| 1 | M | 41.7 | Very low | 40.1 | Very low | 246 Ų | 246 | 149.2 Ų | 149.2 | 100% | 1.212 | 77% | 0.77 | S | S | * | * | | | | 0 | 123.4 | 0 | -72.4 | -169.3 | -68.3 | 0 | 0 | 107.8 | | |
| 2 | I | 42 | Very low | 39.7 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | -83.9 | 141.5 | -177.7 | -62.8 | 157.7 | 0 | 0 | 0 | 108.7 | | |
| 3 | S | 38.8 | Very low | 39.4 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -179.7 | 109.7 | 141.4 | -121.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 4 | C | 41.9 | Very low | 39.4 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | | 60.2 | 106.4 | 63.6 | -64.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 5 | A | 43.3 | Very low | 39 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | 176.1 | 121 | 136.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 6 | E | 42.7 | Very low | 38.9 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | | 60.8 | 136.9 | 85.8 | -103.5 | -175.4 | 127.9 | 0 | 0 | 112.8 | | |
| 7 | Q | 40.2 | Very low | 38.8 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 59% | 0.593 | 78% | 0.783 | S | S | * | * | | | cis | -178.3 | 158.1 | 9.8 | -148.2 | 174.6 | 16.9 | 0 | 0 | 107.3 | | |
| 8 | R | 38.1 | Very low | 39.3 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 66 | 158.2 | 148 | -82.6 | 156.3 | 174.7 | -97 | -3.2 | 118.6 | | |
| 9 | S | 36.1 | Very low | 39.3 | Very low | 82 Ų | 82 | 138.5 Ų | 138.5 | 57% | 0.573 | 79% | 0.789 | S | S | * | * | | | cis | 170.6 | 152.2 | -16.7 | -176 | 0 | 0 | 0 | 0 | 107.2 | | |
| 10 | R | 39.2 | Very low | 39.8 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 70% | 0.698 | 79% | 0.79 | S | S | * | * | | | trans | 87.1 | 126.5 | 148.6 | -81.8 | 157.9 | -167.3 | -89 | 1.7 | 121.4 | | |
| 11 | Q | 36.8 | Very low | 39.7 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | 66.5 | 127.4 | 131.7 | -69.5 | 173.3 | 11.6 | 0 | 0 | 116.3 | | |
| 12 | G | 35.5 | Very low | 39.6 | Very low | 73 Ų | 73 | 130.5 Ų | 130.5 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | cis | 102.5 | 103.6 | 29 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 13 | E | 36.4 | Very low | 39.9 | Very low | 203 Ų | 203 | 129.8 Ų | 129.8 | 95% | 0.949 | 78% | 0.776 | S | S | * | * | | | trans | -157.9 | 133.8 | 162.1 | -125.8 | 175 | 153.4 | 0 | 0 | 112.2 | | |
| 14 | A | 38.9 | Very low | 39.8 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | trans | -99.4 | 160.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 15 | G | 33.9 | Very low | 39.5 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | 160.7 | 111.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 16 | R | 37.6 | Very low | 39.1 | Very low | 245 Ų | 245 | 136.5 Ų | 136.5 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | 72.1 | 121.6 | 137.8 | -75.8 | -175.3 | 177.1 | -90.2 | 0.7 | 121.2 | | |
| 17 | G | 36.3 | Very low | 39.6 | Very low | 60 Ų | 60 | 134.3 Ų | 134.3 | 62% | 0.619 | 79% | 0.785 | S | S | * | * | | | trans | -86.3 | -177.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 18 | P | 48.6 | Very low | 39.3 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -140.5 | 172.9 | 130.5 | 32.8 | -14.9 | 0 | 0 | 0 | 114.9 | | |
| 19 | A | 38.7 | Very low | 39.2 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | | | trans | -90.6 | -176.8 | -163.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 20 | P | 48.8 | Very low | 39.3 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | | | trans | -98.4 | 165.5 | -164.2 | 39.3 | -33.5 | 0 | 0 | 0 | 115.1 | | |
| 21 | V | 38.8 | Very low | 39.7 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 89% | 0.885 | 83% | 0.825 | S | S | * | * | | | trans | -132.3 | 132.4 | 176.8 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 22 | A | 39.2 | Very low | 39.6 | Very low | 87 Ų | 87 | 146.6 Ų | 146.6 | 72% | 0.719 | 83% | 0.833 | S | S | * | * | | | trans | -98.2 | 168.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 23 | P | 48.7 | Very low | 39.6 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 90% | 0.896 | 83% | 0.829 | S | S | * | * | | | trans | -142.2 | 167.8 | 134.4 | 34 | -16.8 | 0 | 0 | 0 | 115.7 | | |
| 24 | A | 35.9 | Very low | 39.5 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | | | trans | -96.6 | 154.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 25 | F | 36.1 | Very low | 39.5 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 87% | 0.873 | 82% | 0.824 | S | S | * | * | | | trans | 16.7 | 136.6 | 151 | -70.3 | -87.9 | 0 | 0 | 0 | 123 | | |
| 26 | L | 35.4 | Very low | 39.7 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | | | | -153.5 | 145 | 123.9 | -87.9 | -177.8 | 0 | 0 | 0 | 111.5 | | |
| 27 | P | 52.6 | Low | 40.2 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | | | trans | -99.4 | 151 | 179.8 | 37.5 | -29.9 | 0 | 0 | 0 | 112.1 | | |
| 28 | R | 34.7 | Very low | 40.6 | Very low | 250 Ų | 250 | 144.6 Ų | 144.6 | 94% | 0.943 | 83% | 0.834 | S | S | * | * | | | trans | -152.1 | 138.4 | 165.4 | -155.9 | 162 | 155.3 | 159.9 | -7 | 113.4 | | |
| 29 | W | 34.6 | Very low | 40.4 | Very low | 244 Ų | 244 | 143.2 Ų | 143.2 | 92% | 0.924 | 83% | 0.827 | S | S | * | * | | | trans | -64.4 | 156.4 | -166.5 | -73.8 | 11 | 0 | 0 | 0 | 117.9 | | |
| 30 | L | 39.3 | Very low | 40.7 | Very low | 159 Ų | 159 | 145 Ų | 145 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | | | trans | -63.4 | 159.8 | 157.1 | -75.3 | 151.7 | 0 | 0 | 0 | 112.5 | | |
| 31 | P | 46.3 | Very low | 40.7 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | | | | -138.6 | 127.5 | 109.7 | 32.8 | -17.8 | 0 | 0 | 0 | 111.9 | | |
| 32 | R | 36.1 | Very low | 40.7 | Very low | 247 Ų | 247 | 142.4 Ų | 142.4 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | | | | 61.9 | 107.5 | 93.2 | -161.7 | 179.6 | -168.4 | -167.6 | 3.1 | 114.2 | | |
| 33 | G | 34.7 | Very low | 40.8 | Very low | 65 Ų | 65 | 144.3 Ų | 144.3 | 67% | 0.67 | 83% | 0.825 | S | S | * | * | | | trans | 147.8 | 117 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 34 | C | 33.4 | Very low | 40.6 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | 89.9 | 91.4 | 144.3 | -55.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 35 | S | 40 | Very low | 41.1 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | | 56.7 | 114.2 | 119.2 | -41.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 36 | G | 39 | Very low | 41.5 | Very low | 79 Ų | 79 | 144.2 Ų | 144.2 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | | | trans | 173.8 | 82.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L38 | G36-L38 PolarHBondContact O-N 3.11Š|
| 37 | I | 47.5 | Very low | 42 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | | | trans | -54.3 | 124.2 | 179.3 | -57.5 | 145.2 | 0 | 0 | 0 | 110.8 | | |
| 38 | L | 44.6 | Very low | 41.7 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | | | trans | -146.8 | 109.4 | 142.2 | -77.9 | -175.6 | 0 | 0 | 0 | 109.5 | G36 V40 | G36-L38 PolarHBondContact O-N 3.11Å; L38-V40 PolarHBondContact O-N 3.38Å |
| 39 | S | 44.4 | Very low | 41.9 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -53.9 | 126.2 | 176.4 | -58 | 0 | 0 | 0 | 0 | 112.6 | | |
| 40 | V | 44.8 | Very low | 42.7 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -112.9 | 123 | 157 | -178.9 | 0 | 0 | 0 | 0 | 106.4 | L38 A42 | L38-V40 PolarHBondContact O-N 3.38Å; V40-A42 PolarHBondContact O-N 3.24Å; V40-A42 VanDerWaalsContact O-N 3.15Å |
| 41 | P | 49.1 | Very low | 43.1 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | | | trans | -70.4 | 115.4 | 178.3 | 27.1 | -30 | 0 | 0 | 0 | 109.1 | V43 | P41-V43 PolarHBondContact O-N 3.45Å; P41-V43 VanDerWaalsContact O-N 3.13Å |
| 42 | A | 38.3 | Very low | 43 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -61.8 | 110.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | V40 A44 | V40-A42 PolarHBondContact O-N 3.24Å; V40-A42 VanDerWaalsContact O-N 3.15Å; A42-A44 PolarHBondContact O-N 3.25Å; A42-A44 VanDerWaalsContact O-N 3.14Å |
| 43 | V | 41.8 | Very low | 43.7 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | trans | -62.2 | 113.7 | 165.7 | 172.7 | 0 | 0 | 0 | 0 | 106.9 | P41 M45 | P41-V43 PolarHBondContact O-N 3.45Å; P41-V43 VanDerWaalsContact O-N 3.13Å; V43-M45 PolarHBondContact O-N 3.3Å; V43-M45 VanDerWaalsContact O-N 3.1Å |
| 44 | A | 43.3 | Very low | 44.6 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 60% | 0.603 | 79% | 0.791 | S | S | * | * | | | trans | -55.3 | 114.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | A42 H46 | A42-A44 PolarHBondContact O-N 3.25Å; A42-A44 VanDerWaalsContact O-N 3.14Å; A44-H46 PolarHBondContact O-N 3.4Å |
| 45 | M | 46.3 | Very low | 45.6 | Very low | 178 Ų | 178 | 123.3 Ų | 123.3 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | trans | -57.1 | 107.3 | 167.2 | -74.4 | -76.3 | -77 | 0 | 0 | 107.4 | V43 S47 | V43-M45 PolarHBondContact O-N 3.3Å; V43-M45 VanDerWaalsContact O-N 3.1Å; M45-S47 PolarHBondContact O-N 3.21Å |
| 46 | H | 46.2 | Very low | 46.5 | Very low | 172 Ų | 172 | 123 Ų | 123 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -58.9 | 112.7 | 170.6 | -63.1 | -65.4 | 0 | 0 | 0 | 108.1 | A44 A48 | A44-H46 PolarHBondContact O-N 3.4Å; H46-A48 PolarHBondContact O-N 3.17Å |
| 47 | S | 44.7 | Very low | 47.6 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -47.7 | 122 | 167.4 | -38.8 | 0 | 0 | 0 | 0 | 108.6 | M45 G49 | M45-S47 PolarHBondContact O-N 3.21Å; S47-G49 PolarHBondContact O-N 3.03Å |
| 48 | A | 47.6 | Very low | 48.9 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | | | trans | -53 | 115.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | H46 | H46-A48 PolarHBondContact O-N 3.17Š|
| 49 | G | 38.2 | Very low | 50.9 | Low | 62 Ų | 62 | 121.4 Ų | 121.4 | 64% | 0.639 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 157.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S47 A51 | S47-G49 PolarHBondContact O-N 3.03Å; G49-A51 PolarHBondContact O-N 2.86Å |
| 50 | P | 50.6 | Low | 52.9 | Low | 128 Ų | 128 | 123.2 Ų | 123.2 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 134.6 | -159 | 27.7 | -33.9 | 0 | 0 | 0 | 111.3 | R52 | P50-R52 PolarHBondContact O-N 3.22Å; P50-R52 VanDerWaalsContact O-N 3.13Å |
| 51 | A | 47.7 | Very low | 55 | Low | 98 Ų | 98 | 122.1 Ų | 122.1 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 122.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | G49 A53 | G49-A51 PolarHBondContact O-N 2.86Å; A51-A53 PolarHBondContact O-N 3.04Å |
| 52 | R | 45.1 | Very low | 57.1 | Low | 224 Ų | 224 | 121.3 Ų | 121.3 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | | | trans | -49.1 | 110.8 | 172 | -164 | -174.7 | -165.9 | -164.7 | 4.2 | 107.1 | P50 E54 | P50-R52 PolarHBondContact O-N 3.22Å; P50-R52 VanDerWaalsContact O-N 3.13Å; R52-E54 PolarHBondContact O-N 3.36Å |
| 53 | A | 49.6 | Very low | 59.8 | Low | 99 Ų | 99 | 120.3 Ų | 120.3 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | | | trans | -67.9 | 80 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | A51 S55 | A51-A53 PolarHBondContact O-N 3.04Å; A53-S55 PolarHBondContact O-N 3.23Å |
| 54 | E | 53.8 | Low | 62.3 | Low | 136 Ų | 136 | 116.1 Ų | 116.1 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | | | trans | -53.2 | 119.6 | 141.4 | -67 | -175.1 | 179.4 | 0 | 0 | 104.9 | R52 P56 | R52-E54 PolarHBondContact O-N 3.36Å; E54-P56 WeakPolarHBondContact O-CD 3.4Å |
| 55 | S | 54.9 | Low | 64.7 | Low | 90 Ų | 90 | 117.6 Ų | 117.6 | 63% | 0.629 | 66% | 0.661 | S | S | * | * | | | trans | -41 | 118.5 | 163.8 | 166.2 | 0 | 0 | 0 | 0 | 106.8 | A53 M57 | A53-S55 PolarHBondContact O-N 3.23Å; S55-M57 PolarHBondContact O-N 2.97Å |
| 56 | P | 58.4 | Low | 67.1 | Low | 118 Ų | 118 | 113.7 Ų | 113.7 | 77% | 0.766 | 64% | 0.643 | S | S | * | * | | | trans | -72.3 | 80.4 | 176.8 | 30.3 | -32.4 | 0 | 0 | 0 | 106 | E54 S58 | E54-P56 WeakPolarHBondContact O-CD 3.4Å; P56-S58 PolarHBondContact O-N 3.16Å |
| 57 | M | 62 | Low | 69.5 | Low | 96 Ų | 96 | 110.3 Ų | 110.3 | 47% | 0.473 | 63% | 0.631 | S | S | . | * | | | trans | -46 | 119.6 | 152.8 | -72.7 | -178.6 | -178.4 | 0 | 0 | 104.5 | S55 R59 E61 K62 | S55-M57 PolarHBondContact O-N 2.97Å; M57-R59 PolarHBondContact O-N 3.07Å; M57-E61 WeakPolarHBondContact CA-OE2 3.24Å; M57-E61 HydrophobicContact CB-CB 4.25Å; M57-E61 HydrophobicContact CB-CG 4.36Å; M57-E61 WeakPolarHBondContact CB-OE2 3.35Å; M57-E61 HydrophobicContact CG-CG 4.46Å; M57-E61 WeakPolarHBondContact CG-OE2 3.29Å; M57-K62 HydrophobicContact CB-CG 4.04Å |
| 58 | S | 76.4 | Confident | 72 | Confident | 67 Ų | 67 | 112.7 Ų | 112.7 | 47% | 0.469 | 62% | 0.622 | S | S | . | * | | | trans | -49 | 143.6 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 107.5 | P56 Q60 E61 K62 | P56-S58 PolarHBondContact O-N 3.16Å; S58-Q60 PolarHBondContact O-N 2.97Å; S58-Q60 PolarHBondContact OG-N 2.75Å; S58-E61 WeakPolarHBondContact O-CA 3.34Å; S58-E61 WeakPolarHBondContact O-CB 3.37Å; S58-E61 PolarHBondContact O-N 3.14Å; S58-K62 PolarHBondContact O-N 3.34Å |
| 59 | R | 85 | Confident | 74.4 | Confident | 205 Ų | 205 | 116 Ų | 116 | 77% | 0.774 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -46.3 | -37.4 | 176.2 | -177.3 | 177.5 | 176.3 | 178.4 | 0.1 | 111.3 | M57 E61 K62 D63 | M57-R59 PolarHBondContact O-N 3.07Å; R59-E61 PolarHBondContact O-N 2.77Å; R59-K62 PolarHBondContact O-N 3.09Å; R59-D63 VanDerWaalsContact O-CG 3.24Å; R59-D63 PolarHBondContact O-N 2.78Å |
| 60 | Q | 86.3 | Confident | 77.2 | Confident | 151 Ų | 151 | 116.4 Ų | 116.4 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.1 | -37.4 | 174.4 | -171.8 | 177.6 | 10 | 0 | 0 | 114.8 | S58 A64 | S58-Q60 PolarHBondContact O-N 2.97Å; S58-Q60 PolarHBondContact OG-N 2.75Å; Q60-A64 VanDerWaalsContact O-CB 3.31Å; Q60-A64 WeakPolarHBondContact O-CB 3.28Å; Q60-A64 PolarHBondContact O-N 3.18Å |
| 61 | E | 89.8 | Confident | 79.5 | Confident | 108 Ų | 108 | 114.5 Ų | 114.5 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.1 | -36.1 | 178.6 | -174.3 | 177.3 | -169.6 | 0 | 0 | 111.4 | M57 S58 R59 A64 E65 | M57-E61 WeakPolarHBondContact CA-OE2 3.24Å; M57-E61 HydrophobicContact CB-CB 4.25Å; M57-E61 HydrophobicContact CB-CG 4.36Å; M57-E61 WeakPolarHBondContact CB-OE2 3.35Å; M57-E61 HydrophobicContact CG-CG 4.46Å; M57-E61 WeakPolarHBondContact CG-OE2 3.29Å; S58-E61 WeakPolarHBondContact O-CA 3.34Å; S58-E61 WeakPolarHBondContact O-CB 3.37Å; S58-E61 PolarHBondContact O-N 3.14Å; R59-E61 PolarHBondContact O-N 2.77Å; E61-A64 PolarHBondContact O-N 3.48Å; E61-E65 WeakPolarHBondContact O-CB 3.37Å; E61-E65 PolarHBondContact O-N 2.79Å |
| 62 | K | 93.9 | Very high | 81.8 | Confident | 98 Ų | 98 | 112 Ų | 112 | 43% | 0.426 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.7 | -43.5 | 172.9 | -63.1 | -176.6 | -178.9 | -178.2 | 0 | 111.1 | M57 S58 R59 E65 L66 | M57-K62 HydrophobicContact CB-CG 4.04Å; S58-K62 PolarHBondContact O-N 3.34Å; R59-K62 PolarHBondContact O-N 3.09Å; K62-E65 PolarHBondContact O-N 3.45Å; K62-L66 WeakPolarHBondContact O-CG 3.1Å; K62-L66 PolarHBondContact O-N 2.94Å |
| 63 | D | 94.2 | Very high | 84.3 | Confident | 79 Ų | 79 | 105.4 Ų | 105.4 | 42% | 0.422 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.7 | -65.1 | -24.4 | 0 | 0 | 0 | 111 | R59 E65 L66 D67 | R59-D63 VanDerWaalsContact O-CG 3.24Å; R59-D63 PolarHBondContact O-N 2.78Å; D63-E65 VanDerWaalsContact C-N 3.33Å; D63-E65 PolarHBondContact O-N 2.86Å; D63-L66 WeakPolarHBondContact O-CB 3.39Å; D63-L66 PolarHBondContact O-N 3.08Å; D63-D67 PolarHBondContact O-N 3.36Å |
| 64 | A | 94.6 | Very high | 86.6 | Confident | 39 Ų | 39 | 109.1 Ų | 109.1 | 32% | 0.322 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -35.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q60 E61 D67 R68 | Q60-A64 VanDerWaalsContact O-CB 3.31Å; Q60-A64 WeakPolarHBondContact O-CB 3.28Å; Q60-A64 PolarHBondContact O-N 3.18Å; E61-A64 PolarHBondContact O-N 3.48Å; A64-D67 PolarHBondContact O-N 3.24Å; A64-R68 VanDerWaalsContact O-CG 3.31Å; A64-R68 WeakPolarHBondContact O-CG 3.42Å; A64-R68 PolarHBondContact O-N 3.45Å |
| 65 | E | 94 | Very high | 88.7 | Confident | 104 Ų | 104 | 110 Ų | 110 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.6 | -35.3 | 176.2 | -170.8 | 56.3 | -148 | 0 | 0 | 112 | E61 K62 D63 R68 R69 | E61-E65 WeakPolarHBondContact O-CB 3.37Å; E61-E65 PolarHBondContact O-N 2.79Å; K62-E65 PolarHBondContact O-N 3.45Å; D63-E65 VanDerWaalsContact C-N 3.33Å; D63-E65 PolarHBondContact O-N 2.86Å; E65-R68 PolarHBondContact O-N 3.04Å; E65-R68 WeakPolarHBondContact OE2-CD 3.24Å; E65-R68 IonicContact OE2-CZ 2.93Å; E65-R68 IonicContact OE2-NH1 3.96Å; E65-R68 PolarHBondContact OE2-NH1 3.08Å; E65-R68 VanDerWaalsContact OE2-NH1 3.11Å; E65-R69 PolarHBondContact O-N 3.25Å |
| 66 | L | 96.9 | Very high | 90.7 | Very high | 96 Ų | 96 | 112.2 Ų | 112.2 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 171.4 | -69.4 | 177.7 | 0 | 0 | 0 | 111.3 | K62 D63 R68 R69 I70 | K62-L66 WeakPolarHBondContact O-CG 3.1Å; K62-L66 PolarHBondContact O-N 2.94Å; D63-L66 WeakPolarHBondContact O-CB 3.39Å; D63-L66 PolarHBondContact O-N 3.08Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-R68 PolarHBondContact O-N 2.94Å; L66-R69 CarbonylContact O-C 3.54Å; L66-R69 WeakPolarHBondContact O-CB 3.49Å; L66-R69 PolarHBondContact O-N 2.72Å; L66-R69 VanDerWaalsContact O-N 3.12Å; L66-I70 VanDerWaalsContact O-CG1 3.26Å; L66-I70 WeakPolarHBondContact O-CG1 3.4Å; L66-I70 PolarHBondContact O-N 3.01Å |
| 67 | D | 96.8 | Very high | 92.6 | Very high | 100 Ų | 100 | 110.9 Ų | 110.9 | 54% | 0.535 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.5 | -75.7 | -24.5 | 0 | 0 | 0 | 112.1 | D63 A64 R69 I70 V71 | D63-D67 PolarHBondContact O-N 3.36Å; A64-D67 PolarHBondContact O-N 3.24Å; D67-R69 VanDerWaalsContact C-N 3.31Å; D67-R69 PolarHBondContact O-N 2.99Å; D67-I70 PolarHBondContact O-N 2.69Å; D67-V71 WeakPolarHBondContact O-CG2 3.41Å; D67-V71 PolarHBondContact O-N 3.26Å |
