| 1 | M | 37.3 | Very low | 31.7 | Very low | 251 Ų | 251 | 142.6 Ų | 142.6 | 100% | 1.236 | 82% | 0.822 | S | S | * | * | | | | 0 | 92.3 | 0 | -77.8 | 159.9 | 147.3 | 0 | 0 | 105.7 | | |
| 2 | G | 31.3 | Very low | 31.5 | Very low | 69 Ų | 69 | 140.1 Ų | 140.1 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | | 78.1 | 93.4 | 69.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 3 | C | 29.7 | Very low | 31.8 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | | | | 77.5 | 136.8 | 107 | -107.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 4 | V | 33.7 | Very low | 31.6 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 59% | 0.594 | 81% | 0.813 | S | S | * | * | | | cis | -174 | 170.3 | 31.4 | -156.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 5 | Y | 30.6 | Very low | 31.9 | Very low | 206 Ų | 206 | 137.7 Ų | 137.7 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | | | trans | 83.7 | 115.9 | 150.3 | -66.5 | -64.7 | 0 | 0 | 0 | 118.7 | | |
| 6 | S | 33 | Very low | 32.1 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | | | | 74.7 | 116.6 | 63 | -173.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 7 | C | 28.7 | Very low | 32.3 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | | | | 157.8 | 115.5 | 122.6 | -85.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 8 | C | 29.1 | Very low | 32.5 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 129.5 | 164.3 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 9 | L | 34.9 | Very low | 32.7 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 127.1 | 164.7 | -83.8 | 167.1 | 0 | 0 | 0 | 108.7 | | |
| 10 | E | 30.9 | Very low | 32.6 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 161 | 176 | -163.8 | -176.8 | 172 | 0 | 0 | 109.1 | | |
| 11 | V | 29.9 | Very low | 32.8 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | trans | 83.1 | 125.4 | 160.3 | -163.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 12 | C | 29.4 | Very low | 32.6 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | cis | -167.3 | 177.7 | 19.7 | -123 | 0 | 0 | 0 | 0 | 111.4 | | |
| 13 | C | 35.6 | Very low | 33.1 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | | | trans | 100.9 | 108.3 | 168.2 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 14 | G | 28.9 | Very low | 33.4 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | cis | 111.3 | 97.7 | 26.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 15 | E | 35.2 | Very low | 33.4 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | 73.9 | 124.3 | 162.6 | -57.6 | 172.7 | -178.8 | 0 | 0 | 114 | | |
| 16 | D | 34.9 | Very low | 33.9 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | | | cis | -152.5 | 137 | 31.6 | -81 | -49.9 | 0 | 0 | 0 | 113.8 | | |
| 17 | E | 37 | Very low | 34 | Very low | 164 Ų | 164 | 145 Ų | 145 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | trans | 54.8 | 92.3 | 132.7 | -145 | 169 | -147.6 | 0 | 0 | 120.8 | V19 | E17-V19 HydrophobicContact CG-CG2 4.23Š|
| 18 | I | 35.4 | Very low | 34.6 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -128.3 | 113.2 | 139.2 | -51.8 | 178.5 | 0 | 0 | 0 | 108.5 | Y20 | I18-Y20 PolarHBondContact O-N 3.4Š|
| 19 | V | 35.2 | Very low | 35.1 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 67% | 0.673 | 80% | 0.796 | S | S | * | * | | | trans | -63.5 | 109.4 | -178.8 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | E17 | E17-V19 HydrophobicContact CG-CG2 4.23Š|
| 20 | Y | 31.4 | Very low | 34.9 | Very low | 214 Ų | 214 | 142 Ų | 142 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -90.1 | 122.4 | 157.1 | -90.1 | -89.2 | 0 | 0 | 0 | 108.9 | I18 R22 | I18-Y20 PolarHBondContact O-N 3.4Å; Y20-R22 PolarHBondContact O-N 3.23Å |
| 21 | P | 37.4 | Very low | 35.1 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | trans | -66.7 | 121.9 | 174.7 | 22.5 | -28.2 | 0 | 0 | 0 | 111.2 | | |
| 22 | R | 32.8 | Very low | 35.3 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | | | trans | -28.4 | 131.9 | 164.9 | -87.5 | 170.5 | 160.8 | 130.7 | -3.9 | 114.7 | Y20 P24 | Y20-R22 PolarHBondContact O-N 3.23Å; R22-P24 WeakPolarHBondContact O-CD 3.41Å |
| 23 | M | 41 | Very low | 35.8 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | | | trans | -78.1 | 127 | 147.9 | -72.7 | -77.9 | -72.1 | 0 | 0 | 109.8 | | |
| 24 | P | 37.5 | Very low | 36 | Very low | 117 Ų | 117 | 154 Ų | 154 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | trans | -102.1 | 119.9 | 147.4 | 30.9 | -19.1 | 0 | 0 | 0 | 107.2 | R22 | R22-P24 WeakPolarHBondContact O-CD 3.41Š|
| 25 | G | 32.7 | Very low | 36.7 | Very low | 67 Ų | 67 | 159.3 Ų | 159.3 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | | | | 93.9 | 108.3 | 72.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | S27 | G25-S27 PolarHBondContact O-N 3.24Š|
