| 1 | M | 35.5 | Very low | 44.8 | Very low | 245 Ų | 245 | 143.8 Ų | 143.8 | 100% | 1.207 | 84% | 0.837 | S | S | * | * | | | | 0 | 130 | 0 | -52.6 | -148.1 | -69.1 | 0 | 0 | 106.8 | | |
| 2 | A | 47.1 | Very low | 44.8 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 72% | 0.719 | 84% | 0.835 | S | S | * | * | | | cis | -160.4 | 136.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 3 | L | 46.3 | Very low | 44.4 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 86% | 0.864 | 85% | 0.845 | S | S | * | * | | | trans | 45.5 | 115.1 | 143.2 | -49.7 | 177 | 0 | 0 | 0 | 121 | | |
| 4 | V | 47.8 | Very low | 44.9 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 81% | 0.806 | 85% | 0.847 | S | S | * | * | | | trans | -77 | 145.4 | 147.9 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 5 | P | 49.8 | Very low | 44.4 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | | | | -144 | 132.9 | 124.8 | 25.3 | -4.9 | 0 | 0 | 0 | 114.7 | | |
| 6 | E | 41.9 | Very low | 43.9 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | | | trans | -65.2 | 137.6 | 154.8 | -168.6 | -180 | 148.7 | 0 | 0 | 109.6 | | |
| 7 | S | 39.4 | Very low | 43.9 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | | | trans | -169.2 | 129.7 | 145.2 | 52.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 8 | S | 53.5 | Low | 44.2 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | | | trans | -68 | 133.3 | 176.9 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 9 | K | 47 | Very low | 43.8 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | | | trans | -153.9 | 117.3 | 162.1 | -170.3 | 155.8 | 175.2 | 172.4 | 0 | 109.1 | | |
| 10 | D | 45 | Very low | 43.9 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | | | trans | -179.5 | 105 | 148.9 | -84 | -24 | 0 | 0 | 0 | 104.8 | | |
| 11 | G | 39.9 | Very low | 43.9 | Very low | 63 Ų | 63 | 138.9 Ų | 138.9 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | | | | 67.1 | 104.8 | 71.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 12 | S | 44.3 | Very low | 44 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | | -178.6 | 146.1 | 82.7 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 13 | W | 39.8 | Very low | 44.3 | Very low | 256 Ų | 256 | 142 Ų | 142 | 97% | 0.97 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 137.5 | -178.4 | -63.9 | 34.3 | 0 | 0 | 0 | 110.8 | | |
| 14 | S | 50.7 | Low | 44.3 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 121.7 | 165.9 | -19.8 | 0 | 0 | 0 | 0 | 108 | | |
| 15 | G | 37.3 | Very low | 44.2 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 155.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 16 | D | 37.2 | Very low | 44 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | 64.9 | 99.2 | 141 | -62.2 | -56.3 | 0 | 0 | 0 | 121.2 | | |
| 17 | N | 43.3 | Very low | 44.1 | Very low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | | 11.1 | 152.9 | 120.7 | -111.9 | -23.2 | 0 | 0 | 0 | 119 | | |
| 18 | P | 49.6 | Very low | 44.6 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | cis | -137.8 | 164 | 41.7 | 33.5 | -11.2 | 0 | 0 | 0 | 117.2 | | |
| 19 | D | 37 | Very low | 44.5 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | | | trans | 90.2 | 77.9 | 158.2 | -54.2 | -32.9 | 0 | 0 | 0 | 118.4 | | |
| 20 | S | 45.5 | Very low | 43.9 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -83.3 | 132.2 | 148.6 | -113.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 21 | P | 45 | Very low | 43.9 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | | | trans | -134.7 | 115.5 | 133.2 | 15.5 | 6.5 | 0 | 0 | 0 | 111.9 | | |
| 22 | W | 37.4 | Very low | 44 | Very low | 246 Ų | 246 | 141 Ų | 141 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | | | trans | 67.6 | 107.9 | 143.1 | -56.7 | 98.1 | 0 | 0 | 0 | 119.4 | | |
| 23 | H | 52.3 | Low | 44.4 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 70% | 0.704 | 79% | 0.793 | S | S | * | * | | | trans | -55.4 | 155.6 | 150.1 | -102.5 | -89.1 | 0 | 0 | 0 | 110.3 | E25 | H23-E25 IonicContact CE1-OE2 3.6Š|
| 24 | P | 46 | Very low | 44.6 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | cis | -144.9 | 157.4 | 48.1 | 34.6 | -12.5 | 0 | 0 | 0 | 117.5 | S26 | P24-S26 PolarHBondContact O-N 2.96Š|
| 25 | E | 45.9 | Very low | 44.3 | Very low | 164 Ų | 164 | 139 Ų | 139 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 120.9 | 171.9 | -69.9 | 165.3 | 100.4 | 0 | 0 | 110.8 | H23 | H23-E25 IonicContact CE1-OE2 3.6Š|
| 26 | S | 45.8 | Very low | 44.5 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 120 | 164.7 | -65.3 | 0 | 0 | 0 | 0 | 109.2 | P24 Q28 | P24-S26 PolarHBondContact O-N 2.96Å; S26-Q28 PolarHBondContact O-N 3.34Å |
| 27 | P | 44.9 | Very low | 45 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 125.3 | 174.1 | 27.1 | -29.4 | 0 | 0 | 0 | 110.6 | | |
| 28 | Q | 48.5 | Very low | 45.2 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 127.7 | -172.8 | -63.8 | 165.2 | -7.3 | 0 | 0 | 112.3 | S26 A30 | S26-Q28 PolarHBondContact O-N 3.34Å; Q28-A30 PolarHBondContact O-N 3.24Å; Q28-A30 VanDerWaalsContact O-N 3.08Å |
| 29 | L | 51.3 | Low | 44.8 | Very low | 188 Ų | 188 | 148.7 Ų | 148.7 | 98% | 0.984 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 96.4 | 163.8 | -70.9 | 173.2 | 0 | 0 | 0 | 109.1 | | |
| 30 | A | 35.4 | Very low | 45.4 | Very low | 85 Ų | 85 | 148.3 Ų | 148.3 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | trans | -125 | 96.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q28 | Q28-A30 PolarHBondContact O-N 3.24Å; Q28-A30 VanDerWaalsContact O-N 3.08Å |
| 31 | N | 43.9 | Very low | 45.1 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | -89.2 | 135.6 | 168.3 | -155.5 | -10.3 | 0 | 0 | 0 | 108.1 | | |
| 32 | P | 42 | Very low | 45.2 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | -136.5 | 113.2 | 140.7 | 32.2 | -16 | 0 | 0 | 0 | 111.9 | S34 | P32-S34 PolarHBondContact O-N 2.97Š|
| 33 | L | 53 | Low | 45.4 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | -6.7 | 92.5 | 136.4 | -176.8 | 69.1 | 0 | 0 | 0 | 114 | | |
| 34 | S | 45 | Very low | 44.9 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | -118.7 | 111.3 | 167.3 | 63.8 | 0 | 0 | 0 | 0 | 110 | P32 N36 | P32-S34 PolarHBondContact O-N 2.97Å; S34-N36 PolarHBondContact O-N 3.04Å |
| 35 | K | 45.1 | Very low | 44.7 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -68.9 | 110.5 | 171.9 | -72.6 | 157.3 | 170.9 | 172.3 | 0 | 110 | | |
| 36 | N | 40.7 | Very low | 44.9 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | | | trans | -144.8 | 93.5 | 149.8 | 62.4 | -16.9 | 0 | 0 | 0 | 107.5 | S34 | S34-N36 PolarHBondContact O-N 3.04Š|
| 37 | R | 48.3 | Very low | 45.1 | Very low | 220 Ų | 220 | 150.3 Ų | 150.3 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | | | | 28.2 | 113.7 | 97.5 | -165.6 | 173.8 | 175.4 | 170 | 2.6 | 114 | | |
| 38 | E | 47.3 | Very low | 45.2 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | | | trans | 93.5 | 133.6 | 156.1 | -115.2 | 149.9 | 99.3 | 0 | 0 | 118.7 | | |
| 39 | E | 40.3 | Very low | 45.4 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 92.3 | 85.1 | 153.2 | -146.6 | 171.1 | 154.7 | 0 | 0 | 118.9 | | |
| 40 | T | 49.1 | Very low | 45.4 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | trans | 26.8 | 95.3 | 132.9 | 51.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 41 | G | 39.6 | Very low | 46 | Very low | 68 Ų | 68 | 148.3 Ų | 148.3 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -125.2 | 124.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108 | C43 | G41-C43 PolarHBondContact O-N 3.08Š|
| 42 | R | 46.7 | Very low | 46.5 | Very low | 232 Ų | 232 | 145 Ų | 145 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | | | trans | -42.9 | 122.9 | 178.5 | -70.3 | 172.1 | 175.3 | -106.1 | -0.9 | 110.9 | E44 | R42-E44 VanDerWaalsContact C-N 3.27Å; R42-E44 PolarHBondContact O-N 2.94Å |
