| 1 | M | 38.3 | Very low | 46.7 | Very low | 246 Ų | 246 | 150.9 Ų | 150.9 | 100% | 1.212 | 84% | 0.836 | S | S | * | * | | | | 0 | 150 | 0 | -68.6 | 171.8 | 71.8 | 0 | 0 | 108.6 | | |
| 2 | S | 46.4 | Very low | 47.6 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | | | trans | -97.9 | 144.1 | -169.1 | -41.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 3 | K | 45.9 | Very low | 48.5 | Very low | 219 Ų | 219 | 143.8 Ų | 143.8 | 95% | 0.952 | 80% | 0.798 | S | S | * | * | | | trans | 175.8 | 138.7 | 156.4 | -96.6 | 152.2 | -175.7 | -176.8 | 0 | 107.1 | | |
| 4 | G | 40.7 | Very low | 48.9 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | cis | 164.9 | 99.9 | -6.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 5 | I | 49.4 | Very low | 49.9 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | | | trans | -85.7 | 126.7 | -176.6 | -60.8 | 175 | 0 | 0 | 0 | 109.5 | Q7 | I5-Q7 PolarHBondContact O-N 3.23Å; I5-Q7 VanDerWaalsContact O-N 3.1Å |
| 6 | L | 44.3 | Very low | 49.8 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | -73.9 | 95.6 | 174.1 | -91.5 | 157.7 | 0 | 0 | 0 | 110.3 | V8 | L6-V8 PolarHBondContact O-N 3.31Š|
| 7 | Q | 44.4 | Very low | 50.4 | Low | 158 Ų | 158 | 135.9 Ų | 135.9 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | trans | -81 | 95.7 | 175.9 | -172.7 | 168.8 | 14.9 | 0 | 0 | 110.3 | I5 H9 | I5-Q7 PolarHBondContact O-N 3.23Å; I5-Q7 VanDerWaalsContact O-N 3.1Å; Q7-H9 PolarHBondContact O-N 3.15Å |
| 8 | V | 48.8 | Very low | 51.1 | Low | 133 Ų | 133 | 132.6 Ų | 132.6 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 117.5 | 171.6 | -75.7 | 0 | 0 | 0 | 0 | 110.2 | L6 | L6-V8 PolarHBondContact O-N 3.31Š|
| 9 | H | 45.1 | Very low | 51.3 | Low | 151 Ų | 151 | 138.8 Ų | 138.8 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 141.8 | 174.2 | -79.1 | -103.6 | 0 | 0 | 0 | 110.8 | Q7 | Q7-H9 PolarHBondContact O-N 3.15Š|
| 10 | P | 56.5 | Low | 51 | Low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 153.4 | 168 | 30.3 | -34.8 | 0 | 0 | 0 | 110.6 | I12 | P10-I12 PolarHBondContact O-N 2.73Š|
| 11 | P | 53.7 | Low | 50.5 | Low | 130 Ų | 130 | 138.7 Ų | 138.7 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 130.3 | -179.6 | 26.2 | -34.3 | 0 | 0 | 0 | 111.3 | | |
| 12 | I | 57.5 | Low | 50.5 | Low | 146 Ų | 146 | 131.5 Ų | 131.5 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 134.7 | 174.8 | -57.2 | 173.1 | 0 | 0 | 0 | 108.1 | P10 | P10-I12 PolarHBondContact O-N 2.73Š|
| 13 | C | 59.7 | Low | 50.5 | Low | 64 Ų | 64 | 132.2 Ų | 132.2 | 43% | 0.432 | 76% | 0.758 | S | S | . | * | | | trans | -104.2 | 105 | 175.8 | 136.6 | 0 | 0 | 0 | 0 | 109.1 | C15 C18 | C13-C15 WeakPolarHBondContact CB-SG 3.44Å; C13-C15 PolarHBondContact O-N 2.74Å; C13-C15 WeakPolarHBondContact SG-CB 3.38Å; C13-C15 CovalentContact SG-SG 2.04Å; C13-C15 PolarHBondContact SG-SG 3.03Å; C13-C18 PolarHBondContact SG-SG 2.99Å |
| 14 | D | 53.6 | Low | 50.6 | Low | 158 Ų | 158 | 126.7 Ų | 126.7 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | | | trans | -75.7 | 45.4 | 175 | -65.9 | -50.5 | 0 | 0 | 0 | 111.6 | | |
| 15 | C | 64.6 | Low | 50.3 | Low | 62 Ų | 62 | 130.1 Ų | 130.1 | 42% | 0.419 | 74% | 0.743 | S | S | . | * | | | trans | -92.3 | 129.3 | -176 | -41.6 | 0 | 0 | 0 | 0 | 108.8 | C13 G17 C18 | C13-C15 WeakPolarHBondContact CB-SG 3.44Å; C13-C15 PolarHBondContact O-N 2.74Å; C13-C15 WeakPolarHBondContact SG-CB 3.38Å; C13-C15 CovalentContact SG-SG 2.04Å; C13-C15 PolarHBondContact SG-SG 3.03Å; C15-G17 PolarHBondContact O-N 3.2Å; C15-C18 HydrophobicContact CB-CB 4.47Å; C15-C18 PolarHBondContact O-N 3.16Å |
| 16 | P | 48.5 | Very low | 50.1 | Low | 150 Ų | 150 | 134.8 Ų | 134.8 | 97% | 0.974 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 20.2 | -167.9 | 27.8 | -36 | 0 | 0 | 0 | 116.4 | | |
| 17 | G | 60.3 | Low | 50.1 | Low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | -3.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | C15 R19 | C15-G17 PolarHBondContact O-N 3.2Å; G17-R19 PolarHBondContact O-N 2.73Å |
| 18 | C | 62.8 | Low | 50.3 | Low | 76 Ų | 76 | 134.2 Ų | 134.2 | 51% | 0.514 | 75% | 0.747 | S | S | . | * | | | trans | -81.8 | 77.5 | -170.6 | -83.2 | 0 | 0 | 0 | 0 | 114.4 | C13 C15 I20 | C13-C18 PolarHBondContact SG-SG 2.99Å; C15-C18 HydrophobicContact CB-CB 4.47Å; C15-C18 PolarHBondContact O-N 3.16Å; C18-I20 VanDerWaalsContact C-N 3.3Å; C18-I20 PolarHBondContact O-N 2.93Å |
| 19 | R | 53.6 | Low | 49.9 | Very low | 251 Ų | 251 | 136 Ų | 136 | 95% | 0.947 | 75% | 0.751 | S | S | * | * | | | trans | -83 | 67.7 | 164 | -78.6 | -170.4 | 170.2 | -171.4 | -0.9 | 112.2 | G17 | G17-R19 PolarHBondContact O-N 2.73Š|
| 20 | I | 46.5 | Very low | 49.7 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | trans | -109.2 | 98.9 | 160.5 | -58.3 | -177.9 | 0 | 0 | 0 | 107.7 | C18 S22 | C18-I20 VanDerWaalsContact C-N 3.3Å; C18-I20 PolarHBondContact O-N 2.93Å; I20-S22 PolarHBondContact O-N 3.14Å |
| 21 | S | 39.3 | Very low | 48.7 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -73.7 | 118.2 | -177 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 22 | S | 38.3 | Very low | 48 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | | | trans | -65.2 | 132.8 | 169.2 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | I20 V24 | I20-S22 PolarHBondContact O-N 3.14Å; S22-V24 VanDerWaalsContact C-N 3.28Å; S22-V24 PolarHBondContact O-N 3.18Å |
| 23 | P | 47.9 | Very low | 47.3 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -85.6 | 48.8 | -170.4 | 35.6 | -38 | 0 | 0 | 0 | 113.9 | | |
| 24 | V | 47.7 | Very low | 46.2 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 62% | 0.624 | 78% | 0.778 | S | S | * | * | | | trans | -137.4 | 144.8 | 173.3 | -165.1 | 0 | 0 | 0 | 0 | 110.3 | S22 | S22-V24 VanDerWaalsContact C-N 3.28Å; S22-V24 PolarHBondContact O-N 3.18Å |
| 25 | N | 34.5 | Very low | 45.4 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | | | trans | 72.6 | 62.9 | 178.5 | -54.3 | -50.5 | 0 | 0 | 0 | 116.9 | G27 | N25-G27 PolarHBondContact O-N 2.68Š|
| 26 | R | 45.6 | Very low | 43.9 | Very low | 266 Ų | 266 | 144.2 Ų | 144.2 | 100% | 1.004 | 79% | 0.793 | S | S | * | * | | | trans | -87.1 | 44.1 | 163.9 | -157.5 | 177.9 | -174.5 | 158.9 | 3.2 | 112.5 | | |
| 27 | G | 42.3 | Very low | 43.3 | Very low | 57 Ų | 57 | 144.9 Ų | 144.9 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -153.5 | 136.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N25 | N25-G27 PolarHBondContact O-N 2.68Š|
| 28 | R | 49.7 | Very low | 42.4 | Very low | 252 Ų | 252 | 147.6 Ų | 147.6 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 54 | 83 | -178.8 | -67.8 | -178.1 | 172.1 | -92.6 | 1.4 | 116.2 | | |
| 29 | L | 40 | Very low | 41.1 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | | -162 | 96 | 115.9 | -166.2 | 64 | 0 | 0 | 0 | 110.7 | | |
| 30 | A | 40.5 | Very low | 40.2 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | | | trans | -129.1 | 80.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 31 | D | 36.6 | Very low | 39.8 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 60% | 0.599 | 80% | 0.803 | S | S | * | * | | | trans | -155.8 | 148 | 162.2 | -153.9 | -11.8 | 0 | 0 | 0 | 111.1 | | |
| 32 | K | 38.4 | Very low | 39.5 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 71% | 0.709 | 81% | 0.807 | S | S | * | * | | | trans | 37.2 | 112.5 | 158.7 | -82.3 | 155 | -155.9 | 132.4 | 0 | 118.7 | | |
| 33 | R | 43.1 | Very low | 39.2 | Very low | 237 Ų | 237 | 151.2 Ų | 151.2 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | | | | -162.1 | 136.7 | 63.7 | -100.2 | 155.4 | -175.5 | 159.6 | 1.7 | 114.2 | | |
| 34 | T | 36.4 | Very low | 38.5 | Very low | 141 Ų | 141 | 153.4 Ų | 153.4 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | trans | -91 | 126.8 | 165.3 | -48.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 35 | V | 36.8 | Very low | 37.9 | Very low | 138 Ų | 138 | 158 Ų | 158 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | | | trans | -141.7 | 140.1 | 157.8 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 36 | A | 33.3 | Very low | 37.9 | Very low | 89 Ų | 89 | 157.8 Ų | 157.8 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 157.3 | -168 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 37 | L | 35.9 | Very low | 37.1 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 143.8 | 159.8 | -64.8 | 172.4 | 0 | 0 | 0 | 109.7 | | |
| 38 | P | 40.9 | Very low | 36.8 | Very low | 126 Ų | 126 | 159.7 Ų | 159.7 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 136.4 | 177.6 | 30 | -34 | 0 | 0 | 0 | 111.8 | | |
| 39 | A | 35 | Very low | 36.4 | Very low | 94 Ų | 94 | 153 Ų | 153 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 142.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 40 | A | 34.8 | Very low | 36 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 134.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 41 | R | 39.7 | Very low | 35.6 | Very low | 244 Ų | 244 | 153 Ų | 153 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 120.7 | 173.6 | -83.2 | -175.6 | 160.4 | -177.8 | -6.2 | 110.8 | | |
| 42 | N | 31.2 | Very low | 35.3 | Very low | 161 Ų | 161 | 153.3 Ų | 153.3 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 150.4 | 163.5 | -83.6 | -96.4 | 0 | 0 | 0 | 110.1 | | |
| 43 | L | 33.7 | Very low | 35.3 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | | | trans | -131.7 | 109.3 | 164.8 | -152.6 | 137.5 | 0 | 0 | 0 | 109 | | |
| 44 | K | 32.8 | Very low | 35 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | | | trans | -103.2 | 125 | -174.9 | 171.8 | 179.7 | 177.7 | 174.7 | 0 | 109.8 | | |
| 45 | K | 34.6 | Very low | 35.3 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | trans | -152.9 | 131.5 | 154 | -155.1 | 163.4 | -174.4 | 177 | 0 | 112 | | |
| 46 | E | 33.6 | Very low | 35.5 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 66% | 0.659 | 81% | 0.811 | S | S | * | * | | | trans | -89.5 | 150.1 | 172.6 | -56.4 | 171.9 | 140.1 | 0 | 0 | 110.1 | | |
| 47 | R | 29.8 | Very low | 35.8 | Very low | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | | | | 171.3 | 132.2 | 100.1 | -93.8 | -167.9 | 173.8 | -160.9 | -4.7 | 113.1 | | |
| 48 | T | 35.4 | Very low | 36.2 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -65.6 | 164.9 | 153.8 | 9.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 49 | P | 42.7 | Very low | 36.5 | Very low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | | | | -156.9 | -177.6 | 57.4 | 45 | -23.6 | 0 | 0 | 0 | 119.8 | | |
| 50 | S | 31.6 | Very low | 36.7 | Very low | 82 Ų | 82 | 145.1 Ų | 145.1 | 57% | 0.573 | 82% | 0.818 | S | S | * | * | | | trans | 85.5 | 110.8 | 141.1 | -73.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 51 | F | 30.6 | Very low | 36.9 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | | | trans | 63.7 | 152.9 | 140.5 | -50.8 | -55.9 | 0 | 0 | 0 | 118.7 | | |
| 52 | S | 31.7 | Very low | 36.6 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | cis | -138 | 176.7 | 7 | -79.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 53 | A | 37.6 | Very low | 37.5 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | -89.3 | 168.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 54 | S | 37.7 | Very low | 37.7 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -160 | 138.6 | 149 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 55 | D | 42.9 | Very low | 37.8 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | | | trans | -79.6 | 170.1 | 171.6 | -50.7 | -84.8 | 0 | 0 | 0 | 111.9 | | |
| 56 | G | 39.4 | Very low | 37.8 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | 178.4 | 101 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 57 | D | 40.1 | Very low | 37.7 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | | | trans | -105.6 | 148.8 | -178.2 | -171.4 | 5.5 | 0 | 0 | 0 | 111.4 | | |
| 58 | S | 45.2 | Very low | 38.1 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | | | trans | 171.2 | 125.8 | 157.6 | -79.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 59 | D | 46.9 | Very low | 38.5 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | | | trans | -72.6 | 155.6 | 159.5 | -92 | -52.3 | 0 | 0 | 0 | 112.6 | | |
| 60 | G | 39.3 | Very low | 37.9 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | | | trans | -161.3 | 100.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 61 | S | 38.7 | Very low | 38.2 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 92% | 0.923 | 84% | 0.842 | S | S | * | * | | | trans | -76.1 | 149.3 | -176.3 | -42.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 62 | G | 33.8 | Very low | 38.3 | Very low | 70 Ų | 70 | 134.3 Ų | 134.3 | 72% | 0.722 | 84% | 0.841 | S | S | * | * | | | trans | 162.5 | 104.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 63 | P | 49.5 | Very low | 38.5 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | | | trans | -93.8 | 131.2 | 174.4 | 34.3 | -30.2 | 0 | 0 | 0 | 112.5 | | |
| 64 | T | 37.8 | Very low | 38.3 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 90% | 0.896 | 84% | 0.835 | S | S | * | * | | | trans | -133.2 | 130.4 | 163.3 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 65 | C | 35.2 | Very low | 38.1 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 91% | 0.912 | 84% | 0.835 | S | S | * | * | | | trans | -92.1 | 128.7 | 179.5 | 52.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 66 | G | 33.9 | Very low | 37.8 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | | | trans | -158.3 | 90.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 67 | R | 31.5 | Very low | 38.3 | Very low | 238 Ų | 238 | 137.8 Ų | 137.8 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | | | trans | 60.9 | 100.3 | 142.2 | -152.7 | 167.1 | -160.8 | -94.8 | 4.1 | 119.3 | | |
| 68 | R | 38.5 | Very low | 38.1 | Very low | 237 Ų | 237 | 138.4 Ų | 138.4 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | | | trans | -51.8 | 154.2 | 148.1 | -80.2 | -174.3 | 179.8 | -152.3 | 0.1 | 110.3 | | |
| 69 | P | 44 | Very low | 37.7 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | cis | -152.6 | 159.7 | 47 | 41.4 | -21 | 0 | 0 | 0 | 120.1 | | |
| 70 | G | 30.7 | Very low | 37.3 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | | | trans | 95.7 | 143.1 | 130.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 71 | L | 37.4 | Very low | 37.4 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | | | trans | 58.2 | 91.5 | 157 | -52 | -179.3 | 0 | 0 | 0 | 118.2 | | |
| 72 | K | 33.5 | Very low | 37.2 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | | -147.7 | 158.2 | 116.7 | -148.3 | 168.2 | -179.1 | -176.7 | 0 | 111.5 | E74 | K72-E74 WeakPolarHBondContact CB-OE1 3.47Š|
| 73 | Q | 34.4 | Very low | 37.4 | Very low | 180 Ų | 180 | 153.8 Ų | 153.8 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | | | trans | -118.6 | 118.3 | 179.2 | 178.5 | 171.6 | 0.7 | 0 | 0 | 107.4 | | |
| 74 | E | 34.3 | Very low | 36.7 | Very low | 153 Ų | 153 | 157.8 Ų | 157.8 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | | | trans | -99.4 | 127.1 | -177.4 | -40.9 | -65.5 | 98.8 | 0 | 0 | 108.6 | K72 | K72-E74 WeakPolarHBondContact CB-OE1 3.47Š|
| 75 | D | 34.1 | Very low | 36.6 | Very low | 153 Ų | 153 | 161.1 Ų | 161.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -83.6 | 138.7 | -174.3 | -139.5 | -48.8 | 0 | 0 | 0 | 112.3 | | |
| 76 | G | 36.5 | Very low | 36.5 | Very low | 44 Ų | 44 | 159.4 Ų | 159.4 | 45% | 0.454 | 79% | 0.786 | S | S | . | * | | | trans | -121.5 | 121.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | H78 | G76-H78 PolarHBondContact O-N 3.48Å; G76-H78 VanDerWaalsContact O-N 3.15Å; G76-H78 PolarHBondContact O-ND1 2.86Å |
| 77 | P | 48.3 | Very low | 36.6 | Very low | 124 Ų | 124 | 163.8 Ų | 163.8 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | -63.9 | 118.6 | -165.5 | 23 | -33.4 | 0 | 0 | 0 | 112.9 | I79 | P77-I79 PolarHBondContact O-N 2.97Š|
| 78 | H | 36.8 | Very low | 37 | Very low | 168 Ų | 168 | 157 Ų | 157 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | | | trans | -68 | 97.5 | 179.9 | -80.7 | 41.6 | 0 | 0 | 0 | 112.5 | G76 R80 | G76-H78 PolarHBondContact O-N 3.48Å; G76-H78 VanDerWaalsContact O-N 3.15Å; G76-H78 PolarHBondContact O-ND1 2.86Å; H78-R80 PolarHBondContact O-N 3.27Å |
| 79 | I | 37.1 | Very low | 37 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | -73.7 | 93.2 | 165.5 | -59 | -177.7 | 0 | 0 | 0 | 108.8 | P77 I81 | P77-I79 PolarHBondContact O-N 2.97Å; I79-I81 PolarHBondContact O-N 2.87Å |
| 80 | R | 37.5 | Very low | 36.5 | Very low | 218 Ų | 218 | 157.1 Ų | 157.1 | 82% | 0.823 | 76% | 0.763 | S | S | * | * | | | trans | -68.6 | 94.1 | 177.5 | -61.7 | 176.5 | 77.8 | -170.3 | 7.1 | 110.1 | H78 M82 | H78-R80 PolarHBondContact O-N 3.27Å; R80-M82 PolarHBondContact O-N 2.87Å |
| 81 | I | 42.4 | Very low | 36.7 | Very low | 150 Ų | 150 | 160 Ų | 160 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -63.1 | 97.2 | 172.5 | -58.8 | 178.2 | 0 | 0 | 0 | 109 | I79 K83 | I79-I81 PolarHBondContact O-N 2.87Å; I81-K83 PolarHBondContact O-N 2.92Å |
| 82 | M | 33.8 | Very low | 36.7 | Very low | 167 Ų | 167 | 156.6 Ų | 156.6 | 82% | 0.823 | 75% | 0.749 | S | S | * | * | | | trans | -69.1 | 93.4 | 175.4 | -70.5 | -169.8 | 74 | 0 | 0 | 109.8 | R80 R84 | R80-M82 PolarHBondContact O-N 2.87Å; M82-R84 PolarHBondContact O-N 3.29Å |
| 83 | K | 37.9 | Very low | 36.5 | Very low | 200 Ų | 200 | 154.3 Ų | 154.3 | 87% | 0.87 | 75% | 0.746 | S | S | * | * | | | trans | -68.3 | 75.9 | 178 | -158.1 | 168.5 | -170.7 | 171.1 | 0 | 110.3 | I81 R85 | I81-K83 PolarHBondContact O-N 2.92Å; K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 3.31Å |
| 84 | R | 34.8 | Very low | 36.5 | Very low | 216 Ų | 216 | 152.1 Ų | 152.1 | 82% | 0.815 | 74% | 0.738 | S | S | * | * | | | trans | -70.4 | 78.6 | -172.4 | -161.9 | -169.2 | -59.5 | 176.8 | 2.4 | 111 | M82 V86 | M82-R84 PolarHBondContact O-N 3.29Å; R84-V86 VanDerWaalsContact C-N 3.33Å; R84-V86 HydrophobicContact CG-CG2 4.22Å; R84-V86 PolarHBondContact O-N 3.23Å |
| 85 | R | 36.8 | Very low | 36.3 | Very low | 215 Ų | 215 | 149.3 Ų | 149.3 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | | | trans | -66.3 | 89.2 | 171.6 | -174.6 | -165.1 | -63.6 | -143.4 | 2.8 | 109.1 | K83 H87 | K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 3.31Å; R85-H87 PolarHBondContact O-N 3.43Å; R85-H87 VanDerWaalsContact O-N 3.13Å |
| 86 | V | 32.8 | Very low | 36 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 60% | 0.6 | 74% | 0.737 | S | S | * | * | | | trans | -75 | 99 | 168.4 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | R84 T88 | R84-V86 VanDerWaalsContact C-N 3.33Å; R84-V86 HydrophobicContact CG-CG2 4.22Å; R84-V86 PolarHBondContact O-N 3.23Å; V86-T88 HydrophobicContact CG1-CG2 3.69Å |
| 87 | H | 35.4 | Very low | 35.7 | Very low | 167 Ų | 167 | 160.1 Ų | 160.1 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -90.9 | 111.5 | 162.7 | -123.1 | 38.3 | 0 | 0 | 0 | 106.8 | R85 | R85-H87 PolarHBondContact O-N 3.43Å; R85-H87 VanDerWaalsContact O-N 3.13Å |
| 88 | T | 39.9 | Very low | 34.9 | Very low | 95 Ų | 95 | 162.1 Ų | 162.1 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | | | trans | -118.6 | 90.7 | 172.3 | 44.4 | 0 | 0 | 0 | 0 | 109.1 | V86 W90 | V86-T88 HydrophobicContact CG1-CG2 3.69Å; T88-W90 PolarHBondContact O-N 3.27Å |
| 89 | H | 37.8 | Very low | 34.6 | Very low | 148 Ų | 148 | 159.1 Ų | 159.1 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | | | trans | -66.8 | 120.9 | 164 | 179.4 | -85.4 | 0 | 0 | 0 | 108.8 | D91 | H89-D91 IonicContact CE1-OD2 3.45Å; H89-D91 PolarHBondContact CE1-OD2 2.92Å; H89-D91 IonicContact NE2-OD2 2.72Å |
| 90 | W | 33.9 | Very low | 34.5 | Very low | 208 Ų | 208 | 156 Ų | 156 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | | | trans | -132.6 | 76.7 | 173.7 | -73.1 | 115.8 | 0 | 0 | 0 | 109.7 | T88 V92 | T88-W90 PolarHBondContact O-N 3.27Å; W90-V92 PolarHBondContact O-N 3.36Å |
| 91 | D | 36.4 | Very low | 34.1 | Very low | 132 Ų | 132 | 151.3 Ų | 151.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | -59.2 | 116.3 | 156.4 | -93.6 | -28.8 | 0 | 0 | 0 | 108.6 | H89 | H89-D91 IonicContact CE1-OD2 3.45Å; H89-D91 PolarHBondContact CE1-OD2 2.92Å; H89-D91 IonicContact NE2-OD2 2.72Å |
| 92 | V | 36.1 | Very low | 33.5 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 64% | 0.642 | 75% | 0.749 | S | S | * | * | | | trans | -122.2 | 83 | 166.9 | -170.7 | 0 | 0 | 0 | 0 | 107.4 | W90 I94 | W90-V92 PolarHBondContact O-N 3.36Å; V92-I94 VanDerWaalsContact C-N 3.31Å; V92-I94 HydrophobicContact CG1-CD1 4.29Å; V92-I94 HydrophobicContact CG1-CG1 3.87Å; V92-I94 PolarHBondContact O-N 3.23Å |
| 93 | N | 30.8 | Very low | 33.6 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | trans | -70 | 84 | 177.1 | -177.4 | -4 | 0 | 0 | 0 | 110.5 | S95 | N93-S95 PolarHBondContact O-N 2.96Å; N93-S95 VanDerWaalsContact O-N 3.12Å |
| 94 | I | 33.1 | Very low | 33.4 | Very low | 133 Ų | 133 | 146 Ų | 146 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | trans | -80.6 | 87.8 | 171.3 | -52.7 | -174.5 | 0 | 0 | 0 | 108.4 | V92 F96 | V92-I94 VanDerWaalsContact C-N 3.31Å; V92-I94 HydrophobicContact CG1-CD1 4.29Å; V92-I94 HydrophobicContact CG1-CG1 3.87Å; V92-I94 PolarHBondContact O-N 3.23Å; I94-F96 PolarHBondContact O-N 2.67Å |
| 95 | S | 30.2 | Very low | 33.2 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | | | trans | -71.8 | 92.1 | 171.9 | 42.3 | 0 | 0 | 0 | 0 | 110.4 | N93 R97 | N93-S95 PolarHBondContact O-N 2.96Å; N93-S95 VanDerWaalsContact O-N 3.12Å; S95-R97 VanDerWaalsContact C-N 3.33Å; S95-R97 PolarHBondContact O-N 2.68Å |