| 26 | E | 40.8 | Very low | 37.1 | Very low | 207 Ų | 207 | 159.4 Ų | 159.4 | 97% | 0.967 | 80% | 0.802 | S | S | * | * | | | trans | -50.4 | 128.4 | 176.6 | -63.8 | 170.6 | 146.1 | 0 | 0 | 111.4 | | |
| 27 | S | 34.8 | Very low | 37.3 | Very low | 103 Ų | 103 | 158.1 Ų | 158.1 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | | | trans | -157 | 99 | 159.8 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | G25 | G25-S27 PolarHBondContact O-N 3.24Š|
| 28 | T | 41.5 | Very low | 37.5 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | 30.6 | 132 | 135.4 | 66.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 29 | V | 40.1 | Very low | 37.6 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | | | trans | 85.1 | 78.8 | 160 | -162.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 30 | C | 31.1 | Very low | 37.6 | Very low | 129 Ų | 129 | 157.7 Ų | 157.7 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -88.7 | 120.9 | 148.2 | -66.4 | 0 | 0 | 0 | 0 | 108.2 | R32 | C30-R32 PolarHBondContact O-N 3.01Å; C30-R32 VanDerWaalsContact O-N 3.1Å |
| 31 | H | 33.7 | Very low | 37.9 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | -52.6 | 115.3 | 167.8 | -87.8 | -87.4 | 0 | 0 | 0 | 109.4 | E33 | H31-E33 VanDerWaalsContact C-N 3.3Å; H31-E33 PolarHBondContact O-N 3.1Å |
| 32 | R | 34.9 | Very low | 37.7 | Very low | 217 Ų | 217 | 159 Ų | 159 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | | | trans | -74.7 | 85.8 | 170.2 | -170.1 | 179.6 | -168.3 | 179.1 | 4.7 | 107.8 | C30 R34 | C30-R32 PolarHBondContact O-N 3.01Å; C30-R32 VanDerWaalsContact O-N 3.1Å; R32-R34 PolarHBondContact O-N 3.36Å; R32-R34 VanDerWaalsContact O-N 3.1Å |
| 33 | E | 40.1 | Very low | 37.9 | Very low | 178 Ų | 178 | 157.4 Ų | 157.4 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -62.4 | 111.8 | 156.9 | -75.9 | -169 | 161.4 | 0 | 0 | 106.7 | H31 E35 | H31-E33 VanDerWaalsContact C-N 3.3Å; H31-E33 PolarHBondContact O-N 3.1Å; E33-E35 VanDerWaalsContact C-N 3.29Å; E33-E35 PolarHBondContact O-N 3.1Å |
| 34 | R | 40.2 | Very low | 37.7 | Very low | 218 Ų | 218 | 155.6 Ų | 155.6 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | | | trans | -70 | 91.7 | 174.9 | -71.5 | 178.8 | 175.9 | -175.9 | -1.7 | 107.2 | R32 K36 | R32-R34 PolarHBondContact O-N 3.36Å; R32-R34 VanDerWaalsContact O-N 3.1Å; R34-K36 PolarHBondContact O-N 3.25Å |
| 35 | E | 43.7 | Very low | 37.6 | Very low | 180 Ų | 180 | 160.9 Ų | 160.9 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | trans | -57.1 | 120.2 | 155.7 | -73.3 | -176.2 | 166.4 | 0 | 0 | 107.4 | E33 | E33-E35 VanDerWaalsContact C-N 3.29Å; E33-E35 PolarHBondContact O-N 3.1Å |
| 36 | K | 42 | Very low | 37.6 | Very low | 187 Ų | 187 | 165.1 Ų | 165.1 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -61.7 | 126 | 175.5 | -65.2 | 172.4 | -178.4 | 173.7 | 0 | 106.7 | R34 I38 | R34-K36 PolarHBondContact O-N 3.25Å; K36-I38 PolarHBondContact O-N 3.35Å |
| 37 | P | 40.8 | Very low | 37.6 | Very low | 114 Ų | 114 | 161.9 Ų | 161.9 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | trans | -64.5 | 112 | 172.1 | 25.4 | -30.2 | 0 | 0 | 0 | 107.6 | T39 | P37-T39 VanDerWaalsContact C-N 3.32Å; P37-T39 PolarHBondContact O-N 3.18Å; P37-T39 PolarHBondContact O-OG1 2.95Å |
| 38 | I | 40.1 | Very low | 37.7 | Very low | 131 Ų | 131 | 159.6 Ų | 159.6 | 67% | 0.672 | 77% | 0.766 | S | S | * | * | | | trans | -62.1 | 104.1 | 165.4 | -57.1 | 172 | 0 | 0 | 0 | 104.6 | K36 Y40 | K36-I38 PolarHBondContact O-N 3.35Å; I38-Y40 HydrophobicContact CB-CE2 4.5Å; I38-Y40 HydrophobicContact CG2-CE2 4.37Å; I38-Y40 PolarHBondContact O-N 2.94Å |
| 39 | T | 37.6 | Very low | 37.7 | Very low | 104 Ų | 104 | 162.4 Ų | 162.4 | 64% | 0.638 | 77% | 0.77 | S | S | * | * | | | trans | -73 | 99.3 | 177.1 | -49.7 | 0 | 0 | 0 | 0 | 105.8 | P37 H41 | P37-T39 VanDerWaalsContact C-N 3.32Å; P37-T39 PolarHBondContact O-N 3.18Å; P37-T39 PolarHBondContact O-OG1 2.95Å; T39-H41 VanDerWaalsContact C-N 3.35Å; T39-H41 PolarHBondContact O-N 2.98Å |
| 40 | Y | 36.3 | Very low | 37.8 | Very low | 192 Ų | 192 | 163.8 Ų | 163.8 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | -65.6 | 101 | 167.4 | -72.5 | -87.3 | 0 | 0 | 0 | 107.1 | I38 W42 | I38-Y40 HydrophobicContact CB-CE2 4.5Å; I38-Y40 HydrophobicContact CG2-CE2 4.37Å; I38-Y40 PolarHBondContact O-N 2.94Å; Y40-W42 VanDerWaalsContact C-N 3.27Å; Y40-W42 PolarHBondContact O-N 3.33Å |
| 41 | H | 36.8 | Very low | 38.1 | Very low | 151 Ų | 151 | 167.9 Ų | 167.9 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | -65.7 | 96.2 | 162.2 | -89.5 | -76 | 0 | 0 | 0 | 107.3 | T39 Y43 | T39-H41 VanDerWaalsContact C-N 3.35Å; T39-H41 PolarHBondContact O-N 2.98Å; H41-Y43 HydrophobicContact CB-CE2 4.31Å; H41-Y43 PolarHBondContact O-N 3.36Å |