| 43 | C | 42.2 | Very low | 47.4 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -70.5 | 95.2 | 156.6 | -66.6 | 0 | 0 | 0 | 0 | 105.9 | G41 D45 | G41-C43 PolarHBondContact O-N 3.08Å; C43-D45 PolarHBondContact O-N 2.8Å |
| 44 | E | 41.6 | Very low | 48.2 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | | | trans | -63.8 | 96 | 155.8 | -137.1 | 100.8 | 175.5 | 0 | 0 | 104.6 | R42 H46 | R42-E44 VanDerWaalsContact C-N 3.27Å; R42-E44 PolarHBondContact O-N 2.94Å; E44-H46 PolarHBondContact O-N 3.45Å |
| 45 | D | 42.9 | Very low | 48.7 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -58.1 | 103.6 | 171.5 | -143.3 | -104 | 0 | 0 | 0 | 105.6 | C43 Q47 | C43-D45 PolarHBondContact O-N 2.8Å; D45-Q47 PolarHBondContact O-N 3.39Å |
| 46 | H | 49.7 | Very low | 49.9 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | trans | -60.8 | 92.7 | 168.7 | -107.1 | -62 | 0 | 0 | 0 | 106 | E44 D48 | E44-H46 PolarHBondContact O-N 3.45Å; H46-D48 VanDerWaalsContact C-N 3.27Å; H46-D48 PolarHBondContact O-N 2.92Å |
| 47 | Q | 50.4 | Low | 51.5 | Low | 154 Ų | 154 | 152.4 Ų | 152.4 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -65.9 | 98.4 | 164.1 | -65.8 | -162.2 | 21.3 | 0 | 0 | 106.2 | D45 V49 | D45-Q47 PolarHBondContact O-N 3.39Å; Q47-V49 HydrophobicContact CB-CG2 4.21Å; Q47-V49 PolarHBondContact O-N 2.84Å |
| 48 | D | 46.4 | Very low | 52.2 | Low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -61 | 87 | 153.6 | -87.7 | -40.8 | 0 | 0 | 0 | 106.4 | H46 E50 | H46-D48 VanDerWaalsContact C-N 3.27Å; H46-D48 PolarHBondContact O-N 2.92Å; D48-E50 PolarHBondContact O-N 2.83Å |
| 49 | V | 52.8 | Low | 52.7 | Low | 101 Ų | 101 | 145.8 Ų | 145.8 | 61% | 0.612 | 77% | 0.768 | S | S | * | * | | | trans | -72.1 | 88 | 161 | -179.2 | 0 | 0 | 0 | 0 | 105 | Q47 V51 | Q47-V49 HydrophobicContact CB-CG2 4.21Å; Q47-V49 PolarHBondContact O-N 2.84Å; V49-V51 HydrophobicContact CG1-CG2 3.81Å; V49-V51 PolarHBondContact O-N 2.96Å |
| 50 | E | 51.3 | Low | 54.2 | Low | 183 Ų | 183 | 144.7 Ų | 144.7 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -60.2 | 92.3 | 160.5 | -85.3 | -171.2 | 133.8 | 0 | 0 | 107.7 | D48 S52 | D48-E50 PolarHBondContact O-N 2.83Å; E50-S52 PolarHBondContact O-N 2.77Å |
| 51 | V | 47.2 | Very low | 55.5 | Low | 103 Ų | 103 | 143.6 Ų | 143.6 | 62% | 0.624 | 76% | 0.759 | S | S | * | * | | | trans | -74.9 | 83.2 | 168.6 | -155.8 | 0 | 0 | 0 | 0 | 106.5 | V49 Q53 | V49-V51 HydrophobicContact CG1-CG2 3.81Å; V49-V51 PolarHBondContact O-N 2.96Å; V51-Q53 HydrophobicContact CB-CG 4.41Å; V51-Q53 HydrophobicContact CG1-CG 3.87Å; V51-Q53 PolarHBondContact O-N 2.91Å |
| 52 | S | 55.9 | Low | 57 | Low | 87 Ų | 87 | 146.1 Ų | 146.1 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | -63.3 | 85.9 | 164 | 162.9 | 0 | 0 | 0 | 0 | 107.6 | E50 K54 | E50-S52 PolarHBondContact O-N 2.77Å; S52-K54 PolarHBondContact O-N 2.77Å |
| 53 | Q | 59.6 | Low | 57.8 | Low | 170 Ų | 170 | 143.7 Ų | 143.7 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | -70.2 | 78.8 | 170.3 | -63.4 | -163.6 | 15.1 | 0 | 0 | 108.5 | V51 P55 | V51-Q53 HydrophobicContact CB-CG 4.41Å; V51-Q53 HydrophobicContact CG1-CG 3.87Å; V51-Q53 PolarHBondContact O-N 2.91Å; Q53-P55 WeakPolarHBondContact O-CD 3.45Å |
| 54 | K | 69.3 | Low | 58.6 | Low | 164 Ų | 164 | 142.6 Ų | 142.6 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -57.7 | 123.6 | 161.3 | -123.6 | 81.4 | 160 | -172.3 | 0 | 105.8 | S52 R56 | S52-K54 PolarHBondContact O-N 2.77Å; K54-R56 PolarHBondContact O-N 3.39Å |
| 55 | P | 57.4 | Low | 59.5 | Low | 120 Ų | 120 | 140.4 Ų | 140.4 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | trans | -61 | 111.1 | 171 | 24.4 | -30.6 | 0 | 0 | 0 | 107 | Q53 L57 | Q53-P55 WeakPolarHBondContact O-CD 3.45Å; P55-L57 PolarHBondContact O-N 2.83Å |
| 56 | R | 69.4 | Low | 60.2 | Low | 238 Ų | 238 | 143.2 Ų | 143.2 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 121.7 | 174.6 | -66.2 | -162.3 | -176.6 | -173.3 | 3.8 | 106.7 | K54 | K54-R56 PolarHBondContact O-N 3.39Š|
| 57 | L | 74.9 | Confident | 60.1 | Low | 154 Ų | 154 | 137.9 Ų | 137.9 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 141.2 | 171 | -63.2 | 174.6 | 0 | 0 | 0 | 108.7 | P55 S59 | P55-L57 PolarHBondContact O-N 2.83Å; L57-S59 PolarHBondContact O-N 2.8Å; L57-S59 VanDerWaalsContact O-N 3.13Å |
| 58 | P | 61.3 | Low | 60.1 | Low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 120 | 177.4 | 24.5 | -32.1 | 0 | 0 | 0 | 109.1 | | |
| 59 | S | 59.2 | Low | 60.5 | Low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | -85.7 | 112.6 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | L57 | L57-S59 PolarHBondContact O-N 2.8Å; L57-S59 VanDerWaalsContact O-N 3.13Å |
| 60 | I | 72.3 | Confident | 60.7 | Low | 149 Ų | 149 | 140.4 Ų | 140.4 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | -85.2 | 121.2 | 167.9 | -172.2 | 167.3 | 0 | 0 | 0 | 108.8 | V62 | I60-V62 HydrophobicContact CD1-CG2 4.48Å; I60-V62 HydrophobicContact CG1-CG2 4.25Å |
| 61 | V | 74.8 | Confident | 60.9 | Low | 113 Ų | 113 | 138.2 Ų | 138.2 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | -103.7 | 119.8 | 171.2 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | E63 | V61-E63 HydrophobicContact CG1-CG 4.26Š|
| 62 | V | 71 | Confident | 61.3 | Low | 121 Ų | 121 | 142.8 Ų | 142.8 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | -102.7 | 106 | 173.4 | -180 | 0 | 0 | 0 | 0 | 107 | I60 | I60-V62 HydrophobicContact CD1-CG2 4.48Å; I60-V62 HydrophobicContact CG1-CG2 4.25Å |
| 63 | E | 63.9 | Low | 61.3 | Low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | -83.1 | 115.4 | 168.6 | -66.8 | -163.2 | 127.9 | 0 | 0 | 108.6 | V61 S65 | V61-E63 HydrophobicContact CG1-CG 4.26Å; E63-S65 PolarHBondContact O-N 2.69Å |
| 64 | A | 58.5 | Low | 61.1 | Low | 100 Ų | 100 | 145 Ų | 145 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | -79.6 | 101.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | E66 | A64-E66 PolarHBondContact O-N 3.21Š|
| 65 | S | 61.3 | Low | 60.3 | Low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | -73.6 | 114.1 | 171 | -164.7 | 0 | 0 | 0 | 0 | 108.6 | E63 G67 | E63-S65 PolarHBondContact O-N 2.69Å; S65-G67 PolarHBondContact O-N 3.26Å |
| 66 | E | 57.7 | Low | 60.3 | Low | 191 Ų | 191 | 147.9 Ų | 147.9 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -66.7 | 112.7 | 168.7 | -170.3 | 171.5 | 133.3 | 0 | 0 | 107.7 | A64 S68 | A64-E66 PolarHBondContact O-N 3.21Å; E66-S68 PolarHBondContact O-N 3.29Å |
| 67 | G | 47.3 | Very low | 59.4 | Low | 66 Ų | 66 | 146.6 Ų | 146.6 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | trans | -68.6 | 118 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S65 E69 | S65-G67 PolarHBondContact O-N 3.26Å; G67-E69 PolarHBondContact O-N 2.94Å |
| 68 | S | 50.1 | Low | 58.3 | Low | 101 Ų | 101 | 143.4 Ų | 143.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -67.7 | 115.2 | 167.7 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | E66 E70 | E66-S68 PolarHBondContact O-N 3.29Å; S68-E70 PolarHBondContact O-N 3.06Å |
| 69 | E | 55.7 | Low | 57.7 | Low | 197 Ų | 197 | 146.7 Ų | 146.7 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -74.2 | 66.8 | 172.5 | 47.2 | 172.6 | 93.3 | 0 | 0 | 111.3 | G67 | G67-E69 PolarHBondContact O-N 2.94Š|
| 70 | E | 57 | Low | 57.6 | Low | 162 Ų | 162 | 148.9 Ų | 148.9 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | | | trans | -159.5 | 69.9 | 167.7 | 50.7 | -178.5 | -166.7 | 0 | 0 | 111.7 | S68 | S68-E70 PolarHBondContact O-N 3.06Š|
| 71 | D | 54.6 | Low | 56.7 | Low | 137 Ų | 137 | 149.4 Ų | 149.4 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | -166.9 | 70.5 | 147.3 | -116.7 | -49.1 | 0 | 0 | 0 | 108.1 | E73 | D71-E73 PolarHBondContact O-N 3.32Š|