| 96 | F | 27.9 | Very low | 32.9 | Very low | 194 Ų | 194 | 137 Ų | 137 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | | | trans | -73.4 | 90.4 | 171 | -140.5 | -85.4 | 0 | 0 | 0 | 109.3 | I94 E98 | I94-F96 PolarHBondContact O-N 2.67Å; F96-E98 PolarHBondContact O-N 2.83Å |
| 97 | R | 30.5 | Very low | 32.9 | Very low | 230 Ų | 230 | 140.2 Ų | 140.2 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | | | trans | -79.2 | 110.4 | -173.6 | -160.1 | 172.9 | -165.6 | -104.2 | 3.8 | 109.9 | S95 A99 | S95-R97 VanDerWaalsContact C-N 3.33Å; S95-R97 PolarHBondContact O-N 2.68Å; R97-A99 PolarHBondContact O-N 3.46Å |
| 98 | E | 31.3 | Very low | 33.5 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | -54.2 | 133.6 | 174.2 | -73.1 | -179.6 | 103.9 | 0 | 0 | 111.6 | F96 | F96-E98 PolarHBondContact O-N 2.83Š|
| 99 | A | 31 | Very low | 33.1 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 88% | 0.876 | 75% | 0.754 | S | S | * | * | | | trans | -109.9 | 69.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109 | R97 | R97-A99 PolarHBondContact O-N 3.46Š|
| 100 | S | 34.8 | Very low | 33 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | | | trans | -80.7 | 126.6 | -175.7 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 101 | C | 27.7 | Very low | 33 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | | | trans | -145.3 | 120.8 | 153 | -90.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 102 | S | 30.8 | Very low | 32.7 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | | 78 | 129.1 | 63.7 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 103 | Q | 35.9 | Very low | 32.4 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | cis | -166.1 | 162 | -7.1 | 169.2 | 170.8 | 3.2 | 0 | 0 | 109.9 | | |
| 104 | D | 33.1 | Very low | 32.3 | Very low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | | | trans | 13 | 134.4 | 163.5 | -53.9 | -39.1 | 0 | 0 | 0 | 121.8 | | |
| 105 | G | 30.3 | Very low | 32.3 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | | | trans | -171.3 | 121.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 106 | N | 30.6 | Very low | 32.4 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | | | trans | -78 | 157.8 | -174.9 | -66.2 | -86.8 | 0 | 0 | 0 | 114.8 | | |
| 107 | L | 33 | Very low | 32.3 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | | | trans | -61.1 | 168.5 | 154.1 | -126.6 | 67.5 | 0 | 0 | 0 | 110.2 | | |
| 108 | P | 49.5 | Very low | 32.5 | Very low | 102 Ų | 102 | 133 Ų | 133 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | | | cis | -146.5 | -179.3 | 5.9 | 38.6 | -16.4 | 0 | 0 | 0 | 118.3 | | |
| 109 | T | 31.5 | Very low | 32.6 | Very low | 109 Ų | 109 | 133 Ų | 133 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | trans | 76.9 | 123.1 | 151.5 | -14.5 | 0 | 0 | 0 | 0 | 120.8 | I111 | T109-I111 HydrophobicContact CG2-CD1 4.41Å; T109-I111 HydrophobicContact CG2-CG1 4.38Å |
| 110 | L | 34.9 | Very low | 32.6 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | | -176.1 | 116.3 | 112 | -85.8 | -179.8 | 0 | 0 | 0 | 106.5 | | |
| 111 | I | 33.4 | Very low | 32.3 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | | | | 67.6 | 126.3 | 82.1 | -69.2 | -175.9 | 0 | 0 | 0 | 111.3 | T109 | T109-I111 HydrophobicContact CG2-CD1 4.41Å; T109-I111 HydrophobicContact CG2-CG1 4.38Å |
| 112 | S | 30.5 | Very low | 32.8 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | cis | -153.9 | -174.7 | 32.4 | -152.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 113 | S | 29 | Very low | 33.3 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | 76.8 | 102.9 | 169.7 | -123.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 114 | V | 28.9 | Very low | 33.3 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | | 69.3 | 112.7 | 53.5 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 115 | H | 33.4 | Very low | 33 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | | | | -152 | 166.7 | 56.1 | -116.9 | -40.8 | 0 | 0 | 0 | 110.2 | | |
| 116 | R | 31.5 | Very low | 33.2 | Very low | 200 Ų | 200 | 145.6 Ų | 145.6 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | cis | -159.7 | 167.5 | 4.6 | -160.8 | 164.2 | -165.2 | 143.3 | 1.2 | 110.3 | | |
| 117 | S | 27.2 | Very low | 32.9 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | trans | 62 | 95.2 | 163.2 | -62.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 118 | R | 34.4 | Very low | 32.7 | Very low | 211 Ų | 211 | 144 Ų | 144 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | | | trans | -100.9 | 158.2 | 151.6 | -60.5 | 170.9 | 176.7 | 177 | -3.2 | 109.2 | | |
| 119 | H | 32.8 | Very low | 31.6 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | | 158.5 | 150.1 | 119.7 | -97.5 | -99.5 | 0 | 0 | 0 | 110.7 | | |
| 120 | L | 32.2 | Very low | 31.4 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | | | cis | 172.9 | 176.1 | -41.4 | -107 | 168.2 | 0 | 0 | 0 | 107.5 | | |
| 121 | V | 26.9 | Very low | 31 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | | | trans | 85.2 | 117.3 | 163.9 | -169.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 122 | M | 39.8 | Very low | 30.8 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | | | trans | -98.1 | 143.1 | 150.3 | -77.4 | -71.7 | -64.1 | 0 | 0 | 108.8 | | |
| 123 | P | 40.3 | Very low | 30.8 | Very low | 111 Ų | 111 | 156 Ų | 156 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | trans | -129.5 | 145.8 | 159.8 | 36.6 | -23.9 | 0 | 0 | 0 | 113.5 | | |
| 124 | E | 35.3 | Very low | 30.7 | Very low | 188 Ų | 188 | 154.5 Ų | 154.5 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | trans | -98.4 | 132.7 | 167.7 | -59.8 | 162.9 | 105.8 | 0 | 0 | 109.6 | | |
| 125 | H | 28.3 | Very low | 30.7 | Very low | 179 Ų | 179 | 154.4 Ų | 154.4 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | trans | -166.9 | 163.4 | 141.4 | -132.8 | -96.8 | 0 | 0 | 0 | 115 | | |
| 126 | Q | 33.4 | Very low | 30.6 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -76.2 | 142.6 | 170 | -55.7 | 165.4 | -12.9 | 0 | 0 | 111.8 | | |
| 127 | S | 25.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | | 176.9 | 121.8 | 122.5 | 39.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 128 | R | 27.1 | Very low | 30.9 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | | | | 26.6 | 120 | 128.9 | -163.9 | 177.1 | -163 | -89.9 | -5.3 | 119.9 | E130 | R128-E130 IonicContact CZ-OE1 3.42Å; R128-E130 IonicContact CZ-OE2 2.63Å; R128-E130 IonicContact NH1-OE1 2.68Å; R128-E130 IonicContact NH1-OE2 3.17Å; R128-E130 PolarHBondContact NH1-OE2 3.03Å; R128-E130 IonicContact NH2-OE1 3.43Å; R128-E130 PolarHBondContact NH2-OE1 3.41Å; R128-E130 IonicContact NH2-OE2 3.56Å; R128-E130 PolarHBondContact NH2-OE2 3.32Å |
| 129 | C | 26.3 | Very low | 30.6 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 91% | 0.912 | 76% | 0.764 | S | S | * | * | | | trans | -119.8 | 144 | 151.7 | -67.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 130 | E | 27.4 | Very low | 30.5 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | | | trans | -116.8 | 135.1 | 174.7 | -77.5 | 179.1 | 128 | 0 | 0 | 111.1 | R128 | R128-E130 IonicContact CZ-OE1 3.42Å; R128-E130 IonicContact CZ-OE2 2.63Å; R128-E130 IonicContact NH1-OE1 2.68Å; R128-E130 IonicContact NH1-OE2 3.17Å; R128-E130 PolarHBondContact NH1-OE2 3.03Å; R128-E130 IonicContact NH2-OE1 3.43Å; R128-E130 PolarHBondContact NH2-OE1 3.41Å; R128-E130 IonicContact NH2-OE2 3.56Å; R128-E130 PolarHBondContact NH2-OE2 3.32Å |
| 131 | F | 27 | Very low | 30.5 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | | | trans | -174.7 | 145.8 | 151.6 | -120.1 | -134.4 | 0 | 0 | 0 | 106.9 | | |
| 132 | Q | 29.4 | Very low | 31.4 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | cis | -148.2 | 154.3 | -5.9 | -157.2 | 174.7 | 7.5 | 0 | 0 | 110.9 | | |
| 133 | R | 30.3 | Very low | 31 | Very low | 250 Ų | 250 | 147.5 Ų | 147.5 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | | | trans | -42.6 | 130.5 | 177.4 | 177.6 | -174.1 | -64.4 | 160.6 | -1 | 115.8 | | |
| 134 | G | 27.6 | Very low | 30.5 | Very low | 73 Ų | 73 | 146.1 Ų | 146.1 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -165.6 | 109.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 135 | S | 27.5 | Very low | 30.6 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -18.4 | 136 | 169.7 | -70 | 0 | 0 | 0 | 0 | 120 | | |
| 136 | L | 31.8 | Very low | 31.1 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | | 77 | 133.7 | 78.4 | -154.7 | 84.4 | 0 | 0 | 0 | 111.5 | | |
| 137 | E | 33.2 | Very low | 31.2 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | cis | -118.5 | 150.3 | 14.4 | -78.9 | -80.2 | 108 | 0 | 0 | 110.7 | | |
| 138 | I | 31.7 | Very low | 31.5 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | | | | 57.1 | 121.7 | 76.1 | -55.2 | -179.5 | 0 | 0 | 0 | 115.4 | | |
| 139 | G | 28.4 | Very low | 32.1 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | | | trans | 146 | 110.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 140 | L | 31.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | | | trans | 67.4 | 111.4 | 131.2 | -55 | -178.7 | 0 | 0 | 0 | 123.3 | | |
| 141 | R | 31.1 | Very low | 32.7 | Very low | 229 Ų | 229 | 143.4 Ų | 143.4 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | -61.8 | 162.6 | 134.3 | -118.4 | -163.6 | -86.9 | 130 | -9.2 | 109.2 | | |
| 142 | P | 46.9 | Very low | 32.9 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | cis | -151.2 | -175.5 | 43.2 | 43.3 | -22.2 | 0 | 0 | 0 | 117.7 | | |
| 143 | A | 30.2 | Very low | 32.9 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | 38.5 | 145.5 | 143.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 144 | G | 30.7 | Very low | 33 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | 175.5 | 83 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 145 | D | 36.4 | Very low | 33.9 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -68.1 | 172.5 | -175.7 | -138.4 | -36.4 | 0 | 0 | 0 | 116.6 | | |
| 146 | L | 38.1 | Very low | 34.1 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | 82.7 | 136.5 | 153.4 | -65.4 | 162.8 | 0 | 0 | 0 | 124.9 | | |
| 147 | L | 37.4 | Very low | 34.2 | Very low | 141 Ų | 141 | 143 Ų | 143 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | 57.3 | 111.8 | 143.2 | -68.6 | 163.4 | 0 | 0 | 0 | 120.4 | | |
| 148 | G | 31.7 | Very low | 33.9 | Very low | 68 Ų | 68 | 140.9 Ų | 140.9 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | 132.7 | 176.5 | 18.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 149 | K | 38.2 | Very low | 33.9 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 70% | 0.7 | 77% | 0.772 | S | S | * | * | | | trans | 85.2 | 99.2 | 158.2 | -52.8 | 162.3 | -172.5 | 166.3 | 0 | 121 | | |
| 150 | R | 33.6 | Very low | 34.2 | Very low | 211 Ų | 211 | 142 Ų | 142 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | | | | 86.2 | 147.2 | 127.7 | -81.8 | -168.4 | -71.2 | -112.4 | 6.2 | 122.7 | | |
| 151 | L | 33.2 | Very low | 34.1 | Very low | 171 Ų | 171 | 139 Ų | 139 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | | | trans | 73.8 | 127.5 | 161.3 | -64.9 | 150.2 | 0 | 0 | 0 | 116.9 | | |
| 152 | G | 31.1 | Very low | 34 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | cis | 167.8 | -175.3 | -9.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 153 | R | 30.6 | Very low | 33.4 | Very low | 257 Ų | 257 | 136 Ų | 136 | 97% | 0.97 | 76% | 0.762 | S | S | * | * | | | trans | 75.5 | 115.7 | 170.8 | -59.6 | -175.3 | 179.9 | -116.3 | -0 | 118.7 | | |
| 154 | S | 31.3 | Very low | 33.4 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | | | trans | -103.6 | 161 | 151.9 | 170.7 | 0 | 0 | 0 | 0 | 108.3 | R156 | S154-R156 PolarHBondContact OG-N 3.08Š|
| 155 | P | 47.5 | Very low | 33.4 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | | -124.6 | 157.1 | 106.9 | 38.9 | -32.7 | 0 | 0 | 0 | 110.7 | | |
| 156 | R | 32 | Very low | 33.2 | Very low | 219 Ų | 219 | 146.1 Ų | 146.1 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | | | cis | 65.2 | 142.3 | 44.3 | -55.7 | -74.2 | -161.1 | 171.2 | 5.3 | 110.5 | S154 | S154-R156 PolarHBondContact OG-N 3.08Š|
| 157 | I | 33.4 | Very low | 32.8 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | | | cis | -124.3 | 159.3 | 11.9 | -70.3 | 174.5 | 0 | 0 | 0 | 106.3 | | |
| 158 | S | 26.8 | Very low | 32.4 | Very low | 92 Ų | 92 | 147.9 Ų | 147.9 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | cis | -122 | -167.2 | 32.6 | -102.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 159 | S | 31.6 | Very low | 32.4 | Very low | 84 Ų | 84 | 148.6 Ų | 148.6 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | | | cis | 81.3 | 148.5 | 16.2 | 110.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 160 | D | 34.7 | Very low | 31.9 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | cis | -127 | 158.3 | -4.2 | -86.1 | -63.6 | 0 | 0 | 0 | 114 | | |
| 161 | C | 29.6 | Very low | 31.6 | Very low | 113 Ų | 113 | 145 Ų | 145 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | trans | -141.6 | 175.3 | 174 | -84.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 162 | F | 29.3 | Very low | 32.2 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 87% | 0.873 | 75% | 0.752 | S | S | * | * | | | trans | 113.7 | 145.9 | 170.9 | -64.9 | -58.1 | 0 | 0 | 0 | 114.6 | | |
| 163 | S | 33.4 | Very low | 32 | Very low | 77 Ų | 77 | 148.7 Ų | 148.7 | 54% | 0.538 | 76% | 0.764 | S | S | . | * | | | cis | -147.8 | 141 | -6.4 | -124.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 164 | E | 30.9 | Very low | 31.9 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | | | trans | 40.4 | 129.2 | 134.4 | -67.8 | 176.7 | 95.7 | 0 | 0 | 122.8 | R166 | E164-R166 IonicContact OE1-NE 3.75Š|
| 165 | K | 30.3 | Very low | 31.8 | Very low | 208 Ų | 208 | 145.4 Ų | 145.4 | 90% | 0.904 | 76% | 0.758 | S | S | * | * | | | | -148.6 | 122.6 | 98.4 | -135.2 | 167.2 | -173.6 | 171.1 | 0 | 115.6 | | |
| 166 | R | 32 | Very low | 31.1 | Very low | 209 Ų | 209 | 147.5 Ų | 147.5 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | | | trans | -24.9 | 155.6 | 156.1 | -71.8 | 165.8 | 174.7 | -100.9 | -2.1 | 116.4 | E164 | E164-R166 IonicContact OE1-NE 3.75Š|
| 167 | A | 29.8 | Very low | 31.1 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | cis | -151 | -177.5 | 7.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 168 | R | 29.8 | Very low | 30.9 | Very low | 227 Ų | 227 | 146.2 Ų | 146.2 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | cis | -165.6 | 159.8 | 26.5 | -148.7 | -173.1 | -149.9 | -175.7 | 5.7 | 110.3 | | |
| 169 | S | 31.1 | Very low | 31 | Very low | 82 Ų | 82 | 151.5 Ų | 151.5 | 57% | 0.573 | 77% | 0.766 | S | S | * | * | | | trans | 29.2 | 136.6 | 148.7 | 54.4 | 0 | 0 | 0 | 0 | 121 | | |
| 170 | E | 28.7 | Very low | 31 | Very low | 188 Ų | 188 | 153 Ų | 153 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | | | cis | -167.7 | 173 | 3.5 | -118.6 | 160.2 | 112.9 | 0 | 0 | 109.4 | | |
| 171 | S | 26.7 | Very low | 30.8 | Very low | 109 Ų | 109 | 153.8 Ų | 153.8 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | -163.1 | -174.7 | 179.1 | 74.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 172 | P | 45.5 | Very low | 30.7 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | cis | -125.4 | 166.8 | -31.4 | 37.4 | -24.8 | 0 | 0 | 0 | 112 | | |
| 173 | Q | 27.9 | Very low | 30.7 | Very low | 207 Ų | 207 | 150.3 Ų | 150.3 | 97% | 0.967 | 76% | 0.764 | S | S | * | * | | | trans | -145.6 | 160.8 | 153.7 | -76.8 | -154.9 | -6.5 | 0 | 0 | 111.7 | | |
| 174 | D | 28.4 | Very low | 30.5 | Very low | 147 Ų | 147 | 151.1 Ų | 151.1 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -119.9 | 158.3 | -153.7 | -135.2 | -35.5 | 0 | 0 | 0 | 114.1 | | |
| 175 | L | 29.3 | Very low | 30.3 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | | | trans | 29.2 | 114.3 | 150.6 | -105.8 | 161.8 | 0 | 0 | 0 | 120.9 | | |
| 176 | L | 31.7 | Very low | 30.3 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | | 159.9 | 149.4 | 115.3 | -86.5 | 168.4 | 0 | 0 | 0 | 117.3 | | |
| 177 | R | 32.8 | Very low | 30.2 | Very low | 223 Ų | 223 | 141.4 Ų | 141.4 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | | | trans | 68.1 | 96.9 | 139.5 | -173 | -179.2 | 168.2 | 176.3 | -4 | 122.2 | | |
| 178 | V | 27.7 | Very low | 30.4 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | | 38 | 129.8 | 110.5 | 177.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 179 | R | 29.5 | Very low | 30.7 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | 101.8 | 111.3 | 152.6 | -92.3 | -178.2 | 87.5 | -176.7 | 4.7 | 121.5 | | |
| 180 | Q | 32 | Very low | 31.8 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 54% | 0.542 | 79% | 0.793 | S | S | . | * | | | | 88.6 | 137.7 | 117.2 | -166.5 | 151.7 | 2.8 | 0 | 0 | 122.6 | | |
| 181 | E | 29.8 | Very low | 31.9 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | 66.4 | 136.7 | 163 | -84.8 | 150.7 | -149.1 | 0 | 0 | 118.2 | | |
| 182 | V | 27.9 | Very low | 32 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | | -147.6 | 163.1 | 72.5 | 157.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 183 | A | 29.4 | Very low | 31.4 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | trans | -126.4 | 158.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 184 | A | 28.4 | Very low | 31.4 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -148.6 | 120.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 185 | A | 28.1 | Very low | 31.4 | Very low | 102 Ų | 102 | 136 Ų | 136 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | | 74.6 | 145.3 | 83.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 186 | A | 29 | Very low | 31.3 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | cis | -159 | 167.8 | 15.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 187 | L | 30.7 | Very low | 31.5 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | cis | -168.8 | -177.6 | -8.6 | -116.6 | 173.6 | 0 | 0 | 0 | 109 | | |
| 188 | R | 34.6 | Very low | 32.1 | Very low | 246 Ų | 246 | 133.7 Ų | 133.7 | 93% | 0.928 | 79% | 0.785 | S | S | * | * | | | trans | 82 | 147.8 | 172.8 | -49.7 | 174.2 | -177.9 | 159.4 | 0.7 | 115.8 | | |
| 189 | G | 34.6 | Very low | 32.1 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | cis | -173.6 | 160.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 190 | P | 55.9 | Low | 32.1 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -116.7 | 157.2 | -152.5 | 40.6 | -31.2 | 0 | 0 | 0 | 117.1 | | |
| 191 | S | 29.7 | Very low | 32.2 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 92% | 0.923 | 79% | 0.794 | S | S | * | * | | | trans | -175.9 | 160.9 | 151.7 | -72.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 192 | G | 28.2 | Very low | 32.5 | Very low | 65 Ų | 65 | 126.1 Ų | 126.1 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | | | cis | 154.2 | 108.1 | -11.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 193 | L | 33.9 | Very low | 32.6 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | trans | 64.7 | 164.4 | 168.1 | -50.4 | 178.2 | 0 | 0 | 0 | 116.9 | | |
| 194 | E | 28.3 | Very low | 32.9 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | cis | -159.8 | 161.7 | -46.3 | -165.2 | 170.8 | 82.7 | 0 | 0 | 109.9 | | |
| 195 | A | 27.8 | Very low | 33.2 | Very low | 68 Ų | 68 | 132.2 Ų | 132.2 | 56% | 0.562 | 80% | 0.8 | S | S | * | * | | | trans | 83.8 | 150 | 150.4 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 196 | H | 28.1 | Very low | 33.6 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | trans | 79.5 | 122.2 | 157.8 | -56.7 | -58.6 | 0 | 0 | 0 | 123.1 | | |
| 197 | L | 34.3 | Very low | 34.2 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -99.7 | 172.4 | 158.2 | -60.6 | 168.5 | 0 | 0 | 0 | 109.3 | | |
| 198 | P | 45.7 | Very low | 34.5 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | | -155.5 | 157.9 | 94.5 | 39.2 | -21.3 | 0 | 0 | 0 | 118.3 | | |
| 199 | S | 28.6 | Very low | 34.4 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | 64.7 | 161.3 | 146.2 | -72.1 | 0 | 0 | 0 | 0 | 121 | | |
| 200 | S | 29.7 | Very low | 34.2 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | | | cis | -174.2 | 147.9 | -25.9 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 201 | T | 33.6 | Very low | 33 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | | 170.9 | 155.3 | 90.1 | 36.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 202 | A | 35.6 | Very low | 33.1 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | 51.3 | 145.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 203 | G | 31.2 | Very low | 33.1 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | cis | -164.8 | 175.3 | 2.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 204 | Q | 34.3 | Very low | 33.2 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | | | trans | -81.6 | 172.1 | -167.4 | -58.2 | 152.3 | -40 | 0 | 0 | 113.1 | | |
| 205 | R | 34.4 | Very low | 33.2 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | | | | 173.1 | 126.8 | 78.7 | -175.9 | 175.9 | -157.8 | -115.3 | 13.1 | 115.7 | | |
| 206 | R | 38.1 | Very low | 33.3 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | | | trans | 67.9 | 142.4 | 161.4 | -65.3 | 171.9 | -179.1 | -164 | -4.3 | 117.2 | | |
| 207 | K | 41.2 | Very low | 33.4 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | | | cis | 78 | 139 | 32.5 | -65.1 | -172.4 | 169.8 | -167.3 | 0 | 113.6 | | |