| 68 | R | 97.1 | Very high | 94.2 | Very high | 166 Ų | 166 | 111.2 Ų | 111.2 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.9 | -43.3 | 172.8 | -72.2 | 170.3 | -173.4 | 177.5 | 0.7 | 111.7 | A64 E65 L66 V71 A72 | A64-R68 VanDerWaalsContact O-CG 3.31Å; A64-R68 WeakPolarHBondContact O-CG 3.42Å; A64-R68 PolarHBondContact O-N 3.45Å; E65-R68 PolarHBondContact O-N 3.04Å; E65-R68 WeakPolarHBondContact OE2-CD 3.24Å; E65-R68 IonicContact OE2-CZ 2.93Å; E65-R68 IonicContact OE2-NH1 3.96Å; E65-R68 PolarHBondContact OE2-NH1 3.08Å; E65-R68 VanDerWaalsContact OE2-NH1 3.11Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-R68 PolarHBondContact O-N 2.94Å; R68-V71 PolarHBondContact O-N 3.34Å; R68-A72 VanDerWaalsContact O-CB 3.29Å; R68-A72 WeakPolarHBondContact O-CB 3.46Å; R68-A72 PolarHBondContact O-N 2.74Å |
| 69 | R | 97.6 | Very high | 95.2 | Very high | 171 Ų | 171 | 110.7 Ų | 110.7 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.4 | -39.1 | 177.7 | -172.9 | 173.5 | 179.4 | 173.9 | -1 | 112 | E65 L66 D67 A72 L73 | E65-R69 PolarHBondContact O-N 3.25Å; L66-R69 CarbonylContact O-C 3.54Å; L66-R69 WeakPolarHBondContact O-CB 3.49Å; L66-R69 PolarHBondContact O-N 2.72Å; L66-R69 VanDerWaalsContact O-N 3.12Å; D67-R69 VanDerWaalsContact C-N 3.31Å; D67-R69 PolarHBondContact O-N 2.99Å; R69-A72 PolarHBondContact O-N 3.09Å; R69-L73 HydrophobicContact CG-CD1 4.28Å; R69-L73 WeakPolarHBondContact O-CB 3.36Å; R69-L73 WeakPolarHBondContact O-CG 3.5Å; R69-L73 PolarHBondContact O-N 3.04Å |
| 70 | I | 97.3 | Very high | 95.8 | Very high | 71 Ų | 71 | 106.2 Ų | 106.2 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 176.3 | -70.1 | 163.8 | 0 | 0 | 0 | 110.1 | L66 D67 A72 L73 R74 | L66-I70 VanDerWaalsContact O-CG1 3.26Å; L66-I70 WeakPolarHBondContact O-CG1 3.4Å; L66-I70 PolarHBondContact O-N 3.01Å; D67-I70 PolarHBondContact O-N 2.69Å; I70-A72 PolarHBondContact O-N 3.4Å; I70-L73 PolarHBondContact O-N 2.78Å; I70-R74 WeakPolarHBondContact O-CG 3.26Å; I70-R74 PolarHBondContact O-N 3.47Å |
| 71 | V | 97.3 | Very high | 96.3 | Very high | 89 Ų | 89 | 104.2 Ų | 104.2 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | D67 R68 L73 R74 K75 | D67-V71 WeakPolarHBondContact O-CG2 3.41Å; D67-V71 PolarHBondContact O-N 3.26Å; R68-V71 PolarHBondContact O-N 3.34Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 3.38Å; V71-R74 PolarHBondContact O-N 2.66Å; V71-K75 PolarHBondContact O-N 2.72Å |
| 72 | A | 96.4 | Very high | 96.7 | Very high | 45 Ų | 45 | 106.6 Ų | 106.6 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R68 R69 I70 K76 | R68-A72 VanDerWaalsContact O-CB 3.29Å; R68-A72 WeakPolarHBondContact O-CB 3.46Å; R68-A72 PolarHBondContact O-N 2.74Å; R69-A72 PolarHBondContact O-N 3.09Å; I70-A72 PolarHBondContact O-N 3.4Å; A72-K76 WeakPolarHBondContact O-CG 3.38Å; A72-K76 PolarHBondContact O-N 2.88Å |
| 73 | L | 97.6 | Very high | 96.9 | Very high | 86 Ų | 86 | 109.5 Ų | 109.5 | 45% | 0.45 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 175 | -81.3 | 167.5 | 0 | 0 | 0 | 112 | R69 I70 V71 K75 K76 N77 | R69-L73 HydrophobicContact CG-CD1 4.28Å; R69-L73 WeakPolarHBondContact O-CB 3.36Å; R69-L73 WeakPolarHBondContact O-CG 3.5Å; R69-L73 PolarHBondContact O-N 3.04Å; I70-L73 PolarHBondContact O-N 2.78Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 3.38Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.49Å; L73-K76 PolarHBondContact O-N 3.49Å; L73-N77 WeakPolarHBondContact O-CB 3.36Å; L73-N77 VanDerWaalsContact O-CG 3.28Å; L73-N77 PolarHBondContact O-N 2.86Å |
| 74 | R | 97.3 | Very high | 97 | Very high | 177 Ų | 177 | 112.5 Ų | 112.5 | 67% | 0.668 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.6 | -43.7 | 175.3 | -73.6 | 175.3 | 179.5 | 164.9 | 1.4 | 111.6 | I70 V71 N77 Q78 | I70-R74 WeakPolarHBondContact O-CG 3.26Å; I70-R74 PolarHBondContact O-N 3.47Å; V71-R74 PolarHBondContact O-N 2.66Å; R74-N77 PolarHBondContact O-N 2.87Å; R74-Q78 WeakPolarHBondContact O-CB 3.22Å; R74-Q78 PolarHBondContact O-N 2.99Å |
| 75 | K | 97.9 | Very high | 97.2 | Very high | 153 Ų | 153 | 116.5 Ų | 116.5 | 67% | 0.665 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 176.5 | -171.3 | 175.2 | -178.5 | 176.5 | 0 | 112.3 | V71 L73 Q78 A79 | V71-K75 PolarHBondContact O-N 2.72Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.49Å; K75-Q78 PolarHBondContact O-N 3.38Å; K75-A79 PolarHBondContact O-N 2.87Å |
| 76 | K | 98.3 | Very high | 97.3 | Very high | 138 Ų | 138 | 117.1 Ų | 117.1 | 60% | 0.6 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.2 | -44.1 | 174.4 | -75.1 | 176.2 | -179.4 | 178.6 | 0 | 111.7 | A72 L73 Q78 A79 L80 | A72-K76 WeakPolarHBondContact O-CG 3.38Å; A72-K76 PolarHBondContact O-N 2.88Å; L73-K76 PolarHBondContact O-N 3.49Å; K76-Q78 VanDerWaalsContact C-N 3.32Å; K76-Q78 PolarHBondContact O-N 3.22Å; K76-A79 WeakPolarHBondContact O-CB 3.49Å; K76-A79 PolarHBondContact O-N 3.18Å; K76-L80 WeakPolarHBondContact O-CG 3.42Å; K76-L80 PolarHBondContact O-N 3.5Å |
| 77 | N | 96.8 | Very high | 97.2 | Very high | 89 Ų | 89 | 115.8 Ų | 115.8 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.9 | -70.5 | -6.4 | 0 | 0 | 0 | 111.5 | L73 R74 A79 L80 L81 | L73-N77 WeakPolarHBondContact O-CB 3.36Å; L73-N77 VanDerWaalsContact O-CG 3.28Å; L73-N77 PolarHBondContact O-N 2.86Å; R74-N77 PolarHBondContact O-N 2.87Å; N77-A79 PolarHBondContact O-N 3.45Å; N77-L80 WeakPolarHBondContact O-CB 3.45Å; N77-L80 PolarHBondContact O-N 3.42Å; N77-L81 WeakPolarHBondContact O-CG 3.19Å; N77-L81 PolarHBondContact O-N 3.41Å |
| 78 | Q | 97.6 | Very high | 97.2 | Very high | 103 Ų | 103 | 114.1 Ų | 114.1 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 173.1 | -173.1 | -177.7 | 41.1 | 0 | 0 | 111.9 | R74 K75 K76 L80 L81 R82 | R74-Q78 WeakPolarHBondContact O-CB 3.22Å; R74-Q78 PolarHBondContact O-N 2.99Å; K75-Q78 PolarHBondContact O-N 3.38Å; K76-Q78 VanDerWaalsContact C-N 3.32Å; K76-Q78 PolarHBondContact O-N 3.22Å; Q78-L80 VanDerWaalsContact C-N 3.31Å; Q78-L80 PolarHBondContact O-N 3.45Å; Q78-L81 PolarHBondContact O-N 3.36Å; Q78-R82 PolarHBondContact O-N 2.85Å |
| 79 | A | 96.4 | Very high | 97 | Very high | 57 Ų | 57 | 109.3 Ų | 109.3 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K75 K76 N77 R82 R83 | K75-A79 PolarHBondContact O-N 2.87Å; K76-A79 WeakPolarHBondContact O-CB 3.49Å; K76-A79 PolarHBondContact O-N 3.18Å; N77-A79 PolarHBondContact O-N 3.45Å; A79-R82 PolarHBondContact O-N 3.23Å; A79-R83 PolarHBondContact O-N 3.04Å |
| 80 | L | 97.6 | Very high | 96.8 | Very high | 111 Ų | 111 | 105.1 Ų | 105.1 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 174.7 | -71 | 173 | 0 | 0 | 0 | 112.1 | K76 N77 Q78 R83 Y84 | K76-L80 WeakPolarHBondContact O-CG 3.42Å; K76-L80 PolarHBondContact O-N 3.5Å; N77-L80 WeakPolarHBondContact O-CB 3.45Å; N77-L80 PolarHBondContact O-N 3.42Å; Q78-L80 VanDerWaalsContact C-N 3.31Å; Q78-L80 PolarHBondContact O-N 3.45Å; L80-R83 PolarHBondContact O-N 2.87Å; L80-Y84 WeakPolarHBondContact O-CB 3.45Å; L80-Y84 PolarHBondContact O-N 2.92Å |
| 81 | L | 97.2 | Very high | 96.7 | Very high | 108 Ų | 108 | 108.6 Ų | 108.6 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 176.2 | -72.1 | 170.9 | 0 | 0 | 0 | 111.8 | N77 Q78 Y84 Q85 | N77-L81 WeakPolarHBondContact O-CG 3.19Å; N77-L81 PolarHBondContact O-N 3.41Å; Q78-L81 PolarHBondContact O-N 3.36Å; L81-Y84 PolarHBondContact O-N 3.34Å; L81-Q85 WeakPolarHBondContact O-CG 3.21Å; L81-Q85 PolarHBondContact O-N 3.38Å |
| 82 | R | 97.3 | Very high | 96.5 | Very high | 159 Ų | 159 | 109.6 Ų | 109.6 | 60% | 0.6 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -46 | 175.2 | -75.8 | -169.7 | 178.7 | 157.1 | -0 | 112.4 | Q78 A79 Y84 Q85 E86 | Q78-R82 PolarHBondContact O-N 2.85Å; A79-R82 PolarHBondContact O-N 3.23Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 3.37Å; R82-Q85 WeakPolarHBondContact O-CB 3.42Å; R82-Q85 PolarHBondContact O-N 2.81Å; R82-E86 WeakPolarHBondContact O-CB 3.45Å; R82-E86 PolarHBondContact O-N 2.92Å |
| 83 | R | 97.8 | Very high | 96.2 | Very high | 158 Ų | 158 | 112.4 Ų | 112.4 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -37.1 | 176.5 | -174.9 | 176.4 | -178.2 | -94.7 | -3.4 | 111.9 | A79 L80 E86 I87 | A79-R83 PolarHBondContact O-N 3.04Å; L80-R83 PolarHBondContact O-N 2.87Å; R83-E86 PolarHBondContact O-N 3.24Å; R83-I87 HydrophobicContact CG-CD1 3.91Å; R83-I87 HydrophobicContact CG-CG1 4.44Å; R83-I87 WeakPolarHBondContact O-CB 3.42Å; R83-I87 WeakPolarHBondContact O-CD1 3.11Å; R83-I87 WeakPolarHBondContact O-CG1 3.29Å; R83-I87 PolarHBondContact O-N 3.02Å |
| 84 | Y | 97.4 | Very high | 95.7 | Very high | 142 Ų | 142 | 110 Ų | 110 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 175.2 | -178.2 | -97 | 0 | 0 | 0 | 111.2 | L80 L81 R82 I87 Q88 | L80-Y84 WeakPolarHBondContact O-CB 3.45Å; L80-Y84 PolarHBondContact O-N 2.92Å; L81-Y84 PolarHBondContact O-N 3.34Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 3.37Å; Y84-I87 PolarHBondContact O-N 3.28Å; Y84-Q88 HydrophobicContact CD1-CG 4.16Å; Y84-Q88 HydrophobicContact CE1-CG 3.77Å; Y84-Q88 VanDerWaalsContact CZ-NE2 3.31Å; Y84-Q88 WeakPolarHBondContact O-CG 3.4Å; Y84-Q88 PolarHBondContact O-N 2.91Å; Y84-Q88 PolarHBondContact OH-NE2 3.09Å |
| 85 | Q | 97.7 | Very high | 95 | Very high | 124 Ų | 124 | 106.3 Ų | 106.3 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.6 | -44.8 | 175.5 | -70.9 | 168.9 | 3.9 | 0 | 0 | 111.8 | L81 R82 I87 Q88 E89 | L81-Q85 WeakPolarHBondContact O-CG 3.21Å; L81-Q85 PolarHBondContact O-N 3.38Å; R82-Q85 WeakPolarHBondContact O-CB 3.42Å; R82-Q85 PolarHBondContact O-N 2.81Å; Q85-I87 PolarHBondContact O-N 2.81Å; Q85-Q88 PolarHBondContact O-N 3.15Å; Q85-E89 PolarHBondContact O-N 2.95Å |
| 86 | E | 96.1 | Very high | 94.4 | Very high | 116 Ų | 116 | 106.1 Ų | 106.1 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 174.5 | -176.9 | -178.6 | -168.3 | 0 | 0 | 111.4 | R82 R83 Q88 E89 D90 | R82-E86 WeakPolarHBondContact O-CB 3.45Å; R82-E86 PolarHBondContact O-N 2.92Å; R83-E86 PolarHBondContact O-N 3.24Å; E86-Q88 VanDerWaalsContact C-N 3.3Å; E86-Q88 PolarHBondContact O-N 3.13Å; E86-E89 WeakPolarHBondContact O-CB 3.4Å; E86-E89 PolarHBondContact O-N 2.86Å; E86-E89 VanDerWaalsContact O-N 3.1Å; E86-D90 VanDerWaalsContact O-CG 3.31Å; E86-D90 PolarHBondContact O-N 3.02Å |
| 87 | I | 95.4 | Very high | 93.6 | Very high | 69 Ų | 69 | 102.1 Ų | 102.1 | 35% | 0.354 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 176.8 | -69.4 | 164.6 | 0 | 0 | 0 | 111.9 | R83 Y84 Q85 E89 R91 | R83-I87 HydrophobicContact CG-CD1 3.91Å; R83-I87 HydrophobicContact CG-CG1 4.44Å; R83-I87 WeakPolarHBondContact O-CB 3.42Å; R83-I87 WeakPolarHBondContact O-CD1 3.11Å; R83-I87 WeakPolarHBondContact O-CG1 3.29Å; R83-I87 PolarHBondContact O-N 3.02Å; Y84-I87 PolarHBondContact O-N 3.28Å; Q85-I87 PolarHBondContact O-N 2.81Å; I87-E89 VanDerWaalsContact C-N 3.33Å; I87-R91 WeakPolarHBondContact O-CB 3.05Å; I87-R91 PolarHBondContact O-N 2.9Å |
| 88 | Q | 96.3 | Very high | 91.9 | Very high | 64 Ų | 64 | 101.1 Ų | 101.1 | 30% | 0.299 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.1 | -34.5 | 175.8 | -68.5 | -56.1 | -29 | 0 | 0 | 111.9 | Y84 Q85 E86 R92 | Y84-Q88 HydrophobicContact CD1-CG 4.16Å; Y84-Q88 HydrophobicContact CE1-CG 3.77Å; Y84-Q88 VanDerWaalsContact CZ-NE2 3.31Å; Y84-Q88 WeakPolarHBondContact O-CG 3.4Å; Y84-Q88 PolarHBondContact O-N 2.91Å; Y84-Q88 PolarHBondContact OH-NE2 3.09Å; Q85-Q88 PolarHBondContact O-N 3.15Å; E86-Q88 VanDerWaalsContact C-N 3.3Å; E86-Q88 PolarHBondContact O-N 3.13Å; Q88-R92 WeakPolarHBondContact O-CB 3.34Å; Q88-R92 PolarHBondContact O-N 3.48Å |
| 89 | E | 93.6 | Very high | 89.8 | Confident | 65 Ų | 65 | 104 Ų | 104 | 30% | 0.304 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.5 | -51.7 | 174 | -170.7 | 61 | -136.4 | 0 | 0 | 110.7 | Q85 E86 I87 R91 R92 Q93 | Q85-E89 PolarHBondContact O-N 2.95Å; E86-E89 WeakPolarHBondContact O-CB 3.4Å; E86-E89 PolarHBondContact O-N 2.86Å; E86-E89 VanDerWaalsContact O-N 3.1Å; I87-E89 VanDerWaalsContact C-N 3.33Å; E89-R91 PolarHBondContact O-N 3.41Å; E89-R92 WeakPolarHBondContact O-CA 3.47Å; E89-R92 WeakPolarHBondContact O-CB 3.47Å; E89-R92 PolarHBondContact O-N 2.96Å; E89-R92 IonicContact OE1-CZ 3.66Å; E89-R92 IonicContact OE1-NH1 2.9Å; E89-R92 PolarHBondContact OE1-NH1 2.9Å; E89-R92 IonicContact OE2-CZ 3.04Å; E89-R92 IonicContact OE2-NH1 2.67Å; E89-R92 PolarHBondContact OE2-NH1 3.34Å; E89-R92 IonicContact OE2-NH2 2.7Å; E89-R92 PolarHBondContact OE2-NH2 3.19Å; E89-Q93 WeakPolarHBondContact O-CG 3.49Å; E89-Q93 PolarHBondContact O-N 2.83Å; E89-Q93 PolarHBondContact OE1-NE2 2.84Å |
| 90 | D | 93.8 | Very high | 87.6 | Confident | 84 Ų | 84 | 102.6 Ų | 102.6 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 176.6 | -69.4 | -4.7 | 0 | 0 | 0 | 111.4 | E86 Q93 A94 | E86-D90 VanDerWaalsContact O-CG 3.31Å; E86-D90 PolarHBondContact O-N 3.02Å; D90-Q93 PolarHBondContact O-N 2.7Å; D90-A94 VanDerWaalsContact O-CB 3.26Å; D90-A94 WeakPolarHBondContact O-CB 3.22Å; D90-A94 PolarHBondContact O-N 2.67Å |
| 91 | R | 94.2 | Very high | 85.4 | Confident | 144 Ų | 144 | 103.7 Ų | 103.7 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 175 | 178.8 | 178.4 | 177.9 | 166 | 1.6 | 111.1 | I87 E89 Q93 A94 E95 | I87-R91 WeakPolarHBondContact O-CB 3.05Å; I87-R91 PolarHBondContact O-N 2.9Å; E89-R91 PolarHBondContact O-N 3.41Å; R91-Q93 VanDerWaalsContact C-N 3.33Å; R91-A94 PolarHBondContact O-N 2.97Å; R91-E95 WeakPolarHBondContact CG-OE1 3.39Å; R91-E95 IonicContact CZ-OE1 3.64Å; R91-E95 IonicContact NE-OE1 2.85Å; R91-E95 PolarHBondContact NE-OE1 3.31Å; R91-E95 IonicContact NH2-OE1 3.53Å; R91-E95 WeakPolarHBondContact O-CB 3.43Å; R91-E95 VanDerWaalsContact O-CG 3.28Å; R91-E95 WeakPolarHBondContact O-CG 3.45Å; R91-E95 PolarHBondContact O-N 3.19Å |
| 92 | R | 94 | Very high | 83.1 | Confident | 110 Ų | 110 | 104.1 Ų | 104.1 | 42% | 0.415 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.5 | -162.2 | -166.5 | -43.5 | 125.9 | 17.5 | 111.2 | Q88 E89 E95 Q96 | Q88-R92 WeakPolarHBondContact O-CB 3.34Å; Q88-R92 PolarHBondContact O-N 3.48Å; E89-R92 WeakPolarHBondContact O-CA 3.47Å; E89-R92 WeakPolarHBondContact O-CB 3.47Å; E89-R92 PolarHBondContact O-N 2.96Å; E89-R92 IonicContact OE1-CZ 3.66Å; E89-R92 IonicContact OE1-NH1 2.9Å; E89-R92 PolarHBondContact OE1-NH1 2.9Å; E89-R92 IonicContact OE2-CZ 3.04Å; E89-R92 IonicContact OE2-NH1 2.67Å; E89-R92 PolarHBondContact OE2-NH1 3.34Å; E89-R92 IonicContact OE2-NH2 2.7Å; E89-R92 PolarHBondContact OE2-NH2 3.19Å; R92-E95 PolarHBondContact O-N 3.1Å; R92-Q96 WeakPolarHBondContact O-CB 3.4Å; R92-Q96 VanDerWaalsContact O-CG 3.24Å; R92-Q96 WeakPolarHBondContact O-CG 3.34Å; R92-Q96 PolarHBondContact O-N 2.83Å |
| 93 | Q | 90.4 | Very high | 80.8 | Confident | 103 Ų | 103 | 102.1 Ų | 102.1 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 177.1 | -70.3 | -179.6 | 12.1 | 0 | 0 | 111.9 | E89 D90 R91 E95 Q96 G97 | E89-Q93 WeakPolarHBondContact O-CG 3.49Å; E89-Q93 PolarHBondContact O-N 2.83Å; E89-Q93 PolarHBondContact OE1-NE2 2.84Å; D90-Q93 PolarHBondContact O-N 2.7Å; R91-Q93 VanDerWaalsContact C-N 3.33Å; Q93-E95 VanDerWaalsContact C-N 3.35Å; Q93-Q96 PolarHBondContact O-N 2.89Å; Q93-G97 PolarHBondContact O-N 2.92Å |
| 94 | A | 86.2 | Confident | 78.5 | Confident | 35 Ų | 35 | 100.2 Ų | 100.2 | 29% | 0.289 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D90 R91 G98 M99 A100 | D90-A94 VanDerWaalsContact O-CB 3.26Å; D90-A94 WeakPolarHBondContact O-CB 3.22Å; D90-A94 PolarHBondContact O-N 2.67Å; R91-A94 PolarHBondContact O-N 2.97Å; A94-G98 PolarHBondContact O-N 2.88Å; A94-M99 PolarHBondContact O-N 3.48Å; A94-A100 HydrophobicContact CB-CB 4.34Å; A94-A100 PolarHBondContact O-N 2.84Å |
| 95 | E | 84.1 | Confident | 75.9 | Confident | 100 Ų | 100 | 97.4 Ų | 97.4 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 175 | -73.8 | 172.5 | -171.6 | 0 | 0 | 111.4 | R91 R92 Q93 G98 A100 | R91-E95 WeakPolarHBondContact CG-OE1 3.39Å; R91-E95 IonicContact CZ-OE1 3.64Å; R91-E95 IonicContact NE-OE1 2.85Å; R91-E95 PolarHBondContact NE-OE1 3.31Å; R91-E95 IonicContact NH2-OE1 3.53Å; R91-E95 WeakPolarHBondContact O-CB 3.43Å; R91-E95 VanDerWaalsContact O-CG 3.28Å; R91-E95 WeakPolarHBondContact O-CG 3.45Å; R91-E95 PolarHBondContact O-N 3.19Å; R92-E95 PolarHBondContact O-N 3.1Å; Q93-E95 VanDerWaalsContact C-N 3.35Å; E95-G98 PolarHBondContact O-N 3.49Å; E95-A100 HydrophobicContact CB-CB 4.25Å; E95-A100 HydrophobicContact CG-CB 3.59Å |
| 96 | Q | 84.9 | Confident | 73.7 | Confident | 149 Ų | 149 | 100 Ų | 100 | 70% | 0.696 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.7 | -36.5 | 175.6 | -72.7 | 174.7 | 9.4 | 0 | 0 | 112.7 | R92 Q93 G98 | R92-Q96 WeakPolarHBondContact O-CB 3.4Å; R92-Q96 VanDerWaalsContact O-CG 3.24Å; R92-Q96 WeakPolarHBondContact O-CG 3.34Å; R92-Q96 PolarHBondContact O-N 2.83Å; Q93-Q96 PolarHBondContact O-N 2.89Å; Q96-G98 PolarHBondContact O-N 3.39Å |
| 97 | G | 80.2 | Confident | 71.4 | Confident | 55 Ų | 55 | 102.1 Ų | 102.1 | 57% | 0.567 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 2.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q93 M99 | Q93-G97 PolarHBondContact O-N 2.92Å; G97-M99 PolarHBondContact O-N 3.37Å |
| 98 | G | 62 | Low | 69 | Low | 67 Ų | 67 | 107.4 Ų | 107.4 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.2 | 11.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A94 E95 Q96 | A94-G98 PolarHBondContact O-N 2.88Å; E95-G98 PolarHBondContact O-N 3.49Å; Q96-G98 PolarHBondContact O-N 3.39Å |
| 99 | M | 53.9 | Low | 66.8 | Low | 163 Ų | 163 | 109.2 Ų | 109.2 | 80% | 0.803 | 61% | 0.608 | S | S | * | * | | | trans | -93.9 | -12.7 | -179.7 | -66.2 | -159.4 | 75.9 | 0 | 0 | 112.8 | A94 G97 V101 | A94-M99 PolarHBondContact O-N 3.48Å; G97-M99 PolarHBondContact O-N 3.37Å; M99-V101 PolarHBondContact O-N 2.82Å |