| 72 | Q | 55.6 | Low | 55.9 | Low | 198 Ų | 198 | 152.3 Ų | 152.3 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | trans | -87.4 | 60.1 | 168.6 | -172.7 | 162.4 | 13.4 | 0 | 0 | 109.1 | | |
| 73 | E | 56.5 | Low | 55.2 | Low | 157 Ų | 157 | 153.1 Ų | 153.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -135.4 | 123.5 | 171.3 | -62.9 | -174.2 | 107.4 | 0 | 0 | 108 | D71 | D71-E73 PolarHBondContact O-N 3.32Š|
| 74 | D | 55.3 | Low | 54.8 | Low | 146 Ų | 146 | 150.6 Ų | 150.6 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | trans | 74.9 | 63.4 | 170 | -60.9 | -22 | 0 | 0 | 0 | 119.8 | | |
| 75 | H | 52.2 | Low | 54.5 | Low | 168 Ų | 168 | 153.8 Ų | 153.8 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | | | trans | -111.1 | 48.5 | 146.9 | -64 | -30.7 | 0 | 0 | 0 | 111.6 | W77 | H75-W77 PolarHBondContact O-N 3.07Š|
| 76 | Q | 57.7 | Low | 53.7 | Low | 178 Ų | 178 | 154.2 Ų | 154.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -78.4 | 77.8 | 163.4 | -169.7 | 99.7 | 64.2 | 0 | 0 | 108.2 | | |
| 77 | W | 50.3 | Low | 53.5 | Low | 211 Ų | 211 | 153 Ų | 153 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -57.5 | 129.2 | 165.1 | -71 | 91.8 | 0 | 0 | 0 | 108.3 | H75 H79 | H75-W77 PolarHBondContact O-N 3.07Å; W77-H79 PolarHBondContact O-N 3.17Å; W77-H79 VanDerWaalsContact O-N 3.08Å |
| 78 | P | 51.3 | Low | 53.6 | Low | 87 Ų | 87 | 152.9 Ų | 152.9 | 57% | 0.565 | 79% | 0.785 | S | S | * | * | | | trans | -66.2 | 117 | 170.7 | 27.9 | -29.8 | 0 | 0 | 0 | 106.8 | E80 | P78-E80 HydrophobicContact CB-CG 4.14Å; P78-E80 HydrophobicContact CG-CG 4.38Å; P78-E80 PolarHBondContact O-N 2.84Å |
| 79 | H | 49.8 | Very low | 53.9 | Low | 197 Ų | 197 | 157.3 Ų | 157.3 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | | | trans | -75.5 | 65.9 | 172.7 | -167.4 | 80.5 | 0 | 0 | 0 | 108.4 | W77 | W77-H79 PolarHBondContact O-N 3.17Å; W77-H79 VanDerWaalsContact O-N 3.08Å |
| 80 | E | 55.9 | Low | 53.9 | Low | 152 Ų | 152 | 156.3 Ų | 156.3 | 71% | 0.71 | 79% | 0.79 | S | S | * | * | | | trans | -98.8 | 96 | 171.5 | 50.3 | -160.8 | 168.8 | 0 | 0 | 108.6 | P78 | P78-E80 HydrophobicContact CB-CG 4.14Å; P78-E80 HydrophobicContact CG-CG 4.38Å; P78-E80 PolarHBondContact O-N 2.84Å |
| 81 | E | 54.7 | Low | 53.9 | Low | 160 Ų | 160 | 155.8 Ų | 155.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | 48.9 | 88.3 | 141.9 | -51.4 | -176.7 | 169.5 | 0 | 0 | 114.9 | L83 | E81-L83 PolarHBondContact O-N 3.11Š|
| 82 | L | 56.9 | Low | 54.1 | Low | 174 Ų | 174 | 153.7 Ų | 153.7 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | trans | -59.1 | 83.1 | 155.6 | -68.8 | 173.2 | 0 | 0 | 0 | 108.2 | V84 | L82-V84 PolarHBondContact O-N 3.1Š|
| 83 | L | 56.1 | Low | 54.1 | Low | 137 Ų | 137 | 152.3 Ų | 152.3 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | | | trans | -53 | 114 | 159 | -70 | 173.3 | 0 | 0 | 0 | 105.2 | E81 L85 | E81-L83 PolarHBondContact O-N 3.11Å; L83-L85 PolarHBondContact O-N 2.9Å |
| 84 | V | 55.3 | Low | 54.3 | Low | 128 Ų | 128 | 148 Ų | 148 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -55.1 | 96.2 | 168.4 | 175.1 | 0 | 0 | 0 | 0 | 105.7 | L82 T86 | L82-V84 PolarHBondContact O-N 3.1Å; V84-T86 PolarHBondContact O-N 2.85Å |
| 85 | L | 52.1 | Low | 54.2 | Low | 166 Ų | 166 | 149.4 Ų | 149.4 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | trans | -61 | 99.6 | 166 | -70.8 | 173.7 | 0 | 0 | 0 | 104.4 | L83 D87 | L83-L85 PolarHBondContact O-N 2.9Å; L85-D87 PolarHBondContact O-N 3.13Å |
| 86 | T | 45.3 | Very low | 54.4 | Low | 126 Ų | 126 | 150.2 Ų | 150.2 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -56.6 | 128.2 | 171.5 | 3.8 | 0 | 0 | 0 | 0 | 105.9 | V84 G88 | V84-T86 PolarHBondContact O-N 2.85Å; T86-G88 PolarHBondContact O-N 3.28Å |
| 87 | D | 53.9 | Low | 54.3 | Low | 164 Ų | 164 | 149 Ų | 149 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | -31.6 | 99.8 | 174.5 | -174.1 | 39.8 | 0 | 0 | 0 | 111.7 | L85 | L85-D87 PolarHBondContact O-N 3.13Š|
| 88 | G | 48.2 | Very low | 54.4 | Low | 64 Ų | 64 | 145.1 Ų | 145.1 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | | | trans | -119.3 | 87.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | T86 E90 | T86-G88 PolarHBondContact O-N 3.28Å; G88-E90 PolarHBondContact O-N 3.36Å |
| 89 | E | 57.4 | Low | 54.5 | Low | 195 Ų | 195 | 149.2 Ų | 149.2 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | -58.3 | 87.1 | 165.7 | -179.9 | -173.4 | 164.8 | 0 | 0 | 108.7 | | |
| 90 | E | 55 | Low | 54.9 | Low | 175 Ų | 175 | 143.4 Ų | 143.4 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -118.1 | 112.4 | 168.3 | -176.8 | -174.1 | 179 | 0 | 0 | 107.3 | G88 A92 | G88-E90 PolarHBondContact O-N 3.36Å; E90-A92 PolarHBondContact O-N 3.31Å |
| 91 | D | 57.5 | Low | 54.9 | Low | 151 Ų | 151 | 145.3 Ų | 145.3 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | -50 | 98.2 | 171.2 | -94.5 | -40.5 | 0 | 0 | 0 | 110.6 | E93 | D91-E93 PolarHBondContact O-N 3.46Š|
| 92 | A | 59 | Low | 54.9 | Low | 94 Ų | 94 | 145.2 Ų | 145.2 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | -75 | 80.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | E90 A94 | E90-A92 PolarHBondContact O-N 3.31Å; A92-A94 PolarHBondContact O-N 3.32Å |
| 93 | E | 55.7 | Low | 54.9 | Low | 168 Ų | 168 | 143.2 Ų | 143.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -61.7 | 83.7 | 157.7 | -76.5 | -154.5 | 174.4 | 0 | 0 | 108 | D91 F95 | D91-E93 PolarHBondContact O-N 3.46Å; E93-F95 VanDerWaalsContact C-N 3.29Å; E93-F95 PolarHBondContact O-N 3.1Å |
| 94 | A | 59.7 | Low | 54.9 | Low | 67 Ų | 67 | 139 Ų | 139 | 55% | 0.554 | 76% | 0.759 | S | S | * | * | | | trans | -67.7 | 95.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107 | A92 F96 | A92-A94 PolarHBondContact O-N 3.32Å; A94-F96 VanDerWaalsContact C-N 3.27Å; A94-F96 HydrophobicContact CB-CE2 4.42Å; A94-F96 VanDerWaalsContact O-CD2 3.27Å; A94-F96 WeakPolarHBondContact O-CD2 3.44Å; A94-F96 PolarHBondContact O-N 2.94Å |
| 95 | F | 54.3 | Low | 54.5 | Low | 175 Ų | 175 | 143.8 Ų | 143.8 | 77% | 0.768 | 76% | 0.763 | S | S | * | * | | | trans | -61.5 | 91.4 | 168 | -150 | -86.1 | 0 | 0 | 0 | 107.4 | E93 Q97 | E93-F95 VanDerWaalsContact C-N 3.29Å; E93-F95 PolarHBondContact O-N 3.1Å; F95-Q97 VanDerWaalsContact C-N 3.32Å; F95-Q97 HydrophobicContact CD1-CG 4.2Å; F95-Q97 PolarHBondContact O-N 2.88Å |
| 96 | F | 55.6 | Low | 54.7 | Low | 185 Ų | 185 | 140.5 Ų | 140.5 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | trans | -61.1 | 99 | 170.5 | -71.1 | -86.8 | 0 | 0 | 0 | 107.1 | A94 D98 | A94-F96 VanDerWaalsContact C-N 3.27Å; A94-F96 HydrophobicContact CB-CE2 4.42Å; A94-F96 VanDerWaalsContact O-CD2 3.27Å; A94-F96 WeakPolarHBondContact O-CD2 3.44Å; A94-F96 PolarHBondContact O-N 2.94Å; F96-D98 PolarHBondContact O-N 2.98Å |
| 97 | Q | 55.4 | Low | 54.8 | Low | 154 Ų | 154 | 145.9 Ų | 145.9 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -70.3 | 88.5 | 164.9 | -70.8 | -165 | 7.1 | 0 | 0 | 107.2 | F95 Q99 | F95-Q97 VanDerWaalsContact C-N 3.32Å; F95-Q97 HydrophobicContact CD1-CG 4.2Å; F95-Q97 PolarHBondContact O-N 2.88Å; Q97-Q99 PolarHBondContact O-N 2.85Å |
| 98 | D | 53.1 | Low | 54.9 | Low | 128 Ų | 128 | 145.2 Ų | 145.2 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | | | trans | -62 | 103.5 | 171.5 | -165.1 | 2.1 | 0 | 0 | 0 | 108.4 | F96 S100 | F96-D98 PolarHBondContact O-N 2.98Å; D98-S100 PolarHBondContact O-N 3.23Å; D98-S100 WeakPolarHBondContact OD1-CB 3.12Å; D98-S100 PolarHBondContact OD1-N 2.95Å; D98-S100 PolarHBondContact OD1-OG 3.22Å; D98-S100 PolarHBondContact OD2-OG 3.28Å |
| 99 | Q | 54.4 | Low | 54.9 | Low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -80.7 | 18.3 | 174.3 | -74.8 | -84.4 | -3.9 | 0 | 0 | 111.6 | Q97 E101 | Q97-Q99 PolarHBondContact O-N 2.85Å; Q99-E101 PolarHBondContact O-N 2.95Å |