| 208 | Q | 36.2 | Very low | 33.3 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | cis | -169.2 | 170.1 | 9.9 | -124.5 | 165.9 | -49.1 | 0 | 0 | 111.6 | | |
| 209 | G | 32.2 | Very low | 33.7 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | trans | 104.5 | 139.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 210 | L | 31.2 | Very low | 34.1 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 95% | 0.948 | 76% | 0.764 | S | S | * | * | | | cis | 60.4 | 137.9 | 28.7 | -82 | 85.9 | 0 | 0 | 0 | 115.3 | | |
| 211 | A | 30.4 | Very low | 34.2 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | | | cis | -170.5 | 164.8 | -14.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 212 | Q | 31.3 | Very low | 34.1 | Very low | 186 Ų | 186 | 131.2 Ų | 131.2 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | | | trans | 66 | 164.7 | 155.8 | -75.3 | -175.5 | 26 | 0 | 0 | 117.5 | | |
| 213 | H | 28.7 | Very low | 34.5 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 63% | 0.625 | 77% | 0.774 | S | S | * | * | | | cis | -176.6 | 155.3 | -22.5 | 167.8 | -145.8 | 0 | 0 | 0 | 109.7 | | |
| 214 | R | 36 | Very low | 34.6 | Very low | 161 Ų | 161 | 134 Ų | 134 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | | | trans | 87.6 | 136 | 146.5 | -130.3 | 176.6 | 168.4 | 72.2 | 8.6 | 122.6 | | |
| 215 | E | 29.2 | Very low | 34.3 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | 49.4 | 152.5 | 146.8 | -78.5 | 158 | -178.7 | 0 | 0 | 122.1 | | |
| 216 | G | 30.3 | Very low | 34.1 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | | | cis | 167.9 | -177.7 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 217 | A | 29.4 | Very low | 33.6 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | | | trans | 71.6 | 153.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 218 | A | 31.6 | Very low | 33.3 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | | | trans | -118.3 | -173 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 219 | P | 55 | Low | 32.9 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | | | | -158.5 | -176.2 | 51.6 | 44.6 | -21.8 | 0 | 0 | 0 | 119.3 | | |
| 220 | A | 35.9 | Very low | 32.8 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | trans | 81 | 147.9 | 138.6 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 221 | A | 31.7 | Very low | 33.4 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | | | trans | 85.5 | 150.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 222 | A | 32.9 | Very low | 33.7 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | trans | -149.2 | 168.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 223 | P | 43.3 | Very low | 33.7 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 89% | 0.89 | 74% | 0.742 | S | S | * | * | | | | -146.9 | -158.4 | 127.1 | 38.5 | -20.6 | 0 | 0 | 0 | 115 | | |
| 224 | S | 32.3 | Very low | 34.3 | Very low | 105 Ų | 105 | 125 Ų | 125 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | -138.4 | -159.8 | -162.9 | 61.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 225 | F | 29.6 | Very low | 35.2 | Very low | 193 Ų | 193 | 122.7 Ų | 122.7 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | | | trans | 80.7 | 150.5 | 178.1 | -89.7 | -123.6 | 0 | 0 | 0 | 117.9 | | |
| 226 | S | 30.1 | Very low | 35.1 | Very low | 80 Ų | 80 | 123.7 Ų | 123.7 | 56% | 0.559 | 76% | 0.762 | S | S | * | * | | | cis | -163 | 168.5 | -17.7 | -141.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 227 | E | 26.3 | Very low | 35.3 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | | | trans | 26 | 132.2 | 149.1 | -72.1 | -179.9 | 103.4 | 0 | 0 | 125.5 | | |
| 228 | R | 36.2 | Very low | 35.6 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | | 81.6 | 154.3 | 99.4 | -65 | 175.9 | 80.6 | 137.9 | 4 | 115.7 | | |
| 229 | E | 28.3 | Very low | 35.9 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 56% | 0.561 | 77% | 0.768 | S | S | * | * | | | cis | -162.9 | 158.3 | 4.4 | -134.6 | 172.5 | 148.8 | 0 | 0 | 116.1 | | |
| 230 | L | 30 | Very low | 35 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 54.8 | 169.4 | 148 | -109.5 | 60.6 | 0 | 0 | 0 | 121.8 | | |
| 231 | P | 43.6 | Very low | 34.7 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | cis | -130.3 | -169.3 | -11.7 | 39 | -19.1 | 0 | 0 | 0 | 116.4 | | |
| 232 | Q | 35.7 | Very low | 34.7 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | -97.5 | 174.7 | -174 | -56.2 | 177.2 | -71.1 | 0 | 0 | 115.4 | | |
| 233 | P | 31.3 | Very low | 35 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | | | | -136.6 | 173.3 | 111.5 | 40.1 | -31.1 | 0 | 0 | 0 | 115.7 | | |
| 234 | P | 41.4 | Very low | 34.9 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -119.1 | -149.5 | -165.4 | 44.8 | -28.9 | 0 | 0 | 0 | 114.4 | | |
| 235 | P | 54.3 | Low | 35.1 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | | | | -128.8 | 174.5 | -110.2 | 40.3 | -21.2 | 0 | 0 | 0 | 116.8 | | |
| 236 | L | 29 | Very low | 35.2 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | | | trans | -144.4 | 163.7 | 155.4 | -84 | -171.8 | 0 | 0 | 0 | 112.9 | | |
| 237 | L | 34.5 | Very low | 35.9 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | trans | -88.9 | 165 | -153 | -66.1 | 163.4 | 0 | 0 | 0 | 116.9 | | |
| 238 | S | 35.7 | Very low | 36.2 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | -80.8 | 172.3 | 178.9 | -28 | 0 | 0 | 0 | 0 | 114.8 | | |
| 239 | P | 36.7 | Very low | 36.8 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -104.1 | 162.2 | 138.8 | 35.1 | -30.6 | 0 | 0 | 0 | 112.5 | | |
| 240 | Q | 37.1 | Very low | 37.5 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -83.3 | 159.8 | -179.9 | -56.5 | 155.4 | 21.1 | 0 | 0 | 109.2 | | |
| 241 | N | 29.8 | Very low | 37.8 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | | -176.8 | 110.6 | 50.7 | -169.2 | -10.5 | 0 | 0 | 0 | 109.3 | | |
| 242 | A | 30.5 | Very low | 37.4 | Very low | 80 Ų | 80 | 141.2 Ų | 141.2 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | | | trans | -157.7 | 99.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H244 | A242-H244 PolarHBondContact O-N 3.13Å; A242-H244 PolarHBondContact O-ND1 2.88Å |
| 243 | P | 39.1 | Very low | 37.6 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | trans | -75.8 | 107.2 | 174.3 | 29.7 | -32.3 | 0 | 0 | 0 | 111.7 | | |
| 244 | H | 41.8 | Very low | 38.4 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | | | trans | -63.3 | 169.7 | 146.7 | 46.1 | -74 | 0 | 0 | 0 | 108.8 | A242 | A242-H244 PolarHBondContact O-N 3.13Å; A242-H244 PolarHBondContact O-ND1 2.88Å |
| 245 | V | 35.4 | Very low | 38.5 | Very low | 133 Ų | 133 | 142 Ų | 142 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | | | | -152.9 | 164.1 | 73.5 | -161.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 246 | A | 33.3 | Very low | 38.1 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -78.9 | -179.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 247 | L | 43.7 | Very low | 38.5 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 97% | 0.969 | 80% | 0.803 | S | S | * | * | | | trans | -77.1 | 153.7 | -176.5 | -62.8 | 163.6 | 0 | 0 | 0 | 114 | | |
| 248 | G | 32.5 | Very low | 38.9 | Very low | 70 Ų | 70 | 138.9 Ų | 138.9 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -146.3 | 147.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 249 | P | 49 | Very low | 39.7 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | | | trans | -106.4 | 160.6 | -162.7 | 40.5 | -36.6 | 0 | 0 | 0 | 116.1 | | |
| 250 | H | 44.1 | Very low | 39.7 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | 61 | 112.8 | 165.8 | -52.2 | -66.1 | 0 | 0 | 0 | 119.3 | | |
| 251 | L | 35.5 | Very low | 40.4 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | | -159.1 | 171.5 | 129.6 | -107.5 | 171.4 | 0 | 0 | 0 | 110.3 | | |
| 252 | R | 34.4 | Very low | 41.2 | Very low | 222 Ų | 222 | 135.4 Ų | 135.4 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70 | 152.9 | -171.6 | -82.3 | -177.1 | 167.6 | 89.1 | -3.9 | 113.9 | | |
| 253 | P | 40.5 | Very low | 41.7 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 136.9 | 165 | 32.5 | -33.3 | 0 | 0 | 0 | 111.6 | | |
| 254 | P | 48.9 | Very low | 41.7 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 145.9 | 152.9 | 33.4 | -30.3 | 0 | 0 | 0 | 110.1 | | |
| 255 | F | 43.3 | Very low | 41.5 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 83% | 0.833 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 169.7 | 168.9 | -90.2 | -99.7 | 0 | 0 | 0 | 111.3 | | |
| 256 | L | 45 | Very low | 42.3 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | | | trans | 80.9 | 134.8 | 165.3 | -46.6 | 179 | 0 | 0 | 0 | 117.4 | | |
| 257 | G | 38.2 | Very low | 42.9 | Very low | 66 Ų | 66 | 138.8 Ų | 138.8 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | | | trans | 128.4 | 56 | 137.5 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 258 | V | 41.7 | Very low | 43.3 | Very low | 150 Ų | 150 | 141 Ų | 141 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | 57 | 162.7 | 156.1 | -85.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 259 | P | 52.1 | Low | 44.3 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | | | trans | -107.7 | 152 | -165.6 | 39.2 | -33.5 | 0 | 0 | 0 | 116 | | |
| 260 | S | 38.3 | Very low | 44.7 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | | | trans | -153.4 | 123.1 | 144.8 | -75.3 | 0 | 0 | 0 | 0 | 107 | | |
| 261 | A | 50.3 | Low | 45.4 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | | 68.3 | 72.1 | 58.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 262 | L | 48.2 | Very low | 47.3 | Very low | 174 Ų | 174 | 135 Ų | 135 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | | | trans | -171.4 | 77.7 | 155.9 | -108.3 | 170.1 | 0 | 0 | 0 | 111.3 | | |
| 263 | C | 39.5 | Very low | 48.9 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 86% | 0.858 | 77% | 0.772 | S | S | * | * | | | trans | -164.6 | 58.4 | 167.5 | -130.2 | 0 | 0 | 0 | 0 | 112.4 | T265 | C263-T265 PolarHBondContact O-N 3.38Š|
| 264 | Q | 39.8 | Very low | 50.3 | Low | 199 Ų | 199 | 126.4 Ų | 126.4 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | | | trans | -91.4 | 97.1 | 173.5 | -68.8 | -170.3 | 25.4 | 0 | 0 | 111 | | |
| 265 | T | 38 | Very low | 51.4 | Low | 126 Ų | 126 | 125.3 Ų | 125.3 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | trans | -89.6 | 128.4 | 156.7 | 36 | 0 | 0 | 0 | 0 | 109 | C263 G267 | C263-T265 PolarHBondContact O-N 3.38Å; T265-G267 PolarHBondContact O-N 3.13Å |
| 266 | P | 51.1 | Low | 53.1 | Low | 138 Ų | 138 | 118.1 Ų | 118.1 | 90% | 0.896 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 129.6 | -178 | -19.2 | 32.1 | 0 | 0 | 0 | 112.4 | | |
| 267 | G | 46.7 | Very low | 54.8 | Low | 74 Ų | 74 | 115.7 Ų | 115.7 | 76% | 0.763 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.9 | -28.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | T265 | T265-G267 PolarHBondContact O-N 3.13Š|
| 268 | Y | 52.7 | Low | 56.6 | Low | 231 Ų | 231 | 118.5 Ų | 118.5 | 91% | 0.906 | 70% | 0.704 | S | S | * | * | | | trans | -124.5 | 95.1 | -178.7 | -89.6 | -89.1 | 0 | 0 | 0 | 112.2 | F270 | Y268-F270 PolarHBondContact O-N 3.5Š|
| 269 | G | 53.5 | Low | 58.5 | Low | 74 Ų | 74 | 116.3 Ų | 116.3 | 76% | 0.763 | 68% | 0.683 | S | S | * | * | | | trans | -74 | 114.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L271 | G269-L271 PolarHBondContact O-N 3.29Š|
| 270 | F | 57.1 | Low | 60.2 | Low | 185 Ų | 185 | 113.7 Ų | 113.7 | 81% | 0.811 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 120.1 | 169.4 | -166.8 | -89.6 | 0 | 0 | 0 | 108.5 | Y268 | Y268-F270 PolarHBondContact O-N 3.5Š|
| 271 | L | 57.8 | Low | 62.7 | Low | 73 Ų | 73 | 116.9 Ų | 116.9 | 38% | 0.382 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 133.4 | 177 | -68 | 176.6 | 0 | 0 | 0 | 109.4 | G269 Q275 A276 | G269-L271 PolarHBondContact O-N 3.29Å; L271-Q275 HydrophobicContact CB-CB 4.47Å; L271-Q275 HydrophobicContact CD2-CG 4.28Å; L271-A276 HydrophobicContact CB-CB 4.15Å |
| 272 | P | 75.2 | Confident | 64.7 | Low | 76 Ų | 76 | 118.3 Ų | 118.3 | 49% | 0.494 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -51 | 142.2 | 170.9 | -26.8 | 34.9 | 0 | 0 | 0 | 110.6 | A274 Q275 A276 | P272-A274 VanDerWaalsContact C-N 3.31Å; P272-A274 PolarHBondContact O-N 3.17Å; P272-A274 VanDerWaalsContact O-N 3.11Å; P272-Q275 WeakPolarHBondContact O-CA 3.38Å; P272-Q275 WeakPolarHBondContact O-CB 3.45Å; P272-Q275 PolarHBondContact O-N 2.93Å; P272-A276 PolarHBondContact O-N 3.42Å |
| 273 | P | 68.7 | Low | 66.7 | Low | 86 Ų | 86 | 114.4 Ų | 114.4 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -50.1 | -45 | -170.2 | -32.3 | 36.6 | 0 | 0 | 0 | 114.7 | Q275 A276 E277 | P273-Q275 VanDerWaalsContact C-N 3.28Å; P273-Q275 PolarHBondContact O-N 3.31Å; P273-A276 WeakPolarHBondContact O-CB 3.25Å; P273-A276 PolarHBondContact O-N 2.96Å; P273-A276 VanDerWaalsContact O-N 3.13Å; P273-E277 WeakPolarHBondContact O-CB 3.33Å; P273-E277 WeakPolarHBondContact O-CG 3.36Å; P273-E277 PolarHBondContact O-N 3.3Å |
| 274 | A | 70.9 | Confident | 69.2 | Low | 63 Ų | 63 | 111.2 Ų | 111.2 | 52% | 0.521 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.2 | -33.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P272 M278 | P272-A274 VanDerWaalsContact C-N 3.31Å; P272-A274 PolarHBondContact O-N 3.17Å; P272-A274 VanDerWaalsContact O-N 3.11Å; A274-M278 WeakPolarHBondContact O-CB 3.42Å; A274-M278 WeakPolarHBondContact O-CE 3.37Å; A274-M278 VanDerWaalsContact O-CG 3.32Å; A274-M278 WeakPolarHBondContact O-CG 3.39Å; A274-M278 PolarHBondContact O-N 3.33Å |
| 275 | Q | 71.6 | Confident | 71.8 | Confident | 102 Ų | 102 | 107.4 Ų | 107.4 | 48% | 0.477 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -78.4 | -33.7 | 176.1 | -165.4 | 175.4 | 16.6 | 0 | 0 | 112 | L271 P272 P273 F279 | L271-Q275 HydrophobicContact CB-CB 4.47Å; L271-Q275 HydrophobicContact CD2-CG 4.28Å; P272-Q275 WeakPolarHBondContact O-CA 3.38Å; P272-Q275 WeakPolarHBondContact O-CB 3.45Å; P272-Q275 PolarHBondContact O-N 2.93Å; P273-Q275 VanDerWaalsContact C-N 3.28Å; P273-Q275 PolarHBondContact O-N 3.31Å; Q275-F279 WeakPolarHBondContact O-CB 3.48Å; Q275-F279 PolarHBondContact O-N 2.96Å |
| 276 | A | 78.4 | Confident | 74.4 | Confident | 38 Ų | 38 | 105.3 Ų | 105.3 | 31% | 0.314 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.8 | -41.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L271 P272 P273 F279 A280 | L271-A276 HydrophobicContact CB-CB 4.15Å; P272-A276 PolarHBondContact O-N 3.42Å; P273-A276 WeakPolarHBondContact O-CB 3.25Å; P273-A276 PolarHBondContact O-N 2.96Å; P273-A276 VanDerWaalsContact O-N 3.13Å; A276-F279 PolarHBondContact O-N 3.01Å; A276-A280 WeakPolarHBondContact O-CB 3.39Å; A276-A280 PolarHBondContact O-N 2.77Å |
| 277 | E | 80.3 | Confident | 76.4 | Confident | 123 Ų | 123 | 105.2 Ų | 105.2 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.6 | -46 | 174.1 | -75 | 170 | -156.4 | 0 | 0 | 111.9 | P273 F279 A280 W281 | P273-E277 WeakPolarHBondContact O-CB 3.33Å; P273-E277 WeakPolarHBondContact O-CG 3.36Å; P273-E277 PolarHBondContact O-N 3.3Å; E277-F279 VanDerWaalsContact C-N 3.32Å; E277-F279 PolarHBondContact O-N 2.9Å; E277-A280 PolarHBondContact O-N 2.95Å; E277-W281 WeakPolarHBondContact O-CB 3.46Å; E277-W281 PolarHBondContact O-N 3.31Å |
| 278 | M | 76.3 | Confident | 78.5 | Confident | 125 Ų | 125 | 106.7 Ų | 106.7 | 62% | 0.616 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.7 | -39.8 | 173.9 | -76.8 | -173.4 | -69.5 | 0 | 0 | 112.2 | A274 W281 Q282 | A274-M278 WeakPolarHBondContact O-CB 3.42Å; A274-M278 WeakPolarHBondContact O-CE 3.37Å; A274-M278 VanDerWaalsContact O-CG 3.32Å; A274-M278 WeakPolarHBondContact O-CG 3.39Å; A274-M278 PolarHBondContact O-N 3.33Å; M278-W281 PolarHBondContact O-N 3.21Å; M278-Q282 WeakPolarHBondContact O-CB 3.5Å; M278-Q282 PolarHBondContact O-N 2.91Å |
| 279 | F | 82.5 | Confident | 80.2 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 175.4 | -173 | -100.8 | 0 | 0 | 0 | 112.3 | Q275 A276 E277 Q282 Q283 | Q275-F279 WeakPolarHBondContact O-CB 3.48Å; Q275-F279 PolarHBondContact O-N 2.96Å; A276-F279 PolarHBondContact O-N 3.01Å; E277-F279 VanDerWaalsContact C-N 3.32Å; E277-F279 PolarHBondContact O-N 2.9Å; F279-Q282 WeakPolarHBondContact O-CB 3.35Å; F279-Q282 PolarHBondContact O-N 2.84Å; F279-Q283 HydrophobicContact CD1-CG 4.16Å; F279-Q283 HydrophobicContact CE1-CG 3.83Å; F279-Q283 HydrophobicContact CZ-CG 4.16Å; F279-Q283 VanDerWaalsContact CZ-NE2 3.27Å; F279-Q283 WeakPolarHBondContact O-CG 3.45Å; F279-Q283 PolarHBondContact O-N 2.91Å |
| 280 | A | 88.4 | Confident | 81.7 | Confident | 58 Ų | 58 | 100.9 Ų | 100.9 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A276 E277 Q283 E284 | A276-A280 WeakPolarHBondContact O-CB 3.39Å; A276-A280 PolarHBondContact O-N 2.77Å; E277-A280 PolarHBondContact O-N 2.95Å; A280-Q283 PolarHBondContact O-N 3.43Å; A280-E284 WeakPolarHBondContact O-CB 3.44Å; A280-E284 PolarHBondContact O-N 3.49Å |
| 281 | W | 90.6 | Very high | 83.1 | Confident | 183 Ų | 183 | 95.6 Ų | 95.6 | 69% | 0.693 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | 171.8 | -92.7 | 103.3 | 0 | 0 | 0 | 112.6 | E277 M278 E284 L285 | E277-W281 WeakPolarHBondContact O-CB 3.46Å; E277-W281 PolarHBondContact O-N 3.31Å; M278-W281 PolarHBondContact O-N 3.21Å; W281-E284 PolarHBondContact O-N 2.84Å; W281-L285 VanDerWaalsContact O-CB 3.26Å; W281-L285 WeakPolarHBondContact O-CB 3.42Å; W281-L285 PolarHBondContact O-N 3.44Å |
| 282 | Q | 90.5 | Very high | 83.9 | Confident | 125 Ų | 125 | 94.6 Ų | 94.6 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.1 | -42 | 175.2 | -176.7 | -178.8 | -23.5 | 0 | 0 | 111.8 | M278 F279 L286 | M278-Q282 WeakPolarHBondContact O-CB 3.5Å; M278-Q282 PolarHBondContact O-N 2.91Å; F279-Q282 WeakPolarHBondContact O-CB 3.35Å; F279-Q282 PolarHBondContact O-N 2.84Å; Q282-L286 WeakPolarHBondContact O-CB 3.27Å; Q282-L286 PolarHBondContact O-N 2.62Å |
| 283 | Q | 90.9 | Very high | 83.9 | Confident | 92 Ų | 92 | 99 Ų | 99 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 174.7 | -69.4 | -63.6 | -28.5 | 0 | 0 | 111.9 | F279 A280 L286 R287 | F279-Q283 HydrophobicContact CD1-CG 4.16Å; F279-Q283 HydrophobicContact CE1-CG 3.83Å; F279-Q283 HydrophobicContact CZ-CG 4.16Å; F279-Q283 VanDerWaalsContact CZ-NE2 3.27Å; F279-Q283 WeakPolarHBondContact O-CG 3.45Å; F279-Q283 PolarHBondContact O-N 2.91Å; A280-Q283 PolarHBondContact O-N 3.43Å; Q283-L286 PolarHBondContact O-N 2.81Å; Q283-R287 WeakPolarHBondContact O-CB 3.32Å; Q283-R287 PolarHBondContact O-N 3.27Å |
| 284 | E | 92.2 | Very high | 84.1 | Confident | 59 Ų | 59 | 100.8 Ų | 100.8 | 28% | 0.276 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 177.9 | 178.7 | 58.9 | -169.5 | 0 | 0 | 112.2 | A280 W281 R287 K288 | A280-E284 WeakPolarHBondContact O-CB 3.44Å; A280-E284 PolarHBondContact O-N 3.49Å; W281-E284 PolarHBondContact O-N 2.84Å; E284-R287 PolarHBondContact O-N 3.39Å; E284-R287 IonicContact OE1-CZ 2.7Å; E284-R287 IonicContact OE1-NE 3.52Å; E284-R287 IonicContact OE1-NH2 2.75Å; E284-R287 PolarHBondContact OE1-NH2 3.09Å; E284-R287 IonicContact OE2-CZ 2.67Å; E284-R287 IonicContact OE2-NE 3.79Å; E284-R287 PolarHBondContact OE2-NE 2.96Å; E284-R287 IonicContact OE2-NH2 3.51Å; E284-R287 PolarHBondContact OE2-NH2 3.23Å; E284-K288 HydrophobicContact CG-CD 4.48Å; E284-K288 WeakPolarHBondContact O-CB 3.49Å; E284-K288 WeakPolarHBondContact O-CG 3.29Å; E284-K288 PolarHBondContact O-N 2.94Å; E284-K288 WeakPolarHBondContact OE1-CE 3.49Å; E284-K288 IonicContact OE1-NZ 2.9Å |
| 285 | L | 94.8 | Very high | 84.1 | Confident | 120 Ų | 120 | 102.4 Ų | 102.4 | 63% | 0.628 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 173.6 | -176.4 | 61.8 | 0 | 0 | 0 | 111.4 | W281 R287 K288 Q289 | W281-L285 VanDerWaalsContact O-CB 3.26Å; W281-L285 WeakPolarHBondContact O-CB 3.42Å; W281-L285 PolarHBondContact O-N 3.44Å; L285-R287 VanDerWaalsContact C-N 3.34Å; L285-K288 PolarHBondContact O-N 3.06Å; L285-Q289 WeakPolarHBondContact O-CB 2.93Å; L285-Q289 PolarHBondContact O-N 2.93Å |
| 286 | L | 93.3 | Very high | 83.9 | Confident | 82 Ų | 82 | 103.4 Ų | 103.4 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 174.4 | -176.2 | 62.4 | 0 | 0 | 0 | 111.8 | Q282 Q283 N290 | Q282-L286 WeakPolarHBondContact O-CB 3.27Å; Q282-L286 PolarHBondContact O-N 2.62Å; Q283-L286 PolarHBondContact O-N 2.81Å; L286-N290 PolarHBondContact O-N 3.32Å; L286-N290 PolarHBondContact O-ND2 2.92Å |
| 287 | R | 91.3 | Very high | 83.3 | Confident | 136 Ų | 136 | 105 Ų | 105 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 174 | -165.8 | -174.3 | 70.5 | 82.8 | 3.8 | 111.2 | Q283 E284 L285 N290 L291 | Q283-R287 WeakPolarHBondContact O-CB 3.32Å; Q283-R287 PolarHBondContact O-N 3.27Å; E284-R287 PolarHBondContact O-N 3.39Å; E284-R287 IonicContact OE1-CZ 2.7Å; E284-R287 IonicContact OE1-NE 3.52Å; E284-R287 IonicContact OE1-NH2 2.75Å; E284-R287 PolarHBondContact OE1-NH2 3.09Å; E284-R287 IonicContact OE2-CZ 2.67Å; E284-R287 IonicContact OE2-NE 3.79Å; E284-R287 PolarHBondContact OE2-NE 2.96Å; E284-R287 IonicContact OE2-NH2 3.51Å; E284-R287 PolarHBondContact OE2-NH2 3.23Å; L285-R287 VanDerWaalsContact C-N 3.34Å; R287-N290 PolarHBondContact O-N 3.45Å; R287-L291 WeakPolarHBondContact O-CB 3.3Å; R287-L291 PolarHBondContact O-N 2.9Å |