| 42 | W | 33.2 | Very low | 38.4 | Very low | 208 Ų | 208 | 164.6 Ų | 164.6 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | | | trans | -64.7 | 99.2 | 165.7 | -119.2 | 55.6 | 0 | 0 | 0 | 107.5 | Y40 H44 | Y40-W42 VanDerWaalsContact C-N 3.27Å; Y40-W42 PolarHBondContact O-N 3.33Å; W42-H44 AromaticContact CE3-CE1 3.73Å; W42-H44 AromaticContact CE3-ND1 4Å; W42-H44 AromaticContact CZ3-CE1 3.86Å; W42-H44 PolarHBondContact O-N 2.94Å |
| 43 | Y | 37.3 | Very low | 38.5 | Very low | 207 Ų | 207 | 165.5 Ų | 165.5 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -71.5 | 107.9 | 163.3 | -73.8 | -82.8 | 0 | 0 | 0 | 107.2 | H41 W45 | H41-Y43 HydrophobicContact CB-CE2 4.31Å; H41-Y43 PolarHBondContact O-N 3.36Å; Y43-W45 PolarHBondContact O-N 3.46Å; Y43-W45 VanDerWaalsContact O-N 3.08Å |
| 44 | H | 37.5 | Very low | 38.6 | Very low | 142 Ų | 142 | 164.4 Ų | 164.4 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | | | trans | -61.2 | 107.7 | 164.9 | -79.2 | -67.5 | 0 | 0 | 0 | 108.4 | W42 H46 | W42-H44 AromaticContact CE3-CE1 3.73Å; W42-H44 AromaticContact CE3-ND1 4Å; W42-H44 AromaticContact CZ3-CE1 3.86Å; W42-H44 PolarHBondContact O-N 2.94Å; H44-H46 PolarHBondContact O-N 2.98Å |
| 45 | W | 34.2 | Very low | 38.4 | Very low | 229 Ų | 229 | 157.9 Ų | 157.9 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | | | trans | -77.1 | 111.6 | 172 | -143.9 | -47.6 | 0 | 0 | 0 | 108 | Y43 | Y43-W45 PolarHBondContact O-N 3.46Å; Y43-W45 VanDerWaalsContact O-N 3.08Å |
| 46 | H | 33.9 | Very low | 38.3 | Very low | 156 Ų | 156 | 152.7 Ų | 152.7 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | | | trans | -84.7 | 125.6 | 170.3 | -79.1 | -77.7 | 0 | 0 | 0 | 109.5 | H44 G48 | H44-H46 PolarHBondContact O-N 2.98Å; H46-G48 PolarHBondContact O-N 3.01Å |
| 47 | P | 40 | Very low | 38.4 | Very low | 138 Ų | 138 | 151.4 Ų | 151.4 | 90% | 0.896 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 47.7 | -178.2 | 34.2 | -34.3 | 0 | 0 | 0 | 112.3 | | |
| 48 | G | 37.5 | Very low | 38.9 | Very low | 55 Ų | 55 | 152.8 Ų | 152.8 | 57% | 0.567 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | -11 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | H46 | H46-G48 PolarHBondContact O-N 3.01Š|
| 49 | H | 40.9 | Very low | 39.3 | Very low | 181 Ų | 181 | 153.4 Ų | 153.4 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | | | trans | -141.6 | 77.6 | -175.6 | -64.7 | -64.7 | 0 | 0 | 0 | 111.7 | | |
| 50 | I | 42.2 | Very low | 39.5 | Very low | 147 Ų | 147 | 158 Ų | 158 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | -132.1 | 79.5 | 157.9 | -51.3 | 177 | 0 | 0 | 0 | 106.8 | | |
| 51 | Y | 36.9 | Very low | 40 | Very low | 216 Ų | 216 | 155.4 Ų | 155.4 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | | | trans | -70.7 | 128.1 | 142.6 | -83.7 | -88.1 | 0 | 0 | 0 | 105.5 | R53 | Y51-R53 PolarHBondContact O-N 2.94Š|
| 52 | P | 40 | Very low | 40.7 | Very low | 105 Ų | 105 | 156.6 Ų | 156.6 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | | | trans | -64.5 | 97.1 | 167 | 26.8 | -28.9 | 0 | 0 | 0 | 106.2 | I54 | P52-I54 PolarHBondContact O-N 3.47Š|
| 53 | R | 36.4 | Very low | 41.6 | Very low | 237 Ų | 237 | 153.4 Ų | 153.4 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | | | trans | -62.7 | 99.2 | 151.1 | -78.6 | -173 | 179.2 | -166.9 | -0.4 | 103.9 | Y51 A55 | Y51-R53 PolarHBondContact O-N 2.94Å; R53-A55 PolarHBondContact O-N 2.98Å |
| 54 | I | 43.2 | Very low | 42.4 | Very low | 155 Ų | 155 | 150.7 Ų | 150.7 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | | | trans | -56.2 | 90.8 | 152.4 | -60.7 | 165.3 | 0 | 0 | 0 | 103.3 | P52 S56 | P52-I54 PolarHBondContact O-N 3.47Å; I54-S56 PolarHBondContact O-N 3.31Å |
| 55 | A | 35 | Very low | 42.8 | Very low | 80 Ų | 80 | 149.5 Ų | 149.5 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | | | trans | -63.5 | 103.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 102.6 | R53 M57 | R53-A55 PolarHBondContact O-N 2.98Å; A55-M57 PolarHBondContact O-N 3.46Å |
| 56 | S | 43.2 | Very low | 43.5 | Very low | 72 Ų | 72 | 147.3 Ų | 147.3 | 50% | 0.503 | 75% | 0.754 | S | S | . | * | | | trans | -37.1 | 101.5 | 148 | 38.2 | 0 | 0 | 0 | 0 | 106.7 | I54 E58 | I54-S56 PolarHBondContact O-N 3.31Å; S56-E58 WeakPolarHBondContact CB-OE2 3.39Å; S56-E58 PolarHBondContact O-N 3.06Å; S56-E58 VanDerWaalsContact O-N 3.11Å |
| 57 | M | 43.7 | Very low | 43.9 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | -83 | 46 | 164.7 | -168.3 | 136.6 | 65.8 | 0 | 0 | 107.6 | A55 Y60 | A55-M57 PolarHBondContact O-N 3.46Å; M57-Y60 HydrophobicContact CG-CD2 4.34Å; M57-Y60 HydrophobicContact SD-CE2 4.22Å |