| 100 | S | 58.1 | Low | 54.8 | Low | 75 Ų | 75 | 146.1 Ų | 146.1 | 52% | 0.524 | 76% | 0.757 | S | S | . | * | | | trans | -93 | 76.5 | 169 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | D98 E102 | D98-S100 PolarHBondContact O-N 3.23Å; D98-S100 WeakPolarHBondContact OD1-CB 3.12Å; D98-S100 PolarHBondContact OD1-N 2.95Å; D98-S100 PolarHBondContact OD1-OG 3.22Å; D98-S100 PolarHBondContact OD2-OG 3.28Å; S100-E102 PolarHBondContact O-N 3.25Å |
| 101 | E | 55.6 | Low | 54.4 | Low | 192 Ų | 192 | 142.1 Ų | 142.1 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | | | trans | -66.7 | 79.4 | 158.6 | -174.9 | 177.5 | 123 | 0 | 0 | 108.7 | Q99 | Q99-E101 PolarHBondContact O-N 2.95Š|
| 102 | E | 54 | Low | 54.2 | Low | 158 Ų | 158 | 141.1 Ų | 141.1 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | | | trans | -115.6 | 109.8 | 152.3 | -165.8 | 177.1 | 135.3 | 0 | 0 | 106.9 | S100 G104 | S100-E102 PolarHBondContact O-N 3.25Å; E102-G104 PolarHBondContact O-N 3.26Å |
| 103 | P | 56.7 | Low | 54.1 | Low | 131 Ų | 131 | 142.2 Ų | 142.2 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 67.8 | -174.8 | 30.3 | -32.5 | 0 | 0 | 0 | 110.6 | | |
| 104 | G | 57.2 | Low | 53.7 | Low | 50 Ų | 50 | 137.6 Ų | 137.6 | 52% | 0.515 | 73% | 0.727 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.1 | -9.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E102 | E102-G104 PolarHBondContact O-N 3.26Š|
| 105 | W | 45.4 | Very low | 53.2 | Low | 227 Ų | 227 | 140.2 Ų | 140.2 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | | | trans | -124.4 | 78.2 | -177.1 | -57.5 | 96.6 | 0 | 0 | 0 | 110.6 | W107 | W105-W107 PolarHBondContact O-N 3.01Å; W105-W107 VanDerWaalsContact O-N 3.1Å |
| 106 | A | 56.8 | Low | 53.1 | Low | 97 Ų | 97 | 138.4 Ų | 138.4 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | | | trans | -69.9 | 101.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | I108 | A106-I108 PolarHBondContact O-N 2.85Å; A106-I108 VanDerWaalsContact O-N 3.11Å |
| 107 | W | 48 | Very low | 53.4 | Low | 239 Ų | 239 | 138.9 Ų | 138.9 | 91% | 0.905 | 73% | 0.732 | S | S | * | * | | | trans | -59.2 | 113.9 | 161.5 | -68.5 | 97.2 | 0 | 0 | 0 | 107.4 | W105 P109 | W105-W107 PolarHBondContact O-N 3.01Å; W105-W107 VanDerWaalsContact O-N 3.1Å; W107-P109 WeakPolarHBondContact O-CD 3.4Å; W107-P109 VanDerWaalsContact O-N 3.12Å |
| 108 | I | 55.4 | Low | 53.4 | Low | 151 Ų | 151 | 135.8 Ų | 135.8 | 77% | 0.774 | 72% | 0.724 | S | S | * | * | | | trans | -62.6 | 115.5 | 175.8 | -58.3 | 176.2 | 0 | 0 | 0 | 106.8 | A106 Q110 | A106-I108 PolarHBondContact O-N 2.85Å; A106-I108 VanDerWaalsContact O-N 3.11Å; I108-Q110 PolarHBondContact O-N 3.06Å; I108-Q110 VanDerWaalsContact O-N 3.17Å |
| 109 | P | 49.3 | Very low | 53.7 | Low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | -60.4 | 123.2 | 169.2 | -17.1 | 32.1 | 0 | 0 | 0 | 106.5 | W107 D111 | W107-P109 WeakPolarHBondContact O-CD 3.4Å; W107-P109 VanDerWaalsContact O-N 3.12Å; P109-D111 PolarHBondContact O-N 3.41Å |
| 110 | Q | 55.5 | Low | 53.7 | Low | 166 Ų | 166 | 132.6 Ų | 132.6 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | | | trans | -53.3 | 107.6 | -179.9 | -73.3 | -172.5 | 1.9 | 0 | 0 | 109.2 | I108 | I108-Q110 PolarHBondContact O-N 3.06Å; I108-Q110 VanDerWaalsContact O-N 3.17Å |
| 111 | D | 46.7 | Very low | 53.5 | Low | 90 Ų | 90 | 135.7 Ų | 135.7 | 48% | 0.481 | 73% | 0.729 | S | S | . | * | | | trans | -62.2 | 125.1 | 174.7 | -164.1 | -28.9 | 0 | 0 | 0 | 107.4 | P109 T113 S114 | P109-D111 PolarHBondContact O-N 3.41Å; D111-T113 PolarHBondContact O-N 2.88Å; D111-T113 PolarHBondContact OD1-OG1 3.11Å; D111-T113 VanDerWaalsContact OD1-OG1 3.07Å; D111-S114 PolarHBondContact O-N 2.95Å |
| 112 | P | 52.5 | Low | 53.3 | Low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -2 | -174.7 | 24.5 | -35.3 | 0 | 0 | 0 | 114.3 | | |
| 113 | T | 57.2 | Low | 53.2 | Low | 117 Ų | 117 | 128 Ų | 128 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -0.8 | 175.6 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | D111 | D111-T113 PolarHBondContact O-N 2.88Å; D111-T113 PolarHBondContact OD1-OG1 3.11Å; D111-T113 VanDerWaalsContact OD1-OG1 3.07Å |
| 114 | S | 46.9 | Very low | 52.9 | Low | 71 Ų | 71 | 124.6 Ų | 124.6 | 50% | 0.497 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -77.5 | 132.3 | 174.8 | -70.6 | 0 | 0 | 0 | 0 | 110.9 | D111 L116 | D111-S114 PolarHBondContact O-N 2.95Å; S114-L116 PolarHBondContact O-N 2.98Å |
| 115 | P | 48.4 | Very low | 52.7 | Low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | | | trans | -64.1 | 109.3 | 172.7 | 26.6 | -30.4 | 0 | 0 | 0 | 107.6 | R117 | P115-R117 PolarHBondContact O-N 3.1Š|
| 116 | L | 53.8 | Low | 53.2 | Low | 136 Ų | 136 | 127.1 Ų | 127.1 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | | | trans | -36.3 | 108.2 | -177.7 | -64.7 | 161 | 0 | 0 | 0 | 111.3 | S114 T118 | S114-L116 PolarHBondContact O-N 2.98Å; L116-T118 PolarHBondContact O-N 3.22Å |
| 117 | R | 60.7 | Low | 53.1 | Low | 195 Ų | 195 | 130.2 Ų | 130.2 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | | | trans | -71.5 | 77 | 156.7 | -81.5 | -122.5 | -174.6 | -170.8 | -1.2 | 106.7 | P115 I119 E128 | P115-R117 PolarHBondContact O-N 3.1Å; R117-I119 PolarHBondContact O-N 2.76Å; R117-I119 VanDerWaalsContact O-N 3.1Å; R117-E128 IonicContact CZ-OE1 3.93Å; R117-E128 IonicContact NH1-OE1 3.41Å; R117-E128 PolarHBondContact NH1-OE1 2.91Å; R117-E128 IonicContact NH1-OE2 3.06Å; R117-E128 PolarHBondContact NH1-OE2 2.95Å; R117-E128 IonicContact NH2-OE1 3.96Å |
| 118 | T | 56.8 | Low | 53.5 | Low | 90 Ų | 90 | 125.2 Ų | 125.2 | 55% | 0.552 | 71% | 0.707 | S | S | * | * | | | trans | -66 | 105.5 | 169.5 | -57.3 | 0 | 0 | 0 | 0 | 107.5 | L116 N120 | L116-T118 PolarHBondContact O-N 3.22Å; T118-N120 PolarHBondContact O-N 2.71Å |
| 119 | I | 57.7 | Low | 53.6 | Low | 135 Ų | 135 | 125.6 Ų | 125.6 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | | | trans | -75 | 107.9 | 169.7 | -57.1 | 175 | 0 | 0 | 0 | 106.2 | R117 P121 | R117-I119 PolarHBondContact O-N 2.76Å; R117-I119 VanDerWaalsContact O-N 3.1Å; I119-P121 WeakPolarHBondContact O-CD 3.27Å |
| 120 | N | 55.8 | Low | 53.6 | Low | 100 Ų | 100 | 127.7 Ų | 127.7 | 54% | 0.535 | 71% | 0.711 | S | S | . | * | | | trans | -79.1 | 120.9 | 175.6 | -71.3 | -64.9 | 0 | 0 | 0 | 108.8 | T118 G122 L123 | T118-N120 PolarHBondContact O-N 2.71Å; N120-G122 PolarHBondContact O-N 2.89Å; N120-L123 PolarHBondContact O-N 2.83Å |
| 121 | P | 53.3 | Low | 53.2 | Low | 139 Ų | 139 | 123.2 Ų | 123.2 | 90% | 0.903 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 11.5 | -174.8 | 29.2 | -34.9 | 0 | 0 | 0 | 114.5 | I119 | I119-P121 WeakPolarHBondContact O-CD 3.27Š|
| 122 | G | 50.8 | Low | 53.1 | Low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | -1.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N120 | N120-G122 PolarHBondContact O-N 2.89Š|
| 123 | L | 52.3 | Low | 52.5 | Low | 117 Ų | 117 | 132.8 Ų | 132.8 | 61% | 0.613 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -111.2 | 108 | 173.9 | -71.5 | 164.9 | 0 | 0 | 0 | 107 | N120 | N120-L123 PolarHBondContact O-N 2.83Š|
| 124 | G | 49.8 | Very low | 52.1 | Low | 58 Ų | 58 | 134 Ų | 134 | 60% | 0.598 | 72% | 0.72 | S | S | * | * | | | trans | -54.4 | 150.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G126 | G124-G126 PolarHBondContact O-N 3.16Š|
| 125 | W | 54.2 | Low | 52 | Low | 254 Ų | 254 | 135.9 Ų | 135.9 | 96% | 0.962 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 75.8 | 172.1 | -63.2 | 95.1 | 0 | 0 | 0 | 111.4 | | |
| 126 | G | 56.1 | Low | 52 | Low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 168.5 | 23.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G124 | G124-G126 PolarHBondContact O-N 3.16Š|