| 288 | K | 91.3 | Very high | 82.6 | Confident | 105 Ų | 105 | 101.5 Ų | 101.5 | 46% | 0.457 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 175.3 | -73.8 | 178.1 | -175.8 | -179.9 | 0 | 112.4 | E284 L285 N290 L291 A292 | E284-K288 HydrophobicContact CG-CD 4.48Å; E284-K288 WeakPolarHBondContact O-CB 3.49Å; E284-K288 WeakPolarHBondContact O-CG 3.29Å; E284-K288 PolarHBondContact O-N 2.94Å; E284-K288 WeakPolarHBondContact OE1-CE 3.49Å; E284-K288 IonicContact OE1-NZ 2.9Å; L285-K288 PolarHBondContact O-N 3.06Å; K288-N290 VanDerWaalsContact C-N 3.34Å; K288-N290 PolarHBondContact O-N 3.48Å; K288-L291 PolarHBondContact O-N 3.4Å; K288-A292 PolarHBondContact O-N 3.22Å |
| 289 | Q | 89.2 | Confident | 82.1 | Confident | 120 Ų | 120 | 100.4 Ų | 100.4 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | 176.1 | -173.7 | -173.5 | 81.6 | 0 | 0 | 111.7 | L285 R293 | L285-Q289 WeakPolarHBondContact O-CB 2.93Å; L285-Q289 PolarHBondContact O-N 2.93Å; Q289-R293 VanDerWaalsContact O-CG 3.32Å; Q289-R293 WeakPolarHBondContact O-CG 3.39Å; Q289-R293 PolarHBondContact O-N 3.18Å |
| 290 | N | 83.8 | Confident | 81.5 | Confident | 62 Ų | 62 | 100.9 Ų | 100.9 | 33% | 0.332 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72 | -32.3 | 176.9 | -76.2 | -66.5 | 0 | 0 | 0 | 112.9 | L286 R287 K288 R293 L294 | L286-N290 PolarHBondContact O-N 3.32Å; L286-N290 PolarHBondContact O-ND2 2.92Å; R287-N290 PolarHBondContact O-N 3.45Å; K288-N290 VanDerWaalsContact C-N 3.34Å; K288-N290 PolarHBondContact O-N 3.48Å; N290-R293 PolarHBondContact O-N 3.21Å; N290-R293 PolarHBondContact OD1-NH1 3.45Å; N290-L294 WeakPolarHBondContact O-CG 3.4Å; N290-L294 PolarHBondContact O-N 3.42Å |
| 291 | L | 86.3 | Confident | 80.5 | Confident | 75 Ų | 75 | 103.7 Ų | 103.7 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -49.5 | 173.2 | -175.7 | 63.8 | 0 | 0 | 0 | 111.5 | R287 K288 R293 L294 E295 | R287-L291 WeakPolarHBondContact O-CB 3.3Å; R287-L291 PolarHBondContact O-N 2.9Å; K288-L291 PolarHBondContact O-N 3.4Å; L291-R293 PolarHBondContact O-N 3.04Å; L291-L294 CarbonylContact O-C 3.6Å; L291-L294 WeakPolarHBondContact O-CA 3.42Å; L291-L294 WeakPolarHBondContact O-CB 3.47Å; L291-L294 PolarHBondContact O-N 2.86Å; L291-E295 HydrophobicContact CD1-CG 4.42Å; L291-E295 HydrophobicContact CG-CG 4.32Å; L291-E295 WeakPolarHBondContact CG-OE1 3.37Å; L291-E295 WeakPolarHBondContact O-CG 3.36Å; L291-E295 PolarHBondContact O-N 2.99Å |
| 292 | A | 76.4 | Confident | 79.7 | Confident | 51 Ų | 51 | 103.5 Ų | 103.5 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -30.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | K288 L294 L296 | K288-A292 PolarHBondContact O-N 3.22Å; A292-L294 VanDerWaalsContact C-N 3.25Å; A292-L294 PolarHBondContact O-N 2.79Å; A292-L296 PolarHBondContact O-N 3.18Å |
| 293 | R | 73.4 | Confident | 78.9 | Confident | 168 Ų | 168 | 103.8 Ų | 103.8 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71 | -14.8 | 172.4 | -75.2 | 179.4 | 67.9 | -127.8 | -3.5 | 114.3 | Q289 N290 L291 P297 | Q289-R293 VanDerWaalsContact O-CG 3.32Å; Q289-R293 WeakPolarHBondContact O-CG 3.39Å; Q289-R293 PolarHBondContact O-N 3.18Å; N290-R293 PolarHBondContact O-N 3.21Å; N290-R293 PolarHBondContact OD1-NH1 3.45Å; L291-R293 PolarHBondContact O-N 3.04Å; R293-P297 VanDerWaalsContact O-CD 3.24Å; R293-P297 WeakPolarHBondContact O-CD 3.3Å; R293-P297 WeakPolarHBondContact O-CG 3.46Å |
| 294 | L | 73.9 | Confident | 78.2 | Confident | 125 Ų | 125 | 106.5 Ų | 106.5 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -104.3 | -28.1 | 177.8 | -66.4 | 170.3 | 0 | 0 | 0 | 112.5 | N290 L291 A292 P297 A298 | N290-L294 WeakPolarHBondContact O-CG 3.4Å; N290-L294 PolarHBondContact O-N 3.42Å; L291-L294 CarbonylContact O-C 3.6Å; L291-L294 WeakPolarHBondContact O-CA 3.42Å; L291-L294 WeakPolarHBondContact O-CB 3.47Å; L291-L294 PolarHBondContact O-N 2.86Å; A292-L294 VanDerWaalsContact C-N 3.25Å; A292-L294 PolarHBondContact O-N 2.79Å; L294-P297 WeakPolarHBondContact O-CD 3.32Å; L294-A298 PolarHBondContact O-N 3.44Å |
| 295 | E | 70.8 | Confident | 77.2 | Confident | 97 Ų | 97 | 110.2 Ų | 110.2 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.9 | -46.6 | 173.7 | -70.6 | 167.2 | 155.4 | 0 | 0 | 111.4 | L291 A298 D299 | L291-E295 HydrophobicContact CD1-CG 4.42Å; L291-E295 HydrophobicContact CG-CG 4.32Å; L291-E295 WeakPolarHBondContact CG-OE1 3.37Å; L291-E295 WeakPolarHBondContact O-CG 3.36Å; L291-E295 PolarHBondContact O-N 2.99Å; E295-A298 WeakPolarHBondContact O-CA 3.47Å; E295-A298 WeakPolarHBondContact O-CB 3.47Å; E295-A298 PolarHBondContact O-N 3.3Å; E295-D299 PolarHBondContact O-N 3.31Å |
| 296 | L | 66.6 | Low | 75.8 | Confident | 123 Ų | 123 | 110.6 Ų | 110.6 | 64% | 0.644 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.2 | -41.1 | -176.6 | -142.7 | 158.1 | 0 | 0 | 0 | 113.5 | A292 L300 | A292-L296 PolarHBondContact O-N 3.18Å; L296-L300 WeakPolarHBondContact O-CB 3.28Å; L296-L300 PolarHBondContact O-N 3.39Å |
| 297 | P | 67 | Low | 74.4 | Confident | 71 Ų | 71 | 113 Ų | 113 | 46% | 0.461 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.1 | -31.6 | 169 | -23 | 34.8 | 0 | 0 | 0 | 114.9 | R293 L294 L301 | R293-P297 VanDerWaalsContact O-CD 3.24Å; R293-P297 WeakPolarHBondContact O-CD 3.3Å; R293-P297 WeakPolarHBondContact O-CG 3.46Å; L294-P297 WeakPolarHBondContact O-CD 3.32Å; P297-L301 PolarHBondContact O-N 3.07Å |
| 298 | A | 65.1 | Low | 72.8 | Confident | 50 Ų | 50 | 110.7 Ų | 110.7 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.2 | -40.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L294 E295 L300 L301 R302 | L294-A298 PolarHBondContact O-N 3.44Å; E295-A298 WeakPolarHBondContact O-CA 3.47Å; E295-A298 WeakPolarHBondContact O-CB 3.47Å; E295-A298 PolarHBondContact O-N 3.3Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L301 WeakPolarHBondContact O-CB 3.38Å; A298-L301 PolarHBondContact O-N 2.75Å; A298-R302 PolarHBondContact O-N 3.25Å |
| 299 | D | 66.4 | Low | 71.2 | Confident | 102 Ų | 102 | 109.4 Ų | 109.4 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -36.9 | 172.8 | -75.2 | -35.5 | 0 | 0 | 0 | 111.7 | E295 L301 R302 Q303 | E295-D299 PolarHBondContact O-N 3.31Å; D299-L301 VanDerWaalsContact C-N 3.32Å; D299-L301 PolarHBondContact O-N 2.82Å; D299-R302 PolarHBondContact O-N 3.06Å; D299-Q303 WeakPolarHBondContact O-CB 3.25Å; D299-Q303 PolarHBondContact O-N 3.12Å |
| 300 | L | 68.8 | Low | 69.5 | Low | 115 Ų | 115 | 112.8 Ų | 112.8 | 60% | 0.602 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68 | -32.1 | 176.1 | -153.6 | 145.2 | 0 | 0 | 0 | 112 | L296 A298 K304 | L296-L300 WeakPolarHBondContact O-CB 3.28Å; L296-L300 PolarHBondContact O-N 3.39Å; A298-L300 VanDerWaalsContact C-N 3.34Å; L300-K304 WeakPolarHBondContact O-CB 3.38Å; L300-K304 PolarHBondContact O-N 3.09Å; L300-K304 VanDerWaalsContact O-N 3.08Å |
| 301 | L | 68.6 | Low | 67.9 | Low | 116 Ų | 116 | 115.9 Ų | 115.9 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.8 | -47.3 | 167.2 | -86.5 | 163.6 | 0 | 0 | 0 | 112.1 | P297 A298 D299 Q303 K304 E305 | P297-L301 PolarHBondContact O-N 3.07Å; A298-L301 WeakPolarHBondContact O-CB 3.38Å; A298-L301 PolarHBondContact O-N 2.75Å; D299-L301 VanDerWaalsContact C-N 3.32Å; D299-L301 PolarHBondContact O-N 2.82Å; L301-Q303 VanDerWaalsContact C-N 3.31Å; L301-Q303 PolarHBondContact O-N 3.11Å; L301-K304 PolarHBondContact O-N 2.81Å; L301-E305 WeakPolarHBondContact O-CG 3.48Å; L301-E305 PolarHBondContact O-N 3.24Å |
| 302 | R | 73.3 | Confident | 66 | Low | 180 Ų | 180 | 121.6 Ų | 121.6 | 68% | 0.679 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.2 | -37.7 | 176.2 | -78.5 | -155.5 | 67.2 | 162.1 | 1.2 | 113.1 | A298 D299 L306 | A298-R302 PolarHBondContact O-N 3.25Å; D299-R302 PolarHBondContact O-N 3.06Å; R302-L306 WeakPolarHBondContact O-CB 3.42Å; R302-L306 PolarHBondContact O-N 3.04Å |
| 303 | Q | 73.6 | Confident | 64.4 | Low | 131 Ų | 131 | 127 Ų | 127 | 61% | 0.612 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69 | -40.6 | 176.9 | -174.6 | 172.7 | -30.4 | 0 | 0 | 110.8 | D299 L301 L306 E307 | D299-Q303 WeakPolarHBondContact O-CB 3.25Å; D299-Q303 PolarHBondContact O-N 3.12Å; L301-Q303 VanDerWaalsContact C-N 3.31Å; L301-Q303 PolarHBondContact O-N 3.11Å; Q303-L306 PolarHBondContact O-N 3.09Å; Q303-E307 WeakPolarHBondContact O-CB 3.14Å; Q303-E307 PolarHBondContact O-N 3.18Å |
| 304 | K | 75.6 | Confident | 62.8 | Low | 148 Ų | 148 | 127.1 Ų | 127.1 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -64.5 | -39.7 | 174.7 | -173.1 | 175.7 | -179.9 | -178.6 | 0 | 112.8 | L300 L301 E307 S308 | L300-K304 WeakPolarHBondContact O-CB 3.38Å; L300-K304 PolarHBondContact O-N 3.09Å; L300-K304 VanDerWaalsContact O-N 3.08Å; L301-K304 PolarHBondContact O-N 2.81Å; K304-E307 PolarHBondContact O-N 3.44Å; K304-S308 WeakPolarHBondContact O-CB 3.43Å; K304-S308 PolarHBondContact O-N 3.16Å; K304-S308 PolarHBondContact O-OG 2.91Å |
| 305 | E | 72.1 | Confident | 60.9 | Low | 138 Ų | 138 | 125.8 Ų | 125.8 | 65% | 0.645 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -57 | -51.4 | 169.8 | -73.4 | -94.1 | 106 | 0 | 0 | 110.5 | L301 E307 S308 A309 | L301-E305 WeakPolarHBondContact O-CG 3.48Å; L301-E305 PolarHBondContact O-N 3.24Å; E305-E307 VanDerWaalsContact C-N 3.28Å; E305-E307 PolarHBondContact O-N 2.62Å; E305-S308 PolarHBondContact O-N 3.31Å; E305-S308 PolarHBondContact O-OG 2.89Å; E305-A309 WeakPolarHBondContact O-CB 3.36Å; E305-A309 PolarHBondContact O-N 3.49Å |
| 306 | L | 65.3 | Low | 59.6 | Low | 127 Ų | 127 | 126.7 Ų | 126.7 | 67% | 0.665 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -62 | -33.6 | -180 | -143.7 | 83.6 | 0 | 0 | 0 | 113.2 | R302 Q303 | R302-L306 WeakPolarHBondContact O-CB 3.42Å; R302-L306 PolarHBondContact O-N 3.04Å; Q303-L306 PolarHBondContact O-N 3.09Å |
| 307 | E | 63.2 | Low | 58.1 | Low | 133 Ų | 133 | 130 Ų | 130 | 62% | 0.621 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -74.7 | -41.1 | 176.7 | -163.5 | 174.1 | 133.2 | 0 | 0 | 111.7 | Q303 K304 E305 A309 R310 | Q303-E307 WeakPolarHBondContact O-CB 3.14Å; Q303-E307 PolarHBondContact O-N 3.18Å; K304-E307 PolarHBondContact O-N 3.44Å; E305-E307 VanDerWaalsContact C-N 3.28Å; E305-E307 PolarHBondContact O-N 2.62Å; E307-A309 PolarHBondContact O-N 2.8Å; E307-R310 WeakPolarHBondContact O-CB 3.49Å; E307-R310 PolarHBondContact O-N 2.91Å |
| 308 | S | 57.8 | Low | 56.4 | Low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -65.5 | -25.8 | 174.2 | 75.3 | 0 | 0 | 0 | 0 | 113.6 | K304 E305 R310 | K304-S308 WeakPolarHBondContact O-CB 3.43Å; K304-S308 PolarHBondContact O-N 3.16Å; K304-S308 PolarHBondContact O-OG 2.91Å; E305-S308 PolarHBondContact O-N 3.31Å; E305-S308 PolarHBondContact O-OG 2.89Å; S308-R310 PolarHBondContact O-N 3.24Å |
| 309 | A | 58.8 | Low | 54.8 | Low | 77 Ų | 77 | 134.4 Ų | 134.4 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -1.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E305 E307 P311 | E305-A309 WeakPolarHBondContact O-CB 3.36Å; E305-A309 PolarHBondContact O-N 3.49Å; E307-A309 PolarHBondContact O-N 2.8Å; A309-P311 WeakPolarHBondContact O-CD 3.25Å |
| 310 | R | 53.8 | Low | 53.2 | Low | 192 Ų | 192 | 136.3 Ų | 136.3 | 73% | 0.725 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -85.4 | 111.9 | 173.8 | -62.7 | -179.8 | 71.2 | 169.8 | 1.6 | 109.8 | E307 S308 Q312 | E307-R310 WeakPolarHBondContact O-CB 3.49Å; E307-R310 PolarHBondContact O-N 2.91Å; S308-R310 PolarHBondContact O-N 3.24Å; R310-Q312 PolarHBondContact O-N 2.86Å |
| 311 | P | 49.8 | Very low | 51.4 | Low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -64 | 131.3 | 178.5 | 25.9 | -33.8 | 0 | 0 | 0 | 111 | A309 L313 | A309-P311 WeakPolarHBondContact O-CD 3.25Å; P311-L313 PolarHBondContact O-N 3.39Å |
| 312 | Q | 45.8 | Very low | 50.4 | Low | 195 Ų | 195 | 140.1 Ų | 140.1 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | | | trans | -76.4 | 113 | -179.7 | -63.6 | 177.6 | 12.5 | 0 | 0 | 110.3 | R310 | R310-Q312 PolarHBondContact O-N 2.86Š|
| 313 | L | 43.9 | Very low | 48.4 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | | | trans | -88.5 | 145.4 | 158.2 | -92.4 | 168.6 | 0 | 0 | 0 | 109.2 | P311 | P311-L313 PolarHBondContact O-N 3.39Š|
| 314 | L | 38.9 | Very low | 46.3 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | | | trans | 77.8 | 88.7 | -177.5 | -56 | 162.9 | 0 | 0 | 0 | 115.5 | | |
| 315 | A | 33.4 | Very low | 44.1 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | | | trans | -105.4 | 134 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 316 | P | 44.5 | Very low | 42.1 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -106.7 | 107.1 | 172.5 | 34.7 | -25.7 | 0 | 0 | 0 | 112.2 | | |
| 317 | E | 33.7 | Very low | 40.5 | Very low | 192 Ų | 192 | 137.3 Ų | 137.3 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | trans | -82.3 | 151.1 | 172.6 | -81.3 | -75.7 | 85.7 | 0 | 0 | 112.1 | | |
| 318 | T | 32.6 | Very low | 39.1 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -133.2 | 122.7 | -165.3 | -39.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 319 | A | 31.3 | Very low | 38 | Very low | 91 Ų | 91 | 140 Ų | 140 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | 63.9 | 165.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 320 | L | 31.7 | Very low | 36.7 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | cis | -144.1 | 179.4 | 17.2 | -84.9 | 173 | 0 | 0 | 0 | 108.9 | | |
| 321 | R | 32.4 | Very low | 36 | Very low | 213 Ų | 213 | 145.4 Ų | 145.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | cis | -148.9 | 176.5 | 0.2 | -110.8 | -71.4 | 78.3 | 133.3 | -2.8 | 106.2 | | |
| 322 | P | 46.4 | Very low | 35.4 | Very low | 98 Ų | 98 | 151.7 Ų | 151.7 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | trans | -105.6 | 166.1 | -170.9 | 40.9 | -34.9 | 0 | 0 | 0 | 115.9 | | |
| 323 | N | 31.5 | Very low | 34.8 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | | | | -162.4 | 175.6 | 124.1 | -139.3 | 18.6 | 0 | 0 | 0 | 114.4 | | |
| 324 | D | 30.2 | Very low | 34.4 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -42.1 | 156.6 | -177.8 | -84 | -83.5 | 0 | 0 | 0 | 120.9 | | |
| 325 | G | 29.5 | Very low | 34.1 | Very low | 77 Ų | 77 | 143.4 Ų | 143.4 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | 172.7 | 104.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 326 | A | 29.8 | Very low | 34.3 | Very low | 90 Ų | 90 | 146.8 Ų | 146.8 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | -64.6 | 165.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 327 | E | 32.4 | Very low | 34.1 | Very low | 191 Ų | 191 | 147.5 Ų | 147.5 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | trans | 68.7 | 146.8 | 155.2 | -76.6 | 172.2 | 167.9 | 0 | 0 | 118 | | |
| 328 | E | 32 | Very low | 34 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | cis | -157.9 | 154.2 | -1.2 | 164.1 | 59.1 | 156 | 0 | 0 | 111.3 | | |
| 329 | L | 36.2 | Very low | 34 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 63% | 0.634 | 79% | 0.792 | S | S | * | * | | | trans | 62.3 | 128.2 | 165.6 | -125.5 | 77.3 | 0 | 0 | 0 | 123.9 | | |
| 330 | Q | 31.6 | Very low | 34.1 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | | | | 106.8 | 128.8 | 126.7 | -149.2 | 59.2 | -80.7 | 0 | 0 | 121 | | |
| 331 | R | 38.2 | Very low | 34.2 | Very low | 231 Ų | 231 | 147.2 Ų | 147.2 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | | | trans | 65 | 106.8 | 177.2 | -50.8 | -155.1 | -172.6 | -105.7 | -1.2 | 118.1 | | |
| 332 | R | 37.3 | Very low | 34.3 | Very low | 259 Ų | 259 | 142.3 Ų | 142.3 | 98% | 0.977 | 80% | 0.804 | S | S | * | * | | | trans | -77.2 | 154.2 | 168.5 | -59.8 | 171.4 | 175.7 | 163.3 | -2.9 | 111.5 | | |
| 333 | G | 33.2 | Very low | 33.7 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | | | trans | 142.5 | 34.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 334 | A | 34.7 | Very low | 34.5 | Very low | 104 Ų | 104 | 140 Ų | 140 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -76.3 | 145.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 335 | L | 33 | Very low | 34.5 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | -143.2 | 129 | 166 | -132.4 | 166.3 | 0 | 0 | 0 | 108.5 | | |
| 336 | L | 38.2 | Very low | 34.6 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -88.4 | 150.9 | -171.3 | -75.3 | 166.9 | 0 | 0 | 0 | 112.7 | | |
| 337 | V | 40.5 | Very low | 34.4 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -81.3 | 135.9 | 167.6 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 338 | L | 30.8 | Very low | 34.6 | Very low | 138 Ų | 138 | 143 Ų | 143 | 72% | 0.723 | 81% | 0.808 | S | S | * | * | | | trans | 178.3 | 137.2 | 131.8 | -97.6 | 161.8 | 0 | 0 | 0 | 114.1 | | |
| 339 | N | 33.8 | Very low | 35.2 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | | | trans | 29.4 | 120.1 | 150 | -74.6 | -26.2 | 0 | 0 | 0 | 121.5 | | |
| 340 | H | 33.2 | Very low | 35.7 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | | | trans | -131.9 | 143.9 | 140 | -66.8 | -54.9 | 0 | 0 | 0 | 110.4 | | |
| 341 | G | 32.8 | Very low | 35.7 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | | | trans | -115.2 | 159.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 342 | A | 35.7 | Very low | 35.3 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | | | trans | 60.3 | 130.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 343 | A | 32.7 | Very low | 35.5 | Very low | 92 Ų | 92 | 127.4 Ų | 127.4 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -62.6 | -177.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 344 | P | 48.6 | Very low | 36.3 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | cis | -148.8 | -173.2 | 16.8 | 42.2 | -19.5 | 0 | 0 | 0 | 119.1 | | |
| 345 | L | 29.8 | Very low | 36 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | | | trans | 77.7 | 118.1 | 158.3 | -58.6 | -176.5 | 0 | 0 | 0 | 122.3 | | |
| 346 | L | 32.5 | Very low | 36.2 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | | | | 45.7 | 115.7 | 129.2 | -58.6 | 175.1 | 0 | 0 | 0 | 121.9 | | |
| 347 | A | 24.7 | Very low | 35.7 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | -156.8 | 142.1 | 136.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 348 | L | 36.8 | Very low | 36.2 | Very low | 166 Ų | 166 | 121.1 Ų | 121.1 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | -82.6 | 155.6 | 157.9 | -70.4 | 165.3 | 0 | 0 | 0 | 109 | | |
| 349 | P | 44 | Very low | 37.4 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | | | | -153.4 | -157.5 | 107.3 | 44.4 | -26.7 | 0 | 0 | 0 | 111.1 | | |
| 350 | P | 46.9 | Very low | 37.5 | Very low | 98 Ų | 98 | 119.2 Ų | 119.2 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | | | cis | -132 | -153.1 | -9.2 | 40.9 | -20.7 | 0 | 0 | 0 | 114 | | |
| 351 | Q | 32.9 | Very low | 38.1 | Very low | 185 Ų | 185 | 116 Ų | 116 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | 76.2 | 130.8 | 177.6 | -38.2 | -59.5 | 10.6 | 0 | 0 | 115.8 | | |
| 352 | G | 30.2 | Very low | 38 | Very low | 68 Ų | 68 | 117.8 Ų | 117.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | cis | 179 | 141.7 | -9.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 353 | P | 41.3 | Very low | 37.8 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -99.5 | -172 | -178.8 | 42.5 | -38.2 | 0 | 0 | 0 | 112.2 | | |
| 354 | P | 49.8 | Very low | 37.5 | Very low | 131 Ų | 131 | 124 Ų | 124 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | cis | -132.6 | -178.6 | 0.2 | 42.5 | -26.2 | 0 | 0 | 0 | 115.9 | | |
| 355 | G | 28.9 | Very low | 36.6 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -170.1 | 115.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 356 | S | 36.1 | Very low | 36.6 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | | | trans | 16.3 | 131 | 157.3 | 58.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 357 | G | 28.2 | Very low | 36.5 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -114 | -156.9 | 140.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 358 | P | 51 | Low | 36.7 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | cis | -130.3 | -144.2 | -4.6 | 46 | -27.8 | 0 | 0 | 0 | 110.1 | | |
| 359 | P | 55.5 | Low | 36.5 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | cis | -128 | -176.3 | -27.4 | 41.7 | -25.2 | 0 | 0 | 0 | 115.1 | | |
| 360 | T | 35.6 | Very low | 36.8 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | trans | -6.8 | 161.4 | 157.4 | 46.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 361 | P | 46 | Very low | 36.1 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | cis | -147.3 | -164.5 | 38.4 | 44.4 | -22.5 | 0 | 0 | 0 | 118.2 | | |
| 362 | S | 30.1 | Very low | 36 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -119.7 | 152.5 | -175.1 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 363 | R | 32 | Very low | 35.9 | Very low | 223 Ų | 223 | 135 Ų | 135 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | | | trans | -177.3 | 146.2 | 141.7 | -112.6 | -170 | 131.1 | 154.5 | 1.8 | 118.5 | | |
| 364 | D | 27.6 | Very low | 35.3 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 57% | 0.572 | 79% | 0.789 | S | S | * | * | | | trans | 36.6 | 115.4 | 137.2 | -85.9 | -56.6 | 0 | 0 | 0 | 124.6 | | |
| 365 | S | 29.9 | Very low | 35.1 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | | 66.7 | 103.8 | 110.9 | -55.6 | 0 | 0 | 0 | 0 | 123.7 | | |
| 366 | A | 29.6 | Very low | 35.1 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | | 75.3 | 122.2 | 129.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 367 | R | 30.5 | Very low | 35.7 | Very low | 228 Ų | 228 | 132.6 Ų | 132.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -157.7 | 121.4 | 137.4 | -149.9 | 150.5 | -66.3 | -137.2 | 1.5 | 116.7 | | |