| 100 | A | 50.6 | Low | 64.4 | Low | 28 Ų | 28 | 113.2 Ų | 113.2 | 23% | 0.231 | 63% | 0.631 | C | S | . | * | S | Bend | trans | -60.5 | 121.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | A94 E95 T102 | A94-A100 HydrophobicContact CB-CB 4.34Å; A94-A100 PolarHBondContact O-N 2.84Å; E95-A100 HydrophobicContact CB-CB 4.25Å; E95-A100 HydrophobicContact CG-CB 3.59Å; A100-T102 PolarHBondContact O-N 2.83Å |
| 101 | V | 50.8 | Low | 62.6 | Low | 134 Ų | 134 | 112 Ų | 112 | 81% | 0.812 | 64% | 0.638 | S | S | * | * | | | trans | -56.3 | 90 | 166.9 | 178.1 | 0 | 0 | 0 | 0 | 106.3 | M99 T103 | M99-V101 PolarHBondContact O-N 2.82Å; V101-T103 VanDerWaalsContact C-N 3.28Å; V101-T103 PolarHBondContact O-N 2.97Å |
| 102 | T | 47.8 | Very low | 61 | Low | 118 Ų | 118 | 110 Ų | 110 | 72% | 0.724 | 64% | 0.638 | S | S | * | * | | | trans | -54.6 | 106.3 | 159.7 | 28.2 | 0 | 0 | 0 | 0 | 103.5 | A100 P104 | A100-T102 PolarHBondContact O-N 2.83Å; T102-P104 WeakPolarHBondContact O-CD 3.47Å |
| 103 | T | 50.1 | Low | 59.1 | Low | 116 Ų | 116 | 108.8 Ų | 108.8 | 71% | 0.712 | 64% | 0.643 | S | S | * | * | | | trans | -41.8 | 120.3 | 158.8 | 39.1 | 0 | 0 | 0 | 0 | 105.7 | V101 A105 | V101-T103 VanDerWaalsContact C-N 3.28Å; V101-T103 PolarHBondContact O-N 2.97Å; T103-A105 PolarHBondContact O-N 3.42Å |
| 104 | P | 49.5 | Very low | 57.5 | Low | 119 Ų | 119 | 107.3 Ų | 107.3 | 77% | 0.773 | 64% | 0.641 | S | S | * | * | | | trans | -54.4 | 106.2 | -176 | -24.9 | 31.9 | 0 | 0 | 0 | 107.8 | T102 L106 | T102-P104 WeakPolarHBondContact O-CD 3.47Å; P104-L106 PolarHBondContact O-N 2.9Å |
| 105 | A | 43.1 | Very low | 56 | Low | 83 Ų | 83 | 109.5 Ų | 109.5 | 69% | 0.686 | 65% | 0.651 | S | S | * | * | | | trans | -64.2 | 104.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | T103 L107 | T103-A105 PolarHBondContact O-N 3.42Å; A105-L107 PolarHBondContact O-N 2.89Å |
| 106 | L | 50 | Low | 54.5 | Low | 177 Ų | 177 | 110.1 Ų | 110.1 | 93% | 0.927 | 66% | 0.656 | S | S | * | * | | | trans | 15.4 | 66.1 | 159.3 | -89 | 153.9 | 0 | 0 | 0 | 113.9 | P104 R108 | P104-L106 PolarHBondContact O-N 2.9Å; L106-R108 PolarHBondContact O-N 2.72Å; L106-R108 VanDerWaalsContact O-N 3.14Å |
| 107 | L | 47.7 | Very low | 52.9 | Low | 161 Ų | 161 | 106.7 Ų | 106.7 | 84% | 0.843 | 65% | 0.648 | S | S | * | * | | | trans | -71.9 | 116.3 | 167.6 | -74.2 | 179.2 | 0 | 0 | 0 | 105.4 | A105 | A105-L107 PolarHBondContact O-N 2.89Š|
| 108 | R | 46.7 | Very low | 51.7 | Low | 180 Ų | 180 | 112.7 Ų | 112.7 | 68% | 0.679 | 66% | 0.662 | S | S | * | * | | | trans | -24.3 | 130.8 | 163.9 | -87.9 | -59.7 | -31.4 | -177.1 | 9.2 | 111.2 | L106 D110 | L106-R108 PolarHBondContact O-N 2.72Å; L106-R108 VanDerWaalsContact O-N 3.14Å; R108-D110 VanDerWaalsContact C-N 3.26Å; R108-D110 PolarHBondContact O-N 3.03Å |
| 109 | P | 49.6 | Very low | 51.4 | Low | 103 Ų | 103 | 113.9 Ų | 113.9 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | | | trans | -65.9 | 91.5 | 173.5 | 22.9 | -31 | 0 | 0 | 0 | 109.4 | G111 | P109-G111 PolarHBondContact O-N 2.89Š|
| 110 | D | 43.5 | Very low | 50.9 | Low | 148 Ų | 148 | 112.5 Ų | 112.5 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | | | trans | -77.8 | 94.3 | 163.8 | -74.9 | -16.5 | 0 | 0 | 0 | 107.5 | R108 L112 | R108-D110 VanDerWaalsContact C-N 3.26Å; R108-D110 PolarHBondContact O-N 3.03Å; D110-L112 PolarHBondContact O-N 2.71Å |
| 111 | G | 55.8 | Low | 51.2 | Low | 59 Ų | 59 | 115.3 Ų | 115.3 | 61% | 0.608 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 69.8 | 11.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | P109 | P109-G111 PolarHBondContact O-N 2.89Š|
| 112 | L | 60.5 | Low | 51.8 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 54% | 0.539 | 69% | 0.687 | S | S | . | * | | | trans | -104.6 | 86.6 | 171.1 | -167.6 | 70.5 | 0 | 0 | 0 | 111.8 | D110 V114 R128 | D110-L112 PolarHBondContact O-N 2.71Å; L112-V114 HydrophobicContact CD2-CG2 4.49Å; L112-V114 HydrophobicContact CG-CG2 4.2Å; L112-R128 HydrophobicContact CD1-CG 3.89Å |
| 113 | T | 53.9 | Low | 52.4 | Low | 83 Ų | 83 | 120.2 Ų | 120.2 | 51% | 0.509 | 69% | 0.693 | S | S | . | * | | | trans | -93.5 | 105.7 | 168 | 49.6 | 0 | 0 | 0 | 0 | 109.9 | T115 N129 | T113-T115 PolarHBondContact O-N 2.99Å; T113-N129 PolarHBondContact O-OD1 3.32Å; T113-N129 PolarHBondContact OG1-OD1 2.9Å |
| 114 | V | 55.7 | Low | 52.6 | Low | 73 Ų | 73 | 125.1 Ų | 125.1 | 44% | 0.442 | 70% | 0.699 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.5 | 98.2 | 170.6 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | L112 I116 V126 | L112-V114 HydrophobicContact CD2-CG2 4.49Å; L112-V114 HydrophobicContact CG-CG2 4.2Å; V114-I116 HydrophobicContact CG1-CG1 4.33Å; V114-V126 HydrophobicContact CG1-CG1 3.61Å |
| 115 | T | 55.7 | Low | 52.9 | Low | 81 Ų | 81 | 124 Ų | 124 | 50% | 0.497 | 69% | 0.69 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.8 | 118.5 | 175.1 | 46.9 | 0 | 0 | 0 | 0 | 110.2 | T113 S127 | T113-T115 PolarHBondContact O-N 2.99Å; T115-S127 PolarHBondContact OG1-OG 2.9Å |
| 116 | I | 52.6 | Low | 53.1 | Low | 112 Ų | 112 | 125 Ų | 125 | 57% | 0.574 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 96.7 | 175 | -55.4 | 172.8 | 0 | 0 | 0 | 107.6 | V114 Q118 | V114-I116 HydrophobicContact CG1-CG1 4.33Å; I116-Q118 HydrophobicContact CG2-CG 4.29Å; I116-Q118 PolarHBondContact O-N 3.14Å |
| 117 | S | 51.4 | Low | 53.1 | Low | 77 Ų | 77 | 119.1 Ų | 119.1 | 54% | 0.538 | 66% | 0.66 | S | S | . | * | | | trans | -73.2 | 107.6 | 174.7 | 63.1 | 0 | 0 | 0 | 0 | 109.6 | V119 | S117-V119 PolarHBondContact O-N 3.1Š|
| 118 | Q | 53.9 | Low | 53.1 | Low | 181 Ų | 181 | 120.9 Ų | 120.9 | 85% | 0.846 | 66% | 0.656 | S | S | * | * | | | trans | -90.4 | 89.1 | 171.1 | -68.1 | -174 | 75.5 | 0 | 0 | 108.7 | I116 | I116-Q118 HydrophobicContact CG2-CG 4.29Å; I116-Q118 PolarHBondContact O-N 3.14Å |
| 119 | V | 55.8 | Low | 53.3 | Low | 93 Ų | 93 | 116.4 Ų | 116.4 | 56% | 0.564 | 65% | 0.645 | S | S | * | * | | | trans | -103.9 | 124 | 164.9 | -168.9 | 0 | 0 | 0 | 0 | 107.5 | S117 G121 | S117-V119 PolarHBondContact O-N 3.1Å; V119-G121 PolarHBondContact O-N 2.96Å; V119-G121 VanDerWaalsContact O-N 3.11Å |
| 120 | P | 44.7 | Very low | 53.1 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 86% | 0.864 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 113 | -178.8 | -16.3 | 28.9 | 0 | 0 | 0 | 110.5 | | |
| 121 | G | 55.9 | Low | 52.7 | Low | 87 Ų | 87 | 117.4 Ų | 117.4 | 90% | 0.897 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.7 | -9.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | V119 | V119-G121 PolarHBondContact O-N 2.96Å; V119-G121 VanDerWaalsContact O-N 3.11Å |
| 122 | E | 63.7 | Low | 51.8 | Low | 161 Ų | 161 | 123.6 Ų | 123.6 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -118.2 | 153 | -175 | -155.4 | 153.7 | -171.4 | 0 | 0 | 113.1 | R124 | E122-R124 PolarHBondContact O-N 3.26Š|
| 123 | K | 61.4 | Low | 50.4 | Low | 195 Ų | 195 | 121.7 Ų | 121.7 | 85% | 0.848 | 66% | 0.656 | S | S | * | * | | | trans | -64.1 | 133.9 | -176.3 | -66.9 | 179 | -177 | 173.5 | 0 | 109.6 | V125 | K123-V125 PolarHBondContact O-N 3.3Š|
| 124 | R | 53.6 | Low | 49.2 | Very low | 218 Ų | 218 | 124.3 Ų | 124.3 | 82% | 0.823 | 67% | 0.673 | S | S | * | * | | | trans | -59.7 | 107.9 | 178.3 | -70 | -178.7 | -96 | -179.7 | -2.8 | 110 | E122 | E122-R124 PolarHBondContact O-N 3.26Š|
| 125 | V | 55.1 | Low | 48.2 | Very low | 97 Ų | 97 | 127 Ų | 127 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | | | trans | -96.5 | 117.6 | 170.3 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | K123 | K123-V125 PolarHBondContact O-N 3.3Š|
| 126 | V | 47.1 | Very low | 46.8 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 62% | 0.624 | 71% | 0.705 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 99.8 | 170.6 | -179.7 | 0 | 0 | 0 | 0 | 106 | V114 | V114-V126 HydrophobicContact CG1-CG1 3.61Å |
| 127 | S | 50.5 | Low | 46.2 | Very low | 53 Ų | 53 | 127.5 Ų | 127.5 | 37% | 0.371 | 72% | 0.718 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.9 | 132.2 | 174.3 | 55.2 | 0 | 0 | 0 | 0 | 109.9 | T115 | T115-S127 PolarHBondContact OG1-OG 2.9Å |
| 128 | R | 47.4 | Very low | 45.2 | Very low | 198 Ų | 198 | 127.3 Ų | 127.3 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.7 | 107.6 | 169.1 | -174 | 179 | -164.4 | -174.3 | 3.6 | 107 | L112 | L112-R128 HydrophobicContact CD1-CG 3.89Å |
| 129 | N | 50.9 | Low | 44.2 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 46% | 0.46 | 73% | 0.725 | S | S | . | * | | | trans | -94.3 | 113.3 | 173.2 | 57 | -17.1 | 0 | 0 | 0 | 109.4 | T113 | T113-N129 PolarHBondContact O-OD1 3.32Å; T113-N129 PolarHBondContact OG1-OD1 2.9Å |
| 130 | W | 45 | Very low | 43 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 66% | 0.659 | 73% | 0.734 | S | S | * | * | | | trans | -84.2 | 124.5 | 161.9 | 55 | -80.7 | 0 | 0 | 0 | 106.7 | R132 | W130-R132 HydrophobicContact CE3-CB 4.02Å; W130-R132 HydrophobicContact CH2-CB 4.08Å; W130-R132 HydrophobicContact CH2-CG 4.11Å; W130-R132 VanDerWaalsContact CZ3-CA 3.47Å; W130-R132 HydrophobicContact CZ3-CB 3.49Å; W130-R132 VanDerWaalsContact CZ3-CB 3.49Å; W130-R132 HydrophobicContact CZ3-CG 3.71Å; W130-R132 PolarHBondContact O-N 3Å; W130-R132 VanDerWaalsContact O-N 3.16Å |
| 131 | A | 36.6 | Very low | 42.4 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | | | trans | -65.6 | 116.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | G133 | A131-G133 PolarHBondContact O-N 3.47Š|
| 132 | R | 36.1 | Very low | 41.5 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | | | trans | -63 | 101.5 | 173.2 | -179.4 | -176.5 | -63 | -101.2 | 1.4 | 108.1 | W130 T134 | W130-R132 HydrophobicContact CE3-CB 4.02Å; W130-R132 HydrophobicContact CH2-CB 4.08Å; W130-R132 HydrophobicContact CH2-CG 4.11Å; W130-R132 VanDerWaalsContact CZ3-CA 3.47Å; W130-R132 HydrophobicContact CZ3-CB 3.49Å; W130-R132 VanDerWaalsContact CZ3-CB 3.49Å; W130-R132 HydrophobicContact CZ3-CG 3.71Å; W130-R132 PolarHBondContact O-N 3Å; W130-R132 VanDerWaalsContact O-N 3.16Å; R132-T134 PolarHBondContact O-N 3.26Å |
| 133 | G | 30.7 | Very low | 40.4 | Very low | 64 Ų | 64 | 130.7 Ų | 130.7 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | | | trans | -55.4 | 128.2 | 161 | 0 | 0 | 0 | 0 | 0 | 108.4 | A131 C135 | A131-G133 PolarHBondContact O-N 3.47Å; G133-C135 PolarHBondContact O-N 2.96Å |
| 134 | T | 30.3 | Very low | 39.3 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 85% | 0.847 | 73% | 0.727 | S | S | * | * | | | trans | -64.1 | 109.6 | 179.7 | 43.6 | 0 | 0 | 0 | 0 | 110.6 | R132 | R132-T134 PolarHBondContact O-N 3.26Š|
| 135 | C | 33.8 | Very low | 38.7 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 88% | 0.878 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 121.3 | 152.6 | -77 | 0 | 0 | 0 | 0 | 108 | G133 | G133-C135 PolarHBondContact O-N 2.96Š|
| 136 | G | 26.7 | Very low | 37.8 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 135.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 137 | P | 40.7 | Very low | 37.9 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 84% | 0.844 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 142 | 177.1 | 12.7 | 5.4 | 0 | 0 | 0 | 114.1 | | |
| 138 | G | 28.8 | Very low | 37.6 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | | | trans | 89.5 | 137.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 139 | V | 33 | Very low | 37.6 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | cis | -170.8 | 134.3 | 45.4 | 149.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 140 | T | 31.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | 55.3 | 112.3 | 151.8 | 62.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 141 | N | 31.5 | Very low | 37.7 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | | 73 | 94 | 75 | -161 | 17.8 | 0 | 0 | 0 | 113.9 | | |
| 142 | E | 38.5 | Very low | 37.7 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 94% | 0.944 | 77% | 0.774 | S | S | * | * | | | trans | -133.9 | 114.8 | 142.4 | -98.2 | -172.3 | 143.1 | 0 | 0 | 107.2 | | |
| 143 | M | 39 | Very low | 37.8 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | | | trans | -73.7 | 137.6 | 172.6 | -66 | 177.8 | 61.7 | 0 | 0 | 110 | | |
| 144 | L | 39.2 | Very low | 38 | Very low | 168 Ų | 168 | 129.7 Ų | 129.7 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | | | | -154.6 | 136.1 | 129.4 | -155.4 | 76 | 0 | 0 | 0 | 109.6 | | |
| 145 | E | 40.8 | Very low | 38.5 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | trans | -71.5 | 144 | -172.8 | -61.3 | 153.5 | 160.7 | 0 | 0 | 111.9 | | |
| 146 | D | 36.2 | Very low | 38.4 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | | | trans | -148.3 | 132.7 | 134.7 | -157.2 | 30.4 | 0 | 0 | 0 | 107.8 | | |
| 147 | E | 49.8 | Very low | 39.3 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | -83.2 | 169.6 | -169.2 | -62 | -107.9 | 119.2 | 0 | 0 | 111.4 | | |
| 148 | D | 44.7 | Very low | 40 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | 85.9 | 73.9 | 169.9 | -51 | -34.9 | 0 | 0 | 0 | 118 | | |
| 149 | A | 46.8 | Very low | 40.8 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | | | trans | -156.4 | 65.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 150 | E | 48.5 | Very low | 41.8 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | | | trans | -56.2 | 135.2 | 170.3 | -84.4 | 70.7 | -171.8 | 0 | 0 | 112.7 | | |
| 151 | D | 48.3 | Very low | 43 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | | | trans | 55 | 123.9 | 155.2 | -64.9 | -26.8 | 0 | 0 | 0 | 116.1 | | |
| 152 | H | 37.8 | Very low | 44.2 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | | -154.5 | 80.7 | 52 | -67.6 | 53.7 | 0 | 0 | 0 | 107.9 | G154 | H152-G154 PolarHBondContact O-N 2.98Š|
| 153 | G | 38.3 | Very low | 45.7 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | trans | -68 | 85.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | T155 | G153-T155 VanDerWaalsContact C-N 3.28Å; G153-T155 PolarHBondContact O-N 3.5Å |
| 154 | G | 34.5 | Very low | 47.2 | Very low | 54 Ų | 54 | 131.7 Ų | 131.7 | 56% | 0.557 | 74% | 0.735 | S | S | * | * | | | trans | -57.6 | 89.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | H152 F156 | H152-G154 PolarHBondContact O-N 2.98Å; G154-F156 VanDerWaalsContact O-CD2 3.29Å; G154-F156 WeakPolarHBondContact O-CD2 3.27Å; G154-F156 PolarHBondContact O-N 3.02Å |
| 155 | T | 40.2 | Very low | 48.5 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | | | trans | -65.3 | 90.7 | 162.8 | 48 | 0 | 0 | 0 | 0 | 106.1 | G153 C157 | G153-T155 VanDerWaalsContact C-N 3.28Å; G153-T155 PolarHBondContact O-N 3.5Å; T155-C157 PolarHBondContact O-N 3.2Å |
| 156 | F | 33 | Very low | 49.5 | Very low | 194 Ų | 194 | 121.8 Ų | 121.8 | 85% | 0.851 | 69% | 0.693 | S | S | * | * | | | trans | -56.6 | 112.7 | 164.5 | -64.9 | -83.4 | 0 | 0 | 0 | 106.3 | G154 L158 | G154-F156 VanDerWaalsContact O-CD2 3.29Å; G154-F156 WeakPolarHBondContact O-CD2 3.27Å; G154-F156 PolarHBondContact O-N 3.02Å; F156-L158 PolarHBondContact O-N 3.47Å |
| 157 | C | 43.8 | Very low | 50.8 | Low | 123 Ų | 123 | 117.5 Ų | 117.5 | 83% | 0.831 | 67% | 0.673 | S | S | * | * | | | trans | -48.7 | 120.3 | 173.9 | -61.4 | 0 | 0 | 0 | 0 | 107.6 | T155 G159 | T155-C157 PolarHBondContact O-N 3.2Å; C157-G159 VanDerWaalsContact C-N 3.29Å; C157-G159 PolarHBondContact O-N 3.41Å |
| 158 | L | 55.3 | Low | 51.3 | Low | 175 Ų | 175 | 115.4 Ų | 115.4 | 92% | 0.916 | 66% | 0.664 | S | S | * | * | | | trans | -54.2 | 99.7 | 170.4 | -123.7 | 78.5 | 0 | 0 | 0 | 106.5 | F156 E160 | F156-L158 PolarHBondContact O-N 3.47Å; L158-E160 PolarHBondContact O-N 2.86Å |
| 159 | G | 46.3 | Very low | 51.9 | Low | 60 Ų | 60 | 112.2 Ų | 112.2 | 62% | 0.619 | 65% | 0.645 | S | S | * | * | | | trans | -58.1 | 134 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | C157 L161 | C157-G159 VanDerWaalsContact C-N 3.29Å; C157-G159 PolarHBondContact O-N 3.41Å; G159-L161 PolarHBondContact O-N 2.97Å |
| 160 | E | 54.5 | Low | 52.5 | Low | 185 Ų | 185 | 112 Ų | 112 | 86% | 0.864 | 63% | 0.63 | S | S | * | * | | | trans | -57.6 | 108.6 | 177.1 | -163.7 | 171.1 | -170.1 | 0 | 0 | 108.9 | L158 V162 | L158-E160 PolarHBondContact O-N 2.86Å; E160-V162 PolarHBondContact O-N 3.41Å |
| 161 | L | 55.9 | Low | 53 | Low | 151 Ų | 151 | 115.1 Ų | 115.1 | 79% | 0.791 | 64% | 0.641 | S | S | * | * | | | trans | -74.1 | 100 | -179.8 | -76.4 | 173.4 | 0 | 0 | 0 | 109.1 | G159 | G159-L161 PolarHBondContact O-N 2.97Š|
| 162 | V | 56.1 | Low | 53.4 | Low | 62 Ų | 62 | 113.7 Ų | 113.7 | 38% | 0.376 | 65% | 0.648 | S | S | . | * | | | trans | -77.1 | 122 | 171.9 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | E160 L164 E180 | E160-V162 PolarHBondContact O-N 3.41Å; V162-L164 HydrophobicContact CG1-CD2 4.2Å; V162-L164 HydrophobicContact CG1-CG 4.41Å; V162-L164 PolarHBondContact O-N 2.84Å; V162-E180 HydrophobicContact CG1-CB 4.06Å; V162-E180 HydrophobicContact CG1-CG 3.42Å; V162-E180 VanDerWaalsContact CG1-CG 3.42Å; V162-E180 WeakPolarHBondContact CG1-OE1 3.39Å; V162-E180 WeakPolarHBondContact CG2-OE1 3.47Å |
| 163 | E | 69.6 | Low | 54.5 | Low | 133 Ų | 133 | 109.4 Ų | 109.4 | 62% | 0.621 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 110.2 | 173 | -166.3 | -178.2 | 167.4 | 0 | 0 | 110.2 | K181 | E163-K181 PolarHBondContact O-N 3.39Å; E163-K181 VanDerWaalsContact O-N 3.08Å |
| 164 | L | 71.9 | Confident | 55.3 | Low | 102 Ų | 102 | 110.6 Ų | 110.6 | 53% | 0.534 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88 | 112 | 176 | -64.7 | 168.3 | 0 | 0 | 0 | 110 | V162 V166 V178 E180 | V162-L164 HydrophobicContact CG1-CD2 4.2Å; V162-L164 HydrophobicContact CG1-CG 4.41Å; V162-L164 PolarHBondContact O-N 2.84Å; L164-V166 PolarHBondContact O-N 3.41Å; L164-V178 HydrophobicContact CB-CG1 4.23Å; L164-V178 HydrophobicContact CD1-CG1 4.48Å; L164-V178 HydrophobicContact CD2-CG1 3.86Å; L164-V178 HydrophobicContact CG-CG1 4.42Å; L164-E180 HydrophobicContact CD2-CB 3.88Å |