| 127 | Q | 53.6 | Low | 51.7 | Low | 162 Ų | 162 | 140.1 Ų | 140.1 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | | | trans | -139.8 | 48.2 | 173.6 | -156.1 | 179.6 | 1.8 | 0 | 0 | 111.6 | | |
| 128 | E | 56.7 | Low | 51.3 | Low | 133 Ų | 133 | 137 Ų | 137 | 62% | 0.621 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -125.1 | 104.5 | 158.2 | -131.3 | -176 | 151.9 | 0 | 0 | 107.3 | R117 | R117-E128 IonicContact CZ-OE1 3.93Å; R117-E128 IonicContact NH1-OE1 3.41Å; R117-E128 PolarHBondContact NH1-OE1 2.91Å; R117-E128 IonicContact NH1-OE2 3.06Å; R117-E128 PolarHBondContact NH1-OE2 2.95Å; R117-E128 IonicContact NH2-OE1 3.96Å |
| 129 | Q | 58.5 | Low | 50.8 | Low | 159 Ų | 159 | 141.8 Ų | 141.8 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | 69.4 | 77.3 | 163.9 | -48.8 | -166.9 | 26.5 | 0 | 0 | 118.1 | A131 | Q129-A131 PolarHBondContact O-N 2.85Š|
| 130 | D | 48.1 | Very low | 50.1 | Low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | | | trans | -69.8 | 80.1 | 137.3 | -85.6 | -26.8 | 0 | 0 | 0 | 107.8 | F132 | D130-F132 HydrophobicContact CB-CD2 4.48Å; D130-F132 HydrophobicContact CB-CE2 4.42Å; D130-F132 PolarHBondContact O-N 2.07Å |
| 131 | A | 47.9 | Very low | 49.8 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | | | trans | -71.1 | 87.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q129 W133 | Q129-A131 PolarHBondContact O-N 2.85Å; A131-W133 PolarHBondContact O-N 2.87Å; A131-W133 VanDerWaalsContact O-N 3.11Å |
| 132 | F | 44.8 | Very low | 49.2 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -46 | 118.3 | 161.2 | -82.4 | -99.3 | 0 | 0 | 0 | 108 | D130 I134 | D130-F132 HydrophobicContact CB-CD2 4.48Å; D130-F132 HydrophobicContact CB-CE2 4.42Å; D130-F132 PolarHBondContact O-N 2.07Å; F132-I134 VanDerWaalsContact C-N 3.25Å; F132-I134 PolarHBondContact O-N 3.48Å |
| 133 | W | 38.8 | Very low | 48.7 | Very low | 249 Ų | 249 | 147.7 Ų | 147.7 | 94% | 0.943 | 78% | 0.779 | S | S | * | * | | | trans | -63.9 | 94 | 165.7 | -73.3 | 83.4 | 0 | 0 | 0 | 107.4 | A131 P135 | A131-W133 PolarHBondContact O-N 2.87Å; A131-W133 VanDerWaalsContact O-N 3.11Å; W133-P135 WeakPolarHBondContact O-CD 3.49Å |
| 134 | I | 48.8 | Very low | 48.5 | Very low | 143 Ų | 143 | 147.8 Ų | 147.8 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | -78.2 | 117.5 | 166.5 | -58.6 | 173 | 0 | 0 | 0 | 105.3 | F132 E136 | F132-I134 VanDerWaalsContact C-N 3.25Å; F132-I134 PolarHBondContact O-N 3.48Å; I134-E136 PolarHBondContact O-N 3.06Å |
| 135 | P | 45.3 | Very low | 48.2 | Very low | 110 Ų | 110 | 152.9 Ų | 152.9 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | | | trans | -62.6 | 121.9 | 165 | -13.5 | 28.5 | 0 | 0 | 0 | 107.3 | W133 D137 | W133-P135 WeakPolarHBondContact O-CD 3.49Å; P135-D137 PolarHBondContact O-N 2.9Å; P135-D137 VanDerWaalsContact O-N 3.1Å |
| 136 | E | 48.2 | Very low | 47.6 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -58.5 | 114.7 | 175.1 | -161.9 | 145.9 | 100.4 | 0 | 0 | 109 | I134 T138 | I134-E136 PolarHBondContact O-N 3.06Å; E136-T138 PolarHBondContact O-N 3.38Å |
| 137 | D | 47.1 | Very low | 46.9 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | -57.3 | 123.8 | 174.2 | -85.1 | -38.5 | 0 | 0 | 0 | 109.5 | P135 E139 | P135-D137 PolarHBondContact O-N 2.9Å; P135-D137 VanDerWaalsContact O-N 3.1Å; D137-E139 PolarHBondContact O-N 2.86Å |
| 138 | T | 52.3 | Low | 46.5 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -79.3 | 116.8 | 165.7 | 25.9 | 0 | 0 | 0 | 0 | 108.4 | E136 | E136-T138 PolarHBondContact O-N 3.38Š|
| 139 | E | 45.8 | Very low | 46.1 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | 32.6 | 108.3 | 154.8 | 58.6 | 165.5 | -142.7 | 0 | 0 | 119.2 | D137 | D137-E139 PolarHBondContact O-N 2.86Š|
| 140 | G | 44.7 | Very low | 45.3 | Very low | 77 Ų | 77 | 152.2 Ų | 152.2 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -179.2 | 86.5 | 163 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 141 | Q | 49.3 | Very low | 45.1 | Very low | 194 Ų | 194 | 151 Ų | 151 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | | | trans | -46.2 | 141.7 | 171.6 | -60 | -109.8 | -50.6 | 0 | 0 | 112.5 | | |
| 142 | E | 40.4 | Very low | 45.1 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | | 174.1 | 99.4 | 121.3 | -163.4 | 165.8 | 141.2 | 0 | 0 | 113.3 | | |
| 143 | T | 39.3 | Very low | 45.4 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | | | trans | 66 | 142.6 | 152.1 | 60.2 | 0 | 0 | 0 | 0 | 122.9 | | |
| 144 | P | 48.1 | Very low | 45.3 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -87.4 | 131.2 | -176.2 | 35.3 | -30.3 | 0 | 0 | 0 | 110.9 | | |
| 145 | N | 43.6 | Very low | 45.1 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -122.2 | 110.9 | 158.3 | -141.3 | -90.6 | 0 | 0 | 0 | 109.7 | | |
| 146 | L | 43.2 | Very low | 45.2 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | trans | -55.6 | 140.4 | 172.6 | -66.2 | 159.5 | 0 | 0 | 0 | 109.7 | | |
| 147 | C | 40 | Very low | 44.9 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -46.4 | 163.5 | 176.9 | -49.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 148 | P | 45.7 | Very low | 44.6 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | | -146.6 | 140.8 | 85.7 | 33.7 | -14.5 | 0 | 0 | 0 | 115.6 | | |
| 149 | L | 48.3 | Very low | 44.2 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | | | | 42.2 | 94.5 | 123.7 | -163.9 | 66.8 | 0 | 0 | 0 | 115.4 | D151 | L149-D151 PolarHBondContact O-N 2.87Š|
| 150 | W | 42.1 | Very low | 43.9 | Very low | 221 Ų | 221 | 142.7 Ų | 142.7 | 84% | 0.837 | 79% | 0.791 | S | S | * | * | | | trans | -60.4 | 120 | 171.9 | 52.6 | -86 | 0 | 0 | 0 | 110.1 | P152 | W150-P152 HydrophobicContact CZ3-CB 4.49Š|
| 151 | D | 43.4 | Very low | 43.8 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | -95.1 | 126.5 | 168.8 | -167.1 | -0.2 | 0 | 0 | 0 | 107.6 | L149 T153 | L149-D151 PolarHBondContact O-N 2.87Å; D151-T153 PolarHBondContact O-N 2.83Å |
| 152 | P | 48.2 | Very low | 43.6 | Very low | 106 Ų | 106 | 149 Ų | 149 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -82.7 | 41.4 | -172.8 | 34.4 | -35.9 | 0 | 0 | 0 | 113.2 | W150 | W150-P152 HydrophobicContact CZ3-CB 4.49Š|
| 153 | T | 50.1 | Low | 43.8 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | trans | -137.1 | 83.6 | 176.5 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | D151 | D151-T153 PolarHBondContact O-N 2.83Š|
| 154 | G | 38.4 | Very low | 44 | Very low | 77 Ų | 77 | 151.3 Ų | 151.3 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -162.6 | 66.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 155 | S | 42.9 | Very low | 43.6 | Very low | 107 Ų | 107 | 154.4 Ų | 154.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | 6.1 | 104.6 | 154.1 | -177.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 156 | C | 47.8 | Very low | 44.3 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | | | trans | 12.8 | 111.4 | 139.1 | 44.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 157 | I | 41.3 | Very low | 44.8 | Very low | 167 Ų | 167 | 152 Ų | 152 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | trans | -148.7 | 96.1 | 133.5 | -53.7 | -175.5 | 0 | 0 | 0 | 108.6 | R159 | I157-R159 PolarHBondContact O-N 3.07Š|
| 158 | Y | 41.8 | Very low | 45.1 | Very low | 228 Ų | 228 | 155.3 Ų | 155.3 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | | | trans | -75.2 | 115 | 168.9 | -92.4 | -91.4 | 0 | 0 | 0 | 109.5 | T160 | Y158-T160 PolarHBondContact O-N 3.47Å; Y158-T160 VanDerWaalsContact O-N 3.16Å |
| 159 | R | 43.4 | Very low | 45.5 | Very low | 223 Ų | 223 | 155 Ų | 155 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | -73.3 | 102.6 | 175.4 | -166.9 | 177 | -179.2 | -169 | 2.2 | 109.2 | I157 | I157-R159 PolarHBondContact O-N 3.07Š|