| 368 | R | 28.3 | Very low | 35.6 | Very low | 236 Ų | 236 | 133.7 Ų | 133.7 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | | | trans | 22.5 | 138.1 | 147.3 | -54.2 | -178 | -174.4 | -140.7 | -1.4 | 122.7 | | |
| 369 | A | 31.9 | Very low | 34.3 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | -76 | -176.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 370 | P | 50.8 | Low | 32.9 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | | -141.5 | -166.6 | 58.6 | 38.2 | -15.6 | 0 | 0 | 0 | 112.3 | | |
| 371 | R | 33.1 | Very low | 32.6 | Very low | 239 Ų | 239 | 138 Ų | 138 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | cis | -133.4 | -174.5 | 6.5 | -54.4 | 173.7 | 167.5 | -155.9 | -8.4 | 107 | | |
| 372 | K | 30.2 | Very low | 32.5 | Very low | 210 Ų | 210 | 137.4 Ų | 137.4 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | | | cis | -160.5 | 151 | 6.3 | 179.9 | -167.9 | 179.9 | -168.1 | 0 | 104.6 | | |
| 373 | G | 28.9 | Very low | 32.5 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | cis | 157.2 | 141.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 374 | G | 27.7 | Very low | 32.4 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -79.8 | -162.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 375 | P | 45.8 | Very low | 32.6 | Very low | 131 Ų | 131 | 135 Ų | 135 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | cis | -124.3 | -169.5 | 10.2 | 40.4 | -24 | 0 | 0 | 0 | 114.3 | | |
| 376 | G | 28.2 | Very low | 32.6 | Very low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | | | trans | -83.2 | -160.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 377 | P | 48.5 | Very low | 32.7 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | cis | -135.6 | 179.4 | 13.1 | 43.7 | -27.6 | 0 | 0 | 0 | 116.3 | | |
| 378 | A | 25.8 | Very low | 32.6 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | 66.1 | 151.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 379 | S | 25.3 | Very low | 32.6 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | 87.6 | 143.9 | 156.8 | -148.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 380 | A | 25.9 | Very low | 32.5 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | trans | 57.4 | 122.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 381 | R | 29.5 | Very low | 31.5 | Very low | 240 Ų | 240 | 132.5 Ų | 132.5 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -69.3 | 166.7 | 144.7 | -77.8 | -179.3 | 169.5 | -163.8 | -3 | 109.9 | | |
| 382 | P | 42.8 | Very low | 31.3 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | cis | -124.1 | -160.5 | 18.3 | 31.1 | -5.9 | 0 | 0 | 0 | 111.7 | | |
| 383 | S | 30.4 | Very low | 31.3 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | | | cis | -151.1 | 166.1 | 14 | -44 | 0 | 0 | 0 | 0 | 114.6 | | |
| 384 | E | 29 | Very low | 31.5 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | 13.4 | 146.4 | 131.6 | -62.6 | 165.4 | 124.8 | 0 | 0 | 120.6 | | |
| 385 | S | 31.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | cis | -151.6 | 154.7 | 6.5 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 386 | K | 31.1 | Very low | 31.1 | Very low | 209 Ų | 209 | 137 Ų | 137 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | | | | -173.2 | 139.5 | 113 | -170.2 | 154.6 | -173.8 | 168.8 | 0 | 111 | | |
| 387 | E | 30.5 | Very low | 31.1 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | | | trans | -106.3 | 145.4 | -174.1 | -173.4 | -174.6 | 122.1 | 0 | 0 | 112.3 | T389 | E387-T389 PolarHBondContact OE1-OG1 3.49Š|
| 388 | M | 28.9 | Very low | 30.3 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | | | trans | -151 | 121.5 | 137.2 | -172 | 52.8 | 61.5 | 0 | 0 | 109.7 | | |
| 389 | T | 29.6 | Very low | 30.5 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | | | trans | -76.8 | 147.9 | -170.2 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | E387 | E387-T389 PolarHBondContact OE1-OG1 3.49Š|
| 390 | G | 29.3 | Very low | 31.1 | Very low | 61 Ų | 61 | 143.2 Ų | 143.2 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | | | cis | 166.4 | -166.1 | -5.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 391 | A | 29.5 | Very low | 31.4 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | 63.1 | 118.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 392 | R | 29 | Very low | 31.9 | Very low | 217 Ų | 217 | 143.5 Ų | 143.5 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | | | trans | -160 | 136.8 | 179.6 | 179.1 | -173.9 | -178.1 | -139.9 | -1.6 | 111.3 | | |
| 393 | L | 30.8 | Very low | 32.9 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 59% | 0.592 | 78% | 0.776 | S | S | * | * | | | trans | 62.1 | 165.3 | 165.3 | -92.3 | 44.6 | 0 | 0 | 0 | 116.3 | | |
| 394 | W | 32.6 | Very low | 33.8 | Very low | 229 Ų | 229 | 143.8 Ų | 143.8 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | cis | -175.1 | 155.8 | -37.9 | -109.3 | 27.3 | 0 | 0 | 0 | 108.3 | | |
| 395 | A | 33.9 | Very low | 34.1 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | trans | 56.2 | 135 | 143.3 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 396 | Q | 30.7 | Very low | 34.2 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | | 112.2 | 122.9 | 126.7 | -102.9 | -172.8 | 158.8 | 0 | 0 | 122.3 | | |
| 397 | D | 29.1 | Very low | 34.6 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | | | trans | 77.2 | 139.4 | 132.9 | -142.9 | -114 | 0 | 0 | 0 | 122.7 | | |
| 398 | G | 30.3 | Very low | 34.8 | Very low | 64 Ų | 64 | 138.2 Ų | 138.2 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | | | trans | 131.9 | 118.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 399 | S | 30.1 | Very low | 35 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | 82.6 | 152.5 | 149.7 | -148.9 | 0 | 0 | 0 | 0 | 122 | | |
| 400 | E | 38.5 | Very low | 35.2 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -113.6 | 154.4 | -176.5 | -56.7 | 153.1 | 112.8 | 0 | 0 | 111.5 | | |
| 401 | D | 32.9 | Very low | 35.6 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | | | trans | -176.7 | -178.3 | 131.2 | -145.9 | -88.6 | 0 | 0 | 0 | 110.5 | | |
| 402 | E | 38.3 | Very low | 36.7 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -114.8 | -149.6 | -156.6 | -139.3 | -127 | 142.3 | 0 | 0 | 117.1 | | |
| 403 | P | 64.7 | Low | 36.9 | Very low | 89 Ų | 89 | 139.6 Ų | 139.6 | 58% | 0.578 | 77% | 0.77 | S | S | * | * | | | trans | -108.9 | -174.2 | -134.2 | 46.3 | -32.9 | 0 | 0 | 0 | 114.9 | | |
| 404 | P | 49.1 | Very low | 37 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | | -153.1 | 147.6 | 96.3 | 38.6 | -20.1 | 0 | 0 | 0 | 119 | | |
| 405 | K | 36.6 | Very low | 36.9 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 73% | 0.726 | 77% | 0.774 | S | S | * | * | | | trans | 19.4 | 138.1 | 137.3 | -86 | -179.3 | 149.2 | -69.1 | 0 | 125.1 | | |
| 406 | D | 32 | Very low | 36.9 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 65% | 0.652 | 78% | 0.779 | S | S | * | * | | | | 78.9 | 139.3 | 130 | -60.9 | -12 | 0 | 0 | 0 | 124.5 | | |
| 407 | S | 39.3 | Very low | 37 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | | | trans | 75.1 | 112.4 | 146.2 | -76.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 408 | D | 34.7 | Very low | 37 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | | 51.6 | 144.8 | 112.6 | -47 | -53.4 | 0 | 0 | 0 | 121.8 | | |
| 409 | G | 34.1 | Very low | 36.9 | Very low | 68 Ų | 68 | 131.4 Ų | 131.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | 150.6 | 54 | 152.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 410 | E | 33.7 | Very low | 36.9 | Very low | 206 Ų | 206 | 136.9 Ų | 136.9 | 96% | 0.963 | 79% | 0.786 | S | S | * | * | | | trans | 59.9 | 178.3 | 143.1 | -58.8 | -174.2 | 105.1 | 0 | 0 | 121.8 | | |
| 411 | D | 37.6 | Very low | 36.2 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | -114.2 | 161.1 | -170.5 | 176 | -90.5 | 0 | 0 | 0 | 111.2 | | |
| 412 | P | 52.2 | Low | 36.9 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -136.6 | 146.7 | 150.1 | 36.4 | -22.5 | 0 | 0 | 0 | 117.1 | | |
| 413 | E | 33.6 | Very low | 36.6 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -84.7 | 178.5 | -175.1 | -158.2 | -162.9 | 103.1 | 0 | 0 | 114.8 | | |
| 414 | T | 33 | Very low | 35.7 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | trans | 96.9 | 92.3 | 156.1 | 67.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 415 | A | 31.6 | Very low | 34.7 | Very low | 101 Ų | 101 | 128 Ų | 128 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | | 35.3 | 141.6 | 123.2 | 0 | 0 | 0 | 0 | 0 | 124.8 | | |
| 416 | A | 32.7 | Very low | 34.4 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | | | | 145.8 | 128.5 | 107.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 417 | V | 32 | Very low | 34.3 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 92% | 0.915 | 80% | 0.804 | S | S | * | * | | | trans | 74.1 | 130.6 | 140.4 | 174.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 418 | G | 29.2 | Very low | 34.9 | Very low | 73 Ų | 73 | 129.2 Ų | 129.2 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | | | trans | 171.7 | 120.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 419 | C | 30.1 | Very low | 34.8 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | -95.4 | -173.9 | -172.1 | -53.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 420 | R | 28.3 | Very low | 34.5 | Very low | 242 Ų | 242 | 126.8 Ų | 126.8 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | | | cis | -174.6 | 124.8 | 26.6 | -165.4 | -177.6 | -159.3 | -113.4 | 6.5 | 116.4 | | |
| 421 | G | 23.9 | Very low | 34.4 | Very low | 76 Ų | 76 | 121 Ų | 121 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | 58.4 | 176.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 422 | P | 47.7 | Very low | 34.1 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | cis | -128.9 | -165.3 | -2.3 | 43.7 | -26.5 | 0 | 0 | 0 | 116.2 | | |
| 423 | T | 32.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 116.9 Ų | 116.9 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | | | trans | -105.1 | -174.4 | -167.3 | 26 | 0 | 0 | 0 | 0 | 114 | | |
| 424 | P | 46.4 | Very low | 33 | Very low | 131 Ų | 131 | 112.8 Ų | 112.8 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | cis | -143.5 | 167.2 | 19.8 | 43.6 | -23.5 | 0 | 0 | 0 | 121.4 | | |
| 425 | G | 27 | Very low | 32.8 | Very low | 71 Ų | 71 | 116.7 Ų | 116.7 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | | | trans | 129.3 | 148.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 426 | Q | 29.7 | Very low | 32.7 | Very low | 197 Ų | 197 | 115.1 Ų | 115.1 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | | | cis | -157 | 171.6 | -20.3 | -171.1 | 157.4 | -28.3 | 0 | 0 | 109.5 | | |
| 427 | A | 30.5 | Very low | 33.2 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 69% | 0.686 | 82% | 0.82 | S | S | * | * | | | trans | -150.6 | -177.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 428 | P | 52.5 | Low | 32.9 | Very low | 129 Ų | 129 | 117.5 Ų | 117.5 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | | | cis | -128.2 | -162.6 | 6 | 46.6 | -29.6 | 0 | 0 | 0 | 112.4 | | |
| 429 | A | 31.9 | Very low | 33.1 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | | | cis | -151.6 | 167.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 430 | G | 29.3 | Very low | 33.6 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | | | cis | 163 | 141 | -4.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 431 | G | 30.4 | Very low | 33.9 | Very low | 85 Ų | 85 | 120.7 Ų | 120.7 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | | | trans | 74.3 | 137.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 432 | A | 31.8 | Very low | 34 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | cis | -132.8 | 171.5 | -7.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 433 | G | 27.1 | Very low | 33.2 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | | | cis | 91.3 | 131 | 33.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 434 | A | 34.5 | Very low | 33.2 | Very low | 82 Ų | 82 | 119.9 Ų | 119.9 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | | | cis | -161.6 | 164.9 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 435 | E | 28.6 | Very low | 32.7 | Very low | 196 Ų | 196 | 121.2 Ų | 121.2 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | trans | 60.4 | 172.7 | 152.4 | -77.4 | 174.8 | 93.3 | 0 | 0 | 118.2 | | |
| 436 | G | 29.6 | Very low | 33.2 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | | | cis | 169.8 | 152.3 | -6.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 437 | K | 43.3 | Very low | 33.7 | Very low | 220 Ų | 220 | 121.8 Ų | 121.8 | 96% | 0.957 | 81% | 0.812 | S | S | * | * | | | trans | -96.5 | 118.2 | -174.3 | -61.2 | 170.5 | -174 | -72.4 | 0 | 110 | | |
| 438 | G | 27.6 | Very low | 33.6 | Very low | 76 Ų | 76 | 121.2 Ų | 121.2 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | | | trans | -148.2 | 110.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 439 | L | 32.6 | Very low | 32.7 | Very low | 173 Ų | 173 | 125 Ų | 125 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | | | trans | -8.9 | 143.5 | 165.2 | -57.3 | 169.5 | 0 | 0 | 0 | 121.1 | | |
| 440 | F | 39.4 | Very low | 33.5 | Very low | 205 Ų | 205 | 125.5 Ų | 125.5 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | | | trans | -68.6 | 160.1 | 168.4 | -58.1 | -90.2 | 0 | 0 | 0 | 113.2 | | |
| 441 | P | 34.6 | Very low | 33.7 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | | | | -147.8 | 158.7 | 112.3 | 38.5 | -24.6 | 0 | 0 | 0 | 116.5 | | |
| 442 | G | 27 | Very low | 34.3 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | | | trans | 104.1 | 114 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 443 | S | 30.7 | Very low | 34.6 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | 36.5 | 128.6 | 147.3 | -56.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 444 | T | 33.6 | Very low | 34.8 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | cis | -144.8 | 156.9 | 39.5 | 50.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 445 | L | 34.1 | Very low | 35.2 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -29.9 | 163.8 | 161.3 | -61.8 | 176.9 | 0 | 0 | 0 | 117.9 | | |
| 446 | P | 39.5 | Very low | 35.8 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | | | cis | -142.8 | -178 | -27.6 | 39.1 | -20.8 | 0 | 0 | 0 | 115.4 | | |
| 447 | L | 38.2 | Very low | 36 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | | | trans | 62.2 | 121.4 | 156.1 | -69.9 | 161.8 | 0 | 0 | 0 | 119.9 | | |
| 448 | G | 29.1 | Very low | 35.6 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | 150.9 | 96.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 449 | F | 33.8 | Very low | 36 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | | | trans | -148 | 156.8 | 163.2 | -87.5 | -69.8 | 0 | 0 | 0 | 109.4 | | |
| 450 | P | 48.3 | Very low | 36.1 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | | | cis | -120.9 | 173.6 | -27.8 | 39.2 | -27.2 | 0 | 0 | 0 | 111.5 | | |
| 451 | Y | 34.2 | Very low | 35.8 | Very low | 221 Ų | 221 | 134.4 Ų | 134.4 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -139.4 | 146.6 | 150.5 | -145.4 | -95.5 | 0 | 0 | 0 | 111.5 | | |
| 452 | A | 42.4 | Very low | 36.4 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 150.7 | -166 | 0 | 0 | 0 | 0 | 0 | 113.4 | S454 | A452-S454 PolarHBondContact O-N 3.41Š|
| 453 | V | 38.6 | Very low | 36.6 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 116.5 | 164.4 | 175.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 454 | S | 31.2 | Very low | 37.1 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 117.3 | 173 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | A452 Y456 | A452-S454 PolarHBondContact O-N 3.41Å; S454-Y456 VanDerWaalsContact C-N 3.29Å; S454-Y456 PolarHBondContact O-N 2.67Å |
| 455 | P | 43.8 | Very low | 37.4 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | | | trans | -88.4 | 51.6 | -165.6 | 36.8 | -38.5 | 0 | 0 | 0 | 113.1 | | |
| 456 | Y | 40.7 | Very low | 37.7 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | | | trans | -134 | 131.3 | -180 | -82 | -85.3 | 0 | 0 | 0 | 113.3 | S454 | S454-Y456 VanDerWaalsContact C-N 3.29Å; S454-Y456 PolarHBondContact O-N 2.67Å |
| 457 | F | 32.3 | Very low | 37.8 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | | | trans | 72 | 80.8 | 175 | -49.8 | -68.8 | 0 | 0 | 0 | 117.5 | | |
| 458 | H | 35.8 | Very low | 37.6 | Very low | 204 Ų | 204 | 135.8 Ų | 135.8 | 94% | 0.944 | 81% | 0.811 | S | S | * | * | | | trans | -104.6 | 120.6 | 143.9 | -73.9 | -58.5 | 0 | 0 | 0 | 109.3 | | |
| 459 | T | 35.8 | Very low | 38.4 | Very low | 137 Ų | 137 | 136 Ų | 136 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | | | trans | -129.7 | 118.8 | 173.5 | -54.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 460 | G | 35.6 | Very low | 38.9 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | 112.8 | 82.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 461 | A | 33.3 | Very low | 38.4 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -146.1 | 140.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 462 | V | 47.2 | Very low | 38.6 | Very low | 157 Ų | 157 | 129.6 Ų | 129.6 | 95% | 0.952 | 80% | 0.798 | S | S | * | * | | | trans | -91.8 | 141.7 | -179.1 | -68.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 463 | G | 31.5 | Very low | 38.3 | Very low | 79 Ų | 79 | 130 Ų | 130 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | | | trans | 158.1 | 87.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 464 | G | 39.9 | Very low | 38.7 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | trans | -84.5 | 134.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 465 | L | 40.2 | Very low | 40 | Very low | 177 Ų | 177 | 127.1 Ų | 127.1 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | | | trans | -126.4 | 155.9 | 143.9 | -71.9 | 178.7 | 0 | 0 | 0 | 107.6 | M467 | L465-M467 PolarHBondContact O-N 3.19Š|
| 466 | S | 39.5 | Very low | 41 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 123.8 | -169.3 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 467 | M | 42.8 | Very low | 43 | Very low | 182 Ų | 182 | 122.5 Ų | 122.5 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -85 | 123 | 135.9 | -71.9 | -81.6 | 74.5 | 0 | 0 | 107.1 | L465 | L465-M467 PolarHBondContact O-N 3.19Š|
| 468 | D | 34 | Very low | 45.7 | Very low | 148 Ų | 148 | 114 Ų | 114 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -67 | 160 | 171.4 | -171.5 | -146.2 | 0 | 0 | 0 | 110.2 | E470 | D468-E470 PolarHBondContact O-N 2.92Š|
| 469 | G | 46.3 | Very low | 48.3 | Very low | 75 Ų | 75 | 107.7 Ų | 107.7 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | | | trans | -75.6 | 49.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E471 | G469-E471 PolarHBondContact O-N 3.13Š|
| 470 | E | 43.1 | Very low | 51 | Low | 159 Ų | 159 | 108.5 Ų | 108.5 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | | | trans | -73.8 | 108.4 | 169.5 | -149.9 | -135.2 | 125.8 | 0 | 0 | 109.2 | D468 A472 | D468-E470 PolarHBondContact O-N 2.92Å; E470-A472 PolarHBondContact O-N 3.02Å |
| 471 | E | 37.8 | Very low | 53.8 | Low | 163 Ų | 163 | 105.9 Ų | 105.9 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | | | trans | -65.5 | 96.8 | 174.8 | -179.8 | 167.6 | 91 | 0 | 0 | 109.1 | G469 P473 | G469-E471 PolarHBondContact O-N 3.13Å; E471-P473 WeakPolarHBondContact O-CA 3.1Å |
| 472 | A | 38.9 | Very low | 56.8 | Low | 84 Ų | 84 | 104.4 Ų | 104.4 | 69% | 0.694 | 64% | 0.636 | S | S | * | * | | | trans | -46.1 | 116.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | E470 A474 | E470-A472 PolarHBondContact O-N 3.02Å; A472-A474 PolarHBondContact O-N 3.06Å; A472-A474 VanDerWaalsContact O-N 3.15Å |
| 473 | P | 36.4 | Very low | 59.2 | Low | 91 Ų | 91 | 98.8 Ų | 98.8 | 59% | 0.591 | 60% | 0.602 | S | S | * | * | | | trans | -55.4 | 121.9 | -151.2 | 13 | -29.4 | 0 | 0 | 0 | 111.2 | E471 | E471-P473 WeakPolarHBondContact O-CA 3.1Š|
| 474 | A | 47.3 | Very low | 62.3 | Low | 70 Ų | 70 | 99.2 Ų | 99.2 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | | | trans | -45.3 | 125.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 109 | A472 E476 | A472-A474 PolarHBondContact O-N 3.06Å; A472-A474 VanDerWaalsContact O-N 3.15Å; A474-E476 PolarHBondContact O-N 3.26Å |
| 475 | P | 56.6 | Low | 65 | Low | 107 Ų | 107 | 99.1 Ų | 99.1 | 70% | 0.695 | 57% | 0.568 | S | S | * | * | | | trans | -54 | 105.5 | -151.3 | 20.1 | -34.1 | 0 | 0 | 0 | 110.2 | D477 | P475-D477 PolarHBondContact O-N 3.08Å; P475-D477 VanDerWaalsContact O-N 3.08Å |
| 476 | E | 65.1 | Low | 67.7 | Low | 100 Ų | 100 | 90.7 Ų | 90.7 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | | | trans | -47.7 | 119.4 | -167 | -67.1 | 176.1 | 165.7 | 0 | 0 | 110.1 | A474 V478 W481 | A474-E476 PolarHBondContact O-N 3.26Å; E476-V478 PolarHBondContact O-N 2.84Å; E476-W481 PolarHBondContact OE2-NE1 2.88Å |
| 477 | D | 83.5 | Confident | 70.4 | Confident | 91 Ų | 91 | 86 Ų | 86 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | | | trans | -56.7 | 104.5 | -179.7 | -68.2 | -63 | 0 | 0 | 0 | 107.9 | P475 T479 K480 | P475-D477 PolarHBondContact O-N 3.08Å; P475-D477 VanDerWaalsContact O-N 3.08Å; D477-T479 PolarHBondContact O-N 2.81Å; D477-K480 HydrophobicContact CB-CD 3.89Å; D477-K480 HydrophobicContact CB-CG 4.01Å; D477-K480 WeakPolarHBondContact O-CB 3.36Å; D477-K480 PolarHBondContact O-N 3.08Å; D477-K480 VanDerWaalsContact OD2-CE 3.32Å; D477-K480 WeakPolarHBondContact OD2-CE 3.28Å; D477-K480 IonicContact OD2-NZ 2.83Å; D477-K480 PolarHBondContact OD2-NZ 3.4Å |