| 165 | A | 65.4 | Low | 56.5 | Low | 17 Ų | 17 | 114 Ų | 114 | 14% | 0.14 | 63% | 0.631 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.7 | 109.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | T167 S179 K181 | A165-T167 PolarHBondContact O-N 3.31Å; A165-S179 PolarHBondContact N-O 3.33Å; A165-S179 PolarHBondContact O-N 3.21Å; A165-S179 VanDerWaalsContact O-N 3.08Å; A165-S179 PolarHBondContact O-OG 2.87Å; A165-K181 HydrophobicContact CB-CD 4.01Å; A165-K181 HydrophobicContact CB-CG 4.45Å |
| 166 | V | 62.3 | Low | 57.6 | Low | 89 Ų | 89 | 117.3 Ų | 117.3 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 97.2 | 172.1 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | L164 V178 | L164-V166 PolarHBondContact O-N 3.41Å; V166-V178 HydrophobicContact CG2-CG2 4.37Å |
| 167 | T | 63.7 | Low | 59.1 | Low | 77 Ų | 77 | 111.8 Ų | 111.8 | 47% | 0.472 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 119.3 | 172.2 | 51.6 | 0 | 0 | 0 | 0 | 109.2 | A165 E169 I177 | A165-T167 PolarHBondContact O-N 3.31Å; T167-E169 PolarHBondContact O-N 2.88Å; T167-I177 PolarHBondContact N-O 2.86Å |
| 168 | M | 61.4 | Low | 59.8 | Low | 106 Ų | 106 | 110.1 Ų | 110.1 | 52% | 0.522 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.1 | 98.6 | 163.6 | -67.8 | -66.6 | -44.1 | 0 | 0 | 107.2 | R176 | M168-R176 HydrophobicContact CE-CG 4.28Å; M168-R176 HydrophobicContact SD-CG 3.71Å |
| 169 | E | 56.1 | Low | 60.1 | Low | 75 Ų | 75 | 104 Ų | 104 | 35% | 0.35 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 128.1 | 167.7 | 62.7 | 178.9 | -165.8 | 0 | 0 | 108.4 | T167 I177 | T167-E169 PolarHBondContact O-N 2.88Å; E169-I177 HydrophobicContact CG-CD1 4.3Å; E169-I177 HydrophobicContact CG-CG1 4.49Å; E169-I177 WeakPolarHBondContact OE1-CD1 3.42Å; E169-I177 VanDerWaalsContact OE2-CD1 3.24Å; E169-I177 WeakPolarHBondContact OE2-CD1 3.24Å |
| 170 | N | 59.7 | Low | 60.8 | Low | 95 Ų | 95 | 107 Ų | 107 | 51% | 0.508 | 56% | 0.563 | S | S | . | * | | | trans | 49.2 | 103.8 | 167.8 | -48.2 | -17.7 | 0 | 0 | 0 | 115.9 | A172 E173 | N170-A172 PolarHBondContact O-N 3.19Å; N170-E173 HydrophobicContact CB-CG 3.69Å; N170-E173 PolarHBondContact ND2-OE1 2.82Å; N170-E173 CarbonylContact O-C 3.6Å; N170-E173 PolarHBondContact O-N 3.47Å; N170-E173 VanDerWaalsContact O-O 3.1Å |
| 171 | K | 59.3 | Low | 61.1 | Low | 208 Ų | 208 | 103.7 Ų | 103.7 | 90% | 0.904 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -11.1 | 176.9 | -66.2 | -175 | 177.1 | 179.2 | 0 | 115.7 | | |
| 172 | A | 57.4 | Low | 60.3 | Low | 104 Ų | 104 | 101.2 Ų | 101.2 | 86% | 0.86 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -23.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N170 | N170-A172 PolarHBondContact O-N 3.19Š|
| 173 | E | 60.2 | Low | 59.5 | Low | 89 Ų | 89 | 104.5 Ų | 104.5 | 42% | 0.416 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -128.1 | 98.4 | -178.5 | 41.9 | -170.6 | 156.6 | 0 | 0 | 107.3 | N170 K175 | N170-E173 HydrophobicContact CB-CG 3.69Å; N170-E173 PolarHBondContact ND2-OE1 2.82Å; N170-E173 CarbonylContact O-C 3.6Å; N170-E173 PolarHBondContact O-N 3.47Å; N170-E173 VanDerWaalsContact O-O 3.1Å; E173-K175 PolarHBondContact O-N 3.33Å |
| 174 | A | 54.9 | Low | 58.2 | Low | 97 Ų | 97 | 109 Ų | 109 | 80% | 0.802 | 56% | 0.564 | S | S | * | * | | | trans | -68.4 | 59.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 175 | K | 58.9 | Low | 56.4 | Low | 127 Ų | 127 | 107.7 Ų | 107.7 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.6 | 175.6 | -64.5 | 177.7 | -175.8 | 166.6 | 0 | 108.8 | E173 | E173-K175 PolarHBondContact O-N 3.33Å |
| 176 | R | 64.6 | Low | 55 | Low | 195 Ų | 195 | 116.9 Ų | 116.9 | 74% | 0.736 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.2 | 177.4 | -61 | -175.7 | 178.7 | 167.1 | 0.7 | 107.1 | M168 | M168-R176 HydrophobicContact CE-CG 4.28Å; M168-R176 HydrophobicContact SD-CG 3.71Å |
| 177 | I | 63.4 | Low | 53.8 | Low | 77 Ų | 77 | 119.8 Ų | 119.8 | 40% | 0.395 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.3 | 169.7 | -56.4 | -177.9 | 0 | 0 | 0 | 107.4 | T167 E169 | T167-I177 PolarHBondContact N-O 2.86Å; E169-I177 HydrophobicContact CG-CD1 4.3Å; E169-I177 HydrophobicContact CG-CG1 4.49Å; E169-I177 WeakPolarHBondContact OE1-CD1 3.42Å; E169-I177 VanDerWaalsContact OE2-CD1 3.24Å; E169-I177 WeakPolarHBondContact OE2-CD1 3.24Å |
| 178 | V | 58.3 | Low | 52.8 | Low | 89 Ų | 89 | 123.6 Ų | 123.6 | 54% | 0.539 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.8 | 172.9 | -178 | 0 | 0 | 0 | 0 | 106.1 | L164 V166 | L164-V178 HydrophobicContact CB-CG1 4.23Å; L164-V178 HydrophobicContact CD1-CG1 4.48Å; L164-V178 HydrophobicContact CD2-CG1 3.86Å; L164-V178 HydrophobicContact CG-CG1 4.42Å; V166-V178 HydrophobicContact CG2-CG2 4.37Å |
| 179 | S | 62.3 | Low | 51.4 | Low | 45 Ų | 45 | 122 Ų | 122 | 32% | 0.315 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 123 | 174 | 59.3 | 0 | 0 | 0 | 0 | 109.4 | A165 | A165-S179 PolarHBondContact N-O 3.33Å; A165-S179 PolarHBondContact O-N 3.21Å; A165-S179 VanDerWaalsContact O-N 3.08Å; A165-S179 PolarHBondContact O-OG 2.87Å |
| 180 | E | 61.5 | Low | 50.2 | Low | 125 Ų | 125 | 125.3 Ų | 125.3 | 58% | 0.584 | 66% | 0.66 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.2 | 117.8 | 167.9 | 159.1 | 162 | -158 | 0 | 0 | 108.4 | V162 L164 P182 | V162-E180 HydrophobicContact CG1-CB 4.06Å; V162-E180 HydrophobicContact CG1-CG 3.42Å; V162-E180 VanDerWaalsContact CG1-CG 3.42Å; V162-E180 WeakPolarHBondContact CG1-OE1 3.39Å; V162-E180 WeakPolarHBondContact CG2-OE1 3.47Å; L164-E180 HydrophobicContact CD2-CB 3.88Å; E180-P182 WeakPolarHBondContact O-CD 3.22Å |
| 181 | K | 60.9 | Low | 49.1 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 50% | 0.496 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.6 | 109.4 | 173 | -71.5 | 177.3 | 179.6 | 173.4 | 0 | 107.4 | E163 A165 I183 | E163-K181 PolarHBondContact O-N 3.39Å; E163-K181 VanDerWaalsContact O-N 3.08Å; A165-K181 HydrophobicContact CB-CD 4.01Å; A165-K181 HydrophobicContact CB-CG 4.45Å; K181-I183 PolarHBondContact O-N 2.78Å |
| 182 | P | 38.6 | Very low | 47.6 | Very low | 99 Ų | 99 | 128 Ų | 128 | 64% | 0.643 | 67% | 0.673 | S | S | * | * | | | trans | -62 | 132.3 | 166.2 | 25.7 | -31 | 0 | 0 | 0 | 107.6 | E180 R184 | E180-P182 WeakPolarHBondContact O-CD 3.22Å; P182-R184 VanDerWaalsContact C-N 3.28Å; P182-R184 PolarHBondContact O-N 3.49Å |
| 183 | I | 40.4 | Very low | 46.8 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 67% | 0.672 | 67% | 0.67 | S | S | * | * | | | trans | -61.3 | 94.1 | 175.8 | -64.7 | 168.4 | 0 | 0 | 0 | 106.7 | K181 A185 | K181-I183 PolarHBondContact O-N 2.78Å; I183-A185 PolarHBondContact O-N 3.34Å; I183-A185 VanDerWaalsContact O-N 3.09Å |
| 184 | R | 41.8 | Very low | 46.2 | Very low | 227 Ų | 227 | 130 Ų | 130 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | | | trans | -65.8 | 112.8 | 166.6 | -77.3 | -171.4 | 179.1 | -166.6 | -0.3 | 106.2 | P182 R186 | P182-R184 VanDerWaalsContact C-N 3.28Å; P182-R184 PolarHBondContact O-N 3.49Å; R184-R186 PolarHBondContact O-N 2.88Å |
| 185 | A | 34.6 | Very low | 45.1 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 62% | 0.62 | 69% | 0.69 | S | S | * | * | | | trans | -44 | 117.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | I183 N187 | I183-A185 PolarHBondContact O-N 3.34Å; I183-A185 VanDerWaalsContact O-N 3.09Å; A185-N187 VanDerWaalsContact C-N 3.25Å; A185-N187 PolarHBondContact O-N 2.82Å |
| 186 | R | 34.7 | Very low | 43.9 | Very low | 210 Ų | 210 | 127 Ų | 127 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | | | trans | -68.1 | 85.8 | 178.3 | -179.1 | -179.6 | 179.9 | 173.2 | -1.6 | 107.9 | R184 Q188 | R184-R186 PolarHBondContact O-N 2.88Å; R186-Q188 HydrophobicContact CG-CG 4.33Å; R186-Q188 PolarHBondContact O-N 3.48Å |
| 187 | N | 37.5 | Very low | 42.3 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | | | trans | -72.3 | 107.1 | 162 | -67.1 | -41.6 | 0 | 0 | 0 | 107.1 | A185 | A185-N187 VanDerWaalsContact C-N 3.25Å; A185-N187 PolarHBondContact O-N 2.82Å |
| 188 | Q | 42.9 | Very low | 41.3 | Very low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | | | trans | -76.8 | 124.9 | 158.1 | -65 | -153.5 | 108.4 | 0 | 0 | 107 | R186 | R186-Q188 HydrophobicContact CG-CG 4.33Å; R186-Q188 PolarHBondContact O-N 3.48Å |
| 189 | G | 30.8 | Very low | 40.2 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | | | trans | -78.2 | 164.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 190 | T | 31.6 | Very low | 39.1 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | trans | -126.4 | 125.4 | 143.8 | -49.6 | 0 | 0 | 0 | 0 | 105.1 | | |
| 191 | E | 37.2 | Very low | 37.8 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -54.7 | 150.5 | 164.9 | -65.2 | -161.5 | 137.7 | 0 | 0 | 109.5 | | |
| 192 | E | 27.6 | Very low | 37.1 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | | -161.1 | 163.3 | 58.8 | -76.6 | 176.8 | 141 | 0 | 0 | 111.3 | | |
| 193 | S | 40.6 | Very low | 37.4 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | -68.9 | -175.7 | 174.1 | -132 | 0 | 0 | 0 | 0 | 113.2 | | |
| 194 | P | 47.5 | Very low | 37.1 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | | | cis | -139.2 | 168.1 | -2.5 | 35.7 | -14.9 | 0 | 0 | 0 | 116.4 | | |
| 195 | G | 32.3 | Very low | 36.6 | Very low | 84 Ų | 84 | 145 Ų | 145 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | | | trans | 112.2 | 123.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 196 | G | 33.3 | Very low | 36.8 | Very low | 79 Ų | 79 | 147.5 Ų | 147.5 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | | | trans | 154.4 | 89.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 197 | R | 31.6 | Very low | 36.6 | Very low | 241 Ų | 241 | 142.1 Ų | 142.1 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | | | trans | 2.4 | 131.1 | 157.2 | -64.6 | 173.9 | -166.9 | -89.6 | -2.6 | 120 | | |
| 198 | V | 42.5 | Very low | 36.5 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | | | | 14.4 | 119 | 127 | -178.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 199 | T | 33.9 | Very low | 36 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | | | | -159.8 | 126.2 | 124.2 | -70.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 200 | R | 40.4 | Very low | 36.6 | Very low | 243 Ų | 243 | 144.9 Ų | 144.9 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | | | trans | -71.5 | 133.6 | 170.8 | -77.4 | 174.3 | 162.7 | -166.6 | -4.6 | 109.3 | | |
| 201 | S | 33.6 | Very low | 36.7 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | | | trans | -133.1 | 128.6 | 160.5 | -55 | 0 | 0 | 0 | 0 | 108.7 | | |
| 202 | P | 46.8 | Very low | 36.8 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81 | 152.9 | 172.5 | 32 | -30 | 0 | 0 | 0 | 111 | | |
| 203 | P | 43.6 | Very low | 37.3 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 140.9 | -176.4 | 29.7 | -32.9 | 0 | 0 | 0 | 112.7 | Q205 | P203-Q205 PolarHBondContact O-N 3.27Š|
| 204 | M | 33.6 | Very low | 37 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128 | 175.1 | -85.6 | -179.5 | 157.5 | 0 | 0 | 112 | | |
| 205 | Q | 32.7 | Very low | 36.6 | Very low | 194 Ų | 194 | 148 Ų | 148 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 117.4 | 166.4 | -64 | 177.5 | 76.9 | 0 | 0 | 107.8 | P203 A207 | P203-Q205 PolarHBondContact O-N 3.27Å; Q205-A207 PolarHBondContact O-N 2.93Å |
| 206 | V | 37.4 | Very low | 36.6 | Very low | 128 Ų | 128 | 147 Ų | 147 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | | | trans | -87.5 | 100.9 | 175.6 | -158.3 | 0 | 0 | 0 | 0 | 107.8 | I208 | V206-I208 HydrophobicContact CG1-CG1 4.3Š|
| 207 | A | 32.3 | Very low | 36.9 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | trans | -81.3 | 115.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108 | Q205 | Q205-A207 PolarHBondContact O-N 2.93Š|
| 208 | I | 33.7 | Very low | 36.8 | Very low | 157 Ų | 157 | 148.6 Ų | 148.6 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | | | trans | -98.8 | 106.1 | 165.7 | -59.1 | 177.4 | 0 | 0 | 0 | 107 | V206 | V206-I208 HydrophobicContact CG1-CG1 4.3Š|
| 209 | S | 33.6 | Very low | 36.2 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | | | trans | -60.9 | 137.8 | 173.3 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 210 | L | 43 | Very low | 36.6 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | | | trans | -101.7 | 106.3 | 175.5 | -165.7 | 88.3 | 0 | 0 | 0 | 109.1 | | |
| 211 | D | 33.8 | Very low | 36.1 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | | | trans | 170.4 | 148.2 | 154.2 | -116.4 | -22.9 | 0 | 0 | 0 | 107.8 | | |
| 212 | S | 38.6 | Very low | 36.4 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 67% | 0.671 | 83% | 0.825 | S | S | * | * | | | cis | -164.4 | 153.6 | 12.6 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 213 | A | 38.5 | Very low | 36 | Very low | 96 Ų | 96 | 154.9 Ų | 154.9 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | | | trans | 33.7 | 104.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 214 | R | 35.5 | Very low | 36.1 | Very low | 244 Ų | 244 | 154.8 Ų | 154.8 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | | | trans | -137.3 | 100.4 | 134.5 | -149.3 | 173.7 | -166.8 | -110.2 | 3 | 110.6 | G216 | R214-G216 PolarHBondContact O-N 2.86Š|
| 215 | K | 37.8 | Very low | 36.7 | Very low | 212 Ų | 212 | 152.4 Ų | 152.4 | 92% | 0.922 | 82% | 0.822 | S | S | * | * | | | trans | -59.1 | 120.2 | 160.1 | -97.6 | -177.8 | 173.7 | -90.9 | 0 | 108.1 | | |
| 216 | G | 33.3 | Very low | 37 | Very low | 64 Ų | 64 | 146.1 Ų | 146.1 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | | | trans | -137.6 | 107.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | R214 W218 | R214-G216 PolarHBondContact O-N 2.86Å; G216-W218 PolarHBondContact O-N 3.04Å |
| 217 | A | 38.3 | Very low | 36.9 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | -65.5 | 121.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 218 | W | 30.2 | Very low | 37.4 | Very low | 256 Ų | 256 | 149.4 Ų | 149.4 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | | | trans | -132.2 | 119.4 | 150.8 | -73.3 | 90.7 | 0 | 0 | 0 | 106.7 | G216 | G216-W218 PolarHBondContact O-N 3.04Š|
| 219 | E | 29.6 | Very low | 38.2 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -70.4 | 153.9 | -178.7 | -152.7 | 161.5 | -154.1 | 0 | 0 | 110.2 | R221 | E219-R221 PolarHBondContact O-N 3.06Š|
| 220 | P | 43 | Very low | 39.1 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | | | trans | -80 | 107.5 | -165.2 | 13.5 | 0.5 | 0 | 0 | 0 | 110.8 | S222 | P220-S222 PolarHBondContact O-N 3.2Š|
| 221 | R | 30 | Very low | 39.9 | Very low | 240 Ų | 240 | 147.7 Ų | 147.7 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -85.9 | 98.9 | 170.3 | -159.8 | 172.8 | -173.8 | -170.4 | 0.4 | 109.7 | E219 | E219-R221 PolarHBondContact O-N 3.06Š|
| 222 | S | 40.2 | Very low | 41 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | 27.1 | 108.6 | 146.6 | -43.3 | 0 | 0 | 0 | 0 | 118.4 | P220 | P220-S222 PolarHBondContact O-N 3.2Š|
| 223 | R | 38.4 | Very low | 41.9 | Very low | 216 Ų | 216 | 146.8 Ų | 146.8 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | trans | -41.6 | 131.3 | 159.2 | -157.9 | 175 | 164.6 | -133 | -4.1 | 112.7 | | |
| 224 | P | 43.8 | Very low | 43.9 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -77.2 | 125.5 | 152 | -3 | 20.9 | 0 | 0 | 0 | 108 | G226 | P224-G226 PolarHBondContact O-N 3.26Å; P224-G226 VanDerWaalsContact O-N 3.12Å |
| 225 | V | 47.7 | Very low | 46.4 | Very low | 138 Ų | 138 | 144 Ų | 144 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -61.8 | 107.3 | 165.2 | 173.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 226 | G | 37.5 | Very low | 48.7 | Very low | 61 Ų | 61 | 137.3 Ų | 137.3 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | | | trans | -138.6 | 133.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107 | P224 | P224-G226 PolarHBondContact O-N 3.26Å; P224-G226 VanDerWaalsContact O-N 3.12Å |
| 227 | E | 37 | Very low | 51.5 | Low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | -45 | 147.5 | -163 | -69.5 | 174.3 | 131.5 | 0 | 0 | 116.2 | | |
| 228 | P | 42.3 | Very low | 54.1 | Low | 111 Ų | 111 | 139.6 Ų | 139.6 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | | | trans | -62.2 | 140.1 | 166.9 | -9.5 | 24.4 | 0 | 0 | 0 | 109.7 | E230 | P228-E230 VanDerWaalsContact C-N 3.31Å; P228-E230 PolarHBondContact O-N 2.75Å |
| 229 | P | 50.2 | Low | 57.2 | Low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | | | trans | -63.8 | 95.8 | 163.1 | -13.8 | 27.7 | 0 | 0 | 0 | 108.3 | A231 | P229-A231 PolarHBondContact O-N 3.26Š|
| 230 | E | 53.6 | Low | 60.3 | Low | 189 Ų | 189 | 128.7 Ų | 128.7 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 36.1 | 177.5 | -148.6 | -176.7 | -156.1 | 0 | 0 | 112.1 | P228 | P228-E230 VanDerWaalsContact C-N 3.31Å; P228-E230 PolarHBondContact O-N 2.75Å |
| 231 | A | 58.9 | Low | 62.7 | Low | 94 Ų | 94 | 127 Ų | 127 | 78% | 0.777 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | 24.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P229 | P229-A231 PolarHBondContact O-N 3.26Š|
| 232 | G | 56.5 | Low | 65.9 | Low | 54 Ų | 54 | 121.9 Ų | 121.9 | 56% | 0.557 | 65% | 0.649 | S | S | * | * | | | trans | -121.2 | 77.8 | 160 | 0 | 0 | 0 | 0 | 0 | 107.3 | D234 | G232-D234 VanDerWaalsContact C-N 3.28Å; G232-D234 PolarHBondContact O-N 2.93Å |
| 233 | W | 57 | Low | 68.4 | Low | 177 Ų | 177 | 120.9 Ų | 120.9 | 67% | 0.67 | 63% | 0.633 | S | S | * | * | | | trans | -57.8 | 106.7 | 163.1 | -70.9 | 87.4 | 0 | 0 | 0 | 105.8 | Y235 | W233-Y235 PolarHBondContact O-N 2.98Š|