| 160 | T | 40.9 | Very low | 45.6 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | | | trans | -57.6 | 130.4 | 177.8 | 1.6 | 0 | 0 | 0 | 0 | 112.2 | Y158 F162 | Y158-T160 PolarHBondContact O-N 3.47Å; Y158-T160 VanDerWaalsContact O-N 3.16Å; T160-F162 HydrophobicContact CG2-CD2 3.61Å; T160-F162 HydrophobicContact CG2-CE2 3.35Å; T160-F162 HydrophobicContact CG2-CZ 4.31Å |
| 161 | R | 41.2 | Very low | 45.8 | Very low | 228 Ų | 228 | 151.1 Ų | 151.1 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -130.5 | 95.8 | 150.9 | -67.3 | -163.9 | -163.7 | -172.8 | 7.8 | 108.2 | | |
| 162 | F | 44.7 | Very low | 45.8 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -68.4 | 132.1 | 166.5 | -79.4 | -90.9 | 0 | 0 | 0 | 109.8 | T160 | T160-F162 HydrophobicContact CG2-CD2 3.61Å; T160-F162 HydrophobicContact CG2-CE2 3.35Å; T160-F162 HydrophobicContact CG2-CZ 4.31Å |
| 163 | M | 45.8 | Very low | 45.8 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -160.8 | 70.2 | 147.3 | -106.8 | -176.6 | 81.5 | 0 | 0 | 108.1 | Y165 | M163-Y165 HydrophobicContact CE-CE2 3.94Š|
| 164 | E | 44.1 | Very low | 45.3 | Very low | 181 Ų | 181 | 154.5 Ų | 154.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -97.7 | 113.5 | 167.7 | -156.5 | 164.8 | -157.4 | 0 | 0 | 106.6 | P166 | E164-P166 WeakPolarHBondContact O-CD 3.24Š|
| 165 | Y | 39.6 | Very low | 45.2 | Very low | 185 Ų | 185 | 154.2 Ų | 154.2 | 73% | 0.725 | 79% | 0.789 | S | S | * | * | | | trans | -74.3 | 122 | 176.9 | -102.1 | -97.5 | 0 | 0 | 0 | 109.7 | M163 | M163-Y165 HydrophobicContact CE-CE2 3.94Š|
| 166 | P | 57.8 | Low | 44.8 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | -95.5 | 112 | 170.3 | 31.9 | -25.2 | 0 | 0 | 0 | 110.7 | E164 F168 | E164-P166 WeakPolarHBondContact O-CD 3.24Å; P166-F168 PolarHBondContact O-N 3.08Å |
| 167 | H | 53.1 | Low | 44.4 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | trans | -86.2 | 76.4 | 164.7 | -69.9 | -69.9 | 0 | 0 | 0 | 110.7 | | |
| 168 | F | 47.4 | Very low | 44.4 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | | | trans | -143.7 | 136.7 | 160 | -71.5 | -74.1 | 0 | 0 | 0 | 110.6 | P166 | P166-F168 PolarHBondContact O-N 3.08Š|
| 169 | P | 53.7 | Low | 44.2 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -71.9 | 156.1 | 178 | 30.3 | -33.3 | 0 | 0 | 0 | 111.7 | | |
| 170 | P | 50.5 | Low | 44 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -69.9 | 140.9 | -173.5 | 26.5 | -33.1 | 0 | 0 | 0 | 113.2 | S172 | P170-S172 PolarHBondContact O-N 3.28Å; P170-S172 VanDerWaalsContact O-N 3.07Å |
| 171 | L | 45.5 | Very low | 43.5 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | | | trans | -57.7 | 107.5 | 165.8 | -102.1 | 72.5 | 0 | 0 | 0 | 109.4 | T173 | L171-T173 PolarHBondContact O-N 2.93Å; L171-T173 VanDerWaalsContact O-N 3.11Å |
| 172 | S | 42.8 | Very low | 43.4 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -71.8 | 100.8 | 170 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | P170 F174 | P170-S172 PolarHBondContact O-N 3.28Å; P170-S172 VanDerWaalsContact O-N 3.07Å; S172-F174 PolarHBondContact O-N 3.29Å |
| 173 | T | 50 | Low | 42.9 | Very low | 136 Ų | 136 | 143 Ų | 143 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -70.8 | 111 | 155.4 | 38.2 | 0 | 0 | 0 | 0 | 107.7 | L171 | L171-T173 PolarHBondContact O-N 2.93Å; L171-T173 VanDerWaalsContact O-N 3.11Å |
| 174 | F | 38.4 | Very low | 42.5 | Very low | 184 Ų | 184 | 139 Ų | 139 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | trans | -121.2 | 103.3 | 161.4 | -169.8 | -100.6 | 0 | 0 | 0 | 108.3 | S172 | S172-F174 PolarHBondContact O-N 3.29Š|
| 175 | G | 37.3 | Very low | 42.6 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | trans | -73.7 | 134.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 176 | G | 33.3 | Very low | 42.6 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | -143.4 | 104.5 | 164 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 177 | A | 40.3 | Very low | 41.6 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -100 | 130.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 178 | E | 40.5 | Very low | 40.6 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | trans | 178.5 | 112.9 | 152.6 | 50.5 | -160.8 | 157 | 0 | 0 | 107.4 | | |
| 179 | E | 37.9 | Very low | 40.2 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | | 91.2 | 98.8 | 97.1 | -162.1 | 174.1 | 134.2 | 0 | 0 | 110.4 | | |
| 180 | E | 39.6 | Very low | 39.3 | Very low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | | | | 51.3 | 109.8 | 108.9 | -166.7 | -172.2 | 134.8 | 0 | 0 | 113.8 | | |
| 181 | V | 30.8 | Very low | 38.5 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | trans | -161.2 | 120 | 133.8 | 162.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 182 | V | 38.6 | Very low | 38 | Very low | 102 Ų | 102 | 135 Ų | 135 | 62% | 0.618 | 80% | 0.796 | S | S | * | * | | | trans | -37.1 | 135.8 | 163.5 | -165.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 183 | Q | 33.4 | Very low | 37.8 | Very low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | | 154.5 | 132.2 | 117.7 | -85.5 | -66.5 | 7.5 | 0 | 0 | 112.7 | | |
| 184 | A | 37.4 | Very low | 37.2 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | | | trans | -76.8 | 166.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 185 | P | 46.9 | Very low | 37.3 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | | -132.9 | 150.3 | 117.9 | 33.4 | -21.8 | 0 | 0 | 0 | 114.2 | | |
| 186 | Q | 40 | Very low | 37.5 | Very low | 198 Ų | 198 | 136.7 Ų | 136.7 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | | | trans | -61.1 | 147.9 | 174.1 | -74.5 | 175.1 | -14.4 | 0 | 0 | 113.5 | | |
| 187 | G | 35.3 | Very low | 38.1 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | 115.8 | 113.2 | 133.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 188 | I | 33.5 | Very low | 38.4 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | | | | 166.2 | 142.3 | 117.6 | -79.4 | 158.3 | 0 | 0 | 0 | 109 | | |
| 189 | K | 38 | Very low | 38.3 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | -71.6 | 165.9 | -173.7 | -79.5 | 177.4 | 165.2 | 177.4 | 0 | 114.4 | | |
| 190 | Q | 35 | Very low | 38.8 | Very low | 199 Ų | 199 | 137.3 Ų | 137.3 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | | | trans | 82.3 | 132.4 | 162.7 | -63.8 | 171.9 | -62.9 | 0 | 0 | 114.5 | | |
| 191 | G | 33.3 | Very low | 38.8 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | | | cis | 177 | 175.6 | 4.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 192 | S | 34.7 | Very low | 39.5 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | 59.8 | 118.9 | 168.9 | 61.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 193 | A | 39.5 | Very low | 39.7 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | -44.5 | 145.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 194 | T | 38.1 | Very low | 40.2 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | | | | -168.8 | 133.7 | 118.4 | -64.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 195 | E | 40.8 | Very low | 40.6 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 84% | 0.837 | S | S | * | * | | | trans | -62.7 | 135.2 | -173.2 | -67.7 | 167.2 | 107.9 | 0 | 0 | 113.6 | | |
| 196 | T | 41 | Very low | 40.7 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 80% | 0.798 | 84% | 0.835 | S | S | * | * | | | trans | 33.9 | 154 | 140.6 | 38.7 | 0 | 0 | 0 | 0 | 124 | | |
| 197 | P | 44.5 | Very low | 41.2 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | | | trans | -90.9 | 154.8 | -150.4 | 36.5 | -34.5 | 0 | 0 | 0 | 114.1 | G199 | P197-G199 PolarHBondContact O-N 2.88Š|