| 478 | V | 88.5 | Confident | 72.9 | Confident | 4 Ų | 4 | 81.5 Ų | 81.5 | 2% | 0.024 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -55.2 | -29.5 | -172.4 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | E476 K480 W481 G510 L513 P514 R542 L543 | E476-V478 PolarHBondContact O-N 2.84Å; V478-K480 PolarHBondContact O-N 3.2Å; V478-W481 HydrophobicContact CG1-CD2 4.3Å; V478-W481 HydrophobicContact CG1-CE3 3.84Å; V478-W481 HydrophobicContact CG1-CZ3 4.18Å; V478-W481 WeakPolarHBondContact O-CB 3.34Å; V478-W481 PolarHBondContact O-N 3.36Å; V478-W481 VanDerWaalsContact O-N 3.16Å; V478-G510 CarbonylContact C-O 3.56Å; V478-G510 CarbonylContact O-C 3.58Å; V478-G510 WeakPolarHBondContact O-CA 3.24Å; V478-L513 HydrophobicContact CG1-CD2 4.11Å; V478-P514 HydrophobicContact CG1-CG 4.24Å; V478-R542 HydrophobicContact CG2-CB 3.7Å; V478-L543 HydrophobicContact CB-CD2 3.84Å; V478-L543 HydrophobicContact CB-CG 4.48Å; V478-L543 HydrophobicContact CG1-CD2 4.46Å; V478-L543 HydrophobicContact CG2-CD2 4.07Å; V478-L543 HydrophobicContact CG2-CG 4.31Å |
| 479 | T | 89.8 | Confident | 75.8 | Confident | 72 Ų | 72 | 75.6 Ų | 75.6 | 44% | 0.442 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -61.6 | -15.9 | 174.3 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | D477 G510 E511 | D477-T479 PolarHBondContact O-N 2.81Å; T479-G510 WeakPolarHBondContact CA-O 3.38Å; T479-E511 WeakPolarHBondContact O-CG 3.4Å |
| 480 | K | 92.7 | Very high | 78.2 | Confident | 154 Ų | 154 | 72 Ų | 72 | 67% | 0.67 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -92.3 | -9.4 | 177.3 | -63 | 176.7 | -176.4 | 157.6 | 0 | 113.4 | D477 V478 | D477-K480 HydrophobicContact CB-CD 3.89Å; D477-K480 HydrophobicContact CB-CG 4.01Å; D477-K480 WeakPolarHBondContact O-CB 3.36Å; D477-K480 PolarHBondContact O-N 3.08Å; D477-K480 VanDerWaalsContact OD2-CE 3.32Å; D477-K480 WeakPolarHBondContact OD2-CE 3.28Å; D477-K480 IonicContact OD2-NZ 2.83Å; D477-K480 PolarHBondContact OD2-NZ 3.4Å; V478-K480 PolarHBondContact O-N 3.2Å |
| 481 | W | 95.4 | Very high | 80.7 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 10% | 0.095 | 39% | 0.392 | C | S | . | . | | | trans | -67.8 | 136.1 | -177.9 | -73.2 | -7.8 | 0 | 0 | 0 | 111.9 | E476 V478 D485 V486 F489 G510 L513 | E476-W481 PolarHBondContact OE2-NE1 2.88Å; V478-W481 HydrophobicContact CG1-CD2 4.3Å; V478-W481 HydrophobicContact CG1-CE3 3.84Å; V478-W481 HydrophobicContact CG1-CZ3 4.18Å; V478-W481 WeakPolarHBondContact O-CB 3.34Å; V478-W481 PolarHBondContact O-N 3.36Å; V478-W481 VanDerWaalsContact O-N 3.16Å; W481-D485 HydrophobicContact CB-CB 3.91Å; W481-D485 HydrophobicContact CG-CB 4.08Å; W481-V486 HydrophobicContact CB-CG2 4.18Å; W481-V486 HydrophobicContact CE3-CG2 4.25Å; W481-F489 HydrophobicContact CH2-CB 3.95Å; W481-F489 HydrophobicContact CH2-CD1 4.16Å; W481-F489 AromaticContact CH2-CD2 3.73Å; W481-F489 HydrophobicContact CH2-CD2 3.73Å; W481-F489 HydrophobicContact CH2-CE2 4.24Å; W481-F489 AromaticContact CH2-CG 3.67Å; W481-F489 HydrophobicContact CH2-CG 3.67Å; W481-F489 HydrophobicContact CZ3-CB 3.84Å; W481-F489 AromaticContact CZ3-CD1 3.63Å; W481-F489 HydrophobicContact CZ3-CD1 3.63Å; W481-F489 HydrophobicContact CZ3-CD2 4.08Å; W481-F489 HydrophobicContact CZ3-CE1 4.17Å; W481-F489 AromaticContact CZ3-CG 3.57Å; W481-F489 HydrophobicContact CZ3-CG 3.57Å; W481-G510 WeakPolarHBondContact O-CA 3.49Å; W481-G510 PolarHBondContact O-N 3.02Å; W481-L513 HydrophobicContact CE3-CD2 3.89Å; W481-L513 HydrophobicContact CZ3-CD2 3.87Å |
| 482 | T | 96.3 | Very high | 83.4 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 45% | 0.454 | 39% | 0.39 | S | S | . | . | | | trans | -79.5 | 169.8 | 170.2 | 70.3 | 0 | 0 | 0 | 0 | 111.2 | D484 D485 V486 | T482-D484 PolarHBondContact O-N 2.91Å; T482-D484 PolarHBondContact OG1-N 3.18Å; T482-D485 VanDerWaalsContact CB-OD2 3.3Å; T482-D485 WeakPolarHBondContact CB-OD2 3.32Å; T482-D485 WeakPolarHBondContact CG2-OD2 3.16Å; T482-D485 PolarHBondContact N-OD2 3.2Å; T482-D485 PolarHBondContact O-N 3.34Å; T482-D485 VanDerWaalsContact O-N 3.09Å; T482-D485 VanDerWaalsContact OG1-CG 3.3Å; T482-D485 PolarHBondContact OG1-N 2.8Å; T482-D485 PolarHBondContact OG1-OD2 2.94Å; T482-V486 WeakPolarHBondContact O-CG2 3.3Å; T482-V486 PolarHBondContact O-N 3.15Å |
| 483 | V | 96.9 | Very high | 86 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.4 | -34.3 | 173.4 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | C487 I508 D509 | V483-C487 WeakPolarHBondContact O-CB 3.41Å; V483-C487 PolarHBondContact O-N 2.97Å; V483-C487 PolarHBondContact O-SG 3.09Å; V483-I508 WeakPolarHBondContact CA-O 3.36Å; V483-D509 HydrophobicContact CG2-CB 4.13Å |
| 484 | D | 97.4 | Very high | 88.8 | Confident | 89 Ų | 89 | 58.7 Ų | 58.7 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.5 | -39 | 176.1 | -85.4 | -84.7 | 0 | 0 | 0 | 112.7 | T482 C487 S488 R504 | T482-D484 PolarHBondContact O-N 2.91Å; T482-D484 PolarHBondContact OG1-N 3.18Å; D484-C487 PolarHBondContact O-N 3Å; D484-S488 WeakPolarHBondContact O-CB 3.45Å; D484-S488 PolarHBondContact O-N 2.95Å; D484-R504 IonicContact OD1-CZ 2.68Å; D484-R504 IonicContact OD1-NH1 2.96Å; D484-R504 PolarHBondContact OD1-NH1 2.83Å; D484-R504 IonicContact OD1-NH2 3.94Å; D484-R504 PolarHBondContact OD1-NH2 3.32Å; D484-R504 IonicContact OD2-CZ 2.73Å; D484-R504 IonicContact OD2-NH1 3.17Å; D484-R504 PolarHBondContact OD2-NH1 2.74Å |
| 485 | D | 96.1 | Very high | 90.8 | Very high | 71 Ų | 71 | 57.9 Ų | 57.9 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 175.4 | -55.1 | -54.3 | 0 | 0 | 0 | 111.3 | W481 T482 C487 S488 F489 | W481-D485 HydrophobicContact CB-CB 3.91Å; W481-D485 HydrophobicContact CG-CB 4.08Å; T482-D485 VanDerWaalsContact CB-OD2 3.3Å; T482-D485 WeakPolarHBondContact CB-OD2 3.32Å; T482-D485 WeakPolarHBondContact CG2-OD2 3.16Å; T482-D485 PolarHBondContact N-OD2 3.2Å; T482-D485 PolarHBondContact O-N 3.34Å; T482-D485 VanDerWaalsContact O-N 3.09Å; T482-D485 VanDerWaalsContact OG1-CG 3.3Å; T482-D485 PolarHBondContact OG1-N 2.8Å; T482-D485 PolarHBondContact OG1-OD2 2.94Å; D485-C487 VanDerWaalsContact C-N 3.34Å; D485-C487 PolarHBondContact O-N 2.86Å; D485-S488 WeakPolarHBondContact O-CB 3.38Å; D485-S488 PolarHBondContact O-N 2.63Å; D485-F489 WeakPolarHBondContact O-CB 3.33Å; D485-F489 PolarHBondContact O-N 3.19Å |
| 486 | V | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 172.7 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | W481 T482 F489 V490 F503 I508 L513 | W481-V486 HydrophobicContact CB-CG2 4.18Å; W481-V486 HydrophobicContact CE3-CG2 4.25Å; T482-V486 WeakPolarHBondContact O-CG2 3.3Å; T482-V486 PolarHBondContact O-N 3.15Å; V486-F489 PolarHBondContact O-N 3.36Å; V486-V490 HydrophobicContact CG1-CG2 4.46Å; V486-V490 WeakPolarHBondContact O-CB 3.46Å; V486-V490 WeakPolarHBondContact O-CG2 3.44Å; V486-V490 PolarHBondContact O-N 3.45Å; V486-F503 HydrophobicContact CG1-CD1 3.74Å; V486-F503 HydrophobicContact CG1-CE1 4.45Å; V486-I508 WeakPolarHBondContact CB-O 3.38Å; V486-I508 HydrophobicContact CG1-CB 4.42Å; V486-I508 HydrophobicContact CG1-CG2 4.05Å; V486-L513 HydrophobicContact CG1-CD1 4.27Å; V486-L513 HydrophobicContact CG1-CD2 4.12Å; V486-L513 HydrophobicContact CG2-CB 4.46Å; V486-L513 HydrophobicContact CG2-CD2 3.99Å |
| 487 | C | 96.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 5% | 0.054 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 175.3 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | V483 D484 D485 G491 T500 | V483-C487 WeakPolarHBondContact O-CB 3.41Å; V483-C487 PolarHBondContact O-N 2.97Å; V483-C487 PolarHBondContact O-SG 3.09Å; D484-C487 PolarHBondContact O-N 3Å; D485-C487 VanDerWaalsContact C-N 3.34Å; D485-C487 PolarHBondContact O-N 2.86Å; C487-G491 PolarHBondContact O-N 2.86Å; C487-T500 WeakPolarHBondContact O-CG2 3.3Å; C487-T500 PolarHBondContact SG-O 3.27Å |
| 488 | S | 96.2 | Very high | 94.3 | Very high | 89 Ų | 89 | 50.8 Ų | 50.8 | 62% | 0.622 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62 | -47.6 | 174.8 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | D484 D485 G491 G492 | D484-S488 WeakPolarHBondContact O-CB 3.45Å; D484-S488 PolarHBondContact O-N 2.95Å; D485-S488 WeakPolarHBondContact O-CB 3.38Å; D485-S488 PolarHBondContact O-N 2.63Å; S488-G491 PolarHBondContact O-N 3.34Å; S488-G492 PolarHBondContact O-N 2.8Å |
| 489 | F | 95.2 | Very high | 94.6 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 10% | 0.101 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.8 | -50.2 | 175.6 | 164.9 | -110.9 | 0 | 0 | 0 | 112.6 | W481 D485 V486 G491 G492 L493 L513 Q538 V539 | W481-F489 HydrophobicContact CH2-CB 3.95Å; W481-F489 HydrophobicContact CH2-CD1 4.16Å; W481-F489 AromaticContact CH2-CD2 3.73Å; W481-F489 HydrophobicContact CH2-CD2 3.73Å; W481-F489 HydrophobicContact CH2-CE2 4.24Å; W481-F489 AromaticContact CH2-CG 3.67Å; W481-F489 HydrophobicContact CH2-CG 3.67Å; W481-F489 HydrophobicContact CZ3-CB 3.84Å; W481-F489 AromaticContact CZ3-CD1 3.63Å; W481-F489 HydrophobicContact CZ3-CD1 3.63Å; W481-F489 HydrophobicContact CZ3-CD2 4.08Å; W481-F489 HydrophobicContact CZ3-CE1 4.17Å; W481-F489 AromaticContact CZ3-CG 3.57Å; W481-F489 HydrophobicContact CZ3-CG 3.57Å; D485-F489 WeakPolarHBondContact O-CB 3.33Å; D485-F489 PolarHBondContact O-N 3.19Å; V486-F489 PolarHBondContact O-N 3.36Å; F489-G491 VanDerWaalsContact C-N 3.29Å; F489-G491 PolarHBondContact O-N 3.12Å; F489-G492 PolarHBondContact O-N 3.28Å; F489-L493 HydrophobicContact CE1-CD1 4.32Å; F489-L493 HydrophobicContact CE2-CD1 4.35Å; F489-L493 HydrophobicContact CZ-CD1 4.04Å; F489-L493 PolarHBondContact O-N 3.17Å; F489-L513 HydrophobicContact CD1-CD2 4.21Å; F489-L513 HydrophobicContact CE1-CD2 4.22Å; F489-Q538 HydrophobicContact CE2-CB 4.11Å; F489-Q538 HydrophobicContact CZ-CB 3.72Å; F489-V539 HydrophobicContact CE1-CG2 3.73Å; F489-V539 HydrophobicContact CZ-CG2 4.07Å |
| 490 | V | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.1 | -34 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | V486 L493 C496 T500 F503 I535 | V486-V490 HydrophobicContact CG1-CG2 4.46Å; V486-V490 WeakPolarHBondContact O-CB 3.46Å; V486-V490 WeakPolarHBondContact O-CG2 3.44Å; V486-V490 PolarHBondContact O-N 3.45Å; V490-L493 PolarHBondContact O-N 2.97Å; V490-C496 HydrophobicContact CG1-CB 4.19Å; V490-C496 WeakPolarHBondContact O-CB 3.39Å; V490-T500 HydrophobicContact CB-CG2 4.19Å; V490-T500 HydrophobicContact CG1-CG2 3.98Å; V490-F503 HydrophobicContact CG1-CD2 4.31Å; V490-F503 HydrophobicContact CG1-CE2 4.41Å; V490-F503 HydrophobicContact CG2-CD1 4.08Å; V490-F503 HydrophobicContact CG2-CD2 4.48Å; V490-F503 HydrophobicContact CG2-CE1 4.07Å; V490-F503 HydrophobicContact CG2-CE2 4.47Å; V490-F503 HydrophobicContact CG2-CG 4.29Å; V490-F503 HydrophobicContact CG2-CZ 4.27Å; V490-I535 HydrophobicContact CG1-CD1 4.08Å; V490-I535 HydrophobicContact CG2-CD1 4.35Å |
| 491 | G | 95.8 | Very high | 95 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C487 S488 F489 L493 T500 | C487-G491 PolarHBondContact O-N 2.86Å; S488-G491 PolarHBondContact O-N 3.34Å; F489-G491 VanDerWaalsContact C-N 3.29Å; F489-G491 PolarHBondContact O-N 3.12Å; G491-L493 PolarHBondContact O-N 3.01Å; G491-T500 VanDerWaalsContact CA-CG2 3.41Å; G491-T500 VanDerWaalsContact N-CG2 3.3Å |
| 492 | G | 94.4 | Very high | 95 | Very high | 70 Ų | 70 | 50.9 Ų | 50.9 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -10.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S488 F489 | S488-G492 PolarHBondContact O-N 2.8Å; F489-G492 PolarHBondContact O-N 3.28Å |
| 493 | L | 94.9 | Very high | 95 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -86.4 | 125.4 | 176.9 | -65.5 | -179.5 | 0 | 0 | 0 | 111.5 | F489 V490 G491 G495 C496 K534 I535 Q538 | F489-L493 HydrophobicContact CE1-CD1 4.32Å; F489-L493 HydrophobicContact CE2-CD1 4.35Å; F489-L493 HydrophobicContact CZ-CD1 4.04Å; F489-L493 PolarHBondContact O-N 3.17Å; V490-L493 PolarHBondContact O-N 2.97Å; G491-L493 PolarHBondContact O-N 3.01Å; L493-G495 PolarHBondContact O-N 3.03Å; L493-C496 HydrophobicContact CB-CB 3.79Å; L493-C496 WeakPolarHBondContact O-CB 3.37Å; L493-C496 PolarHBondContact O-N 2.86Å; L493-K534 HydrophobicContact CB-CD 4.47Å; L493-I535 HydrophobicContact CD1-CG1 3.91Å; L493-Q538 HydrophobicContact CD1-CB 4.36Å; L493-Q538 HydrophobicContact CD1-CG 4.33Å; L493-Q538 HydrophobicContact CD2-CB 4.41Å; L493-Q538 HydrophobicContact CD2-CG 3.84Å |
| 494 | S | 93.4 | Very high | 95 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 60% | 0.601 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 123.8 | -177.8 | 56 | 0 | 0 | 0 | 0 | 112.3 | C496 K534 | S494-C496 VanDerWaalsContact C-N 3.26Å; S494-C496 PolarHBondContact O-N 3.49Å; S494-K534 PolarHBondContact O-NZ 2.04Å; S494-K534 PolarHBondContact OG-NZ 3.39Å |
| 495 | G | 90.2 | Very high | 95 | Very high | 54 Ų | 54 | 52.9 Ų | 52.9 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 26.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | L493 | L493-G495 PolarHBondContact O-N 3.03Š|
| 496 | C | 93.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | -11.4 | 171.5 | -58.2 | 0 | 0 | 0 | 0 | 113.4 | V490 L493 S494 E498 Y499 | V490-C496 HydrophobicContact CG1-CB 4.19Å; V490-C496 WeakPolarHBondContact O-CB 3.39Å; L493-C496 HydrophobicContact CB-CB 3.79Å; L493-C496 WeakPolarHBondContact O-CB 3.37Å; L493-C496 PolarHBondContact O-N 2.86Å; S494-C496 VanDerWaalsContact C-N 3.26Å; S494-C496 PolarHBondContact O-N 3.49Å; C496-E498 PolarHBondContact O-N 3.22Å; C496-E498 VanDerWaalsContact O-N 3.14Å; C496-Y499 WeakPolarHBondContact O-CB 3.47Å; C496-Y499 PolarHBondContact O-N 3.22Å |
| 497 | G | 92.3 | Very high | 94.8 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -52.9 | -34.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y499 T500 | G497-Y499 PolarHBondContact O-N 3.17Å; G497-Y499 VanDerWaalsContact O-N 3.16Å; G497-T500 WeakPolarHBondContact O-CB 2.94Å; G497-T500 WeakPolarHBondContact O-CG2 3.31Å; G497-T500 PolarHBondContact O-N 3.47Å; G497-T500 PolarHBondContact O-OG1 3.34Å |
| 498 | E | 93.5 | Very high | 94.8 | Very high | 114 Ų | 114 | 56.2 Ų | 56.2 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -58 | -25.1 | 175.3 | 67.8 | -158.7 | -119.1 | 0 | 0 | 113.8 | C496 K528 | C496-E498 PolarHBondContact O-N 3.22Å; C496-E498 VanDerWaalsContact O-N 3.14Å; E498-K528 IonicContact OE1-NZ 3.93Å; E498-K528 PolarHBondContact OE1-NZ 3.41Å |
| 499 | Y | 94.3 | Very high | 94.8 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -94.3 | -9.4 | -178.5 | -57 | -69.6 | 0 | 0 | 0 | 114.2 | C496 G497 R501 V502 F503 L527 K528 P531 | C496-Y499 WeakPolarHBondContact O-CB 3.47Å; C496-Y499 PolarHBondContact O-N 3.22Å; G497-Y499 PolarHBondContact O-N 3.17Å; G497-Y499 VanDerWaalsContact O-N 3.16Å; Y499-R501 PolarHBondContact O-N 3.38Å; Y499-V502 WeakPolarHBondContact O-CA 3.28Å; Y499-V502 WeakPolarHBondContact O-CB 3.41Å; Y499-V502 PolarHBondContact O-N 3.2Å; Y499-F503 WeakPolarHBondContact O-CD2 3Å; Y499-F503 PolarHBondContact O-N 3.26Å; Y499-F503 VanDerWaalsContact O-N 3.13Å; Y499-L527 HydrophobicContact CD1-CD1 3.54Å; Y499-L527 HydrophobicContact CD1-CG 3.56Å; Y499-L527 HydrophobicContact CD2-CD2 4.37Å; Y499-L527 HydrophobicContact CD2-CG 4.03Å; Y499-L527 HydrophobicContact CE1-CB 4.33Å; Y499-L527 HydrophobicContact CE1-CD1 4.1Å; Y499-L527 HydrophobicContact CE1-CG 3.8Å; Y499-L527 HydrophobicContact CE2-CG 4.26Å; Y499-L527 HydrophobicContact CG-CD1 3.87Å; Y499-L527 HydrophobicContact CG-CD2 4.23Å; Y499-L527 HydrophobicContact CG-CG 3.67Å; Y499-K528 VanDerWaalsContact OH-CD 3.25Å; Y499-K528 WeakPolarHBondContact OH-CD 3.44Å; Y499-K528 WeakPolarHBondContact OH-CE 3.34Å; Y499-K528 WeakPolarHBondContact OH-CG 3.42Å; Y499-K528 PolarHBondContact OH-N 3.02Å; Y499-K528 PolarHBondContact OH-NZ 3.33Å; Y499-P531 HydrophobicContact CD2-CB 3.99Å; Y499-P531 HydrophobicContact CD2-CG 4.44Å; Y499-P531 HydrophobicContact CE2-CB 3.55Å; Y499-P531 HydrophobicContact CE2-CG 3.58Å |
| 500 | T | 95.8 | Very high | 94.8 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.4 | -39.7 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | C487 V490 G491 G497 V502 F503 R504 | C487-T500 WeakPolarHBondContact O-CG2 3.3Å; C487-T500 PolarHBondContact SG-O 3.27Å; V490-T500 HydrophobicContact CB-CG2 4.19Å; V490-T500 HydrophobicContact CG1-CG2 3.98Å; G491-T500 VanDerWaalsContact CA-CG2 3.41Å; G491-T500 VanDerWaalsContact N-CG2 3.3Å; G497-T500 WeakPolarHBondContact O-CB 2.94Å; G497-T500 WeakPolarHBondContact O-CG2 3.31Å; G497-T500 PolarHBondContact O-N 3.47Å; G497-T500 PolarHBondContact O-OG1 3.34Å; T500-V502 VanDerWaalsContact C-N 3.31Å; T500-V502 PolarHBondContact O-N 3.24Å; T500-F503 PolarHBondContact O-N 3.08Å; T500-R504 PolarHBondContact O-N 3.39Å |
| 501 | R | 95.8 | Very high | 94.6 | Very high | 172 Ų | 172 | 59.6 Ų | 59.6 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.4 | -41.3 | 173.5 | 178.4 | 177 | 168.5 | -178.2 | -5.1 | 112.3 | Y499 R504 E505 | Y499-R501 PolarHBondContact O-N 3.38Å; R501-R504 WeakPolarHBondContact O-CB 3.32Å; R501-R504 PolarHBondContact O-N 2.9Å; R501-E505 HydrophobicContact CG-CG 4.31Å; R501-E505 IonicContact CZ-OE1 3.18Å; R501-E505 IonicContact NE-OE1 2.74Å; R501-E505 PolarHBondContact NE-OE1 2.9Å; R501-E505 IonicContact NE-OE2 3.67Å; R501-E505 IonicContact NH2-OE1 2.73Å; R501-E505 PolarHBondContact NH2-OE1 2.91Å; R501-E505 WeakPolarHBondContact O-CB 3.03Å; R501-E505 WeakPolarHBondContact O-CG 3.32Å; R501-E505 PolarHBondContact O-N 3.26Å |
| 502 | V | 95.6 | Very high | 94.5 | Very high | 32 Ų | 32 | 60.1 Ų | 60.1 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.3 | -40.7 | -179.8 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | Y499 T500 R504 E505 Q506 M525 | Y499-V502 WeakPolarHBondContact O-CA 3.28Å; Y499-V502 WeakPolarHBondContact O-CB 3.41Å; Y499-V502 PolarHBondContact O-N 3.2Å; T500-V502 VanDerWaalsContact C-N 3.31Å; T500-V502 PolarHBondContact O-N 3.24Å; V502-R504 VanDerWaalsContact C-N 3.29Å; V502-R504 PolarHBondContact O-N 2.85Å; V502-E505 PolarHBondContact O-N 3.42Å; V502-Q506 HydrophobicContact CG1-CG 4.31Å; V502-Q506 WeakPolarHBondContact O-CB 3.18Å; V502-Q506 VanDerWaalsContact O-CG 3.32Å; V502-Q506 WeakPolarHBondContact O-CG 3.44Å; V502-Q506 PolarHBondContact O-N 3.42Å; V502-M525 HydrophobicContact CG1-CB 3.81Å; V502-M525 HydrophobicContact CG1-CG 3.84Å |
| 503 | F | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 173.7 | -82 | -107.7 | 0 | 0 | 0 | 111.7 | V486 V490 Y499 T500 G507 I508 L513 L516 L521 M525 L527 I535 | V486-F503 HydrophobicContact CG1-CD1 3.74Å; V486-F503 HydrophobicContact CG1-CE1 4.45Å; V490-F503 HydrophobicContact CG1-CD2 4.31Å; V490-F503 HydrophobicContact CG1-CE2 4.41Å; V490-F503 HydrophobicContact CG2-CD1 4.08Å; V490-F503 HydrophobicContact CG2-CD2 4.48Å; V490-F503 HydrophobicContact CG2-CE1 4.07Å; V490-F503 HydrophobicContact CG2-CE2 4.47Å; V490-F503 HydrophobicContact CG2-CG 4.29Å; V490-F503 HydrophobicContact CG2-CZ 4.27Å; Y499-F503 WeakPolarHBondContact O-CD2 3Å; Y499-F503 PolarHBondContact O-N 3.26Å; Y499-F503 VanDerWaalsContact O-N 3.13Å; T500-F503 PolarHBondContact O-N 3.08Å; F503-G507 PolarHBondContact O-N 3.34Å; F503-G507 VanDerWaalsContact O-N 3.17Å; F503-I508 HydrophobicContact CB-CB 4.43Å; F503-I508 HydrophobicContact CB-CG1 4.44Å; F503-I508 HydrophobicContact CD1-CB 3.8Å; F503-I508 HydrophobicContact CD1-CG1 3.9Å; F503-I508 HydrophobicContact CD1-CG2 3.81Å; F503-I508 HydrophobicContact CE1-CG2 4.18Å; F503-I508 HydrophobicContact CG-CB 4.49Å; F503-I508 HydrophobicContact CG-CG1 4.36Å; F503-I508 PolarHBondContact O-N 3.45Å; F503-L513 HydrophobicContact CE1-CD1 3.93Å; F503-L516 HydrophobicContact CE1-CD1 3.86Å; F503-L516 HydrophobicContact CZ-CD1 4.42Å; F503-L521 HydrophobicContact CE1-CD2 4.5Å; F503-L521 HydrophobicContact CE2-CD2 4.34Å; F503-L521 HydrophobicContact CZ-CD2 3.66Å; F503-M525 HydrophobicContact CD2-SD 4.37Å; F503-M525 HydrophobicContact CE2-SD 4.05Å; F503-M525 HydrophobicContact CZ-SD 4.14Å; F503-L527 HydrophobicContact CE2-CD1 4.33Å; F503-L527 HydrophobicContact CE2-CD2 4.19Å; F503-I535 HydrophobicContact CE2-CD1 3.95Å; F503-I535 HydrophobicContact CZ-CD1 3.84Å; F503-I535 HydrophobicContact CZ-CG2 4.26Å |
| 504 | R | 96.5 | Very high | 94.4 | Very high | 124 Ų | 124 | 58 Ų | 58 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 173.1 | -168.9 | 175.6 | -67.1 | -87.4 | 5 | 113 | D484 T500 R501 V502 Q506 G507 | D484-R504 IonicContact OD1-CZ 2.68Å; D484-R504 IonicContact OD1-NH1 2.96Å; D484-R504 PolarHBondContact OD1-NH1 2.83Å; D484-R504 IonicContact OD1-NH2 3.94Å; D484-R504 PolarHBondContact OD1-NH2 3.32Å; D484-R504 IonicContact OD2-CZ 2.73Å; D484-R504 IonicContact OD2-NH1 3.17Å; D484-R504 PolarHBondContact OD2-NH1 2.74Å; T500-R504 PolarHBondContact O-N 3.39Å; R501-R504 WeakPolarHBondContact O-CB 3.32Å; R501-R504 PolarHBondContact O-N 2.9Å; V502-R504 VanDerWaalsContact C-N 3.29Å; V502-R504 PolarHBondContact O-N 2.85Å; R504-Q506 VanDerWaalsContact C-N 3.34Å; R504-Q506 PolarHBondContact O-N 3.35Å; R504-G507 PolarHBondContact O-N 2.99Å; R504-G507 VanDerWaalsContact O-N 3.13Å |
| 505 | E | 95.9 | Very high | 94.4 | Very high | 118 Ų | 118 | 60.1 Ų | 60.1 | 55% | 0.551 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68 | -31.2 | -179.7 | -76.1 | 174.7 | 159.7 | 0 | 0 | 112.8 | R501 V502 G507 | R501-E505 HydrophobicContact CG-CG 4.31Å; R501-E505 IonicContact CZ-OE1 3.18Å; R501-E505 IonicContact NE-OE1 2.74Å; R501-E505 PolarHBondContact NE-OE1 2.9Å; R501-E505 IonicContact NE-OE2 3.67Å; R501-E505 IonicContact NH2-OE1 2.73Å; R501-E505 PolarHBondContact NH2-OE1 2.91Å; R501-E505 WeakPolarHBondContact O-CB 3.03Å; R501-E505 WeakPolarHBondContact O-CG 3.32Å; R501-E505 PolarHBondContact O-N 3.26Å; V502-E505 PolarHBondContact O-N 3.42Å; E505-G507 VanDerWaalsContact C-N 3.34Å |