| 234 | D | 81.9 | Confident | 71 | Confident | 112 Ų | 112 | 115.9 Ų | 115.9 | 60% | 0.599 | 62% | 0.619 | S | S | * | * | | | trans | -52.5 | 118.8 | 177.4 | -81.8 | -30.5 | 0 | 0 | 0 | 106.1 | G232 A236 Q237 W238 | G232-D234 VanDerWaalsContact C-N 3.28Å; G232-D234 PolarHBondContact O-N 2.93Å; D234-A236 CarbonylContact O-C 3.56Å; D234-A236 PolarHBondContact O-N 3.44Å; D234-Q237 HydrophobicContact CB-CB 4.28Å; D234-Q237 WeakPolarHBondContact O-CA 3.39Å; D234-Q237 WeakPolarHBondContact O-CB 3.49Å; D234-Q237 PolarHBondContact O-N 3.34Å; D234-W238 PolarHBondContact O-N 3.12Å |
| 235 | Y | 86.6 | Confident | 73.1 | Confident | 168 Ų | 168 | 113.2 Ų | 113.2 | 66% | 0.659 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -52.2 | -27.5 | -176.2 | -178.8 | -98.5 | 0 | 0 | 0 | 111.4 | W233 W238 K239 | W233-Y235 PolarHBondContact O-N 2.98Å; Y235-W238 AromaticContact CD2-CE3 3.83Å; Y235-W238 HydrophobicContact CD2-CE3 3.83Å; Y235-W238 HydrophobicContact CD2-CZ3 4.03Å; Y235-W238 AromaticContact CE2-CE3 3.72Å; Y235-W238 HydrophobicContact CE2-CE3 3.72Å; Y235-W238 HydrophobicContact CE2-CH2 4.47Å; Y235-W238 AromaticContact CE2-CZ3 3.42Å; Y235-W238 HydrophobicContact CE2-CZ3 3.42Å; Y235-W238 VanDerWaalsContact CE2-CZ3 3.42Å; Y235-W238 AromaticContact CZ-CZ3 3.94Å; Y235-K239 WeakPolarHBondContact O-CB 3.24Å; Y235-K239 PolarHBondContact O-N 3.25Å |
| 236 | A | 87.3 | Confident | 75.2 | Confident | 72 Ų | 72 | 109.9 Ų | 109.9 | 60% | 0.595 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -48.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D234 K239 Q240 | D234-A236 CarbonylContact O-C 3.56Å; D234-A236 PolarHBondContact O-N 3.44Å; A236-K239 PolarHBondContact O-N 2.91Å; A236-Q240 VanDerWaalsContact O-CB 3.24Å; A236-Q240 WeakPolarHBondContact O-CB 3.41Å; A236-Q240 PolarHBondContact O-N 3.12Å |
| 237 | Q | 91.9 | Very high | 77.6 | Confident | 117 Ų | 117 | 112.3 Ų | 112.3 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.4 | -42.2 | 177.7 | -169.7 | 177.2 | 6.7 | 0 | 0 | 111.5 | D234 Q240 E241 | D234-Q237 HydrophobicContact CB-CB 4.28Å; D234-Q237 WeakPolarHBondContact O-CA 3.39Å; D234-Q237 WeakPolarHBondContact O-CB 3.49Å; D234-Q237 PolarHBondContact O-N 3.34Å; Q237-Q240 PolarHBondContact O-N 2.83Å; Q237-E241 WeakPolarHBondContact O-CB 3.46Å; Q237-E241 PolarHBondContact O-N 3.41Å |
| 238 | W | 93.2 | Very high | 79.7 | Confident | 94 Ų | 94 | 105.2 Ų | 105.2 | 36% | 0.356 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 174.6 | 171.5 | 78.1 | 0 | 0 | 0 | 112.3 | D234 Y235 Q240 E241 R242 | D234-W238 PolarHBondContact O-N 3.12Å; Y235-W238 AromaticContact CD2-CE3 3.83Å; Y235-W238 HydrophobicContact CD2-CE3 3.83Å; Y235-W238 HydrophobicContact CD2-CZ3 4.03Å; Y235-W238 AromaticContact CE2-CE3 3.72Å; Y235-W238 HydrophobicContact CE2-CE3 3.72Å; Y235-W238 HydrophobicContact CE2-CH2 4.47Å; Y235-W238 AromaticContact CE2-CZ3 3.42Å; Y235-W238 HydrophobicContact CE2-CZ3 3.42Å; Y235-W238 VanDerWaalsContact CE2-CZ3 3.42Å; Y235-W238 AromaticContact CZ-CZ3 3.94Å; W238-Q240 VanDerWaalsContact C-N 3.34Å; W238-E241 PolarHBondContact O-N 3.49Å; W238-R242 HydrophobicContact CD2-CG 4.2Å; W238-R242 HydrophobicContact CZ2-CG 4.05Å; W238-R242 WeakPolarHBondContact O-CB 3.37Å; W238-R242 VanDerWaalsContact O-CG 3.29Å; W238-R242 WeakPolarHBondContact O-CG 3.36Å; W238-R242 PolarHBondContact O-N 2.89Å |
| 239 | K | 95.1 | Very high | 81.7 | Confident | 106 Ų | 106 | 105.1 Ų | 105.1 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 176.4 | -173.4 | -179.4 | -179.4 | -166.4 | 0 | 111 | Y235 A236 R242 E243 | Y235-K239 WeakPolarHBondContact O-CB 3.24Å; Y235-K239 PolarHBondContact O-N 3.25Å; A236-K239 PolarHBondContact O-N 2.91Å; K239-R242 PolarHBondContact O-N 2.87Å; K239-E243 WeakPolarHBondContact CE-OE1 3.33Å; K239-E243 WeakPolarHBondContact O-CB 3.49Å; K239-E243 WeakPolarHBondContact O-CG 3.41Å; K239-E243 PolarHBondContact O-N 3.24Å |
| 240 | Q | 95.1 | Very high | 83.1 | Confident | 102 Ų | 102 | 102.4 Ų | 102.4 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 175.6 | -172.6 | 63.7 | 34.1 | 0 | 0 | 111.8 | A236 Q237 W238 Q244 | A236-Q240 VanDerWaalsContact O-CB 3.24Å; A236-Q240 WeakPolarHBondContact O-CB 3.41Å; A236-Q240 PolarHBondContact O-N 3.12Å; Q237-Q240 PolarHBondContact O-N 2.83Å; W238-Q240 VanDerWaalsContact C-N 3.34Å; Q240-Q244 WeakPolarHBondContact O-CB 3.26Å; Q240-Q244 VanDerWaalsContact O-CG 3.26Å; Q240-Q244 WeakPolarHBondContact O-CG 3.43Å; Q240-Q244 PolarHBondContact O-N 3.02Å; Q240-Q244 PolarHBondContact O-NE2 2.92Å |
| 241 | E | 93.4 | Very high | 84.2 | Confident | 89 Ų | 89 | 97 Ų | 97 | 42% | 0.416 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 174.9 | -169.9 | -162.4 | 164.3 | 0 | 0 | 111.2 | Q237 W238 E243 Q244 I245 | Q237-E241 WeakPolarHBondContact O-CB 3.46Å; Q237-E241 PolarHBondContact O-N 3.41Å; W238-E241 PolarHBondContact O-N 3.49Å; E241-E243 PolarHBondContact O-N 3.45Å; E241-Q244 WeakPolarHBondContact O-CB 3.16Å; E241-Q244 PolarHBondContact O-N 2.9Å; E241-I245 HydrophobicContact CG-CD1 4.1Å; E241-I245 VanDerWaalsContact O-CG1 3.27Å; E241-I245 WeakPolarHBondContact O-CG1 3.26Å; E241-I245 PolarHBondContact O-N 3.46Å |
| 242 | R | 96.1 | Very high | 84.7 | Confident | 131 Ų | 131 | 100.8 Ų | 100.8 | 49% | 0.494 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 175.8 | -78.2 | -84 | 145.9 | 112 | -4.4 | 111.8 | W238 K239 Q244 I245 D246 | W238-R242 HydrophobicContact CD2-CG 4.2Å; W238-R242 HydrophobicContact CZ2-CG 4.05Å; W238-R242 WeakPolarHBondContact O-CB 3.37Å; W238-R242 VanDerWaalsContact O-CG 3.29Å; W238-R242 WeakPolarHBondContact O-CG 3.36Å; W238-R242 PolarHBondContact O-N 2.89Å; K239-R242 PolarHBondContact O-N 2.87Å; R242-Q244 VanDerWaalsContact C-N 3.34Å; R242-I245 PolarHBondContact O-N 3.26Å; R242-D246 WeakPolarHBondContact O-CB 3.46Å; R242-D246 PolarHBondContact O-N 3.06Å |
| 243 | E | 93.1 | Very high | 84.9 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 175.4 | -75.1 | 176 | -168 | 0 | 0 | 111.5 | K239 E241 D246 L247 | K239-E243 WeakPolarHBondContact CE-OE1 3.33Å; K239-E243 WeakPolarHBondContact O-CB 3.49Å; K239-E243 WeakPolarHBondContact O-CG 3.41Å; K239-E243 PolarHBondContact O-N 3.24Å; E241-E243 PolarHBondContact O-N 3.45Å; E243-D246 PolarHBondContact O-N 3.01Å; E243-L247 WeakPolarHBondContact O-CB 3.46Å; E243-L247 VanDerWaalsContact O-CG 3.24Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.46Å |
| 244 | Q | 92.4 | Very high | 85.5 | Confident | 111 Ų | 111 | 100.2 Ų | 100.2 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 173.2 | -77 | -179.5 | 85.5 | 0 | 0 | 112.7 | Q240 E241 R242 D246 L247 A248 | Q240-Q244 WeakPolarHBondContact O-CB 3.26Å; Q240-Q244 VanDerWaalsContact O-CG 3.26Å; Q240-Q244 WeakPolarHBondContact O-CG 3.43Å; Q240-Q244 PolarHBondContact O-N 3.02Å; Q240-Q244 PolarHBondContact O-NE2 2.92Å; E241-Q244 WeakPolarHBondContact O-CB 3.16Å; E241-Q244 PolarHBondContact O-N 2.9Å; R242-Q244 VanDerWaalsContact C-N 3.34Å; Q244-D246 VanDerWaalsContact C-N 3.3Å; Q244-D246 PolarHBondContact O-N 3.36Å; Q244-L247 PolarHBondContact O-N 2.76Å; Q244-A248 WeakPolarHBondContact O-CB 3.3Å; Q244-A248 PolarHBondContact O-N 3.13Å |
| 245 | I | 88.1 | Confident | 84.6 | Confident | 62 Ų | 62 | 98 Ų | 98 | 32% | 0.318 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.1 | -71.5 | 166.4 | 0 | 0 | 0 | 110.2 | E241 R242 A248 R249 | E241-I245 HydrophobicContact CG-CD1 4.1Å; E241-I245 VanDerWaalsContact O-CG1 3.27Å; E241-I245 WeakPolarHBondContact O-CG1 3.26Å; E241-I245 PolarHBondContact O-N 3.46Å; R242-I245 PolarHBondContact O-N 3.26Å; I245-A248 PolarHBondContact O-N 3.21Å; I245-R249 VanDerWaalsContact O-CB 3.22Å; I245-R249 WeakPolarHBondContact O-CB 3.45Å; I245-R249 PolarHBondContact O-N 3.4Å |
| 246 | D | 92.5 | Very high | 83.7 | Confident | 69 Ų | 69 | 95.6 Ų | 95.6 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 176.7 | -77.4 | -24.9 | 0 | 0 | 0 | 111.2 | R242 E243 Q244 A248 R249 L250 | R242-D246 WeakPolarHBondContact O-CB 3.46Å; R242-D246 PolarHBondContact O-N 3.06Å; E243-D246 PolarHBondContact O-N 3.01Å; Q244-D246 VanDerWaalsContact C-N 3.3Å; Q244-D246 PolarHBondContact O-N 3.36Å; D246-A248 VanDerWaalsContact C-N 3.34Å; D246-A248 PolarHBondContact O-N 2.94Å; D246-R249 CarbonylContact O-C 3.49Å; D246-R249 WeakPolarHBondContact O-CB 3.22Å; D246-R249 PolarHBondContact O-N 3.13Å; D246-R249 VanDerWaalsContact O-N 3.16Å; D246-R249 IonicContact OD1-CZ 3.51Å; D246-R249 IonicContact OD1-NH1 2.89Å; D246-R249 PolarHBondContact OD1-NH1 3.16Å; D246-L250 WeakPolarHBondContact O-CB 3.29Å; D246-L250 WeakPolarHBondContact O-CG 3.32Å; D246-L250 PolarHBondContact O-N 3.39Å |
| 247 | L | 86.4 | Confident | 82.6 | Confident | 112 Ų | 112 | 100.6 Ų | 100.6 | 59% | 0.586 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.3 | -42 | 172.9 | -73.2 | 173 | 0 | 0 | 0 | 112 | E243 Q244 R249 L250 A251 | E243-L247 WeakPolarHBondContact O-CB 3.46Å; E243-L247 VanDerWaalsContact O-CG 3.24Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.46Å; Q244-L247 PolarHBondContact O-N 2.76Å; L247-R249 VanDerWaalsContact C-N 3.34Å; L247-L250 CarbonylContact O-C 3.59Å; L247-L250 PolarHBondContact O-N 3.42Å; L247-A251 VanDerWaalsContact O-CB 3.32Å; L247-A251 WeakPolarHBondContact O-CB 3.42Å; L247-A251 PolarHBondContact O-N 3.31Å |
| 248 | A | 82.5 | Confident | 81.4 | Confident | 34 Ų | 34 | 97 Ų | 97 | 28% | 0.281 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q244 I245 D246 R252 | Q244-A248 WeakPolarHBondContact O-CB 3.3Å; Q244-A248 PolarHBondContact O-N 3.13Å; I245-A248 PolarHBondContact O-N 3.21Å; D246-A248 VanDerWaalsContact C-N 3.34Å; D246-A248 PolarHBondContact O-N 2.94Å; A248-R252 WeakPolarHBondContact O-CB 3.14Å; A248-R252 VanDerWaalsContact O-CG 3.3Å; A248-R252 WeakPolarHBondContact O-CG 3.49Å; A248-R252 PolarHBondContact O-N 3.01Å; A248-R252 VanDerWaalsContact O-N 3.13Å; A248-R252 PolarHBondContact O-NE 3.49Å |
| 249 | R | 82.8 | Confident | 80.2 | Confident | 110 Ų | 110 | 95.7 Ų | 95.7 | 42% | 0.415 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 171.3 | -175.1 | -173 | -67.4 | 155.1 | 0.9 | 110.6 | I245 D246 L247 R252 H253 | I245-R249 VanDerWaalsContact O-CB 3.22Å; I245-R249 WeakPolarHBondContact O-CB 3.45Å; I245-R249 PolarHBondContact O-N 3.4Å; D246-R249 CarbonylContact O-C 3.49Å; D246-R249 WeakPolarHBondContact O-CB 3.22Å; D246-R249 PolarHBondContact O-N 3.13Å; D246-R249 VanDerWaalsContact O-N 3.16Å; D246-R249 IonicContact OD1-CZ 3.51Å; D246-R249 IonicContact OD1-NH1 2.89Å; D246-R249 PolarHBondContact OD1-NH1 3.16Å; L247-R249 VanDerWaalsContact C-N 3.34Å; R249-R252 PolarHBondContact O-N 3.31Å; R249-H253 WeakPolarHBondContact O-CB 3.37Å; R249-H253 PolarHBondContact O-CD2 3.23Å; R249-H253 VanDerWaalsContact O-CD2 3.26Å; R249-H253 PolarHBondContact O-N 3.38Å |
| 250 | L | 80.1 | Confident | 78.9 | Confident | 63 Ų | 63 | 96.7 Ų | 96.7 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 178.2 | -69.7 | 174.8 | 0 | 0 | 0 | 111.2 | D246 L247 R252 H253 R254 W260 | D246-L250 WeakPolarHBondContact O-CB 3.29Å; D246-L250 WeakPolarHBondContact O-CG 3.32Å; D246-L250 PolarHBondContact O-N 3.39Å; L247-L250 CarbonylContact O-C 3.59Å; L247-L250 PolarHBondContact O-N 3.42Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 3.46Å; L250-H253 PolarHBondContact O-N 2.77Å; L250-R254 PolarHBondContact O-N 2.8Å; L250-W260 VanDerWaalsContact CA-CZ3 3.42Å; L250-W260 HydrophobicContact CB-CH2 3.5Å; L250-W260 VanDerWaalsContact CB-CH2 3.5Å; L250-W260 HydrophobicContact CB-CZ3 3.86Å; L250-W260 HydrophobicContact CD2-CD2 4.37Å; L250-W260 HydrophobicContact CD2-CE3 3.94Å; L250-W260 HydrophobicContact CD2-CH2 3.1Å; L250-W260 HydrophobicContact CD2-CZ2 3.52Å; L250-W260 HydrophobicContact CD2-CZ3 3.34Å; L250-W260 HydrophobicContact CG-CH2 3.79Å; L250-W260 HydrophobicContact CG-CZ2 4.47Å; L250-W260 HydrophobicContact CG-CZ3 4.13Å; L250-W260 WeakPolarHBondContact O-CH2 3.23Å; L250-W260 VanDerWaalsContact O-CZ3 3.23Å; L250-W260 WeakPolarHBondContact O-CZ3 3.46Å |
| 251 | A | 76.6 | Confident | 77.6 | Confident | 75 Ų | 75 | 97.3 Ų | 97.3 | 62% | 0.62 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.5 | -35.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L247 H253 | L247-A251 VanDerWaalsContact O-CB 3.32Å; L247-A251 WeakPolarHBondContact O-CB 3.42Å; L247-A251 PolarHBondContact O-N 3.31Å; A251-H253 VanDerWaalsContact C-N 3.34Å |
| 252 | R | 71.1 | Confident | 76.4 | Confident | 173 Ų | 173 | 98.1 Ų | 98.1 | 65% | 0.653 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -77.4 | -16.2 | 177.6 | -73.5 | 179.8 | -72.1 | -130.6 | 0.8 | 114.2 | A248 R249 L250 | A248-R252 WeakPolarHBondContact O-CB 3.14Å; A248-R252 VanDerWaalsContact O-CG 3.3Å; A248-R252 WeakPolarHBondContact O-CG 3.49Å; A248-R252 PolarHBondContact O-N 3.01Å; A248-R252 VanDerWaalsContact O-N 3.13Å; A248-R252 PolarHBondContact O-NE 3.49Å; R249-R252 PolarHBondContact O-N 3.31Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 3.46Å |
| 253 | H | 60.5 | Low | 74.8 | Confident | 63 Ų | 63 | 97 Ų | 97 | 29% | 0.292 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 27.4 | -170.2 | -69.4 | -61.7 | 0 | 0 | 0 | 114.4 | R249 L250 A251 W260 | R249-H253 WeakPolarHBondContact O-CB 3.37Å; R249-H253 PolarHBondContact O-CD2 3.23Å; R249-H253 VanDerWaalsContact O-CD2 3.26Å; R249-H253 PolarHBondContact O-N 3.38Å; L250-H253 PolarHBondContact O-N 2.77Å; A251-H253 VanDerWaalsContact C-N 3.34Å; H253-W260 HydrophobicContact CB-CE3 4.2Å; H253-W260 HydrophobicContact CB-CZ3 4.27Å; H253-W260 VanDerWaalsContact O-CE3 3.23Å; H253-W260 WeakPolarHBondContact O-CZ3 3.31Å |
| 254 | R | 68.4 | Low | 73.4 | Confident | 157 Ų | 157 | 100.5 Ų | 100.5 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | | | trans | -93.2 | 118.6 | 157.8 | -71.8 | -177 | -179.8 | 135.7 | 0.7 | 108.3 | L250 W260 | L250-R254 PolarHBondContact O-N 2.8Å; R254-W260 HydrophobicContact CG-CH2 3.54Å; R254-W260 HydrophobicContact CG-CZ2 4.12Å; R254-W260 HydrophobicContact CG-CZ3 3.84Å |
| 255 | D | 63.9 | Low | 72.3 | Confident | 66 Ų | 66 | 97.2 Ų | 97.2 | 35% | 0.353 | 49% | 0.487 | S | S | . | . | | | trans | -71.1 | 167.3 | 160 | 62.9 | 24.7 | 0 | 0 | 0 | 109.6 | Q257 G258 D259 | D255-Q257 PolarHBondContact O-N 2.9Å; D255-Q257 VanDerWaalsContact OD1-C 3.3Å; D255-Q257 WeakPolarHBondContact OD1-CA 3.36Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.47Å; D255-Q257 PolarHBondContact OD1-N 2.78Å; D255-G258 PolarHBondContact O-N 2.93Å; D255-G258 PolarHBondContact OD1-N 2.9Å; D255-D259 WeakPolarHBondContact OD1-CB 3.39Å; D255-D259 PolarHBondContact OD1-N 3.02Å; D255-D259 WeakPolarHBondContact OD2-CB 3.49Å |
| 256 | A | 66.7 | Low | 71 | Confident | 117 Ų | 117 | 99.8 Ų | 99.8 | 97% | 0.967 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -5.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 257 | Q | 64.6 | Low | 69.4 | Low | 176 Ų | 176 | 101.5 Ų | 101.5 | 82% | 0.822 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -3.6 | 172.6 | -69.2 | -147.7 | -78.3 | 0 | 0 | 113.9 | D255 D259 | D255-Q257 PolarHBondContact O-N 2.9Å; D255-Q257 VanDerWaalsContact OD1-C 3.3Å; D255-Q257 WeakPolarHBondContact OD1-CA 3.36Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.47Å; D255-Q257 PolarHBondContact OD1-N 2.78Å; Q257-D259 VanDerWaalsContact C-N 3.34Å |
| 258 | G | 67.8 | Low | 68.2 | Low | 42 Ų | 42 | 104 Ų | 104 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | | | trans | 79.2 | 14.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D255 | D255-G258 PolarHBondContact O-N 2.93Å; D255-G258 PolarHBondContact OD1-N 2.9Å |
| 259 | D | 67.3 | Low | 66.8 | Low | 66 Ų | 66 | 105.1 Ų | 105.1 | 35% | 0.353 | 53% | 0.525 | S | S | . | . | | | trans | -85.9 | 131.7 | 178.8 | -105.1 | 19.8 | 0 | 0 | 0 | 110.5 | D255 Q257 R261 | D255-D259 WeakPolarHBondContact OD1-CB 3.39Å; D255-D259 PolarHBondContact OD1-N 3.02Å; D255-D259 WeakPolarHBondContact OD2-CB 3.49Å; Q257-D259 VanDerWaalsContact C-N 3.34Å; D259-R261 HydrophobicContact CB-CG 4.39Å; D259-R261 PolarHBondContact O-N 3.31Å; D259-R261 IonicContact OD2-CZ 2.71Å; D259-R261 IonicContact OD2-NE 2.98Å; D259-R261 PolarHBondContact OD2-NE 3.38Å; D259-R261 IonicContact OD2-NH2 3.41Å; D259-R261 PolarHBondContact OD2-NH2 3.21Å |
| 260 | W | 68.6 | Low | 65.3 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 48% | 0.481 | 53% | 0.534 | S | S | . | . | | | trans | -84.1 | 90.7 | 176.8 | -61.2 | 101.4 | 0 | 0 | 0 | 109.9 | L250 H253 R254 | L250-W260 VanDerWaalsContact CA-CZ3 3.42Å; L250-W260 HydrophobicContact CB-CH2 3.5Å; L250-W260 VanDerWaalsContact CB-CH2 3.5Å; L250-W260 HydrophobicContact CB-CZ3 3.86Å; L250-W260 HydrophobicContact CD2-CD2 4.37Å; L250-W260 HydrophobicContact CD2-CE3 3.94Å; L250-W260 HydrophobicContact CD2-CH2 3.1Å; L250-W260 HydrophobicContact CD2-CZ2 3.52Å; L250-W260 HydrophobicContact CD2-CZ3 3.34Å; L250-W260 HydrophobicContact CG-CH2 3.79Å; L250-W260 HydrophobicContact CG-CZ2 4.47Å; L250-W260 HydrophobicContact CG-CZ3 4.13Å; L250-W260 WeakPolarHBondContact O-CH2 3.23Å; L250-W260 VanDerWaalsContact O-CZ3 3.23Å; L250-W260 WeakPolarHBondContact O-CZ3 3.46Å; H253-W260 HydrophobicContact CB-CE3 4.2Å; H253-W260 HydrophobicContact CB-CZ3 4.27Å; H253-W260 VanDerWaalsContact O-CE3 3.23Å; H253-W260 WeakPolarHBondContact O-CZ3 3.31Å; R254-W260 HydrophobicContact CG-CH2 3.54Å; R254-W260 HydrophobicContact CG-CZ2 4.12Å; R254-W260 HydrophobicContact CG-CZ3 3.84Å |
| 261 | R | 66.8 | Low | 64 | Low | 115 Ų | 115 | 108.4 Ų | 108.4 | 43% | 0.434 | 55% | 0.551 | S | S | . | * | | | trans | -129.6 | 122.4 | -180 | -63.1 | -176.5 | -175.1 | -81.1 | -5.2 | 112.1 | D259 | D259-R261 HydrophobicContact CB-CG 4.39Å; D259-R261 PolarHBondContact O-N 3.31Å; D259-R261 IonicContact OD2-CZ 2.71Å; D259-R261 IonicContact OD2-NE 2.98Å; D259-R261 PolarHBondContact OD2-NE 3.38Å; D259-R261 IonicContact OD2-NH2 3.41Å; D259-R261 PolarHBondContact OD2-NH2 3.21Å |
| 262 | R | 69.1 | Low | 62.8 | Low | 106 Ų | 106 | 111.2 Ų | 111.2 | 40% | 0.4 | 56% | 0.56 | S | S | . | * | | | trans | -83.2 | 155.1 | 166.3 | -57.3 | -177.6 | 177 | -138.5 | 2.2 | 109.4 | W264 D265 | R262-W264 PolarHBondContact O-N 2.99Å; R262-D265 VanDerWaalsContact CB-OD2 3.22Å; R262-D265 WeakPolarHBondContact CB-OD2 3.41Å; R262-D265 WeakPolarHBondContact CG-OD2 3.44Å; R262-D265 PolarHBondContact N-OD2 3.41Å; R262-D265 WeakPolarHBondContact O-CB 3.4Å; R262-D265 PolarHBondContact O-N 3.04Å |