| 198 | G | 46.9 | Very low | 41.8 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 92% | 0.918 | 83% | 0.828 | S | S | * | * | | | trans | -57.1 | 120.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 199 | G | 38.4 | Very low | 42.4 | Very low | 73 Ų | 73 | 150.9 Ų | 150.9 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | | | trans | -123 | 109.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | P197 | P197-G199 PolarHBondContact O-N 2.88Š|
| 200 | R | 48.3 | Very low | 43 | Very low | 259 Ų | 259 | 151.1 Ų | 151.1 | 98% | 0.977 | 83% | 0.831 | S | S | * | * | | | trans | -69.5 | 136.2 | 166.8 | -76.8 | -178 | -85.8 | -99.3 | 0.5 | 109.1 | | |
| 201 | G | 40.1 | Very low | 44.3 | Very low | 65 Ų | 65 | 145.4 Ų | 145.4 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | | | trans | 130.8 | 111.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 202 | C | 46.6 | Very low | 45.5 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | | | trans | 80 | 68 | 140.5 | -52 | 0 | 0 | 0 | 0 | 118.4 | | |
| 203 | D | 42.6 | Very low | 46.8 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 122.5 | 151.3 | -77.5 | -44.3 | 0 | 0 | 0 | 110.5 | | |
| 204 | R | 42.8 | Very low | 47.6 | Very low | 243 Ų | 243 | 151.8 Ų | 151.8 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132 | -179.2 | -70.6 | 170.9 | 173.7 | 164.6 | -2.8 | 110.5 | R206 | R204-R206 PolarHBondContact O-N 3.38Š|
| 205 | R | 46.8 | Very low | 48 | Very low | 250 Ų | 250 | 154.2 Ų | 154.2 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59 | 123.9 | 171.6 | -64.7 | -172 | -175.5 | -120.3 | 2.9 | 109.8 | | |
| 206 | R | 47.8 | Very low | 48.6 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 127.9 | 161.5 | -174.8 | 177.7 | -80.4 | -129.6 | -1.1 | 107 | R204 D208 | R204-R206 PolarHBondContact O-N 3.38Å; R206-D208 VanDerWaalsContact C-N 3.3Å; R206-D208 PolarHBondContact O-N 2.84Å |
| 207 | A | 50.8 | Low | 48.9 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | | | trans | -75.5 | 88.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 208 | D | 48.1 | Very low | 49.1 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 68% | 0.679 | 82% | 0.821 | S | S | * | * | | | trans | -80.1 | 126.3 | 162.5 | -63.8 | -38.6 | 0 | 0 | 0 | 106.6 | R206 E210 | R206-D208 VanDerWaalsContact C-N 3.3Å; R206-D208 PolarHBondContact O-N 2.84Å; D208-E210 PolarHBondContact O-N 2.75Å; D208-E210 VanDerWaalsContact O-N 3.08Å |
| 209 | Y | 46 | Very low | 49.3 | Very low | 230 Ų | 230 | 153.5 Ų | 153.5 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | | | trans | -53.6 | 115.6 | 174.8 | -74.9 | -97.6 | 0 | 0 | 0 | 108.9 | A211 | Y209-A211 PolarHBondContact O-N 2.9Š|
| 210 | E | 50.5 | Low | 49.9 | Very low | 192 Ų | 192 | 154.5 Ų | 154.5 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | trans | -65.3 | 115.2 | 173.4 | -163 | 164.9 | -169.1 | 0 | 0 | 107.5 | D208 | D208-E210 PolarHBondContact O-N 2.75Å; D208-E210 VanDerWaalsContact O-N 3.08Å |
| 211 | A | 62.5 | Low | 50.2 | Low | 79 Ų | 79 | 147.8 Ų | 147.8 | 65% | 0.653 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y209 | Y209-A211 PolarHBondContact O-N 2.9Š|
| 212 | P | 58.3 | Low | 50.7 | Low | 109 Ų | 109 | 147.9 Ų | 147.9 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 143.3 | 174.4 | 22.8 | -30.4 | 0 | 0 | 0 | 109.1 | Q214 | P212-Q214 PolarHBondContact O-N 3.11Å; P212-Q214 VanDerWaalsContact O-N 3.11Å |
| 213 | P | 61.3 | Low | 50.9 | Low | 119 Ų | 119 | 149.9 Ų | 149.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 126.7 | 179 | 22.7 | -32 | 0 | 0 | 0 | 107.9 | E215 | P213-E215 PolarHBondContact O-N 3.01Š|
| 214 | Q | 56.8 | Low | 51.1 | Low | 188 Ų | 188 | 150.2 Ų | 150.2 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -52.1 | 110.4 | 171.4 | -70 | 173.2 | -18 | 0 | 0 | 106.3 | P212 A216 | P212-Q214 PolarHBondContact O-N 3.11Å; P212-Q214 VanDerWaalsContact O-N 3.11Å; Q214-A216 PolarHBondContact O-N 2.7Å |
| 215 | E | 47.2 | Very low | 51.3 | Low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -52.3 | 110.6 | 168.1 | -84.4 | -177.6 | 123.9 | 0 | 0 | 105.6 | P213 G217 | P213-E215 PolarHBondContact O-N 3.01Å; E215-G217 VanDerWaalsContact C-N 3.3Å; E215-G217 PolarHBondContact O-N 3.19Å |
| 216 | A | 52.3 | Low | 51.5 | Low | 95 Ų | 95 | 138.6 Ų | 138.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -54.8 | 106 | 169 | 0 | 0 | 0 | 0 | 0 | 105.2 | Q214 V218 | Q214-A216 PolarHBondContact O-N 2.7Å; A216-V218 PolarHBondContact O-N 3.16Å |
| 217 | G | 47.3 | Very low | 51.3 | Low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | trans | -48.8 | 120.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | E215 Q219 | E215-G217 VanDerWaalsContact C-N 3.3Å; E215-G217 PolarHBondContact O-N 3.19Å; G217-Q219 VanDerWaalsContact C-N 3.32Å; G217-Q219 PolarHBondContact O-N 3.09Å |
| 218 | V | 48.9 | Very low | 50.9 | Low | 145 Ų | 145 | 139.1 Ų | 139.1 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | | | trans | -57.7 | 106.1 | 161.5 | 178.7 | 0 | 0 | 0 | 0 | 105 | A216 C220 | A216-V218 PolarHBondContact O-N 3.16Å; V218-C220 VanDerWaalsContact C-N 3.31Å; V218-C220 PolarHBondContact O-N 3.16Å |
| 219 | Q | 51.1 | Low | 51 | Low | 191 Ų | 191 | 141.8 Ų | 141.8 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -61.5 | 94.7 | 176.3 | -119.2 | -179.9 | -60.5 | 0 | 0 | 107.6 | G217 S221 | G217-Q219 VanDerWaalsContact C-N 3.32Å; G217-Q219 PolarHBondContact O-N 3.09Å; Q219-S221 PolarHBondContact O-N 3.35Å; Q219-S221 VanDerWaalsContact O-N 3.16Å |
| 220 | C | 51.3 | Low | 51.1 | Low | 95 Ų | 95 | 136.4 Ų | 136.4 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | | | trans | -61.6 | 113.6 | 162.5 | -161.7 | 0 | 0 | 0 | 0 | 105.6 | V218 C222 | V218-C220 VanDerWaalsContact C-N 3.31Å; V218-C220 PolarHBondContact O-N 3.16Å; C220-C222 HydrophobicContact CB-CB 4.07Å; C220-C222 WeakPolarHBondContact CB-SG 3.31Å; C220-C222 PolarHBondContact O-N 3.28Å; C220-C222 WeakPolarHBondContact SG-CB 3.36Å; C220-C222 CovalentContact SG-SG 2.07Å; C220-C222 PolarHBondContact SG-SG 3.08Å |
| 221 | S | 55.5 | Low | 51.2 | Low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | -76 | 53.2 | 171.6 | 59.7 | 0 | 0 | 0 | 0 | 110.3 | Q219 Q223 | Q219-S221 PolarHBondContact O-N 3.35Å; Q219-S221 VanDerWaalsContact O-N 3.16Å; S221-Q223 PolarHBondContact O-N 3.2Å |
| 222 | C | 49.3 | Very low | 50.5 | Low | 68 Ų | 68 | 136 Ų | 136 | 46% | 0.459 | 76% | 0.761 | S | S | . | * | | | trans | -103.8 | 85.1 | -173.1 | -54.2 | 0 | 0 | 0 | 0 | 105.3 | C220 H224 | C220-C222 HydrophobicContact CB-CB 4.07Å; C220-C222 WeakPolarHBondContact CB-SG 3.31Å; C220-C222 PolarHBondContact O-N 3.28Å; C220-C222 WeakPolarHBondContact SG-CB 3.36Å; C220-C222 CovalentContact SG-SG 2.07Å; C220-C222 PolarHBondContact SG-SG 3.08Å; C222-H224 PolarHBondContact O-CD2 2.96Å; C222-H224 PolarHBondContact O-N 3.05Å |
| 223 | Q | 52 | Low | 49.7 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | | | trans | -62.9 | 97.3 | 176.5 | -69.5 | -169.8 | 66.6 | 0 | 0 | 108.7 | S221 H225 | S221-Q223 PolarHBondContact O-N 3.2Å; Q223-H225 PolarHBondContact O-N 3.43Å |
| 224 | H | 46.8 | Very low | 49 | Very low | 179 Ų | 179 | 140 Ų | 140 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | trans | -78.2 | 101.7 | 163.3 | -73.7 | -84.5 | 0 | 0 | 0 | 107.7 | C222 A226 | C222-H224 PolarHBondContact O-CD2 2.96Å; C222-H224 PolarHBondContact O-N 3.05Å; H224-A226 PolarHBondContact O-N 3.24Å; H224-A226 VanDerWaalsContact O-N 3.16Å |
| 225 | H | 46.6 | Very low | 48.3 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 70% | 0.704 | 77% | 0.767 | S | S | * | * | | | trans | -67.9 | 108.1 | 161.4 | -68.9 | -75.8 | 0 | 0 | 0 | 107.8 | Q223 V227 | Q223-H225 PolarHBondContact O-N 3.43Å; H225-V227 PolarHBondContact O-N 3.11Å |