| 506 | Q | 95.1 | Very high | 94.5 | Very high | 103 Ų | 103 | 58.4 Ų | 58.4 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.2 | 172.3 | -62.8 | -66.4 | -20.1 | 0 | 0 | 113.3 | V502 R504 I508 M525 | V502-Q506 HydrophobicContact CG1-CG 4.31Å; V502-Q506 WeakPolarHBondContact O-CB 3.18Å; V502-Q506 VanDerWaalsContact O-CG 3.32Å; V502-Q506 WeakPolarHBondContact O-CG 3.44Å; V502-Q506 PolarHBondContact O-N 3.42Å; R504-Q506 VanDerWaalsContact C-N 3.34Å; R504-Q506 PolarHBondContact O-N 3.35Å; Q506-I508 VanDerWaalsContact C-N 3.35Å; Q506-I508 HydrophobicContact CB-CD1 3.79Å; Q506-I508 HydrophobicContact CB-CG1 3.93Å; Q506-I508 PolarHBondContact O-N 2.89Å; Q506-M525 HydrophobicContact CG-CG 4.07Å |
| 507 | G | 94.8 | Very high | 94.6 | Very high | 37 Ų | 37 | 62 Ų | 62 | 38% | 0.381 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 31.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F503 R504 E505 D509 | F503-G507 PolarHBondContact O-N 3.34Å; F503-G507 VanDerWaalsContact O-N 3.17Å; R504-G507 PolarHBondContact O-N 2.99Å; R504-G507 VanDerWaalsContact O-N 3.13Å; E505-G507 VanDerWaalsContact C-N 3.34Å; G507-D509 PolarHBondContact O-N 3.39Å |
| 508 | I | 96.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 63.8 Ų | 63.8 | 5% | 0.051 | 32% | 0.318 | C | S | . | . | | | trans | -68.8 | 115.2 | -176.3 | -53.3 | -53.5 | 0 | 0 | 0 | 110.5 | V483 V486 F503 Q506 L513 L516 | V483-I508 WeakPolarHBondContact CA-O 3.36Å; V486-I508 WeakPolarHBondContact CB-O 3.38Å; V486-I508 HydrophobicContact CG1-CB 4.42Å; V486-I508 HydrophobicContact CG1-CG2 4.05Å; F503-I508 HydrophobicContact CB-CB 4.43Å; F503-I508 HydrophobicContact CB-CG1 4.44Å; F503-I508 HydrophobicContact CD1-CB 3.8Å; F503-I508 HydrophobicContact CD1-CG1 3.9Å; F503-I508 HydrophobicContact CD1-CG2 3.81Å; F503-I508 HydrophobicContact CE1-CG2 4.18Å; F503-I508 HydrophobicContact CG-CB 4.49Å; F503-I508 HydrophobicContact CG-CG1 4.36Å; F503-I508 PolarHBondContact O-N 3.45Å; Q506-I508 VanDerWaalsContact C-N 3.35Å; Q506-I508 HydrophobicContact CB-CD1 3.79Å; Q506-I508 HydrophobicContact CB-CG1 3.93Å; Q506-I508 PolarHBondContact O-N 2.89Å; I508-L513 HydrophobicContact CG2-CB 4.04Å; I508-L513 HydrophobicContact CG2-CD1 4.4Å; I508-L516 HydrophobicContact CD1-CD2 4.06Å; I508-L516 HydrophobicContact CG2-CD1 3.87Å |
| 509 | D | 96.2 | Very high | 94.6 | Very high | 52 Ų | 52 | 65 Ų | 65 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | | | trans | -103.8 | -176.6 | 176 | 65.6 | 11.6 | 0 | 0 | 0 | 112.3 | V483 G507 E511 T512 L513 | V483-D509 HydrophobicContact CG2-CB 4.13Å; G507-D509 PolarHBondContact O-N 3.39Å; D509-E511 VanDerWaalsContact C-N 3.32Å; D509-E511 PolarHBondContact O-N 3.03Å; D509-E511 PolarHBondContact OD1-N 3.2Å; D509-T512 PolarHBondContact N-OG1 2.88Å; D509-T512 PolarHBondContact O-N 3.44Å; D509-T512 PolarHBondContact O-OG1 3.46Å; D509-T512 VanDerWaalsContact OD1-CB 3.32Å; D509-T512 WeakPolarHBondContact OD1-CB 3.24Å; D509-T512 WeakPolarHBondContact OD1-CG2 3.42Å; D509-T512 PolarHBondContact OD1-N 2.84Å; D509-T512 PolarHBondContact OD1-OG1 3.33Å; D509-L513 WeakPolarHBondContact O-CB 3.32Å; D509-L513 PolarHBondContact O-N 2.9Å |
| 510 | G | 94 | Very high | 94.7 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -26.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | V478 T479 W481 P514 | V478-G510 CarbonylContact C-O 3.56Å; V478-G510 CarbonylContact O-C 3.58Å; V478-G510 WeakPolarHBondContact O-CA 3.24Å; T479-G510 WeakPolarHBondContact CA-O 3.38Å; W481-G510 WeakPolarHBondContact O-CA 3.49Å; W481-G510 PolarHBondContact O-N 3.02Å; G510-P514 WeakPolarHBondContact O-CD 3.49Å; G510-P514 WeakPolarHBondContact O-CG 3.48Å |
| 511 | E | 92.8 | Very high | 94.7 | Very high | 131 Ų | 131 | 64.9 Ų | 64.9 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -35.2 | 178.4 | -61.3 | -161.9 | 157.9 | 0 | 0 | 111.6 | T479 D509 | T479-E511 WeakPolarHBondContact O-CG 3.4Å; D509-E511 VanDerWaalsContact C-N 3.32Å; D509-E511 PolarHBondContact O-N 3.03Å; D509-E511 PolarHBondContact OD1-N 3.2Å |
| 512 | T | 93.6 | Very high | 94.7 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 31% | 0.307 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -34.1 | 178.6 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | D509 L515 L516 | D509-T512 PolarHBondContact N-OG1 2.88Å; D509-T512 PolarHBondContact O-N 3.44Å; D509-T512 PolarHBondContact O-OG1 3.46Å; D509-T512 VanDerWaalsContact OD1-CB 3.32Å; D509-T512 WeakPolarHBondContact OD1-CB 3.24Å; D509-T512 WeakPolarHBondContact OD1-CG2 3.42Å; D509-T512 PolarHBondContact OD1-N 2.84Å; D509-T512 PolarHBondContact OD1-OG1 3.33Å; T512-L515 WeakPolarHBondContact O-CA 3.35Å; T512-L515 WeakPolarHBondContact O-CB 3.4Å; T512-L515 PolarHBondContact O-N 2.95Å; T512-L516 WeakPolarHBondContact O-CD2 3.44Å; T512-L516 WeakPolarHBondContact O-CG 3.41Å; T512-L516 PolarHBondContact O-N 3.28Å |
| 513 | L | 94.5 | Very high | 94.5 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -51.9 | -40.8 | 179.4 | 176.6 | 67.5 | 0 | 0 | 0 | 114.4 | V478 W481 V486 F489 F503 I508 D509 L515 L516 I535 V539 | V478-L513 HydrophobicContact CG1-CD2 4.11Å; W481-L513 HydrophobicContact CE3-CD2 3.89Å; W481-L513 HydrophobicContact CZ3-CD2 3.87Å; V486-L513 HydrophobicContact CG1-CD1 4.27Å; V486-L513 HydrophobicContact CG1-CD2 4.12Å; V486-L513 HydrophobicContact CG2-CB 4.46Å; V486-L513 HydrophobicContact CG2-CD2 3.99Å; F489-L513 HydrophobicContact CD1-CD2 4.21Å; F489-L513 HydrophobicContact CE1-CD2 4.22Å; F503-L513 HydrophobicContact CE1-CD1 3.93Å; I508-L513 HydrophobicContact CG2-CB 4.04Å; I508-L513 HydrophobicContact CG2-CD1 4.4Å; D509-L513 WeakPolarHBondContact O-CB 3.32Å; D509-L513 PolarHBondContact O-N 2.9Å; L513-L515 VanDerWaalsContact C-N 3.28Å; L513-L515 PolarHBondContact O-N 3.4Å; L513-L516 HydrophobicContact CD1-CD1 3.92Å; L513-I535 HydrophobicContact CD1-CG2 4.31Å; L513-V539 HydrophobicContact CD1-CG2 3.81Å; L513-V539 HydrophobicContact CD2-CG2 3.83Å; L513-V539 HydrophobicContact CG-CG1 4.32Å; L513-V539 HydrophobicContact CG-CG2 3.69Å |
| 514 | P | 92.3 | Very high | 94.3 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -66.2 | -21.3 | 172.2 | -25.9 | 36.8 | 0 | 0 | 0 | 115.6 | V478 G510 L543 | V478-P514 HydrophobicContact CG1-CG 4.24Å; G510-P514 WeakPolarHBondContact O-CD 3.49Å; G510-P514 WeakPolarHBondContact O-CG 3.48Å; P514-L543 HydrophobicContact CB-CD1 3.72Å; P514-L543 HydrophobicContact CG-CD1 3.98Å; P514-L543 HydrophobicContact CG-CD2 4.14Å |
| 515 | L | 92.6 | Very high | 94.2 | Very high | 132 Ų | 132 | 62.3 Ų | 62.3 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -92.7 | -12.6 | -173.7 | -55 | 178.1 | 0 | 0 | 0 | 112.8 | T512 L513 T517 | T512-L515 WeakPolarHBondContact O-CA 3.35Å; T512-L515 WeakPolarHBondContact O-CB 3.4Å; T512-L515 PolarHBondContact O-N 2.95Å; L513-L515 VanDerWaalsContact C-N 3.28Å; L513-L515 PolarHBondContact O-N 3.4Å; L515-T517 PolarHBondContact O-N 3.33Å |
| 516 | L | 93.6 | Very high | 94 | Very high | 18 Ų | 18 | 59.3 Ų | 59.3 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | | | trans | -65.9 | 115.5 | -176.7 | -47.1 | 177.2 | 0 | 0 | 0 | 111.3 | F503 I508 T512 L513 L521 M525 | F503-L516 HydrophobicContact CE1-CD1 3.86Å; F503-L516 HydrophobicContact CZ-CD1 4.42Å; I508-L516 HydrophobicContact CD1-CD2 4.06Å; I508-L516 HydrophobicContact CG2-CD1 3.87Å; T512-L516 WeakPolarHBondContact O-CD2 3.44Å; T512-L516 WeakPolarHBondContact O-CG 3.41Å; T512-L516 PolarHBondContact O-N 3.28Å; L513-L516 HydrophobicContact CD1-CD1 3.92Å; L516-L521 HydrophobicContact CB-CD2 4.47Å; L516-L521 HydrophobicContact CB-CG 4.31Å; L516-L521 HydrophobicContact CD1-CD2 4.14Å; L516-M525 HydrophobicContact CD1-CE 4.12Å; L516-M525 HydrophobicContact CD2-CE 4.2Å |
| 517 | T | 94.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | | | trans | -74.6 | 164.4 | 174.5 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | L515 E519 H520 L521 | L515-T517 PolarHBondContact O-N 3.33Å; T517-E519 VanDerWaalsContact C-N 3.32Å; T517-H520 PolarHBondContact O-N 2.94Å; T517-H520 VanDerWaalsContact OG1-CB 3.3Å; T517-H520 WeakPolarHBondContact OG1-CB 3.38Å; T517-H520 PolarHBondContact OG1-N 3.46Å; T517-L521 PolarHBondContact O-N 2.91Å |
| 518 | E | 93.9 | Very high | 94.1 | Very high | 71 Ų | 71 | 58.9 Ų | 58.9 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 172.6 | -156.2 | 169.7 | 125.8 | 0 | 0 | 111.3 | H520 L521 L522 L529 R536 | E518-H520 VanDerWaalsContact C-N 3.31Å; E518-H520 PolarHBondContact O-N 3.42Å; E518-L521 PolarHBondContact O-N 2.91Å; E518-L522 HydrophobicContact CG-CD1 4.2Å; E518-L522 WeakPolarHBondContact O-CB 3.4Å; E518-L522 VanDerWaalsContact O-CG 3.25Å; E518-L522 WeakPolarHBondContact O-CG 3.36Å; E518-L522 PolarHBondContact O-N 3.04Å; E518-L529 HydrophobicContact CG-CD1 4.37Å; E518-L529 WeakPolarHBondContact OE1-CD1 3.47Å; E518-R536 IonicContact OE2-CZ 3.37Å; E518-R536 IonicContact OE2-NH1 2.68Å; E518-R536 PolarHBondContact OE2-NH1 3.36Å |
| 519 | E | 93.8 | Very high | 94.1 | Very high | 139 Ų | 139 | 62.6 Ų | 62.6 | 65% | 0.65 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.7 | -39.9 | 176.4 | -178.2 | 175.1 | -160.7 | 0 | 0 | 112.3 | T517 L522 T523 | T517-E519 VanDerWaalsContact C-N 3.32Å; E519-L522 PolarHBondContact O-N 3.23Å; E519-T523 WeakPolarHBondContact O-CA 3.38Å; E519-T523 WeakPolarHBondContact O-CB 3.26Å; E519-T523 PolarHBondContact O-N 3.4Å; E519-T523 PolarHBondContact O-OG1 3.35Å; E519-T523 VanDerWaalsContact O-OG1 3.09Å |
| 520 | H | 95.3 | Very high | 94 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -67.8 | -41.5 | 179.5 | -174 | 58.2 | 0 | 0 | 0 | 112.3 | T517 E518 N524 M525 | T517-H520 PolarHBondContact O-N 2.94Å; T517-H520 VanDerWaalsContact OG1-CB 3.3Å; T517-H520 WeakPolarHBondContact OG1-CB 3.38Å; T517-H520 PolarHBondContact OG1-N 3.46Å; E518-H520 VanDerWaalsContact C-N 3.31Å; E518-H520 PolarHBondContact O-N 3.42Å; H520-N524 WeakPolarHBondContact ND1-CB 3.47Å; H520-N524 VanDerWaalsContact ND1-CG 3.29Å; H520-N524 PolarHBondContact ND1-OD1 2.85Å; H520-N524 WeakPolarHBondContact O-CB 3.33Å; H520-N524 PolarHBondContact O-N 2.78Å; H520-M525 WeakPolarHBondContact CD2-CE 3.49Å; H520-M525 WeakPolarHBondContact NE2-CE 3.43Å; H520-M525 PolarHBondContact O-N 3.04Å |
| 521 | L | 95.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -64.3 | -43.3 | 174.7 | -68.6 | 160.9 | 0 | 0 | 0 | 111.8 | F503 L516 T517 E518 M525 G526 L527 A532 R536 | F503-L521 HydrophobicContact CE1-CD2 4.5Å; F503-L521 HydrophobicContact CE2-CD2 4.34Å; F503-L521 HydrophobicContact CZ-CD2 3.66Å; L516-L521 HydrophobicContact CB-CD2 4.47Å; L516-L521 HydrophobicContact CB-CG 4.31Å; L516-L521 HydrophobicContact CD1-CD2 4.14Å; T517-L521 PolarHBondContact O-N 2.91Å; E518-L521 PolarHBondContact O-N 2.91Å; L521-M525 HydrophobicContact CD2-CE 3.74Å; L521-M525 HydrophobicContact CD2-SD 3.96Å; L521-M525 HydrophobicContact CG-CE 4.29Å; L521-M525 CarbonylContact O-C 3.38Å; L521-M525 WeakPolarHBondContact O-CB 3.44Å; L521-G526 PolarHBondContact O-N 3.21Å; L521-L527 HydrophobicContact CD2-CD2 4.13Å; L521-L527 WeakPolarHBondContact O-CB 3.46Å; L521-L527 PolarHBondContact O-N 2.92Å; L521-A532 HydrophobicContact CB-CB 3.81Å; L521-A532 HydrophobicContact CD1-CB 4.17Å; L521-R536 HydrophobicContact CD1-CG 3.56Å |
| 522 | L | 95.6 | Very high | 94.2 | Very high | 61 Ų | 61 | 57 Ų | 57 | 32% | 0.319 | 32% | 0.324 | S | S | . | . | I | π-helix | trans | -69.8 | -50 | 179.3 | -67.7 | 172.9 | 0 | 0 | 0 | 112.4 | E518 E519 G526 L527 L529 A532 | E518-L522 HydrophobicContact CG-CD1 4.2Å; E518-L522 WeakPolarHBondContact O-CB 3.4Å; E518-L522 VanDerWaalsContact O-CG 3.25Å; E518-L522 WeakPolarHBondContact O-CG 3.36Å; E518-L522 PolarHBondContact O-N 3.04Å; E519-L522 PolarHBondContact O-N 3.23Å; L522-G526 VanDerWaalsContact O-CA 3.29Å; L522-G526 WeakPolarHBondContact O-CA 3.49Å; L522-G526 PolarHBondContact O-N 2.91Å; L522-L527 VanDerWaalsContact CD2-O 3.3Å; L522-L527 WeakPolarHBondContact CD2-O 3.41Å; L522-L529 HydrophobicContact CD1-CD1 4.23Å; L522-L529 HydrophobicContact CD2-CB 4.17Å; L522-L529 HydrophobicContact CD2-CD1 4.25Å; L522-A532 HydrophobicContact CD2-CB 4.38Å |
| 523 | T | 92.6 | Very high | 94.3 | Very high | 103 Ų | 103 | 57 Ų | 57 | 63% | 0.632 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -92.9 | -41.2 | -165.7 | -54 | 0 | 0 | 0 | 0 | 113.1 | E519 | E519-T523 WeakPolarHBondContact O-CA 3.38Å; E519-T523 WeakPolarHBondContact O-CB 3.26Å; E519-T523 PolarHBondContact O-N 3.4Å; E519-T523 PolarHBondContact O-OG1 3.35Å; E519-T523 VanDerWaalsContact O-OG1 3.09Å |
| 524 | N | 91.8 | Very high | 94.4 | Very high | 99 Ų | 99 | 60.4 Ų | 60.4 | 53% | 0.529 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -90.3 | -36.1 | -178.5 | -61.8 | 100.6 | 0 | 0 | 0 | 112.7 | H520 | H520-N524 WeakPolarHBondContact ND1-CB 3.47Å; H520-N524 VanDerWaalsContact ND1-CG 3.29Å; H520-N524 PolarHBondContact ND1-OD1 2.85Å; H520-N524 WeakPolarHBondContact O-CB 3.33Å; H520-N524 PolarHBondContact O-N 2.78Å |
| 525 | M | 93.3 | Very high | 94.5 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 5% | 0.054 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -98.7 | -7.4 | 178.9 | -71.3 | 176.7 | -107.9 | 0 | 0 | 114.1 | V502 F503 Q506 L516 H520 L521 L527 | V502-M525 HydrophobicContact CG1-CB 3.81Å; V502-M525 HydrophobicContact CG1-CG 3.84Å; F503-M525 HydrophobicContact CD2-SD 4.37Å; F503-M525 HydrophobicContact CE2-SD 4.05Å; F503-M525 HydrophobicContact CZ-SD 4.14Å; Q506-M525 HydrophobicContact CG-CG 4.07Å; L516-M525 HydrophobicContact CD1-CE 4.12Å; L516-M525 HydrophobicContact CD2-CE 4.2Å; H520-M525 WeakPolarHBondContact CD2-CE 3.49Å; H520-M525 WeakPolarHBondContact NE2-CE 3.43Å; H520-M525 PolarHBondContact O-N 3.04Å; L521-M525 HydrophobicContact CD2-CE 3.74Å; L521-M525 HydrophobicContact CD2-SD 3.96Å; L521-M525 HydrophobicContact CG-CE 4.29Å; L521-M525 CarbonylContact O-C 3.38Å; L521-M525 WeakPolarHBondContact O-CB 3.44Å; M525-L527 VanDerWaalsContact C-N 3.27Å; M525-L527 HydrophobicContact CB-CD1 3.55Å; M525-L527 PolarHBondContact O-N 3.45Å |
| 526 | G | 93.3 | Very high | 94.5 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 56% | 0.557 | 30% | 0.303 | S | S | * | . | | | trans | 67.3 | 22 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L521 L522 | L521-G526 PolarHBondContact O-N 3.21Å; L522-G526 VanDerWaalsContact O-CA 3.29Å; L522-G526 WeakPolarHBondContact O-CA 3.49Å; L522-G526 PolarHBondContact O-N 2.91Å |
| 527 | L | 95.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | | | trans | -68.7 | 147.3 | 177.4 | -87.6 | 69.2 | 0 | 0 | 0 | 111 | Y499 F503 L521 L522 M525 P531 A532 I535 | Y499-L527 HydrophobicContact CD1-CD1 3.54Å; Y499-L527 HydrophobicContact CD1-CG 3.56Å; Y499-L527 HydrophobicContact CD2-CD2 4.37Å; Y499-L527 HydrophobicContact CD2-CG 4.03Å; Y499-L527 HydrophobicContact CE1-CB 4.33Å; Y499-L527 HydrophobicContact CE1-CD1 4.1Å; Y499-L527 HydrophobicContact CE1-CG 3.8Å; Y499-L527 HydrophobicContact CE2-CG 4.26Å; Y499-L527 HydrophobicContact CG-CD1 3.87Å; Y499-L527 HydrophobicContact CG-CD2 4.23Å; Y499-L527 HydrophobicContact CG-CG 3.67Å; F503-L527 HydrophobicContact CE2-CD1 4.33Å; F503-L527 HydrophobicContact CE2-CD2 4.19Å; L521-L527 HydrophobicContact CD2-CD2 4.13Å; L521-L527 WeakPolarHBondContact O-CB 3.46Å; L521-L527 PolarHBondContact O-N 2.92Å; L522-L527 VanDerWaalsContact CD2-O 3.3Å; L522-L527 WeakPolarHBondContact CD2-O 3.41Å; M525-L527 VanDerWaalsContact C-N 3.27Å; M525-L527 HydrophobicContact CB-CD1 3.55Å; M525-L527 PolarHBondContact O-N 3.45Å; L527-P531 HydrophobicContact CD2-CB 4.27Å; L527-A532 HydrophobicContact CB-CB 4.15Å; L527-A532 HydrophobicContact CD2-CB 4.37Å; L527-I535 HydrophobicContact CD2-CD1 3.63Å |
| 528 | K | 96.2 | Very high | 94.4 | Very high | 125 Ų | 125 | 55.2 Ų | 55.2 | 54% | 0.543 | 30% | 0.303 | S | S | . | . | | | trans | -70.5 | 150.9 | 164.2 | -60.5 | 156.7 | -162.8 | 147.5 | 0 | 108.7 | E498 Y499 G530 P531 A532 | E498-K528 IonicContact OE1-NZ 3.93Å; E498-K528 PolarHBondContact OE1-NZ 3.41Å; Y499-K528 VanDerWaalsContact OH-CD 3.25Å; Y499-K528 WeakPolarHBondContact OH-CD 3.44Å; Y499-K528 WeakPolarHBondContact OH-CE 3.34Å; Y499-K528 WeakPolarHBondContact OH-CG 3.42Å; Y499-K528 PolarHBondContact OH-N 3.02Å; Y499-K528 PolarHBondContact OH-NZ 3.33Å; K528-G530 VanDerWaalsContact C-N 3.3Å; K528-G530 PolarHBondContact O-N 3.35Å; K528-P531 HydrophobicContact CB-CG 4.19Å; K528-P531 VanDerWaalsContact O-CD 3.27Å; K528-P531 WeakPolarHBondContact O-CD 3.48Å; K528-A532 PolarHBondContact O-N 2.76Å |
| 529 | L | 94.8 | Very high | 94.3 | Very high | 87 Ų | 87 | 52.3 Ų | 52.3 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.7 | -39.4 | -177.2 | -176.7 | 63.4 | 0 | 0 | 0 | 113.7 | E518 L522 A532 L533 | E518-L529 HydrophobicContact CG-CD1 4.37Å; E518-L529 WeakPolarHBondContact OE1-CD1 3.47Å; L522-L529 HydrophobicContact CD1-CD1 4.23Å; L522-L529 HydrophobicContact CD2-CB 4.17Å; L522-L529 HydrophobicContact CD2-CD1 4.25Å; L529-A532 PolarHBondContact O-N 2.99Å; L529-L533 HydrophobicContact CD1-CD1 3.87Å; L529-L533 HydrophobicContact CD1-CD2 4.47Å; L529-L533 HydrophobicContact CD1-CG 3.91Å; L529-L533 HydrophobicContact CD2-CD1 4.43Å; L529-L533 HydrophobicContact CG-CD1 3.77Å; L529-L533 HydrophobicContact CG-CG 4.23Å; L529-L533 WeakPolarHBondContact O-CB 3.49Å; L529-L533 VanDerWaalsContact O-CG 3.28Å; L529-L533 WeakPolarHBondContact O-CG 3.38Å; L529-L533 PolarHBondContact O-N 3.36Å |
| 530 | G | 95.3 | Very high | 94.1 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.6 | -58.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K528 A532 L533 K534 | K528-G530 VanDerWaalsContact C-N 3.3Å; K528-G530 PolarHBondContact O-N 3.35Å; G530-A532 PolarHBondContact O-N 3.22Å; G530-L533 PolarHBondContact O-N 2.9Å; G530-K534 WeakPolarHBondContact O-CB 3.34Å; G530-K534 PolarHBondContact O-N 2.88Å |
| 531 | P | 95.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 13% | 0.13 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.8 | -47.2 | 170.2 | -30.7 | 35.1 | 0 | 0 | 0 | 114.3 | Y499 L527 K528 L533 K534 I535 | Y499-P531 HydrophobicContact CD2-CB 3.99Å; Y499-P531 HydrophobicContact CD2-CG 4.44Å; Y499-P531 HydrophobicContact CE2-CB 3.55Å; Y499-P531 HydrophobicContact CE2-CG 3.58Å; L527-P531 HydrophobicContact CD2-CB 4.27Å; K528-P531 HydrophobicContact CB-CG 4.19Å; K528-P531 VanDerWaalsContact O-CD 3.27Å; K528-P531 WeakPolarHBondContact O-CD 3.48Å; P531-L533 PolarHBondContact O-N 3.31Å; P531-K534 PolarHBondContact O-N 3.39Å; P531-I535 WeakPolarHBondContact O-CG1 3.39Å; P531-I535 PolarHBondContact O-N 3.23Å |
| 532 | A | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L521 L522 L527 K528 L529 G530 R536 | L521-A532 HydrophobicContact CB-CB 3.81Å; L521-A532 HydrophobicContact CD1-CB 4.17Å; L522-A532 HydrophobicContact CD2-CB 4.38Å; L527-A532 HydrophobicContact CB-CB 4.15Å; L527-A532 HydrophobicContact CD2-CB 4.37Å; K528-A532 PolarHBondContact O-N 2.76Å; L529-A532 PolarHBondContact O-N 2.99Å; G530-A532 PolarHBondContact O-N 3.22Å; A532-R536 WeakPolarHBondContact O-CG 3.36Å; A532-R536 PolarHBondContact O-N 3.32Å; A532-R536 VanDerWaalsContact O-N 3.09Å |
| 533 | L | 95.3 | Very high | 92.9 | Very high | 51 Ų | 51 | 57.2 Ų | 57.2 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 174.8 | -69.3 | 173.7 | 0 | 0 | 0 | 112.1 | L529 G530 P531 R536 A537 Y548 | L529-L533 HydrophobicContact CD1-CD1 3.87Å; L529-L533 HydrophobicContact CD1-CD2 4.47Å; L529-L533 HydrophobicContact CD1-CG 3.91Å; L529-L533 HydrophobicContact CD2-CD1 4.43Å; L529-L533 HydrophobicContact CG-CD1 3.77Å; L529-L533 HydrophobicContact CG-CG 4.23Å; L529-L533 WeakPolarHBondContact O-CB 3.49Å; L529-L533 VanDerWaalsContact O-CG 3.28Å; L529-L533 WeakPolarHBondContact O-CG 3.38Å; L529-L533 PolarHBondContact O-N 3.36Å; G530-L533 PolarHBondContact O-N 2.9Å; P531-L533 PolarHBondContact O-N 3.31Å; L533-R536 PolarHBondContact O-N 3.2Å; L533-A537 VanDerWaalsContact O-CB 3.24Å; L533-A537 WeakPolarHBondContact O-CB 3.47Å; L533-A537 PolarHBondContact O-N 3.01Å; L533-Y548 VanDerWaalsContact CD2-OH 3.3Å; L533-Y548 WeakPolarHBondContact CD2-OH 3.44Å |
| 534 | K | 95.1 | Very high | 91.9 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 33% | 0.326 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 178 | -173.2 | 180 | -65.1 | -176.3 | 0 | 111.6 | L493 S494 G530 P531 Q538 | L493-K534 HydrophobicContact CB-CD 4.47Å; S494-K534 PolarHBondContact O-NZ 2.04Å; S494-K534 PolarHBondContact OG-NZ 3.39Å; G530-K534 WeakPolarHBondContact O-CB 3.34Å; G530-K534 PolarHBondContact O-N 2.88Å; P531-K534 PolarHBondContact O-N 3.39Å; K534-Q538 VanDerWaalsContact O-CG 3.28Å; K534-Q538 WeakPolarHBondContact O-CG 3.38Å; K534-Q538 PolarHBondContact O-N 3.27Å; K534-Q538 VanDerWaalsContact O-N 3.12Å |
| 535 | I | 94.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -52.6 | 176.8 | -66.4 | 165.7 | 0 | 0 | 0 | 109.7 | V490 L493 F503 L513 L527 P531 A537 Q538 V539 | V490-I535 HydrophobicContact CG1-CD1 4.08Å; V490-I535 HydrophobicContact CG2-CD1 4.35Å; L493-I535 HydrophobicContact CD1-CG1 3.91Å; F503-I535 HydrophobicContact CE2-CD1 3.95Å; F503-I535 HydrophobicContact CZ-CD1 3.84Å; F503-I535 HydrophobicContact CZ-CG2 4.26Å; L513-I535 HydrophobicContact CD1-CG2 4.31Å; L527-I535 HydrophobicContact CD2-CD1 3.63Å; P531-I535 WeakPolarHBondContact O-CG1 3.39Å; P531-I535 PolarHBondContact O-N 3.23Å; I535-A537 VanDerWaalsContact C-N 3.32Å; I535-A537 PolarHBondContact O-N 3.12Å; I535-Q538 PolarHBondContact O-N 2.78Å; I535-Q538 VanDerWaalsContact O-N 3.11Å; I535-V539 HydrophobicContact CG2-CG2 4.24Å; I535-V539 WeakPolarHBondContact O-CG2 3.43Å; I535-V539 PolarHBondContact O-N 3.11Å |