| 58 | E | 51 | Low | 43.9 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | | | trans | -81.7 | 142.2 | 150.3 | -71.9 | 102.2 | -143.2 | 0 | 0 | 105.3 | S56 | S56-E58 WeakPolarHBondContact CB-OE2 3.39Å; S56-E58 PolarHBondContact O-N 3.06Å; S56-E58 VanDerWaalsContact O-N 3.11Å |
| 59 | D | 48.3 | Very low | 44.3 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | 89.6 | 51.9 | -172.3 | -44.9 | -17.2 | 0 | 0 | 0 | 114.8 | | |
| 60 | Y | 42.1 | Very low | 44.9 | Very low | 200 Ų | 200 | 145.3 Ų | 145.3 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | | | trans | -107 | 100.3 | 132.9 | -87.6 | -85.6 | 0 | 0 | 0 | 106.9 | M57 E62 | M57-Y60 HydrophobicContact CG-CD2 4.34Å; M57-Y60 HydrophobicContact SD-CE2 4.22Å; Y60-E62 PolarHBondContact O-N 3.22Å |
| 61 | D | 47.3 | Very low | 45.1 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -44.6 | 123.1 | 171.4 | -72.3 | -59.1 | 0 | 0 | 0 | 110.3 | D63 | D61-D63 PolarHBondContact O-N 3.11Š|
| 62 | E | 51.5 | Low | 45.7 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | trans | -67.4 | 74.8 | 165.7 | -60.9 | -167.3 | 169.8 | 0 | 0 | 108.9 | Y60 L64 | Y60-E62 PolarHBondContact O-N 3.22Å; E62-L64 PolarHBondContact O-N 3.08Å |
| 63 | D | 51.1 | Low | 46.2 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | -75 | 50.6 | 162.2 | -80 | -22.6 | 0 | 0 | 0 | 109.8 | D61 V65 | D61-D63 PolarHBondContact O-N 3.11Å; D63-V65 VanDerWaalsContact C-N 3.3Å; D63-V65 PolarHBondContact O-N 2.85Å |
| 64 | L | 53.6 | Low | 46.9 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | -84.3 | 90.5 | 148 | -73.3 | 175.4 | 0 | 0 | 0 | 105 | E62 Q66 | E62-L64 PolarHBondContact O-N 3.08Å; L64-Q66 PolarHBondContact O-N 3.37Å |
| 65 | V | 47.3 | Very low | 47.1 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | trans | -52.6 | 90.1 | 163.7 | 174.8 | 0 | 0 | 0 | 0 | 107.6 | D63 E67 | D63-V65 VanDerWaalsContact C-N 3.3Å; D63-V65 PolarHBondContact O-N 2.85Å; V65-E67 VanDerWaalsContact C-N 3.28Å; V65-E67 HydrophobicContact CG1-CG 3.85Å; V65-E67 PolarHBondContact O-N 2.86Å; V65-E67 VanDerWaalsContact O-N 3.17Å |
| 66 | Q | 48.3 | Very low | 48 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | trans | -69.1 | 97.6 | 151.4 | -76.9 | -175.6 | 2.4 | 0 | 0 | 104.2 | L64 A68 | L64-Q66 PolarHBondContact O-N 3.37Å; Q66-A68 VanDerWaalsContact C-N 3.3Å; Q66-A68 PolarHBondContact O-N 2.92Å |
| 67 | E | 42.6 | Very low | 48.9 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -56.4 | 105.2 | 162.5 | -72.8 | -165 | 157.3 | 0 | 0 | 106.6 | V65 S69 | V65-E67 VanDerWaalsContact C-N 3.28Å; V65-E67 HydrophobicContact CG1-CG 3.85Å; V65-E67 PolarHBondContact O-N 2.86Å; V65-E67 VanDerWaalsContact O-N 3.17Å; E67-S69 PolarHBondContact O-N 2.9Å |
| 68 | A | 40.7 | Very low | 49.8 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -66.2 | 81.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q66 S70 | Q66-A68 VanDerWaalsContact C-N 3.3Å; Q66-A68 PolarHBondContact O-N 2.92Å; A68-S70 VanDerWaalsContact C-N 3.27Å; A68-S70 PolarHBondContact O-N 2.96Å; A68-S70 VanDerWaalsContact O-N 3.15Å |
| 69 | S | 44.7 | Very low | 50.9 | Low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | -70.1 | 94.8 | 151.3 | 166.8 | 0 | 0 | 0 | 0 | 106.1 | E67 E71 | E67-S69 PolarHBondContact O-N 2.9Å; S69-E71 VanDerWaalsContact C-N 3.32Å; S69-E71 PolarHBondContact O-N 2.97Å |
| 70 | S | 53 | Low | 52.4 | Low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | -61.1 | 91.7 | 171.4 | 57.9 | 0 | 0 | 0 | 0 | 110 | A68 | A68-S70 VanDerWaalsContact C-N 3.27Å; A68-S70 PolarHBondContact O-N 2.96Å; A68-S70 VanDerWaalsContact O-N 3.15Å |
| 71 | E | 47.1 | Very low | 54.1 | Low | 154 Ų | 154 | 135.1 Ų | 135.1 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | | | trans | -151.4 | 106.3 | 155.4 | -160.2 | 80.5 | -150.6 | 0 | 0 | 105.1 | S69 V73 | S69-E71 VanDerWaalsContact C-N 3.32Å; S69-E71 PolarHBondContact O-N 2.97Å; E71-V73 HydrophobicContact CB-CG2 4.42Å; E71-V73 HydrophobicContact CG-CG2 3.97Å; E71-V73 PolarHBondContact O-N 3.32Å |
| 72 | D | 48.8 | Very low | 55.7 | Low | 180 Ų | 180 | 132.9 Ų | 132.9 | 96% | 0.963 | 73% | 0.729 | S | S | * | * | | | trans | -60.9 | 82.2 | 171.2 | -91.2 | -36 | 0 | 0 | 0 | 108.8 | | |
| 73 | V | 50.7 | Low | 57.1 | Low | 110 Ų | 110 | 127.7 Ų | 127.7 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | | | trans | -105.8 | 119.7 | 162.6 | -175.9 | 0 | 0 | 0 | 0 | 104.8 | E71 G75 | E71-V73 HydrophobicContact CB-CG2 4.42Å; E71-V73 HydrophobicContact CG-CG2 3.97Å; E71-V73 PolarHBondContact O-N 3.32Å; V73-G75 PolarHBondContact O-N 3.02Å |
| 74 | L | 52.4 | Low | 58.5 | Low | 184 Ų | 184 | 126.2 Ų | 126.2 | 96% | 0.963 | 70% | 0.698 | S | S | * | * | | | trans | -61.7 | 67.8 | 167.4 | -70.8 | 168.3 | 0 | 0 | 0 | 109.3 | V76 | L74-V76 PolarHBondContact O-N 2.8Š|