| 226 | A | 51.2 | Low | 48.1 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | | | trans | -70.7 | 104.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107 | H224 W228 | H224-A226 PolarHBondContact O-N 3.24Å; H224-A226 VanDerWaalsContact O-N 3.16Å; A226-W228 PolarHBondContact O-N 3.07Å; A226-W228 VanDerWaalsContact O-N 3.09Å |
| 227 | V | 44.4 | Very low | 47.6 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -68.2 | 105.2 | 167.5 | 174.2 | 0 | 0 | 0 | 0 | 106.4 | H225 | H225-V227 PolarHBondContact O-N 3.11Š|
| 228 | W | 41.8 | Very low | 47.7 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | | | trans | -78.4 | 117.4 | 169.2 | 122.4 | -92.5 | 0 | 0 | 0 | 107.2 | A226 E230 | A226-W228 PolarHBondContact O-N 3.07Å; A226-W228 VanDerWaalsContact O-N 3.09Å; W228-E230 HydrophobicContact CD2-CB 4.24Å; W228-E230 VanDerWaalsContact CE2-CB 3.49Å; W228-E230 HydrophobicContact CH2-CB 3.87Å; W228-E230 HydrophobicContact CH2-CG 3.62Å; W228-E230 HydrophobicContact CZ2-CB 3.34Å; W228-E230 VanDerWaalsContact CZ2-CD 3.44Å; W228-E230 HydrophobicContact CZ2-CG 3.23Å; W228-E230 WeakPolarHBondContact CZ2-OE2 3.38Å; W228-E230 HydrophobicContact CZ3-CB 4.5Å; W228-E230 PolarHBondContact NE1-OE2 3.06Å; W228-E230 PolarHBondContact O-N 3.34Å |
| 229 | E | 50.6 | Low | 47.9 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -81.9 | 95.7 | 175.3 | -142.4 | -177 | 124.6 | 0 | 0 | 107.6 | A231 | E229-A231 PolarHBondContact O-N 3.29Š|
| 230 | E | 47.8 | Very low | 47.6 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 55% | 0.547 | 76% | 0.758 | S | S | . | * | | | trans | -78.8 | 101 | 168.4 | -164.1 | 172.4 | 147.3 | 0 | 0 | 108.5 | W228 Q232 | W228-E230 HydrophobicContact CD2-CB 4.24Å; W228-E230 VanDerWaalsContact CE2-CB 3.49Å; W228-E230 HydrophobicContact CH2-CB 3.87Å; W228-E230 HydrophobicContact CH2-CG 3.62Å; W228-E230 HydrophobicContact CZ2-CB 3.34Å; W228-E230 VanDerWaalsContact CZ2-CD 3.44Å; W228-E230 HydrophobicContact CZ2-CG 3.23Å; W228-E230 WeakPolarHBondContact CZ2-OE2 3.38Å; W228-E230 HydrophobicContact CZ3-CB 4.5Å; W228-E230 PolarHBondContact NE1-OE2 3.06Å; W228-E230 PolarHBondContact O-N 3.34Å; E230-Q232 PolarHBondContact O-N 3.29Å |
| 231 | A | 53.4 | Low | 47.4 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | trans | -60.9 | 105.6 | 165 | 0 | 0 | 0 | 0 | 0 | 108.9 | E229 E233 | E229-A231 PolarHBondContact O-N 3.29Å; A231-E233 PolarHBondContact O-N 3.45Å |
| 232 | Q | 46.7 | Very low | 47.2 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -76.8 | 112.7 | 170.8 | -73 | -157.4 | -13.7 | 0 | 0 | 110.4 | E230 T234 | E230-Q232 PolarHBondContact O-N 3.29Å; Q232-T234 PolarHBondContact O-N 3.42Å |
| 233 | E | 41.8 | Very low | 46.9 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | -59.8 | 119 | 172.9 | -158.5 | 172.7 | 143.1 | 0 | 0 | 110.8 | A231 | A231-E233 PolarHBondContact O-N 3.45Š|
| 234 | T | 45.8 | Very low | 46.7 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -69.4 | 124.1 | 173.7 | 42 | 0 | 0 | 0 | 0 | 112.1 | Q232 | Q232-T234 PolarHBondContact O-N 3.42Š|
| 235 | L | 42.6 | Very low | 46.8 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -149.4 | 110.3 | 148.6 | -80.7 | -176.3 | 0 | 0 | 0 | 113.3 | | |
| 236 | A | 43.3 | Very low | 46.8 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | 54.7 | 115.5 | 140 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 237 | A | 41.5 | Very low | 46.9 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | | -160.8 | 129.4 | 125 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 238 | D | 48.7 | Very low | 47.3 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -69 | 138.8 | -178.2 | 175.6 | 28.9 | 0 | 0 | 0 | 113.9 | | |
| 239 | P | 53.2 | Low | 47.4 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -105.4 | 111.3 | 156.4 | 32.7 | -24.6 | 0 | 0 | 0 | 112.5 | | |
| 240 | T | 46.6 | Very low | 47.6 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | | | trans | -49.7 | 132.7 | 162.1 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 241 | C | 46.8 | Very low | 47.3 | Very low | 116 Ų | 116 | 135 Ų | 135 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | -52.2 | 153.9 | 175.5 | -63 | 0 | 0 | 0 | 0 | 114.7 | | |
| 242 | P | 51.1 | Low | 47.2 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -128.3 | 123.8 | 134.3 | 29.3 | -15 | 0 | 0 | 0 | 114.3 | | |
| 243 | E | 41.6 | Very low | 47.6 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | | | trans | -0.5 | 118.9 | 150.3 | -150.6 | 174.3 | 105.2 | 0 | 0 | 118.8 | K245 | E243-K245 WeakPolarHBondContact OE1-CE 3.14Š|
| 244 | R | 49.2 | Very low | 48.1 | Very low | 251 Ų | 251 | 133.2 Ų | 133.2 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | | | trans | -75.4 | 117.5 | 163.9 | -76.4 | -178.6 | 160 | -166.5 | -5.2 | 110 | | |
| 245 | K | 47.9 | Very low | 48.5 | Very low | 176 Ų | 176 | 135 Ų | 135 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | | | trans | -101.3 | 113 | 162.7 | -79.7 | 174.1 | 171.9 | -176.6 | 0 | 109.6 | E243 | E243-K245 WeakPolarHBondContact OE1-CE 3.14Š|
| 246 | S | 47.8 | Very low | 49 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -70.3 | 141.9 | 163.2 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 247 | S | 53.7 | Low | 49.4 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -142.4 | 120.2 | 161 | -86.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 248 | H | 51.9 | Low | 50 | Low | 189 Ų | 189 | 138.5 Ų | 138.5 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | | | trans | -64.5 | 139.7 | 175.5 | -62.4 | -84.6 | 0 | 0 | 0 | 110.6 | | |
| 249 | G | 43.3 | Very low | 50.3 | Low | 79 Ų | 79 | 143.2 Ų | 143.2 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | | | trans | -145.6 | 92.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 250 | S | 54.5 | Low | 50.2 | Low | 128 Ų | 128 | 144.6 Ų | 144.6 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | | | trans | -61 | 141.3 | 174.9 | 40.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 251 | G | 42.9 | Very low | 50.4 | Low | 79 Ų | 79 | 145.9 Ų | 145.9 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | | | trans | -177.4 | 122.3 | 165 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 252 | S | 50.8 | Low | 50.6 | Low | 118 Ų | 118 | 147.6 Ų | 147.6 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | | | trans | -62.4 | 161.8 | -166.3 | -51 | 0 | 0 | 0 | 0 | 117.3 | | |
| 253 | P | 55.3 | Low | 50.5 | Low | 124 Ų | 124 | 149 Ų | 149 | 81% | 0.805 | 84% | 0.839 | S | S | * | * | | | trans | -80.9 | 129.2 | 174 | 32.2 | -31.2 | 0 | 0 | 0 | 111.2 | | |
| 254 | L | 51.5 | Low | 51.1 | Low | 167 Ų | 167 | 148.5 Ų | 148.5 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | | | trans | -87.3 | 111.2 | 165.8 | -142.5 | 115.9 | 0 | 0 | 0 | 107.8 | V256 | L254-V256 PolarHBondContact O-N 3.27Š|
| 255 | Q | 55.1 | Low | 51.2 | Low | 165 Ų | 165 | 141.7 Ų | 141.7 | 77% | 0.771 | 84% | 0.838 | S | S | * | * | | | trans | -63.4 | 116.5 | 170.1 | -73.3 | -180 | -32.5 | 0 | 0 | 109.4 | | |
| 256 | V | 51.8 | Low | 51.4 | Low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.715 | 84% | 0.844 | S | S | * | * | | | trans | -88.1 | 106.5 | 155.1 | 140.8 | 0 | 0 | 0 | 0 | 106 | L254 Q258 | L254-V256 PolarHBondContact O-N 3.27Å; V256-Q258 HydrophobicContact CG1-CG 4.2Å |
| 257 | N | 53.3 | Low | 51.7 | Low | 142 Ų | 142 | 142.2 Ų | 142.2 | 76% | 0.759 | 85% | 0.854 | S | S | * | * | | | trans | -86 | 124.1 | 158.6 | -84.8 | -73.9 | 0 | 0 | 0 | 106.6 | | |
| 258 | Q | 53.9 | Low | 51.6 | Low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 86% | 0.856 | S | S | * | * | | | trans | -93.9 | 122.5 | 161.1 | -69.5 | -175.7 | -1.5 | 0 | 0 | 107.5 | V256 | V256-Q258 HydrophobicContact CG1-CG 4.2Š|
| 259 | D | 54.6 | Low | 51.5 | Low | 240 Ų | 240 | 140 Ų | 140 | 100% | 1.283 | 85% | 0.854 | S | S | * | * | | | trans | -156.5 | 0 | 141 | -145.5 | -10.5 | 0 | 0 | 0 | 107.8 | | |