| 263 | P | 61.4 | Low | 61.7 | Low | 109 Ų | 109 | 109.2 Ų | 109.2 | 71% | 0.708 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -22.2 | 179.5 | -28.9 | 36.1 | 0 | 0 | 0 | 115.8 | | |
| 264 | W | 63.8 | Low | 60.8 | Low | 157 Ų | 157 | 114.8 Ų | 114.8 | 60% | 0.595 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -6 | 177 | 59.8 | -83.9 | 0 | 0 | 0 | 114 | R262 L266 | R262-W264 PolarHBondContact O-N 2.99Å; W264-L266 VanDerWaalsContact C-N 3.29Å |
| 265 | D | 69.2 | Low | 59.1 | Low | 42 Ų | 42 | 113.1 Ų | 113.1 | 23% | 0.225 | 59% | 0.591 | C | S | . | * | G | 310 helix | trans | -79.4 | -15 | 172.4 | -63.4 | -36.4 | 0 | 0 | 0 | 112 | R262 D267 K268 A269 | R262-D265 VanDerWaalsContact CB-OD2 3.22Å; R262-D265 WeakPolarHBondContact CB-OD2 3.41Å; R262-D265 WeakPolarHBondContact CG-OD2 3.44Å; R262-D265 PolarHBondContact N-OD2 3.41Å; R262-D265 WeakPolarHBondContact O-CB 3.4Å; R262-D265 PolarHBondContact O-N 3.04Å; D265-D267 PolarHBondContact O-N 3.41Å; D265-K268 PolarHBondContact O-N 3.5Å; D265-K268 VanDerWaalsContact O-N 3.09Å; D265-A269 PolarHBondContact O-N 2.98Å |
| 266 | L | 62 | Low | 57.6 | Low | 116 Ų | 116 | 116.8 Ų | 116.8 | 61% | 0.607 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -57.8 | -32.4 | 173.5 | -66.6 | 176.4 | 0 | 0 | 0 | 112 | W264 | W264-L266 VanDerWaalsContact C-N 3.29Š|
| 267 | D | 59 | Low | 56.9 | Low | 106 Ų | 106 | 115.3 Ų | 115.3 | 57% | 0.567 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -85.6 | -13.9 | 179.4 | -79.2 | -36.2 | 0 | 0 | 0 | 113.9 | D265 K270 | D265-D267 PolarHBondContact O-N 3.41Å; D267-K270 WeakPolarHBondContact OD1-CE 3.35Å; D267-K270 IonicContact OD1-NZ 3.11Å; D267-K270 PolarHBondContact OD1-NZ 3.46Å |
| 268 | K | 59.9 | Low | 55.8 | Low | 164 Ų | 164 | 116.3 Ų | 116.3 | 71% | 0.713 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -20.7 | 179.2 | -63.1 | -64.6 | -176.6 | 179.2 | 0 | 113 | D265 | D265-K268 PolarHBondContact O-N 3.5Å; D265-K268 VanDerWaalsContact O-N 3.09Å |
| 269 | A | 53.7 | Low | 54.4 | Low | 57 Ų | 57 | 122.9 Ų | 122.9 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | | | trans | -104.4 | 24.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D265 P271 | D265-A269 PolarHBondContact O-N 2.98Å; A269-P271 WeakPolarHBondContact O-CD 3.31Å |
| 270 | K | 51.7 | Low | 53 | Low | 137 Ų | 137 | 131.2 Ų | 131.2 | 60% | 0.596 | 66% | 0.658 | S | S | * | * | | | trans | -68.7 | 109.3 | 161.3 | -71.7 | 168.6 | -170.3 | 157.8 | 0 | 106.2 | D267 T272 | D267-K270 WeakPolarHBondContact OD1-CE 3.35Å; D267-K270 IonicContact OD1-NZ 3.11Å; D267-K270 PolarHBondContact OD1-NZ 3.46Å; K270-T272 PolarHBondContact O-N 3Å |
| 271 | P | 52.6 | Low | 51.5 | Low | 105 Ų | 105 | 128.4 Ų | 128.4 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | | | trans | -61.4 | 107.5 | 170.6 | 27 | -31.5 | 0 | 0 | 0 | 106 | A269 L273 | A269-P271 WeakPolarHBondContact O-CD 3.31Å; P271-L273 PolarHBondContact O-N 3.44Å |
| 272 | T | 50.4 | Low | 50 | Low | 134 Ų | 134 | 132.4 Ų | 132.4 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | | | trans | -59.1 | 107.9 | 164.2 | 39.3 | 0 | 0 | 0 | 0 | 106.1 | K270 | K270-T272 PolarHBondContact O-N 3Š|
| 273 | L | 47.7 | Very low | 48.2 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | | | trans | 57.5 | 77.9 | 155.7 | -150.6 | 156.6 | 0 | 0 | 0 | 112.7 | P271 D275 | P271-L273 PolarHBondContact O-N 3.44Å; L273-D275 WeakPolarHBondContact CD2-OD1 3.48Å; L273-D275 PolarHBondContact O-N 3.3Å |
| 274 | Q | 42.8 | Very low | 48 | Very low | 180 Ų | 180 | 132 Ų | 132 | 84% | 0.841 | 72% | 0.716 | S | S | * | * | | | trans | -74.3 | 115.4 | 149 | -90.2 | -172.9 | 20.1 | 0 | 0 | 107.3 | C276 | Q274-C276 PolarHBondContact O-N 3.47Š|
| 275 | D | 32.6 | Very low | 46.6 | Very low | 122 Ų | 122 | 129 Ų | 129 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | | | trans | -47.5 | 128.4 | -177.3 | -66.4 | -60.1 | 0 | 0 | 0 | 112.7 | L273 S277 | L273-D275 WeakPolarHBondContact CD2-OD1 3.48Å; L273-D275 PolarHBondContact O-N 3.3Å; D275-S277 PolarHBondContact O-N 3.42Å |
| 276 | C | 32.5 | Very low | 45.1 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 96% | 0.959 | 76% | 0.758 | S | S | * | * | | | trans | -65.7 | 78 | 160.1 | -65.9 | 0 | 0 | 0 | 0 | 109.2 | Q274 | Q274-C276 PolarHBondContact O-N 3.47Š|
| 277 | S | 51.9 | Low | 43.9 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | | | trans | -144.5 | 63.6 | 168.3 | 66 | 0 | 0 | 0 | 0 | 110.7 | D275 | D275-S277 PolarHBondContact O-N 3.42Š|
| 278 | Q | 42 | Very low | 42.7 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | | | trans | -167.9 | 69.9 | 151.6 | -104.6 | 163.3 | 57.3 | 0 | 0 | 109.7 | | |
| 279 | L | 37.7 | Very low | 41.8 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | | | trans | -132.8 | 68.2 | 157.2 | -125.1 | 167.1 | 0 | 0 | 0 | 106.8 | | |
| 280 | R | 38.1 | Very low | 41.4 | Very low | 241 Ų | 241 | 141.4 Ų | 141.4 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -152.8 | 113 | 166.3 | -174.1 | 174.8 | -70.1 | -90.9 | 0.8 | 109.4 | | |
| 281 | G | 36.3 | Very low | 40.8 | Very low | 67 Ų | 67 | 145.3 Ų | 145.3 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | trans | 100.2 | 106 | 149 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 282 | E | 36 | Very low | 40 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | | | trans | 80 | 116.1 | 139.9 | -70.8 | 179.1 | 139 | 0 | 0 | 121.9 | | |
| 283 | G | 30.7 | Very low | 39.8 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | | 91.9 | 130.8 | 121.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 284 | P | 57.4 | Low | 39.5 | Very low | 134 Ų | 134 | 147 Ų | 147 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | | | trans | -93.1 | 116.8 | 177.1 | 34.3 | -26.5 | 0 | 0 | 0 | 111.6 | | |
| 285 | A | 34.3 | Very low | 39.3 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -165.5 | 113.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 286 | R | 38.4 | Very low | 39.7 | Very low | 243 Ų | 243 | 144.7 Ų | 144.7 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | | | trans | 41.3 | 127.4 | 139.4 | -62.1 | -172 | -172.3 | -111.6 | 1.9 | 122.4 | | |
| 287 | A | 35.5 | Very low | 39.9 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | | 88.9 | 133.6 | 127.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 288 | G | 34.1 | Very low | 39.4 | Very low | 73 Ų | 73 | 154.8 Ų | 154.8 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | 110.3 | 86.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 289 | S | 40.6 | Very low | 39.3 | Very low | 102 Ų | 102 | 152.7 Ų | 152.7 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | | | | 66.9 | 111.8 | 74.1 | -155.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 290 | R | 46.7 | Very low | 39.2 | Very low | 219 Ų | 219 | 152.7 Ų | 152.7 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | 72.7 | 109.2 | 146.9 | -64.5 | 170.6 | -168.6 | -97.4 | 3.8 | 120.1 | | |
| 291 | R | 38.2 | Very low | 39.3 | Very low | 219 Ų | 219 | 146.7 Ų | 146.7 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | | -171.7 | 123.8 | 115.2 | -111.9 | 165.5 | -90.3 | -130.3 | -1.2 | 112.4 | | |
| 292 | G | 37 | Very low | 40.1 | Very low | 62 Ų | 62 | 148.9 Ų | 148.9 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 166.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 293 | P | 44.8 | Very low | 40.3 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 129.2 | -168.4 | 30.9 | -32 | 0 | 0 | 0 | 111.3 | | |
| 294 | R | 42.1 | Very low | 40.5 | Very low | 207 Ų | 207 | 150.1 Ų | 150.1 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 133.7 | 177 | -122.4 | -179.3 | -85.6 | -175.2 | -10.2 | 110.3 | | |
| 295 | S | 38.8 | Very low | 39.8 | Very low | 84 Ų | 84 | 151.3 Ų | 151.3 | 59% | 0.587 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 149.6 | 178.3 | 154.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 296 | H | 41.5 | Very low | 40.6 | Very low | 168 Ų | 168 | 152.6 Ų | 152.6 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | | | trans | 54.5 | 122.1 | 144.8 | 15 | -100.2 | 0 | 0 | 0 | 122.1 | | |
| 297 | R | 35.9 | Very low | 40.4 | Very low | 244 Ų | 244 | 148.6 Ų | 148.6 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | | -164.8 | 125.6 | 124.5 | -115.1 | 177.5 | 170 | -154.9 | -3.5 | 113.4 | | |
| 298 | K | 41.9 | Very low | 40.5 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -62.1 | 156.2 | 158.8 | -68.9 | 175.4 | 173.2 | -177.6 | 0 | 109.9 | | |
| 299 | L | 38.6 | Very low | 41.2 | Very low | 152 Ų | 152 | 153.7 Ų | 153.7 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | | | trans | 179.7 | 116.8 | 132.7 | -86.2 | -173.3 | 0 | 0 | 0 | 111.6 | | |
| 300 | Q | 36.2 | Very low | 40.8 | Very low | 181 Ų | 181 | 152.9 Ų | 152.9 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | trans | 43.3 | 146.9 | 147.2 | -65.7 | -172.6 | -11.8 | 0 | 0 | 125.9 | | |
| 301 | P | 41.3 | Very low | 40.4 | Very low | 115 Ų | 115 | 154.6 Ų | 154.6 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | | | trans | -104.1 | -168.8 | 162.4 | 41.6 | -31.1 | 0 | 0 | 0 | 112.4 | | |
| 302 | P | 51.3 | Low | 40.1 | Very low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | | | cis | -122.3 | -170.3 | -46.1 | 36.1 | -16.5 | 0 | 0 | 0 | 112 | | |
| 303 | P | 39.9 | Very low | 40 | Very low | 131 Ų | 131 | 149 Ų | 149 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | | | | -153.3 | 176.2 | 108.2 | 37.5 | -16.7 | 0 | 0 | 0 | 117.5 | | |
| 304 | L | 36.8 | Very low | 39.9 | Very low | 166 Ų | 166 | 152 Ų | 152 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | | | trans | -81.3 | 161.1 | -163.6 | -61 | 158.1 | 0 | 0 | 0 | 116.8 | | |
| 305 | L | 41.6 | Very low | 39.5 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | | | trans | -1.3 | 154.6 | 161.6 | -68.7 | 162 | 0 | 0 | 0 | 122.5 | | |
| 306 | P | 51.1 | Low | 39.3 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 79% | 0.792 | 84% | 0.84 | S | S | * | * | | | | -137.7 | 135.1 | 106.7 | 35.2 | -21.2 | 0 | 0 | 0 | 113.3 | | |
| 307 | D | 35 | Very low | 39.2 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 86% | 0.856 | 85% | 0.846 | S | S | * | * | | | | 54.3 | 128.3 | 96.5 | -160.6 | 27.5 | 0 | 0 | 0 | 116.9 | | |
| 308 | G | 37.7 | Very low | 40 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | | | trans | 171.2 | 106.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 309 | K | 48.3 | Very low | 39.5 | Very low | 212 Ų | 212 | 140.8 Ų | 140.8 | 92% | 0.922 | 83% | 0.831 | S | S | * | * | | | trans | -100.8 | 146.3 | -172.2 | -147.9 | 154.8 | 178.9 | 174.5 | 0 | 109.9 | | |
| 310 | G | 32.3 | Very low | 39.5 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | | | trans | -173.5 | 132.2 | 173 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 311 | R | 38.7 | Very low | 39.7 | Very low | 255 Ų | 255 | 135.4 Ų | 135.4 | 96% | 0.962 | 83% | 0.826 | S | S | * | * | | | trans | -103.2 | 164 | -161.1 | -129.3 | 178.8 | -176.1 | -93.2 | 3.3 | 113.1 | | |
| 312 | G | 31.5 | Very low | 39.9 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | | | trans | 110.6 | 135.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 313 | G | 34.5 | Very low | 39.1 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | | | cis | -171.2 | 171.4 | 10.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 314 | Q | 43 | Very low | 39.2 | Very low | 201 Ų | 201 | 134.7 Ų | 134.7 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | | | trans | -107.4 | 157.3 | -173.2 | -65.9 | -148 | -38.4 | 0 | 0 | 114.2 | | |
| 315 | A | 34.3 | Very low | 39.4 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | 175.4 | 111.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 316 | S | 33.3 | Very low | 39.3 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | | | | 61.7 | 95.1 | 87.9 | -150.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 317 | R | 40.6 | Very low | 39.1 | Very low | 235 Ų | 235 | 132.7 Ų | 132.7 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | | | | 67 | 159 | 100.5 | -105.1 | -163.1 | 172.6 | -164.3 | -1.2 | 115.1 | | |
| 318 | P | 51.4 | Low | 39.6 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 70% | 0.695 | 83% | 0.832 | S | S | * | * | | | cis | -139.3 | 166.6 | 15.2 | 40.7 | -20.1 | 0 | 0 | 0 | 117 | | |
| 319 | S | 32.1 | Very low | 40.3 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | | | | 110.5 | 118.2 | 114.8 | -143.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 320 | V | 39.5 | Very low | 40.1 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 80% | 0.8 | 83% | 0.83 | S | S | * | * | | | | -168.3 | 141.6 | 64.6 | 165.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 321 | A | 38.9 | Very low | 40.9 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 74% | 0.736 | 83% | 0.832 | S | S | * | * | | | trans | -104.9 | 157 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 322 | P | 45.9 | Very low | 41.7 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | | | | -147.8 | 160.4 | 81.9 | 35.9 | -17.2 | 0 | 0 | 0 | 116.7 | | |
| 323 | A | 35.5 | Very low | 42.8 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | | | trans | 59.8 | 127.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 324 | T | 40.8 | Very low | 43.7 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | | | | -166.9 | 140.2 | 53.9 | 43.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 325 | G | 41 | Very low | 44.2 | Very low | 83 Ų | 83 | 140 Ų | 140 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | 76.2 | 101.7 | 131.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 326 | S | 39.5 | Very low | 45.1 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | -71.5 | 136.7 | 167.7 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 327 | K | 47.9 | Very low | 45.8 | Very low | 207 Ų | 207 | 144.3 Ų | 144.3 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | | | trans | -151.4 | 75.4 | 148.7 | -73.3 | -160.3 | -179.7 | 173.4 | 0 | 111.6 | | |
| 328 | A | 45.3 | Very low | 45.9 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | | | trans | -96.5 | 91.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 329 | R | 52.4 | Low | 45.9 | Very low | 241 Ų | 241 | 143.5 Ų | 143.5 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | | | trans | -112 | 139 | 164.3 | -64.7 | -89.5 | -159.6 | -141.2 | 2.2 | 105.2 | | |
| 330 | G | 43.1 | Very low | 46.3 | Very low | 73 Ų | 73 | 147.5 Ų | 147.5 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | | | cis | -154.7 | 146 | 7.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 331 | K | 49.5 | Very low | 46.4 | Very low | 209 Ų | 209 | 153.2 Ų | 153.2 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | | | trans | -99.6 | 101.4 | 175.3 | 173.1 | 158.3 | 164 | 177.3 | 0 | 105.7 | | |
| 332 | E | 55.2 | Low | 46.5 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | | | trans | -138.3 | 61.2 | 168.1 | 59.1 | -175.7 | -146.6 | 0 | 0 | 110.4 | | |
| 333 | R | 54.9 | Low | 46.3 | Very low | 214 Ų | 214 | 157.8 Ų | 157.8 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | | | trans | -76.3 | 128.9 | 148.6 | -70.4 | 175.7 | 61.2 | 90.7 | -1.1 | 106.6 | | |
| 334 | L | 53.3 | Low | 46.6 | Very low | 148 Ų | 148 | 162.5 Ų | 162.5 | 78% | 0.775 | 83% | 0.833 | S | S | * | * | | | trans | 78.1 | 83.2 | 156.1 | -50.4 | 166.7 | 0 | 0 | 0 | 116.9 | | |
| 335 | T | 53.9 | Low | 46.6 | Very low | 125 Ų | 125 | 163.3 Ų | 163.3 | 77% | 0.767 | 83% | 0.828 | S | S | * | * | | | | -132.2 | 107.6 | 128 | 27.5 | 0 | 0 | 0 | 0 | 107.6 | R337 | T335-R337 PolarHBondContact O-N 2.93Š|
| 336 | G | 52.9 | Low | 46.6 | Very low | 91 Ų | 91 | 167.5 Ų | 167.5 | 94% | 0.938 | 83% | 0.831 | S | S | * | * | | | trans | -66.4 | 71.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 337 | R | 47.6 | Very low | 46.7 | Very low | 210 Ų | 210 | 171.2 Ų | 171.2 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | | | trans | -105 | 105 | 161.5 | -82.2 | -173.9 | 179.3 | -123.8 | -0.5 | 106.7 | T335 R339 | T335-R337 PolarHBondContact O-N 2.93Å; R337-R339 PolarHBondContact O-N 3.32Å |
| 338 | A | 42.9 | Very low | 46.7 | Very low | 88 Ų | 88 | 169 Ų | 169 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | | | trans | -42.3 | 123.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | R340 | A338-R340 PolarHBondContact O-N 3.26Š|
| 339 | R | 51.6 | Low | 46.5 | Very low | 236 Ų | 236 | 172.9 Ų | 172.9 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | | | trans | -63.9 | 105.5 | 161.4 | -69.6 | -178.1 | 179.7 | -116.9 | 0.4 | 105.5 | R337 W341 | R337-R339 PolarHBondContact O-N 3.32Å; R339-W341 PolarHBondContact O-N 2.99Å |
| 340 | R | 40.7 | Very low | 45.8 | Very low | 195 Ų | 195 | 170 Ų | 170 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | | | trans | -61.4 | 125.8 | 161.2 | -72.6 | -171.6 | -74.8 | -97 | 5.2 | 106 | A338 D342 | A338-R340 PolarHBondContact O-N 3.26Å; R340-D342 VanDerWaalsContact C-N 3.29Å; R340-D342 PolarHBondContact O-N 3.11Å; R340-D342 VanDerWaalsContact O-N 3.09Å |
| 341 | W | 41.9 | Very low | 45.5 | Very low | 252 Ų | 252 | 175.4 Ų | 175.4 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | | | trans | -68 | 98.1 | 159.9 | -74 | 97.2 | 0 | 0 | 0 | 105.7 | R339 | R339-W341 PolarHBondContact O-N 2.99Š|
| 342 | D | 40.8 | Very low | 44.9 | Very low | 134 Ų | 134 | 171.3 Ų | 171.3 | 72% | 0.717 | 83% | 0.83 | S | S | * | * | | | trans | -82 | 125.3 | 168.7 | -98.6 | -45.7 | 0 | 0 | 0 | 108.3 | R340 K344 | R340-D342 VanDerWaalsContact C-N 3.29Å; R340-D342 PolarHBondContact O-N 3.11Å; R340-D342 VanDerWaalsContact O-N 3.09Å; D342-K344 PolarHBondContact O-N 2.71Å |