| 75 | G | 47.5 | Very low | 59.8 | Low | 57 Ų | 57 | 126.2 Ų | 126.2 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | | | trans | -86.6 | 106.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | V73 H77 | V73-G75 PolarHBondContact O-N 3.02Å; G75-H77 PolarHBondContact O-N 2.99Å |
| 76 | V | 54 | Low | 61.8 | Low | 123 Ų | 123 | 123.4 Ų | 123.4 | 75% | 0.745 | 67% | 0.668 | S | S | * | * | | | trans | -47.4 | 110 | 164.6 | 177.5 | 0 | 0 | 0 | 0 | 106.9 | L74 M78 | L74-V76 PolarHBondContact O-N 2.8Å; V76-M78 HydrophobicContact CG1-CG 4.37Å; V76-M78 PolarHBondContact O-N 2.83Å |
| 77 | H | 60.6 | Low | 63.8 | Low | 161 Ų | 161 | 119.6 Ų | 119.6 | 75% | 0.745 | 65% | 0.653 | S | S | * | * | | | trans | -67 | 91.4 | 175.4 | -177.7 | -72.6 | 0 | 0 | 0 | 107 | G75 V79 | G75-H77 PolarHBondContact O-N 2.99Å; H77-V79 VanDerWaalsContact C-N 3.26Å; H77-V79 VanDerWaalsContact ND1-CG2 3.26Å; H77-V79 WeakPolarHBondContact ND1-CG2 3.42Å; H77-V79 PolarHBondContact O-N 3.07Å |
| 78 | M | 64.3 | Low | 66.1 | Low | 172 Ų | 172 | 114.9 Ų | 114.9 | 85% | 0.847 | 63% | 0.631 | S | S | * | * | | | trans | -69 | 90.2 | 174.4 | -65.3 | -107.1 | -68.5 | 0 | 0 | 106.8 | V76 D80 | V76-M78 HydrophobicContact CG1-CG 4.37Å; V76-M78 PolarHBondContact O-N 2.83Å; M78-D80 PolarHBondContact O-N 3.27Å |
| 79 | V | 72.6 | Confident | 68.5 | Low | 66 Ų | 66 | 115.2 Ų | 115.2 | 40% | 0.4 | 62% | 0.617 | S | S | . | * | | | trans | -62.2 | 125.4 | 165.7 | 179.4 | 0 | 0 | 0 | 0 | 106.2 | H77 K81 T83 E84 | H77-V79 VanDerWaalsContact C-N 3.26Å; H77-V79 VanDerWaalsContact ND1-CG2 3.26Å; H77-V79 WeakPolarHBondContact ND1-CG2 3.42Å; H77-V79 PolarHBondContact O-N 3.07Å; V79-K81 PolarHBondContact O-N 3.14Å; V79-T83 HydrophobicContact CG1-CG2 4.08Å; V79-E84 HydrophobicContact CG1-CB 4.36Å |
| 80 | D | 79.8 | Confident | 70.8 | Confident | 92 Ų | 92 | 115.9 Ų | 115.9 | 49% | 0.492 | 61% | 0.607 | S | S | . | * | | | trans | -56.6 | 134.2 | 175.1 | 175.5 | 50.8 | 0 | 0 | 0 | 109.9 | M78 D82 T83 E84 | M78-D80 PolarHBondContact O-N 3.27Å; D80-D82 PolarHBondContact O-N 3.49Å; D80-D82 WeakPolarHBondContact OD2-CB 3.48Å; D80-T83 WeakPolarHBondContact O-CA 3.46Å; D80-T83 WeakPolarHBondContact O-CB 3.49Å; D80-T83 PolarHBondContact O-N 3.16Å; D80-E84 PolarHBondContact O-N 3.35Å; D80-E84 VanDerWaalsContact O-N 3.15Å |
| 81 | K | 79.3 | Confident | 72.7 | Confident | 147 Ų | 147 | 117.3 Ų | 117.3 | 64% | 0.639 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55 | -31.6 | -174.4 | -78.4 | -81.1 | -178.2 | -175.6 | 0 | 112.1 | V79 R85 | V79-K81 PolarHBondContact O-N 3.14Å; K81-R85 PolarHBondContact O-N 3.49Å; K81-R85 VanDerWaalsContact O-N 3.15Å |
| 82 | D | 80.9 | Confident | 74.9 | Confident | 90 Ų | 90 | 113.3 Ų | 113.3 | 48% | 0.481 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74 | -29.6 | 178.5 | -62.8 | -27 | 0 | 0 | 0 | 112.5 | D80 R85 D86 | D80-D82 PolarHBondContact O-N 3.49Å; D80-D82 WeakPolarHBondContact OD2-CB 3.48Å; D82-R85 IonicContact OD1-CZ 3.39Å; D82-R85 IonicContact OD1-NH1 2.7Å; D82-R85 PolarHBondContact OD1-NH1 3.41Å; D82-R85 IonicContact OD1-NH2 3.15Å; D82-R85 PolarHBondContact OD1-NH2 2.97Å; D82-R85 VanDerWaalsContact OD1-NH2 3.15Å; D82-D86 WeakPolarHBondContact O-CB 3.34Å; D82-D86 PolarHBondContact O-N 3.44Å |
| 83 | T | 80.2 | Confident | 77 | Confident | 67 Ų | 67 | 108.9 Ų | 108.9 | 41% | 0.411 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.8 | -41.4 | 175.2 | -56 | 0 | 0 | 0 | 0 | 111.1 | V79 D80 R85 D86 I87 | V79-T83 HydrophobicContact CG1-CG2 4.08Å; D80-T83 WeakPolarHBondContact O-CA 3.46Å; D80-T83 WeakPolarHBondContact O-CB 3.49Å; D80-T83 PolarHBondContact O-N 3.16Å; T83-R85 VanDerWaalsContact C-N 3.32Å; T83-R85 PolarHBondContact O-N 2.92Å; T83-D86 PolarHBondContact O-N 2.95Å; T83-I87 HydrophobicContact CG2-CD1 4.06Å; T83-I87 VanDerWaalsContact O-CG1 3.27Å; T83-I87 WeakPolarHBondContact O-CG1 3.43Å; T83-I87 PolarHBondContact O-N 3.02Å |
| 84 | E | 81 | Confident | 79 | Confident | 111 Ų | 111 | 112 Ų | 112 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.9 | -44.7 | 173.8 | -172.1 | -179.8 | -172.6 | 0 | 0 | 111 | V79 D80 I87 E88 | V79-E84 HydrophobicContact CG1-CB 4.36Å; D80-E84 PolarHBondContact O-N 3.35Å; D80-E84 VanDerWaalsContact O-N 3.15Å; E84-I87 PolarHBondContact O-N 3.16Å; E84-E88 PolarHBondContact O-N 3.42Å; E84-E88 VanDerWaalsContact O-N 3.1Å |