| 536 | R | 93.1 | Very high | 88.1 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 25% | 0.249 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.3 | -40.5 | 179.4 | -75.6 | 179.2 | 63.7 | -132.2 | 10.2 | 113.3 | E518 L521 A532 L533 A540 Y548 | E518-R536 IonicContact OE2-CZ 3.37Å; E518-R536 IonicContact OE2-NH1 2.68Å; E518-R536 PolarHBondContact OE2-NH1 3.36Å; L521-R536 HydrophobicContact CD1-CG 3.56Å; A532-R536 WeakPolarHBondContact O-CG 3.36Å; A532-R536 PolarHBondContact O-N 3.32Å; A532-R536 VanDerWaalsContact O-N 3.09Å; L533-R536 PolarHBondContact O-N 3.2Å; R536-A540 VanDerWaalsContact O-CB 3.28Å; R536-A540 WeakPolarHBondContact O-CB 3.47Å; R536-A540 PolarHBondContact O-N 3Å; R536-Y548 HydrophobicContact CB-CE2 4.2Å; R536-Y548 PolarHBondContact NH1-OH 2.72Å |
| 537 | A | 92.6 | Very high | 85.9 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L533 I535 R541 | L533-A537 VanDerWaalsContact O-CB 3.24Å; L533-A537 WeakPolarHBondContact O-CB 3.47Å; L533-A537 PolarHBondContact O-N 3.01Å; I535-A537 VanDerWaalsContact C-N 3.32Å; I535-A537 PolarHBondContact O-N 3.12Å; A537-R541 WeakPolarHBondContact O-CG 3.41Å; A537-R541 PolarHBondContact O-N 3.44Å |
| 538 | Q | 92.5 | Very high | 83.7 | Confident | 56 Ų | 56 | 74 Ų | 74 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -74 | -35.8 | 179.7 | -65.2 | -69.5 | 4.5 | 0 | 0 | 112.6 | F489 L493 K534 I535 R541 R542 | F489-Q538 HydrophobicContact CE2-CB 4.11Å; F489-Q538 HydrophobicContact CZ-CB 3.72Å; L493-Q538 HydrophobicContact CD1-CB 4.36Å; L493-Q538 HydrophobicContact CD1-CG 4.33Å; L493-Q538 HydrophobicContact CD2-CB 4.41Å; L493-Q538 HydrophobicContact CD2-CG 3.84Å; K534-Q538 VanDerWaalsContact O-CG 3.28Å; K534-Q538 WeakPolarHBondContact O-CG 3.38Å; K534-Q538 PolarHBondContact O-N 3.27Å; K534-Q538 VanDerWaalsContact O-N 3.12Å; I535-Q538 PolarHBondContact O-N 2.78Å; I535-Q538 VanDerWaalsContact O-N 3.11Å; Q538-R541 PolarHBondContact O-N 3Å; Q538-R542 PolarHBondContact O-N 3.13Å; Q538-R542 VanDerWaalsContact O-N 3.08Å |
| 539 | V | 92.8 | Very high | 81.2 | Confident | 9 Ų | 9 | 74.5 Ų | 74.5 | 6% | 0.055 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -47 | 170.8 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | F489 L513 I535 R541 R542 L543 | F489-V539 HydrophobicContact CE1-CG2 3.73Å; F489-V539 HydrophobicContact CZ-CG2 4.07Å; L513-V539 HydrophobicContact CD1-CG2 3.81Å; L513-V539 HydrophobicContact CD2-CG2 3.83Å; L513-V539 HydrophobicContact CG-CG1 4.32Å; L513-V539 HydrophobicContact CG-CG2 3.69Å; I535-V539 HydrophobicContact CG2-CG2 4.24Å; I535-V539 WeakPolarHBondContact O-CG2 3.43Å; I535-V539 PolarHBondContact O-N 3.11Å; V539-R541 VanDerWaalsContact C-N 3.32Å; V539-R541 PolarHBondContact O-N 2.82Å; V539-R542 PolarHBondContact O-N 3Å; V539-L543 HydrophobicContact CG1-CD1 3.62Å; V539-L543 HydrophobicContact CG1-CG 4.33Å; V539-L543 WeakPolarHBondContact O-CB 3.48Å; V539-L543 VanDerWaalsContact O-CG 3.31Å; V539-L543 WeakPolarHBondContact O-CG 3.45Å; V539-L543 PolarHBondContact O-N 2.85Å |
| 540 | A | 89.4 | Confident | 78.9 | Confident | 18 Ų | 18 | 74 Ų | 74 | 15% | 0.149 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R536 G544 R545 Y548 | R536-A540 VanDerWaalsContact O-CB 3.28Å; R536-A540 WeakPolarHBondContact O-CB 3.47Å; R536-A540 PolarHBondContact O-N 3Å; A540-G544 PolarHBondContact O-N 3.25Å; A540-R545 PolarHBondContact O-N 3.41Å; A540-Y548 HydrophobicContact CB-CD2 4.09Å |
| 541 | R | 88.4 | Confident | 76.4 | Confident | 181 Ų | 181 | 77.1 Ų | 77.1 | 68% | 0.683 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.4 | -46 | 173.4 | -76.3 | 178.8 | 74.3 | -120.4 | -2 | 112.4 | A537 Q538 V539 G544 | A537-R541 WeakPolarHBondContact O-CG 3.41Å; A537-R541 PolarHBondContact O-N 3.44Å; Q538-R541 PolarHBondContact O-N 3Å; V539-R541 VanDerWaalsContact C-N 3.32Å; V539-R541 PolarHBondContact O-N 2.82Å; R541-G544 PolarHBondContact O-N 2.86Å |
| 542 | R | 87.7 | Confident | 73.3 | Confident | 109 Ų | 109 | 85 Ų | 85 | 41% | 0.411 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 179.7 | -74.9 | -178.1 | 172 | -94.2 | 6.5 | 112.7 | V478 Q538 V539 G544 | V478-R542 HydrophobicContact CG2-CB 3.7Å; Q538-R542 PolarHBondContact O-N 3.13Å; Q538-R542 VanDerWaalsContact O-N 3.08Å; V539-R542 PolarHBondContact O-N 3Å; R542-G544 PolarHBondContact O-N 3.33Å |
| 543 | L | 85.9 | Confident | 70.8 | Confident | 49 Ų | 49 | 90.8 Ų | 90.8 | 26% | 0.257 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -2.3 | 176.9 | -68.8 | 168.9 | 0 | 0 | 0 | 114.6 | V478 P514 V539 R545 | V478-L543 HydrophobicContact CB-CD2 3.84Å; V478-L543 HydrophobicContact CB-CG 4.48Å; V478-L543 HydrophobicContact CG1-CD2 4.46Å; V478-L543 HydrophobicContact CG2-CD2 4.07Å; V478-L543 HydrophobicContact CG2-CG 4.31Å; P514-L543 HydrophobicContact CB-CD1 3.72Å; P514-L543 HydrophobicContact CG-CD1 3.98Å; P514-L543 HydrophobicContact CG-CD2 4.14Å; V539-L543 HydrophobicContact CG1-CD1 3.62Å; V539-L543 HydrophobicContact CG1-CG 4.33Å; V539-L543 WeakPolarHBondContact O-CB 3.48Å; V539-L543 VanDerWaalsContact O-CG 3.31Å; V539-L543 WeakPolarHBondContact O-CG 3.45Å; V539-L543 PolarHBondContact O-N 2.85Å; L543-R545 HydrophobicContact CB-CB 4.46Å; L543-R545 HydrophobicContact CB-CG 4.18Å; L543-R545 PolarHBondContact O-N 2.73Å |
| 544 | G | 71.3 | Confident | 68.2 | Low | 60 Ų | 60 | 94.7 Ų | 94.7 | 62% | 0.619 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 7.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A540 R541 R542 V546 | A540-G544 PolarHBondContact O-N 3.25Å; R541-G544 PolarHBondContact O-N 2.86Å; R542-G544 PolarHBondContact O-N 3.33Å; G544-V546 PolarHBondContact O-N 2.89Å |
| 545 | R | 58.4 | Low | 65.6 | Low | 164 Ų | 164 | 95.3 Ų | 95.3 | 62% | 0.619 | 52% | 0.518 | S | S | * | . | | | trans | -83.3 | 101.4 | -171.4 | -74.1 | -171.4 | -174.9 | -168.9 | 3.5 | 111.1 | A540 L543 F547 | A540-R545 PolarHBondContact O-N 3.41Å; L543-R545 HydrophobicContact CB-CB 4.46Å; L543-R545 HydrophobicContact CB-CG 4.18Å; L543-R545 PolarHBondContact O-N 2.73Å; R545-F547 HydrophobicContact CB-CD2 4.24Å; R545-F547 PolarHBondContact O-N 3.17Å |
| 546 | V | 45.9 | Very low | 63 | Low | 123 Ų | 123 | 102.2 Ų | 102.2 | 75% | 0.745 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 63.7 | 177.9 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | G544 | G544-V546 PolarHBondContact O-N 2.89Š|
| 547 | F | 48.4 | Very low | 60.3 | Low | 179 Ų | 179 | 104.7 Ų | 104.7 | 79% | 0.785 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -5.5 | 174.2 | -71 | -64.6 | 0 | 0 | 0 | 113.8 | R545 V549 | R545-F547 HydrophobicContact CB-CD2 4.24Å; R545-F547 PolarHBondContact O-N 3.17Å; F547-V549 VanDerWaalsContact C-N 3.26Å; F547-V549 PolarHBondContact O-N 3.24Å |
| 548 | Y | 48.4 | Very low | 57.7 | Low | 100 Ų | 100 | 110.7 Ų | 110.7 | 39% | 0.392 | 61% | 0.606 | S | S | . | * | | | trans | -89.6 | 31.6 | 177.5 | -126.5 | -77.2 | 0 | 0 | 0 | 114.1 | L533 R536 A540 | L533-Y548 VanDerWaalsContact CD2-OH 3.3Å; L533-Y548 WeakPolarHBondContact CD2-OH 3.44Å; R536-Y548 HydrophobicContact CB-CE2 4.2Å; R536-Y548 PolarHBondContact NH1-OH 2.72Å; A540-Y548 HydrophobicContact CB-CD2 4.09Å |
| 549 | V | 44.4 | Very low | 55.2 | Low | 135 Ų | 135 | 116 Ų | 116 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -125.6 | 47.5 | 174.2 | -159.8 | 0 | 0 | 0 | 0 | 110.2 | F547 | F547-V549 VanDerWaalsContact C-N 3.26Å; F547-V549 PolarHBondContact O-N 3.24Å |
| 550 | A | 45.6 | Very low | 52.6 | Low | 76 Ų | 76 | 120.7 Ų | 120.7 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -134 | 143.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 551 | S | 43 | Very low | 50 | Low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 69.7 | 34.1 | 165.8 | -53 | 0 | 0 | 0 | 0 | 119.1 | | |
| 552 | F | 31.4 | Very low | 47.3 | Very low | 185 Ų | 185 | 123.3 Ų | 123.3 | 81% | 0.811 | 70% | 0.698 | S | S | * | * | | | trans | -137.7 | 110.8 | 142.1 | -86.8 | -71.5 | 0 | 0 | 0 | 111 | V554 | F552-V554 PolarHBondContact O-N 3.34Å; F552-V554 VanDerWaalsContact O-N 3.12Å |
| 553 | P | 42.7 | Very low | 44.7 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | | | trans | -73.8 | 100.5 | 166.4 | 30.3 | -30.6 | 0 | 0 | 0 | 108.4 | A555 | P553-A555 VanDerWaalsContact C-N 3.29Å; P553-A555 PolarHBondContact O-N 2.95Å |
| 554 | V | 39.7 | Very low | 42.3 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | trans | -67.9 | 93.5 | 168.4 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | F552 L556 | F552-V554 PolarHBondContact O-N 3.34Å; F552-V554 VanDerWaalsContact O-N 3.12Å; V554-L556 PolarHBondContact O-N 3.5Å; V554-L556 VanDerWaalsContact O-N 3.09Å |
| 555 | A | 41.9 | Very low | 40.5 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -63.9 | 109.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | P553 | P553-A555 VanDerWaalsContact C-N 3.29Å; P553-A555 PolarHBondContact O-N 2.95Å |
| 556 | L | 39.6 | Very low | 39.5 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | -55.7 | 126.3 | 167.6 | -78.7 | 163 | 0 | 0 | 0 | 108.5 | V554 L558 | V554-L556 PolarHBondContact O-N 3.5Å; V554-L556 VanDerWaalsContact O-N 3.09Å; L556-L558 VanDerWaalsContact C-N 3.28Å; L556-L558 PolarHBondContact O-N 3.1Å |
| 557 | P | 36.3 | Very low | 38.8 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -71.7 | 87.6 | 174.1 | 29.4 | -33.4 | 0 | 0 | 0 | 109.2 | Q559 | P557-Q559 PolarHBondContact O-N 3.42Š|
| 558 | L | 37.2 | Very low | 38.2 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -58.9 | 110.5 | 165 | -70 | 175.7 | 0 | 0 | 0 | 107.9 | L556 P560 | L556-L558 VanDerWaalsContact C-N 3.28Å; L556-L558 PolarHBondContact O-N 3.1Å; L558-P560 WeakPolarHBondContact O-CD 3.02Å |
| 559 | Q | 40.8 | Very low | 37.3 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 122.4 | 178.6 | -68.9 | -177.6 | -13.1 | 0 | 0 | 109.7 | P557 | P557-Q559 PolarHBondContact O-N 3.42Š|
| 560 | P | 38.6 | Very low | 36.7 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.9 | 168.2 | 30.1 | -32.7 | 0 | 0 | 0 | 109.2 | L558 T562 | L558-P560 WeakPolarHBondContact O-CD 3.02Å; P560-T562 PolarHBondContact O-N 3.2Å |
| 561 | P | 34.8 | Very low | 35.8 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.5 | 178.3 | 26.7 | -33.7 | 0 | 0 | 0 | 110.7 | L563 | P561-L563 PolarHBondContact O-N 2.7Š|
| 562 | T | 32.1 | Very low | 35.1 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | | | trans | -75 | 94.2 | 180 | 43.3 | 0 | 0 | 0 | 0 | 112.3 | P560 R564 | P560-T562 PolarHBondContact O-N 3.2Å; T562-R564 PolarHBondContact O-N 3.21Å |
| 563 | L | 32.7 | Very low | 35 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 94% | 0.942 | 81% | 0.812 | S | S | * | * | | | trans | -76.4 | 96 | 155.2 | -80.9 | 171.5 | 0 | 0 | 0 | 109.2 | P561 | P561-L563 PolarHBondContact O-N 2.7Š|
| 564 | R | 34.3 | Very low | 34.4 | Very low | 224 Ų | 224 | 146.8 Ų | 146.8 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | -82.7 | 110.6 | 170.2 | -87.1 | -75.5 | 178.1 | 104.6 | -2.9 | 110 | T562 | T562-R564 PolarHBondContact O-N 3.21Š|
| 565 | A | 34.8 | Very low | 34 | Very low | 80 Ų | 80 | 149 Ų | 149 | 66% | 0.661 | 82% | 0.819 | S | S | * | * | | | trans | -71 | 145.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 566 | P | 36.8 | Very low | 33.8 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | | | trans | -91.6 | 105 | 174.5 | 33.4 | -30.1 | 0 | 0 | 0 | 111.1 | | |
| 567 | E | 32.3 | Very low | 33.4 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | -98.3 | 138.2 | 161.7 | -70.3 | -177.3 | 109.7 | 0 | 0 | 109.9 | | |
| 568 | R | 35.2 | Very low | 33.3 | Very low | 250 Ų | 250 | 150.3 Ų | 150.3 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | | | trans | -143.4 | 124.1 | 166.6 | -89.9 | -166.5 | 161.5 | -161.6 | -7.2 | 108.6 | | |
| 569 | E | 30 | Very low | 33.8 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | | | trans | -91.6 | 133.5 | 179 | -66 | -155.7 | 97.1 | 0 | 0 | 112.8 | | |
| 570 | L | 31.5 | Very low | 33.3 | Very low | 177 Ų | 177 | 146 Ų | 146 | 93% | 0.927 | 82% | 0.817 | S | S | * | * | | | trans | 34.4 | 122.4 | 140.2 | -144.3 | 72.7 | 0 | 0 | 0 | 120.6 | | |
| 571 | G | 26.9 | Very low | 32.9 | Very low | 64 Ų | 64 | 147.1 Ų | 147.1 | 66% | 0.66 | 82% | 0.822 | S | S | * | * | | | trans | 179.9 | 100 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 572 | T | 27.8 | Very low | 32.6 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 97% | 0.969 | 82% | 0.816 | S | S | * | * | | | trans | 69.6 | 128.7 | 161.6 | -47.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 573 | G | 29.5 | Very low | 32.5 | Very low | 66 Ų | 66 | 145.8 Ų | 145.8 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | | | trans | 133.4 | 95.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 574 | E | 30.2 | Very low | 32.4 | Very low | 199 Ų | 199 | 141.9 Ų | 141.9 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | | | trans | 44.2 | 136.2 | 151.5 | -57.7 | -168.9 | 92.9 | 0 | 0 | 123.1 | | |
| 575 | Q | 31.4 | Very low | 33.1 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -80.9 | 152.3 | 157.8 | -135.5 | -168 | -16.4 | 0 | 0 | 108.6 | | |
| 576 | P | 38.1 | Very low | 33 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | | | | -156.2 | 170.1 | 80.7 | 41.2 | -21.9 | 0 | 0 | 0 | 117.7 | | |
| 577 | L | 30.7 | Very low | 32.7 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | 65.2 | 137.2 | 150.9 | -71.2 | 159.3 | 0 | 0 | 0 | 121.8 | | |
| 578 | S | 34.8 | Very low | 32.6 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | | | trans | -110.5 | 144.5 | 170.6 | -48.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 579 | P | 46.7 | Very low | 32.4 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -142.1 | -178.6 | 143.7 | 35.6 | -19.2 | 0 | 0 | 0 | 113.8 | | |
| 580 | T | 29.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | | -171.4 | 145.1 | -57.7 | -89 | 0 | 0 | 0 | 0 | 108.8 | | |
| 581 | T | 30.4 | Very low | 32.6 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | 62.5 | 120.2 | 172.1 | 43.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 582 | A | 28.7 | Very low | 33 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | | | | 103.9 | 160.9 | 89.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 583 | T | 29.5 | Very low | 33.3 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | | | cis | -150.8 | 161 | 21.8 | -39 | 0 | 0 | 0 | 0 | 111.9 | | |
| 584 | S | 32.4 | Very low | 33.3 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | trans | -87.7 | 166.3 | 167 | -169.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 585 | P | 48.3 | Very low | 33.3 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | | | | -152.9 | -173.3 | 93.9 | 35.4 | -13.2 | 0 | 0 | 0 | 116.1 | | |
| 586 | Y | 32.8 | Very low | 33.2 | Very low | 226 Ų | 226 | 122.5 Ų | 122.5 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | | | trans | 68.1 | 124.9 | -179.1 | -67.3 | -91 | 0 | 0 | 0 | 116 | | |
| 587 | G | 29.8 | Very low | 32.8 | Very low | 78 Ų | 78 | 122.5 Ų | 122.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | cis | 107.2 | 127 | -1.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 588 | G | 30.9 | Very low | 33.8 | Very low | 85 Ų | 85 | 120.1 Ų | 120.1 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | | | cis | -176.9 | 178.7 | -2.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 589 | G | 29.8 | Very low | 33.7 | Very low | 74 Ų | 74 | 121.9 Ų | 121.9 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | | | trans | -179.7 | 131.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 590 | H | 35.5 | Very low | 33.1 | Very low | 190 Ų | 190 | 125.4 Ų | 125.4 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | | | trans | -52.3 | 148.9 | -177.6 | -54.5 | -91.7 | 0 | 0 | 0 | 115.3 | | |
| 591 | A | 31.4 | Very low | 33.2 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | cis | 102.5 | 123.3 | 21 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 592 | L | 35.9 | Very low | 33.5 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | | | trans | 166.6 | 122.8 | 159.7 | -89.6 | 161.1 | 0 | 0 | 0 | 105.9 | | |
| 593 | A | 33.3 | Very low | 33.9 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | | | | 66.3 | 133.6 | 69.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 594 | G | 28.3 | Very low | 34 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | cis | 162.8 | 164 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 595 | Q | 30.9 | Very low | 34.2 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | 67.5 | 165.4 | 174.4 | -43.1 | -160.5 | 15.1 | 0 | 0 | 115.7 | | |
| 596 | T | 28.7 | Very low | 33.6 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | cis | -149.3 | 177.8 | 9.4 | -15.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 597 | S | 29.7 | Very low | 33.6 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | -80.1 | -170.1 | 169.9 | -144.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 598 | P | 52.4 | Low | 33.9 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | | | cis | -147.9 | 170.3 | 6.6 | 45.1 | -24.7 | 0 | 0 | 0 | 120.6 | | |
| 599 | K | 32.4 | Very low | 34.8 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | | | trans | 28.9 | 130.6 | 134.3 | -167.7 | -174.4 | 175.5 | -175.4 | 0 | 122.4 | E601 | K599-E601 WeakPolarHBondContact CE-OE1 3.34Å; K599-E601 WeakPolarHBondContact CE-OE2 3.49Å; K599-E601 IonicContact NZ-OE1 3.2Å; K599-E601 PolarHBondContact NZ-OE1 3.43Å; K599-E601 IonicContact NZ-OE2 3.65Å; K599-E601 PolarHBondContact NZ-OE2 2.68Å |
| 600 | Q | 34.8 | Very low | 34.8 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -142.2 | -177.8 | 142.3 | -143.4 | 179.6 | -5.8 | 0 | 0 | 111.5 | | |
| 601 | E | 32.4 | Very low | 34.9 | Very low | 141 Ų | 141 | 129 Ų | 129 | 66% | 0.659 | 79% | 0.793 | S | S | * | * | | | trans | -159 | 145.3 | -153 | -150.9 | 150.6 | 50.2 | 0 | 0 | 114.1 | K599 | K599-E601 WeakPolarHBondContact CE-OE1 3.34Å; K599-E601 WeakPolarHBondContact CE-OE2 3.49Å; K599-E601 IonicContact NZ-OE1 3.2Å; K599-E601 PolarHBondContact NZ-OE1 3.43Å; K599-E601 IonicContact NZ-OE2 3.65Å; K599-E601 PolarHBondContact NZ-OE2 2.68Å |
| 602 | N | 35.5 | Very low | 36.1 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | 64.7 | 158.7 | 175.2 | -100.3 | -22.1 | 0 | 0 | 0 | 119.3 | | |
| 603 | G | 36.7 | Very low | 36.2 | Very low | 56 Ų | 56 | 129.8 Ų | 129.8 | 58% | 0.577 | 79% | 0.792 | S | S | * | * | | | cis | 144 | 148.1 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 604 | T | 31.6 | Very low | 37.4 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | | | trans | 178.7 | 155.5 | 158.4 | -77.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 605 | L | 37.9 | Very low | 38 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -148.9 | 164.4 | -171.4 | -163.2 | 146.2 | 0 | 0 | 0 | 112.4 | | |
| 606 | A | 35.1 | Very low | 38.6 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | | | trans | 83.8 | 157.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 607 | L | 33.6 | Very low | 40.2 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | | | cis | -138.4 | 172.8 | 17.8 | -76.1 | 161 | 0 | 0 | 0 | 113.8 | | |
| 608 | L | 35.4 | Very low | 40.9 | Very low | 164 Ų | 164 | 134 Ų | 134 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | -91.8 | -174.7 | 161.3 | -63.7 | 173.5 | 0 | 0 | 0 | 109.7 | | |
| 609 | P | 48.4 | Very low | 40.5 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | | | cis | -136.3 | -172.9 | 0.5 | 43.5 | -25.3 | 0 | 0 | 0 | 115.6 | | |
| 610 | G | 30.1 | Very low | 40.9 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | | | trans | 173.6 | 150.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 611 | A | 37.4 | Very low | 41.3 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | -165.6 | 177 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 612 | P | 57.3 | Low | 41.7 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | | | cis | -128.4 | -148.1 | -33 | 39.3 | -20.5 | 0 | 0 | 0 | 112.1 | | |
| 613 | D | 38.1 | Very low | 42.1 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 83% | 0.829 | 83% | 0.827 | S | S | * | * | | | trans | 90.5 | 154.5 | 156.4 | -95.7 | 23.5 | 0 | 0 | 0 | 122.2 | | |
| 614 | P | 57.7 | Low | 42.5 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 70% | 0.701 | 84% | 0.843 | S | S | * | * | | | trans | -130.2 | -178.1 | -154.2 | 44.9 | -30 | 0 | 0 | 0 | 115.8 | | |
| 615 | S | 41.9 | Very low | 43.2 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | | | trans | -161.8 | 142.8 | 148.5 | -12.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 616 | Q | 44.3 | Very low | 43.5 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | | | trans | -89.3 | 173 | 152.2 | -58.6 | 179.7 | -36.8 | 0 | 0 | 108.6 | | |
| 617 | P | 61.7 | Low | 44.2 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 70% | 0.695 | 85% | 0.849 | S | S | * | * | | | | -152.6 | 156.9 | 87 | 39.2 | -21.6 | 0 | 0 | 0 | 116.8 | | |
| 618 | L | 44.1 | Very low | 45.1 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 83% | 0.832 | 85% | 0.846 | S | S | * | * | | | trans | 62.4 | 139.1 | 149.4 | -64.8 | 163.2 | 0 | 0 | 0 | 118.8 | | |
| 619 | C | 44.5 | Very low | 46 | Very low | 191 Ų | 191 | 131.8 Ų | 131.8 | 100% | 1.291 | 84% | 0.844 | S | S | * | * | | | cis | -131.1 | 0 | -1.9 | -79.5 | 0 | 0 | 0 | 0 | 110 | | |