| 343 | M | 41.8 | Very low | 43.9 | Very low | 172 Ų | 172 | 171.5 Ų | 171.5 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | | | trans | -82.5 | 90.5 | 168.6 | -71.4 | -101.5 | 68 | 0 | 0 | 108 | | |
| 344 | K | 41 | Very low | 42.9 | Very low | 187 Ų | 187 | 171 Ų | 171 | 81% | 0.813 | 84% | 0.837 | S | S | * | * | | | trans | -164.9 | 102 | 166.6 | -144.4 | 92.3 | 177.5 | -174.3 | 0 | 110.5 | D342 | D342-K344 PolarHBondContact O-N 2.71Š|
| 345 | E | 40.8 | Very low | 41.8 | Very low | 154 Ų | 154 | 166.6 Ų | 166.6 | 72% | 0.72 | 83% | 0.828 | S | S | * | * | | | trans | 179 | 56.3 | 135.1 | -101.8 | 163.9 | -161.3 | 0 | 0 | 110 | K347 | E345-K347 PolarHBondContact O-N 3.26Š|
| 346 | D | 41.4 | Very low | 41 | Very low | 171 Ų | 171 | 165.8 Ų | 165.8 | 91% | 0.914 | 83% | 0.828 | S | S | * | * | | | trans | -85 | 66.2 | 153.3 | -63.2 | -41.8 | 0 | 0 | 0 | 107.3 | | |
| 347 | K | 42.5 | Very low | 40.1 | Very low | 192 Ų | 192 | 170 Ų | 170 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -159.8 | 27.8 | 172.1 | -147.5 | -173.6 | 171.3 | -178.5 | 0 | 114.6 | E345 | E345-K347 PolarHBondContact O-N 3.26Š|
| 348 | E | 47.5 | Very low | 39.2 | Very low | 159 Ų | 159 | 165.2 Ų | 165.2 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -145.6 | 56.1 | 175.6 | -59.4 | -168.5 | -155.9 | 0 | 0 | 111.2 | | |
| 349 | E | 40.8 | Very low | 38.6 | Very low | 191 Ų | 191 | 167.6 Ų | 167.6 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -151.3 | 30.1 | 165.2 | -144.8 | 175.5 | -169.8 | 0 | 0 | 113 | | |
| 350 | L | 38.2 | Very low | 37.6 | Very low | 181 Ų | 181 | 167.3 Ų | 167.3 | 95% | 0.948 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -123.7 | 44.6 | 174 | -72.3 | -179.2 | 0 | 0 | 0 | 112 | | |
| 351 | E | 36.2 | Very low | 37.2 | Very low | 187 Ų | 187 | 166.8 Ų | 166.8 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -154.3 | 58.1 | 170 | -159.5 | 169.6 | 24 | 0 | 0 | 110.7 | | |
| 352 | S | 37.5 | Very low | 36.7 | Very low | 123 Ų | 123 | 160.1 Ų | 160.1 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -164.2 | 95.1 | 159.4 | -79 | 0 | 0 | 0 | 0 | 108.7 | | |
| 353 | Q | 34.6 | Very low | 36.8 | Very low | 191 Ų | 191 | 159.9 Ų | 159.9 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | | | trans | 136.3 | 65.9 | 151.1 | -158.6 | 168.4 | 37.2 | 0 | 0 | 111.6 | G355 | Q353-G355 PolarHBondContact O-N 2.76Š|
| 354 | E | 33.9 | Very low | 36 | Very low | 203 Ų | 203 | 157.3 Ų | 157.3 | 95% | 0.949 | 83% | 0.825 | S | S | * | * | | | trans | -63.2 | 120.1 | 152.4 | -164.8 | 173.9 | -178.3 | 0 | 0 | 108.1 | | |
| 355 | G | 29.1 | Very low | 35.9 | Very low | 57 Ų | 57 | 157.2 Ų | 157.2 | 59% | 0.588 | 83% | 0.827 | S | S | * | * | | | trans | 161.9 | 56.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q353 | Q353-G355 PolarHBondContact O-N 2.76Š|
| 356 | S | 37.8 | Very low | 35.5 | Very low | 108 Ų | 108 | 159 Ų | 159 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | | | trans | 58.6 | 136.4 | 140.1 | -55.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 357 | Q | 34 | Very low | 35.1 | Very low | 178 Ų | 178 | 158.9 Ų | 158.9 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | | | cis | -168.3 | 125.3 | 8 | -101.7 | 163 | -18.9 | 0 | 0 | 104.2 | | |
| 358 | S | 28.9 | Very low | 34.5 | Very low | 111 Ų | 111 | 158.5 Ų | 158.5 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | | | | 55.1 | 99.2 | 97.3 | -170.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 359 | T | 30.5 | Very low | 33.8 | Very low | 138 Ų | 138 | 154.8 Ų | 154.8 | 85% | 0.847 | 83% | 0.827 | S | S | * | * | | | | -161.2 | 106.7 | 125.2 | 43.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 360 | R | 30.6 | Very low | 33.4 | Very low | 230 Ų | 230 | 153.5 Ų | 153.5 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | | | trans | -118.2 | 104.8 | 165.8 | -173.6 | -177.7 | -176 | 176.1 | 0.9 | 105.9 | | |
| 361 | E | 31.8 | Very low | 33.3 | Very low | 183 Ų | 183 | 153.4 Ų | 153.4 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | | | trans | -93.1 | 131.5 | 169.9 | -72.4 | -89.5 | 133.4 | 0 | 0 | 108 | | |
| 362 | T | 30 | Very low | 33.1 | Very low | 112 Ų | 112 | 152.5 Ų | 152.5 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | | | trans | -135.2 | 157.7 | 165.1 | 37.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 363 | P | 43 | Very low | 33 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | | | | -90.1 | 154.6 | -129.7 | 36.7 | -36.3 | 0 | 0 | 0 | 113.5 | | |
| 364 | S | 26.5 | Very low | 32.7 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -119.3 | 121 | 167.4 | -166.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 365 | E | 37.5 | Very low | 32.9 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -68.5 | 131.1 | 152.5 | -68.2 | 168 | 133.3 | 0 | 0 | 107.6 | | |
| 366 | E | 32.7 | Very low | 33.1 | Very low | 191 Ų | 191 | 151.9 Ų | 151.9 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | | | | -175 | 149.8 | 123.1 | -133.5 | 178.6 | 157.6 | 0 | 0 | 110.8 | | |
| 367 | E | 34.4 | Very low | 32.9 | Very low | 168 Ų | 168 | 154.9 Ų | 154.9 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | -75.3 | 147.2 | -170.7 | -169.5 | -176 | 135.9 | 0 | 0 | 112.9 | | |
| 368 | Q | 29.8 | Very low | 32.6 | Very low | 184 Ų | 184 | 150.4 Ų | 150.4 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -179.8 | 102.4 | 136.9 | -97.4 | 163.9 | 54.9 | 0 | 0 | 113.7 | | |
| 369 | A | 32 | Very low | 32.7 | Very low | 82 Ų | 82 | 156 Ų | 156 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | | | | 38.2 | 120.7 | 127.2 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 370 | Q | 32.9 | Very low | 33 | Very low | 163 Ų | 163 | 157.9 Ų | 157.9 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | | | | 81.6 | 111.8 | 115.9 | -165.6 | 178.4 | -33.3 | 0 | 0 | 120.2 | | |
| 371 | K | 34.8 | Very low | 32.8 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 78% | 0.778 | 82% | 0.817 | S | S | * | * | | | | 171.1 | 110.2 | 126.9 | -90.4 | 160.6 | -170.7 | -175.5 | 0 | 108.7 | | |
| 372 | Q | 33.5 | Very low | 32.7 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | | | | 74.5 | 131.5 | 83.7 | -80.2 | -164.3 | -43.4 | 0 | 0 | 115.9 | | |
| 373 | S | 34.8 | Very low | 32.8 | Very low | 131 Ų | 131 | 147 Ų | 147 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | | | trans | 84.3 | 137.8 | 163 | 79.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 374 | G | 28.7 | Very low | 33 | Very low | 76 Ų | 76 | 146.7 Ų | 146.7 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | cis | -156.4 | 158.5 | 12.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 375 | M | 38.1 | Very low | 33 | Very low | 185 Ų | 185 | 146 Ų | 146 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | | | trans | -94.8 | 157.2 | -173.9 | -56.9 | 165.4 | 71 | 0 | 0 | 111.9 | | |
| 376 | E | 32 | Very low | 32.4 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | | | trans | -176.2 | 152.8 | 136.2 | -104.7 | -153.3 | 117.4 | 0 | 0 | 108.4 | | |
| 377 | Q | 34.8 | Very low | 32.5 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | cis | -173.3 | 147.3 | -28.8 | -120.1 | -179 | 61.8 | 0 | 0 | 104.1 | | |
| 378 | G | 27.1 | Very low | 33.4 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | trans | 176.1 | 78.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 379 | R | 32 | Very low | 33.2 | Very low | 230 Ų | 230 | 132 Ų | 132 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | | | trans | -102.1 | 131.5 | 179.3 | 164.5 | -167.3 | -99 | -93.6 | 2.8 | 110.2 | | |
| 380 | L | 35.1 | Very low | 33 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | | | trans | -153.9 | 114.8 | 145.5 | -69.9 | -178.5 | 0 | 0 | 0 | 105.7 | | |
| 381 | G | 28 | Very low | 32.8 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 83% | 0.832 | S | S | * | * | | | | 80.6 | 125.7 | 80.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 382 | S | 29.5 | Very low | 32.6 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | | | cis | -166.1 | 172.1 | 24.4 | -73.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 383 | A | 32 | Very low | 33.7 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | | | trans | -72.2 | 178 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 384 | P | 46.1 | Very low | 33.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | | | trans | -99.2 | 160.2 | -174.2 | 38.1 | -29.4 | 0 | 0 | 0 | 114.7 | | |
| 385 | A | 27.5 | Very low | 33.4 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | | | trans | 143.4 | 127.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 386 | A | 25.3 | Very low | 33.9 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | | | trans | -172.8 | 121.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 387 | S | 34.8 | Very low | 33.9 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | trans | -83.4 | 167.6 | 164.4 | -46.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 388 | P | 53.3 | Low | 33.8 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | | | | -148 | 143.1 | 80.6 | 32.9 | -11.1 | 0 | 0 | 0 | 114.5 | | |
| 389 | A | 24.3 | Very low | 34.2 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | | | | 90.8 | 133.2 | 84.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 390 | L | 29.5 | Very low | 34.3 | Very low | 177 Ų | 177 | 124 Ų | 124 | 93% | 0.927 | 82% | 0.82 | S | S | * | * | | | trans | 80.4 | 110.7 | 154.7 | -71.1 | 158.2 | 0 | 0 | 0 | 121.1 | | |
| 391 | A | 27.9 | Very low | 34.3 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | | | | -177.5 | 120.7 | 109.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 392 | S | 31.2 | Very low | 34.4 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | | | trans | -91.1 | 159 | 155.3 | -80.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 393 | P | 55.3 | Low | 34.6 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | | -132.9 | 134.7 | 107.9 | 24.4 | -6.7 | 0 | 0 | 0 | 111 | | |
| 394 | E | 27.1 | Very low | 34.5 | Very low | 192 Ų | 192 | 123.9 Ų | 123.9 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | | 83.8 | 123.8 | 84.6 | -151.6 | 151.2 | 160.8 | 0 | 0 | 112.3 | | |
| 395 | G | 30 | Very low | 33.7 | Very low | 72 Ų | 72 | 123.2 Ų | 123.2 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | trans | -86 | -138.5 | -158.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 396 | P | 50.1 | Low | 33.9 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | | | cis | -137.3 | 178.6 | -9.6 | 39.3 | -20.2 | 0 | 0 | 0 | 115.5 | | |
| 397 | K | 31 | Very low | 34.2 | Very low | 215 Ų | 215 | 123.6 Ų | 123.6 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | | | trans | 60.5 | 120.9 | 147 | -103.5 | 177.4 | 174.9 | 179 | 0 | 121.2 | | |
| 398 | G | 32.2 | Very low | 33.9 | Very low | 62 Ų | 62 | 124.7 Ų | 124.7 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | | | trans | 165.5 | 88.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 399 | E | 35.5 | Very low | 33.2 | Very low | 184 Ų | 184 | 124.5 Ų | 124.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | 67 | 113.6 | 135.1 | -20.8 | -169.5 | -174.5 | 0 | 0 | 122 | | |
| 400 | S | 35.8 | Very low | 33.3 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | 54.4 | 126.3 | 135.4 | -49.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 401 | V | 34 | Very low | 33.3 | Very low | 148 Ų | 148 | 123 Ų | 123 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | | -162.8 | 149.4 | 51.7 | 169.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 402 | A | 29.7 | Very low | 34 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 65% | 0.653 | 81% | 0.805 | S | S | * | * | | | trans | -82.2 | 158.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 403 | S | 33.6 | Very low | 34 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | 68.7 | 136.8 | 143 | -66.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 404 | T | 29.5 | Very low | 32.8 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | | | cis | -171.5 | 136.3 | 24.1 | 22 | 0 | 0 | 0 | 0 | 106.6 | | |
| 405 | A | 30.3 | Very low | 33.6 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -137.7 | 114.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 406 | S | 30.5 | Very low | 33.8 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -141.5 | 117.6 | 178 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 407 | S | 32.9 | Very low | 33.3 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | 69.3 | 115.4 | 133.7 | -44 | 0 | 0 | 0 | 0 | 120.9 | | |
| 408 | V | 29.1 | Very low | 33.6 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -73.2 | 143.2 | 158.2 | 174.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 409 | P | 38.7 | Very low | 34.7 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | trans | -100.7 | 147.4 | -176.3 | 37.1 | -29.9 | 0 | 0 | 0 | 112.5 | | |
| 410 | C | 24.6 | Very low | 34.6 | Very low | 123 Ų | 123 | 129 Ų | 129 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | trans | -174.9 | 120.9 | 136.3 | -153.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 411 | S | 31.4 | Very low | 34.6 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | 152.9 | 136 | 137 | -67.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 412 | P | 42.5 | Very low | 34.9 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | trans | -127.1 | 164.7 | 144.6 | 26.8 | -8.6 | 0 | 0 | 0 | 113 | | |
| 413 | Q | 30.1 | Very low | 35.4 | Very low | 190 Ų | 190 | 130.6 Ų | 130.6 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | | | trans | -105.7 | 144.1 | -149.9 | -170.8 | 175.3 | 16.1 | 0 | 0 | 112.3 | | |
| 414 | E | 31.3 | Very low | 35.6 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | trans | -94.8 | 153.4 | 166.3 | -97.6 | -92.1 | 144.5 | 0 | 0 | 110.4 | | |
| 415 | P | 42.9 | Very low | 35.7 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | | | trans | -138 | 134.7 | 137.3 | 34.5 | -19.7 | 0 | 0 | 0 | 114.7 | | |
| 416 | D | 33.4 | Very low | 36 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | trans | -101.8 | 146.7 | 177.6 | -170.4 | 14.5 | 0 | 0 | 0 | 111.7 | | |
| 417 | L | 40.1 | Very low | 36.1 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | | | trans | -130.5 | 123.4 | 168.8 | -71.8 | 179.8 | 0 | 0 | 0 | 108.8 | | |
| 418 | A | 38.3 | Very low | 36 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | trans | -78 | -157.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 419 | P | 53.7 | Low | 36.5 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | | -130.1 | 169.1 | -58.4 | 30.9 | -14 | 0 | 0 | 0 | 112.9 | | |
| 420 | L | 33.3 | Very low | 37.1 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 96% | 0.963 | 82% | 0.815 | S | S | * | * | | | trans | -166.1 | 164.1 | 151.2 | -85.7 | -163 | 0 | 0 | 0 | 113.6 | | |
| 421 | D | 36.4 | Very low | 37.4 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | -130.1 | 161.1 | -138.9 | -166.6 | 22.3 | 0 | 0 | 0 | 115.3 | | |
| 422 | L | 40.8 | Very low | 38.1 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | | | trans | 36.7 | 137.4 | 166.5 | -47.7 | -177.7 | 0 | 0 | 0 | 125.5 | | |
| 423 | S | 39.8 | Very low | 37.5 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | | | | 174.8 | 125.6 | 99.9 | -80.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 424 | L | 38 | Very low | 37.9 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | 62.1 | 127.1 | 130.2 | -58.9 | 170.8 | 0 | 0 | 0 | 124.3 | | |
| 425 | G | 31.4 | Very low | 38 | Very low | 84 Ų | 84 | 126.6 Ų | 126.6 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | trans | 127.9 | 109.3 | 131 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 426 | G | 36.3 | Very low | 37.3 | Very low | 83 Ų | 83 | 126.9 Ų | 126.9 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | -117.1 | 162.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 427 | A | 34.2 | Very low | 37 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | | | trans | 146.8 | 140.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 428 | G | 30.7 | Very low | 36.4 | Very low | 77 Ų | 77 | 123.4 Ų | 123.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | cis | 146.9 | 123.8 | 20.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 429 | I | 38 | Very low | 36.2 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -59.6 | 153.3 | -176.5 | -59.5 | 165.4 | 0 | 0 | 0 | 110.9 | | |
| 430 | P | 51.5 | Low | 35.1 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | | -155.3 | 167.7 | 57.1 | 39.9 | -15.8 | 0 | 0 | 0 | 120.3 | | |
| 431 | G | 30.9 | Very low | 34.9 | Very low | 66 Ų | 66 | 126.4 Ų | 126.4 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | -75.7 | -164.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 432 | P | 47.6 | Very low | 34.6 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | cis | -132.8 | 168.9 | -3.7 | 40.7 | -24.2 | 0 | 0 | 0 | 114.3 | | |
| 433 | R | 29.6 | Very low | 34.9 | Very low | 210 Ų | 210 | 129.7 Ų | 129.7 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | | | trans | 164.2 | 145.1 | 138.9 | -100.2 | 178.9 | 162.6 | -80.2 | -5.4 | 115.4 | | |
| 434 | E | 38 | Very low | 34.2 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | trans | -31.4 | 143.7 | 163.7 | -58.4 | 139.3 | -158.7 | 0 | 0 | 118.4 | | |
| 435 | S | 32.8 | Very low | 33.8 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | | 147.7 | 143.5 | 110.7 | 68.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 436 | T | 27.7 | Very low | 33.7 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | 91.4 | 131.9 | 146.1 | -22.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 437 | C | 26.9 | Very low | 33.4 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | | | trans | -86.9 | -178.9 | -167.2 | -54 | 0 | 0 | 0 | 0 | 114.5 | | |