| 85 | R | 80.2 | Confident | 81 | Confident | 149 Ų | 149 | 108.3 Ų | 108.3 | 56% | 0.562 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | 177.8 | -161.2 | -171.7 | -52.4 | 106.4 | 3.3 | 112.9 | K81 D82 T83 E88 M89 | K81-R85 PolarHBondContact O-N 3.49Å; K81-R85 VanDerWaalsContact O-N 3.15Å; D82-R85 IonicContact OD1-CZ 3.39Å; D82-R85 IonicContact OD1-NH1 2.7Å; D82-R85 PolarHBondContact OD1-NH1 3.41Å; D82-R85 IonicContact OD1-NH2 3.15Å; D82-R85 PolarHBondContact OD1-NH2 2.97Å; D82-R85 VanDerWaalsContact OD1-NH2 3.15Å; T83-R85 VanDerWaalsContact C-N 3.32Å; T83-R85 PolarHBondContact O-N 2.92Å; R85-E88 PolarHBondContact O-N 3.48Å; R85-M89 WeakPolarHBondContact O-CB 3.44Å; R85-M89 PolarHBondContact O-N 3.35Å |
| 86 | D | 88.9 | Confident | 83.2 | Confident | 59 Ų | 59 | 109.4 Ų | 109.4 | 32% | 0.316 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 177.6 | 177.5 | 61.9 | 0 | 0 | 0 | 112.1 | D82 T83 K90 | D82-D86 WeakPolarHBondContact O-CB 3.34Å; D82-D86 PolarHBondContact O-N 3.44Å; T83-D86 PolarHBondContact O-N 2.95Å; D86-K90 WeakPolarHBondContact O-CB 3.37Å; D86-K90 VanDerWaalsContact O-CG 3.28Å; D86-K90 WeakPolarHBondContact O-CG 3.31Å; D86-K90 PolarHBondContact O-N 3.22Å; D86-K90 WeakPolarHBondContact OD1-CE 3.42Å; D86-K90 IonicContact OD1-NZ 3.61Å; D86-K90 VanDerWaalsContact OD2-CE 3.23Å; D86-K90 WeakPolarHBondContact OD2-CE 3.43Å; D86-K90 IonicContact OD2-NZ 2.63Å; D86-K90 PolarHBondContact OD2-NZ 3.41Å |
| 87 | I | 89.9 | Confident | 85 | Confident | 102 Ų | 102 | 111.5 Ų | 111.5 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 175.8 | -68.7 | 166.1 | 0 | 0 | 0 | 110.4 | T83 E84 K90 R91 | T83-I87 HydrophobicContact CG2-CD1 4.06Å; T83-I87 VanDerWaalsContact O-CG1 3.27Å; T83-I87 WeakPolarHBondContact O-CG1 3.43Å; T83-I87 PolarHBondContact O-N 3.02Å; E84-I87 PolarHBondContact O-N 3.16Å; I87-K90 PolarHBondContact O-N 3.16Å; I87-R91 PolarHBondContact O-N 3.43Å |
| 88 | E | 91.9 | Very high | 86.5 | Confident | 75 Ų | 75 | 109.2 Ų | 109.2 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 179.3 | -172.9 | 54.4 | -146.3 | 0 | 0 | 111.5 | E84 R85 K90 R91 Q92 | E84-E88 PolarHBondContact O-N 3.42Å; E84-E88 VanDerWaalsContact O-N 3.1Å; R85-E88 PolarHBondContact O-N 3.48Å; E88-K90 VanDerWaalsContact C-N 3.31Å; E88-K90 PolarHBondContact O-N 2.98Å; E88-R91 VanDerWaalsContact O-CB 3.32Å; E88-R91 WeakPolarHBondContact O-CB 3.46Å; E88-R91 PolarHBondContact O-N 3.46Å; E88-R91 IonicContact OE2-NH1 3.81Å; E88-Q92 WeakPolarHBondContact O-CG 3.47Å; E88-Q92 PolarHBondContact O-N 3.31Å; E88-Q92 PolarHBondContact OE1-NE2 2.99Å |
| 89 | M | 91.6 | Very high | 87.9 | Confident | 105 Ų | 105 | 105.4 Ų | 105.4 | 52% | 0.517 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.1 | -42.8 | 175.1 | -175.9 | -174 | 67.2 | 0 | 0 | 111.9 | R85 R91 Q92 L93 | R85-M89 WeakPolarHBondContact O-CB 3.44Å; R85-M89 PolarHBondContact O-N 3.35Å; M89-R91 VanDerWaalsContact C-N 3.32Å; M89-R91 PolarHBondContact O-N 3.47Å; M89-Q92 PolarHBondContact O-N 3.39Å; M89-L93 WeakPolarHBondContact O-CB 3.35Å; M89-L93 PolarHBondContact O-N 3.12Å |
| 90 | K | 91.3 | Very high | 88.9 | Confident | 120 Ų | 120 | 108.6 Ų | 108.6 | 52% | 0.522 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 176.2 | -76.5 | 169.3 | 178.4 | 165.9 | 0 | 112.3 | D86 I87 E88 R94 | D86-K90 WeakPolarHBondContact O-CB 3.37Å; D86-K90 VanDerWaalsContact O-CG 3.28Å; D86-K90 WeakPolarHBondContact O-CG 3.31Å; D86-K90 PolarHBondContact O-N 3.22Å; D86-K90 WeakPolarHBondContact OD1-CE 3.42Å; D86-K90 IonicContact OD1-NZ 3.61Å; D86-K90 VanDerWaalsContact OD2-CE 3.23Å; D86-K90 WeakPolarHBondContact OD2-CE 3.43Å; D86-K90 IonicContact OD2-NZ 2.63Å; D86-K90 PolarHBondContact OD2-NZ 3.41Å; I87-K90 PolarHBondContact O-N 3.16Å; E88-K90 VanDerWaalsContact C-N 3.31Å; E88-K90 PolarHBondContact O-N 2.98Å; K90-R94 PolarHBondContact O-N 3.26Å |
| 91 | R | 93.7 | Very high | 89.4 | Confident | 139 Ų | 139 | 110 Ų | 110 | 53% | 0.525 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 175.3 | -169.5 | -175.9 | -172.2 | -175.9 | 3.9 | 111.1 | I87 E88 M89 R94 R95 | I87-R91 PolarHBondContact O-N 3.43Å; E88-R91 VanDerWaalsContact O-CB 3.32Å; E88-R91 WeakPolarHBondContact O-CB 3.46Å; E88-R91 PolarHBondContact O-N 3.46Å; E88-R91 IonicContact OE2-NH1 3.81Å; M89-R91 VanDerWaalsContact C-N 3.32Å; M89-R91 PolarHBondContact O-N 3.47Å; R91-R94 WeakPolarHBondContact O-CB 3.43Å; R91-R94 PolarHBondContact O-N 3.41Å; R91-R95 PolarHBondContact O-N 3.31Å; R91-R95 VanDerWaalsContact O-N 3.1Å |
| 92 | Q | 93.1 | Very high | 89.9 | Confident | 71 Ų | 71 | 109.8 Ų | 109.8 | 33% | 0.332 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 177.1 | -64.2 | -62.5 | -16.3 | 0 | 0 | 111.7 | E88 M89 R94 R95 L96 | E88-Q92 WeakPolarHBondContact O-CG 3.47Å; E88-Q92 PolarHBondContact O-N 3.31Å; E88-Q92 PolarHBondContact OE1-NE2 2.99Å; M89-Q92 PolarHBondContact O-N 3.39Å; Q92-R94 VanDerWaalsContact C-N 3.28Å; Q92-R94 PolarHBondContact O-N 3.11Å; Q92-R95 WeakPolarHBondContact O-CB 3.47Å; Q92-R95 PolarHBondContact O-N 3.23Å; Q92-L96 PolarHBondContact O-N 3.46Å |
| 93 | L | 93.8 | Very high | 90.3 | Very high | 87 Ų | 87 | 107 Ų | 107 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 175.6 | -175.1 | 63.2 | 0 | 0 | 0 | 112.5 | M89 R97 | M89-L93 WeakPolarHBondContact O-CB 3.35Å; M89-L93 PolarHBondContact O-N 3.12Å; L93-R97 WeakPolarHBondContact O-CG 3.48Å; L93-R97 PolarHBondContact O-N 3.36Å; L93-R97 VanDerWaalsContact O-N 3.14Å |
| 94 | R | 93 | Very high | 90.7 | Very high | 176 Ų | 176 | 107.4 Ų | 107.4 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.7 | -47 | 174.5 | -171.4 | -175.7 | -66 | -173.2 | -0.8 | 111.1 | K90 R91 Q92 L96 R97 E98 | K90-R94 PolarHBondContact O-N 3.26Å; R91-R94 WeakPolarHBondContact O-CB 3.43Å; R91-R94 PolarHBondContact O-N 3.41Å; Q92-R94 VanDerWaalsContact C-N 3.28Å; Q92-R94 PolarHBondContact O-N 3.11Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 3.47Å; R94-R97 WeakPolarHBondContact O-CB 3.39Å; R94-R97 PolarHBondContact O-N 3.36Å; R94-E98 PolarHBondContact O-N 3.49Å |
| 95 | R | 93.5 | Very high | 91.1 | Very high | 106 Ų | 106 | 108.9 Ų | 108.9 | 40% | 0.4 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 176.5 | -71.6 | 175.5 | 172.4 | 168.1 | -5 | 112.1 | R91 Q92 R97 E98 L99 | R91-R95 PolarHBondContact O-N 3.31Å; R91-R95 VanDerWaalsContact O-N 3.1Å; Q92-R95 WeakPolarHBondContact O-CB 3.47Å; Q92-R95 PolarHBondContact O-N 3.23Å; R95-R97 VanDerWaalsContact C-N 3.32Å; R95-R97 PolarHBondContact O-N 3.44Å; R95-E98 PolarHBondContact O-N 3.45Å; R95-L99 WeakPolarHBondContact O-CG 3.34Å; R95-L99 PolarHBondContact O-N 3.27Å |
| 96 | L | 94.7 | Very high | 91.4 | Very high | 80 Ų | 80 | 106.1 Ų | 106.1 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 177.9 | -174.9 | 64.3 | 0 | 0 | 0 | 112 | Q92 R94 L99 H100 I224 | Q92-L96 PolarHBondContact O-N 3.46Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 3.47Å; L96-L99 PolarHBondContact O-N 3.32Å; L96-H100 WeakPolarHBondContact O-CB 3.47Å; L96-H100 PolarHBondContact O-N 2.79Å; L96-I224 HydrophobicContact CD1-CG1 4.32Å |
| 97 | R | 91.6 | Very high | 91.2 | Very high | 166 Ų | 166 | 109.1 Ų | 109.1 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.4 | -44 | 175.9 | -73.5 | 174.4 | -177.9 | -130.6 | -1.6 | 112 | L93 R94 R95 H100 L101 | L93-R97 WeakPolarHBondContact O-CG 3.48Å; L93-R97 PolarHBondContact O-N 3.36Å; L93-R97 VanDerWaalsContact O-N 3.14Å; R94-R97 WeakPolarHBondContact O-CB 3.39Å; R94-R97 PolarHBondContact O-N 3.36Å; R95-R97 VanDerWaalsContact C-N 3.32Å; R95-R97 PolarHBondContact O-N 3.44Å; R97-H100 PolarHBondContact O-N 2.8Å; R97-L101 WeakPolarHBondContact O-CB 3.31Å; R97-L101 WeakPolarHBondContact O-CD1 3.5Å; R97-L101 WeakPolarHBondContact O-CG 3.39Å; R97-L101 PolarHBondContact O-N 2.92Å |
| 98 | E | 92 | Very high | 90.8 | Very high | 114 Ų | 114 | 111.4 Ų | 111.4 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 177.4 | -74.4 | 170.5 | -167.3 | 0 | 0 | 111.5 | R94 R95 L101 Y102 | R94-E98 PolarHBondContact O-N 3.49Å; R95-E98 PolarHBondContact O-N 3.45Å; E98-L101 PolarHBondContact O-N 3.48Å; E98-Y102 WeakPolarHBondContact O-CB 3.38Å; E98-Y102 PolarHBondContact O-N 2.92Å |
| 99 | L | 94.1 | Very high | 90.2 | Very high | 92 Ų | 92 | 111 Ų | 111 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.5 | -73.2 | 171.4 | 0 | 0 | 0 | 112.3 | R95 L96 Y102 S103 | R95-L99 WeakPolarHBondContact O-CG 3.34Å; R95-L99 PolarHBondContact O-N 3.27Å; L96-L99 PolarHBondContact O-N 3.32Å; L99-Y102 PolarHBondContact O-N 3.48Å; L99-S103 WeakPolarHBondContact O-CB 3.44Å; L99-S103 PolarHBondContact O-N 3.28Å |
| 100 | H | 91.7 | Very high | 89.6 | Confident | 133 Ų | 133 | 110.9 Ų | 110.9 | 62% | 0.616 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 177.9 | -176.2 | 75.1 | 0 | 0 | 0 | 112.4 | L96 R97 Y102 S103 T104 | L96-H100 WeakPolarHBondContact O-CB 3.47Å; L96-H100 PolarHBondContact O-N 2.79Å; R97-H100 PolarHBondContact O-N 2.8Å; H100-Y102 VanDerWaalsContact C-N 3.35Å; H100-S103 PolarHBondContact O-N 2.93Å; H100-T104 WeakPolarHBondContact O-CB 3.45Å; H100-T104 PolarHBondContact O-N 3.42Å; H100-T104 PolarHBondContact O-OG1 3.49Å |
| 101 | L | 91.3 | Very high | 88.9 | Confident | 120 Ų | 120 | 107.6 Ų | 107.6 | 63% | 0.628 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 174 | -80.3 | 156.7 | 0 | 0 | 0 | 111.2 | R97 E98 T104 W105 | R97-L101 WeakPolarHBondContact O-CB 3.31Å; R97-L101 WeakPolarHBondContact O-CD1 3.5Å; R97-L101 WeakPolarHBondContact O-CG 3.39Å; R97-L101 PolarHBondContact O-N 2.92Å; E98-L101 PolarHBondContact O-N 3.48Å; L101-T104 PolarHBondContact O-N 3.33Å; L101-W105 WeakPolarHBondContact O-CB 3.34Å; L101-W105 PolarHBondContact O-N 2.98Å |