| 438 | V | 29.4 | Very low | 33.2 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | 87.8 | 107.2 | 148.9 | -135.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 439 | L | 32.8 | Very low | 34.1 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | | 173.1 | 136.1 | 89.6 | -89.4 | 172 | 0 | 0 | 0 | 111.7 | | |
| 440 | S | 29.9 | Very low | 33.6 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | | | trans | -65.8 | 147.6 | 174.8 | -34.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 441 | L | 30.1 | Very low | 32.5 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 95% | 0.948 | 77% | 0.77 | S | S | * | * | | | trans | -154.2 | 111.3 | 142.1 | -77.5 | -176.9 | 0 | 0 | 0 | 110.8 | | |
| 442 | R | 30.5 | Very low | 32.3 | Very low | 226 Ų | 226 | 138.7 Ų | 138.7 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | -97.7 | 169.6 | 145.3 | -133.5 | -149.7 | 167.2 | -173.9 | -1.1 | 105.5 | | |
| 443 | P | 45.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | cis | -151.6 | 176.5 | 25.7 | 38.4 | -14.5 | 0 | 0 | 0 | 119.2 | | |
| 444 | G | 26.1 | Very low | 32.1 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | 95.8 | 153.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 445 | A | 30.6 | Very low | 31.6 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | | | cis | -176.3 | 166 | -16.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 446 | Q | 28.5 | Very low | 31.7 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | 74.9 | 144.1 | 173.5 | -72.4 | -160.4 | -9.8 | 0 | 0 | 117.4 | | |
| 447 | E | 30.1 | Very low | 32 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | cis | -163.7 | 159.3 | 7.7 | -116.1 | 168.4 | -175.3 | 0 | 0 | 108.3 | | |
| 448 | S | 28.6 | Very low | 32.2 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -107 | 155.8 | 173 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 449 | P | 49.6 | Very low | 32.3 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | | -157.4 | 161.8 | 90.5 | 37.8 | -15.9 | 0 | 0 | 0 | 118.8 | | |
| 450 | V | 27.9 | Very low | 33 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | 76.4 | 137.9 | 138.9 | 159.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 451 | S | 29.9 | Very low | 33 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | cis | -169.1 | 161.1 | 2.3 | -85.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 452 | W | 26.7 | Very low | 32.8 | Very low | 230 Ų | 230 | 137 Ų | 137 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | | | trans | -76.9 | 166.5 | 167.9 | -74 | 88.8 | 0 | 0 | 0 | 113.6 | | |
| 453 | P | 46 | Very low | 32.7 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | | -140.7 | 149.6 | 91.8 | 32.4 | -13.8 | 0 | 0 | 0 | 113 | | |
| 454 | E | 25.5 | Very low | 32.3 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | | 65.6 | 120.6 | 59.8 | -156.2 | 79.4 | -135.2 | 0 | 0 | 114.6 | | |
| 455 | G | 29 | Very low | 32.6 | Very low | 75 Ų | 75 | 141.9 Ų | 141.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | 138.3 | 110.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 456 | S | 34.9 | Very low | 32.9 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -70.1 | 167.7 | -176.3 | -53.4 | 0 | 0 | 0 | 0 | 119 | | |
| 457 | E | 33.5 | Very low | 33.1 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | | 135.3 | 123 | 128.6 | -69.7 | -164.5 | 155.3 | 0 | 0 | 115.1 | | |
| 458 | Q | 32 | Very low | 33.3 | Very low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | | 156.8 | 109.5 | 128.8 | -81.2 | 151.1 | 35.5 | 0 | 0 | 113.4 | | |
| 459 | Q | 30.3 | Very low | 33.3 | Very low | 182 Ų | 182 | 147 Ų | 147 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | -86.3 | 166.8 | 143.3 | -122.1 | -168.9 | -31.1 | 0 | 0 | 107.2 | | |
| 460 | P | 47.8 | Very low | 32.6 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | | | cis | -156.2 | -174.8 | 43.9 | 41 | -17 | 0 | 0 | 0 | 118.2 | | |
| 461 | L | 30.1 | Very low | 32.6 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | 91.9 | 118 | 150.5 | -104.6 | 77.5 | 0 | 0 | 0 | 121.2 | | |
| 462 | G | 26 | Very low | 32.9 | Very low | 77 Ų | 77 | 150.7 Ų | 150.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | 172 | 61.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 463 | W | 28.7 | Very low | 33 | Very low | 230 Ų | 230 | 147.8 Ų | 147.8 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | | | trans | -74 | 144.5 | 169.7 | -75.9 | -29.2 | 0 | 0 | 0 | 111.5 | | |
| 464 | N | 36.3 | Very low | 32.2 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | | -160.4 | 129.5 | 115.6 | -87.4 | -50.6 | 0 | 0 | 0 | 111.4 | | |
| 465 | D | 33 | Very low | 32.6 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | trans | -76.2 | 155.6 | 172 | -76 | -53 | 0 | 0 | 0 | 113.1 | | |
| 466 | H | 37.4 | Very low | 33.3 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | | -150.2 | 106.4 | 124 | -67.7 | -58.7 | 0 | 0 | 0 | 106.3 | | |
| 467 | Q | 31.7 | Very low | 33.2 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | | 53.3 | 131.6 | 88 | -81.6 | -160.9 | 11.8 | 0 | 0 | 113.6 | | |
| 468 | T | 35.4 | Very low | 33.8 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 64% | 0.644 | 79% | 0.786 | S | S | * | * | | | cis | -173.6 | 143.5 | 6.2 | -63.3 | 0 | 0 | 0 | 0 | 103.7 | | |
| 469 | E | 28.2 | Very low | 33.7 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | | 163.7 | 117.7 | 82 | -149.2 | 163 | 156.3 | 0 | 0 | 104.8 | | |
| 470 | L | 34.5 | Very low | 33.9 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | | 40 | 130 | 101.4 | -126.2 | 72.4 | 0 | 0 | 0 | 113.6 | | |
| 471 | E | 27.9 | Very low | 33 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | cis | -176.7 | 149.4 | 46.9 | -160.6 | 167.2 | -140.2 | 0 | 0 | 110.2 | | |
| 472 | V | 36.6 | Very low | 33.2 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -84 | 128 | 172.9 | 171 | 0 | 0 | 0 | 0 | 108.9 | | |
| 473 | Q | 28.6 | Very low | 33.2 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -133.5 | 122 | 164.3 | -82.7 | -179.2 | 21.5 | 0 | 0 | 112.6 | | |
| 474 | T | 29.2 | Very low | 33.4 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -67.5 | 153.3 | 173.5 | -57 | 0 | 0 | 0 | 0 | 112.1 | | |
| 475 | C | 34.3 | Very low | 33.7 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | -48.7 | 171.4 | -173.9 | -48.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 476 | P | 42.7 | Very low | 33.9 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | | -145 | 152.1 | 110 | 35.6 | -19.2 | 0 | 0 | 0 | 117.5 | | |
| 477 | E | 33.4 | Very low | 34.5 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -53.6 | 155.4 | 154.6 | 177.7 | -179.7 | 162.9 | 0 | 0 | 112.8 | | |
| 478 | P | 45.2 | Very low | 34.4 | Very low | 127 Ų | 127 | 138 Ų | 138 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -126.3 | 135.4 | 149.8 | 33.9 | -20.9 | 0 | 0 | 0 | 113 | | |
| 479 | Q | 31.4 | Very low | 34.8 | Very low | 136 Ų | 136 | 142 Ų | 142 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | trans | -104.3 | 141.3 | 173.6 | -150 | -170.5 | 96.7 | 0 | 0 | 110.4 | | |
| 480 | R | 34 | Very low | 35 | Very low | 226 Ų | 226 | 141.4 Ų | 141.4 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 91 | 125.3 | 143.4 | -161.9 | 179.1 | -79.8 | -111 | 1.7 | 119.4 | | |
| 481 | G | 28.5 | Very low | 35.1 | Very low | 69 Ų | 69 | 145.2 Ų | 145.2 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 154.6 | 86.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 482 | A | 34 | Very low | 35.6 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 93% | 0.934 | 80% | 0.798 | S | S | * | * | | | trans | 35.1 | 130.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 483 | G | 26.5 | Very low | 35.4 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | 143.8 | 104.2 | 146.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 484 | L | 32.4 | Very low | 36 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | | | trans | -72.8 | 136.5 | 153.3 | -178.7 | 61.5 | 0 | 0 | 0 | 107 | | |
| 485 | P | 42.4 | Very low | 36.2 | Very low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | | -153.5 | 150 | 83 | 42.9 | -22.3 | 0 | 0 | 0 | 117.9 | | |
| 486 | E | 37.8 | Very low | 36.1 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | -52.9 | 161.8 | 145.4 | -77.7 | -80.8 | 161.8 | 0 | 0 | 109.5 | | |
| 487 | P | 49.8 | Very low | 36.1 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | | | cis | -144.9 | -180 | 24.6 | 29.2 | -3.3 | 0 | 0 | 0 | 114.2 | | |
| 488 | R | 30.1 | Very low | 36.5 | Very low | 219 Ų | 219 | 139.3 Ų | 139.3 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | | 159.2 | 126.6 | 117.8 | -88.5 | -175.8 | 175.5 | -115.9 | -0.5 | 112.9 | | |
| 489 | E | 43.3 | Very low | 36 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -56.4 | 133.4 | 154.3 | -62.3 | 162 | 127.4 | 0 | 0 | 109.7 | | |
| 490 | D | 33.2 | Very low | 36.1 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | | | trans | -136 | 134.3 | 152.7 | -109.5 | -28.8 | 0 | 0 | 0 | 111.8 | | |
| 491 | R | 36.3 | Very low | 36.3 | Very low | 227 Ų | 227 | 136.3 Ų | 136.3 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | | | trans | -80.9 | 167.7 | -174.5 | -75.7 | 178.6 | 172.9 | -161.4 | -0.9 | 111.8 | | |
| 492 | S | 38.3 | Very low | 36.5 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | | | trans | 84.4 | 147.4 | 144.4 | 81.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 493 | G | 31.3 | Very low | 36.7 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | | | cis | -146.2 | 148.8 | 7.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 494 | K | 42.5 | Very low | 37.2 | Very low | 212 Ų | 212 | 148 Ų | 148 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | | | | 78.3 | 110.8 | 89.6 | -120.3 | 179.4 | -173.9 | -179.6 | 0 | 115 | | |
| 495 | A | 33.8 | Very low | 37.5 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | 75.9 | 112.9 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 496 | G | 32.1 | Very low | 37.5 | Very low | 84 Ų | 84 | 150.6 Ų | 150.6 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | | | trans | -153.6 | 99.1 | 151 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 497 | A | 41.8 | Very low | 38.2 | Very low | 93 Ų | 93 | 148.7 Ų | 148.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | trans | -90.1 | 143.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 498 | Q | 40.8 | Very low | 38.7 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 72% | 0.724 | 82% | 0.823 | S | S | * | * | | | | 156.2 | 122 | 129 | -72.2 | -108.5 | 24.5 | 0 | 0 | 110.5 | | |
| 499 | Q | 36.3 | Very low | 39 | Very low | 178 Ų | 178 | 151 Ų | 151 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | | | trans | 61.7 | 130.2 | 145.2 | -53.1 | 178.9 | 47.8 | 0 | 0 | 117.7 | | |
| 500 | G | 33.1 | Very low | 38.6 | Very low | 69 Ų | 69 | 145.8 Ų | 145.8 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | | | cis | 146.6 | 139.3 | 20.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 501 | L | 37.5 | Very low | 39 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 94% | 0.937 | 83% | 0.828 | S | S | * | * | | | trans | 163.1 | 104.1 | 148.5 | -84.5 | 173.8 | 0 | 0 | 0 | 111.5 | | |
| 502 | A | 32.7 | Very low | 38.8 | Very low | 89 Ų | 89 | 137.4 Ų | 137.4 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | | | trans | 19.5 | 124 | 150.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 503 | L | 38.8 | Very low | 39 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 97% | 0.969 | 83% | 0.832 | S | S | * | * | | | trans | -122.5 | 127.2 | 139.8 | -80 | 172.5 | 0 | 0 | 0 | 109.8 | | |
| 504 | R | 36.7 | Very low | 39.4 | Very low | 232 Ų | 232 | 141.4 Ų | 141.4 | 88% | 0.875 | 84% | 0.835 | S | S | * | * | | | trans | -83.1 | 128.9 | -173.4 | -82.4 | -171.7 | 159 | -121.9 | -0.2 | 112.7 | | |
| 505 | S | 38.4 | Very low | 39.8 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | | | trans | 48.6 | 120.5 | 136.8 | 62.9 | 0 | 0 | 0 | 0 | 122 | | |
| 506 | R | 42.4 | Very low | 40 | Very low | 231 Ų | 231 | 143.5 Ų | 143.5 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | | | trans | -84.6 | 163.5 | 148 | -135.1 | 178.9 | -170.6 | -174.3 | 3.3 | 109.9 | | |
| 507 | P | 52.3 | Low | 40.2 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | | | | -148.4 | 174.9 | 105 | 35.6 | -16.8 | 0 | 0 | 0 | 116.1 | | |
| 508 | P | 61.1 | Low | 40 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | | | trans | -113.7 | 164.8 | -165.8 | 39.9 | -27.5 | 0 | 0 | 0 | 115.4 | | |
| 509 | R | 36.6 | Very low | 39.8 | Very low | 257 Ų | 257 | 142.9 Ų | 142.9 | 97% | 0.97 | 84% | 0.836 | S | S | * | * | | | trans | -155.3 | 146 | 160.3 | -92.5 | -175.1 | -172 | -147.6 | 0.6 | 107.2 | | |
| 510 | G | 34.1 | Very low | 39.7 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | | | cis | 172.4 | 140.9 | 5 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 511 | G | 41.3 | Very low | 39.8 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 87% | 0.866 | 84% | 0.842 | S | S | * | * | | | trans | -85.9 | 164.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 512 | S | 33.7 | Very low | 40.1 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 88% | 0.881 | 84% | 0.837 | S | S | * | * | | | trans | -143.9 | 134.7 | 152.6 | 60.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 513 | Q | 42.2 | Very low | 40.3 | Very low | 205 Ų | 205 | 153.1 Ų | 153.1 | 96% | 0.958 | 85% | 0.847 | S | S | * | * | | | trans | -101 | 150.5 | 173.4 | -67.5 | -164.2 | 43.3 | 0 | 0 | 109.6 | | |
| 514 | G | 38.3 | Very low | 40.8 | Very low | 73 Ų | 73 | 155.2 Ų | 155.2 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | | | trans | -179.7 | 147.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 515 | P | 51 | Low | 41 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 76% | 0.76 | 84% | 0.844 | S | S | * | * | | | | -121.5 | 166.3 | -126.6 | 39.2 | -27.8 | 0 | 0 | 0 | 117.1 | | |
| 516 | R | 38.1 | Very low | 41 | Very low | 242 Ų | 242 | 149.6 Ų | 149.6 | 91% | 0.913 | 84% | 0.843 | S | S | * | * | | | trans | 49.5 | 117.2 | 147 | -102.6 | 178.2 | -94.3 | -124.5 | -2.4 | 120.1 | | |
| 517 | G | 36.3 | Very low | 41 | Very low | 74 Ų | 74 | 150.1 Ų | 150.1 | 76% | 0.763 | 85% | 0.845 | S | S | * | * | | | trans | -105.5 | 147.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 518 | T | 39.5 | Very low | 41.1 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 83% | 0.834 | 85% | 0.845 | S | S | * | * | | | trans | -148 | 130.5 | 166 | 36 | 0 | 0 | 0 | 0 | 110.8 | | |
| 519 | A | 34.6 | Very low | 40.3 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 89% | 0.893 | 84% | 0.84 | S | S | * | * | | | trans | 59 | 133.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 520 | G | 35 | Very low | 41.2 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 84% | 0.836 | S | S | * | * | | | cis | 114.8 | 101.9 | 18.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 521 | M | 34.6 | Very low | 41.7 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | | | trans | -177.4 | 140.8 | 135.7 | -145.8 | 51.3 | 115.2 | 0 | 0 | 113.3 | | |
| 522 | R | 43.6 | Very low | 41.7 | Very low | 219 Ų | 219 | 142.8 Ų | 142.8 | 83% | 0.826 | 84% | 0.835 | S | S | * | * | | | trans | -67.9 | 156.4 | 177.4 | -54.7 | 174.4 | -173 | -99.8 | 4.2 | 112.5 | | |
| 523 | R | 38.2 | Very low | 42.2 | Very low | 251 Ų | 251 | 148.3 Ų | 148.3 | 95% | 0.947 | 84% | 0.837 | S | S | * | * | | | | -150.3 | 139.1 | 124.3 | -73.8 | -151.7 | -178.8 | -102.1 | -3.7 | 112.6 | | |
| 524 | R | 49 | Very low | 42.2 | Very low | 229 Ų | 229 | 148.5 Ų | 148.5 | 86% | 0.864 | 86% | 0.858 | S | S | * | * | | | trans | -76.2 | 147.9 | 169.4 | -65.2 | 175.5 | 171.9 | -168.3 | -2.5 | 109.9 | | |
| 525 | T | 41.2 | Very low | 42.4 | Very low | 150 Ų | 150 | 152.3 Ų | 152.3 | 92% | 0.92 | 86% | 0.863 | S | S | * | * | | | trans | 171 | 137.8 | 147.6 | 35.6 | 0 | 0 | 0 | 0 | 104.5 | | |
| 526 | G | 37.2 | Very low | 41.9 | Very low | 68 Ų | 68 | 154.1 Ų | 154.1 | 70% | 0.701 | 87% | 0.869 | S | S | * | * | | | cis | 143.2 | 112.5 | 24.5 | 0 | 0 | 0 | 0 | 0 | 103.2 | P528 | G526-P528 WeakPolarHBondContact O-CD 3.46Š|
| 527 | R | 43.8 | Very low | 42.2 | Very low | 242 Ų | 242 | 149.2 Ų | 149.2 | 91% | 0.913 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127.8 | -174.6 | -165 | -178.7 | -167.1 | -117.7 | 4.9 | 109.5 | | |
| 528 | P | 53.1 | Low | 42.5 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 79% | 0.792 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 125.5 | 167.6 | -8.5 | 26.3 | 0 | 0 | 0 | 110 | G526 | G526-P528 WeakPolarHBondContact O-CD 3.46Š|
| 529 | G | 45.6 | Very low | 42.7 | Very low | 60 Ų | 60 | 154.8 Ų | 154.8 | 62% | 0.619 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 167.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A531 | G529-A531 PolarHBondContact O-N 3.02Š|
| 530 | P | 55.4 | Low | 43.2 | Very low | 136 Ų | 136 | 157.9 Ų | 157.9 | 88% | 0.883 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 126.2 | -175.9 | 30.1 | -31.8 | 0 | 0 | 0 | 111 | | |
| 531 | A | 44.8 | Very low | 43.8 | Very low | 104 Ų | 104 | 164 Ų | 164 | 86% | 0.86 | 88% | 0.883 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 133.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G529 | G529-A531 PolarHBondContact O-N 3.02Š|
| 532 | G | 40.8 | Very low | 44.5 | Very low | 76 Ų | 76 | 162.2 Ų | 162.2 | 78% | 0.784 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 168.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 533 | R | 43.1 | Very low | 44.6 | Very low | 243 Ų | 243 | 157.4 Ų | 157.4 | 92% | 0.917 | 88% | 0.884 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 137.3 | 171.3 | -59.7 | 170.4 | -174.4 | -90 | 0.1 | 111.3 | | |
| 534 | C | 43 | Very low | 45.2 | Very low | 208 Ų | 208 | 148.9 Ų | 148.9 | 100% | 1.405 | 88% | 0.878 | S | S | * | * | | | trans | -134 | 0 | 138 | -77.5 | 0 | 0 | 0 | 0 | 106.5 | | |