| 102 | Y | 89.6 | Confident | 87.7 | Confident | 143 Ų | 143 | 105 Ų | 105 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.2 | -44.5 | 178 | -177.3 | -103.1 | 0 | 0 | 0 | 112.5 | E98 L99 H100 T104 W105 K106 | E98-Y102 WeakPolarHBondContact O-CB 3.38Å; E98-Y102 PolarHBondContact O-N 2.92Å; L99-Y102 PolarHBondContact O-N 3.48Å; H100-Y102 VanDerWaalsContact C-N 3.35Å; Y102-T104 PolarHBondContact O-N 3.48Å; Y102-W105 HydrophobicContact CD2-CE3 4.29Å; Y102-W105 HydrophobicContact CE2-CE3 4.18Å; Y102-W105 HydrophobicContact CE2-CZ3 4.14Å; Y102-W105 PolarHBondContact O-N 2.87Å; Y102-K106 WeakPolarHBondContact O-CB 3.39Å; Y102-K106 PolarHBondContact O-N 2.9Å |
| 103 | S | 88.9 | Confident | 86.8 | Confident | 33 Ų | 33 | 108.2 Ų | 108.2 | 23% | 0.231 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 176.5 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | L99 H100 W105 K106 K107 | L99-S103 WeakPolarHBondContact O-CB 3.44Å; L99-S103 PolarHBondContact O-N 3.28Å; H100-S103 PolarHBondContact O-N 2.93Å; S103-W105 PolarHBondContact O-N 3Å; S103-K106 PolarHBondContact O-N 2.87Å; S103-K107 WeakPolarHBondContact O-CG 3.42Å; S103-K107 PolarHBondContact O-N 2.97Å |
| 104 | T | 88.2 | Confident | 85.6 | Confident | 74 Ų | 74 | 109.5 Ų | 109.5 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | H100 L101 Y102 K107 Y108 | H100-T104 WeakPolarHBondContact O-CB 3.45Å; H100-T104 PolarHBondContact O-N 3.42Å; H100-T104 PolarHBondContact O-OG1 3.49Å; L101-T104 PolarHBondContact O-N 3.33Å; Y102-T104 PolarHBondContact O-N 3.48Å; T104-K107 PolarHBondContact O-N 3.31Å; T104-Y108 PolarHBondContact O-N 2.95Å |
| 105 | W | 90.6 | Very high | 84 | Confident | 142 Ų | 142 | 105.6 Ų | 105.6 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.6 | 177.8 | 76.5 | 0 | 0 | 0 | 112.1 | L101 Y102 S103 K107 Y108 Q109 | L101-W105 WeakPolarHBondContact O-CB 3.34Å; L101-W105 PolarHBondContact O-N 2.98Å; Y102-W105 HydrophobicContact CD2-CE3 4.29Å; Y102-W105 HydrophobicContact CE2-CE3 4.18Å; Y102-W105 HydrophobicContact CE2-CZ3 4.14Å; Y102-W105 PolarHBondContact O-N 2.87Å; S103-W105 PolarHBondContact O-N 3Å; W105-K107 PolarHBondContact O-N 3.47Å; W105-Y108 WeakPolarHBondContact O-CB 3.48Å; W105-Y108 PolarHBondContact O-N 3.46Å; W105-Q109 PolarHBondContact O-N 3Å |
| 106 | K | 86.6 | Confident | 82.2 | Confident | 91 Ų | 91 | 107.5 Ų | 107.5 | 40% | 0.396 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 177.1 | -171 | 179.6 | 177.9 | -171.9 | 0 | 111.7 | Y102 S103 Y108 Q109 E110 | Y102-K106 WeakPolarHBondContact O-CB 3.39Å; Y102-K106 PolarHBondContact O-N 2.9Å; S103-K106 PolarHBondContact O-N 2.87Å; K106-Y108 VanDerWaalsContact C-N 3.31Å; K106-Y108 PolarHBondContact O-N 3.34Å; K106-Q109 WeakPolarHBondContact O-CB 2.95Å; K106-Q109 PolarHBondContact O-N 3.28Å; K106-Q109 VanDerWaalsContact O-N 3.16Å; K106-E110 PolarHBondContact O-N 3.32Å |
| 107 | K | 84.8 | Confident | 79.6 | Confident | 122 Ų | 122 | 106.5 Ų | 106.5 | 53% | 0.53 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 175.3 | -72.2 | 178.5 | -177 | 179.9 | 0 | 112 | S103 T104 W105 E110 A111 | S103-K107 WeakPolarHBondContact O-CG 3.42Å; S103-K107 PolarHBondContact O-N 2.97Å; T104-K107 PolarHBondContact O-N 3.31Å; W105-K107 PolarHBondContact O-N 3.47Å; K107-E110 PolarHBondContact O-N 3.24Å; K107-A111 WeakPolarHBondContact O-CB 3.14Å; K107-A111 PolarHBondContact O-N 2.85Å |
| 108 | Y | 80.3 | Confident | 77.5 | Confident | 150 Ų | 150 | 104.2 Ų | 104.2 | 59% | 0.588 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.4 | -40.1 | 175.7 | -169 | -102.1 | 0 | 0 | 0 | 112.1 | T104 W105 K106 E110 A111 M112 | T104-Y108 PolarHBondContact O-N 2.95Å; W105-Y108 WeakPolarHBondContact O-CB 3.48Å; W105-Y108 PolarHBondContact O-N 3.46Å; K106-Y108 VanDerWaalsContact C-N 3.31Å; K106-Y108 PolarHBondContact O-N 3.34Å; Y108-E110 VanDerWaalsContact C-N 3.35Å; Y108-E110 PolarHBondContact O-N 3.31Å; Y108-A111 PolarHBondContact O-N 3.4Å; Y108-M112 HydrophobicContact CD1-CE 3.49Å; Y108-M112 VanDerWaalsContact CD1-CE 3.49Å; Y108-M112 HydrophobicContact CD1-CG 4.26Å; Y108-M112 HydrophobicContact CD1-SD 3.97Å; Y108-M112 HydrophobicContact CE1-CE 3.51Å; Y108-M112 HydrophobicContact CE1-CG 3.94Å; Y108-M112 HydrophobicContact CE1-SD 3.39Å; Y108-M112 WeakPolarHBondContact CE1-SD 3.44Å; Y108-M112 WeakPolarHBondContact O-CG 3.28Å; Y108-M112 PolarHBondContact O-N 3.04Å |
| 109 | Q | 80.6 | Confident | 75.1 | Confident | 68 Ų | 68 | 104.3 Ų | 104.3 | 32% | 0.318 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 176.8 | -163.2 | -174.8 | 3 | 0 | 0 | 112.1 | W105 K106 M112 K113 | W105-Q109 PolarHBondContact O-N 3Å; K106-Q109 WeakPolarHBondContact O-CB 2.95Å; K106-Q109 PolarHBondContact O-N 3.28Å; K106-Q109 VanDerWaalsContact O-N 3.16Å; Q109-M112 PolarHBondContact O-N 3.14Å; Q109-K113 WeakPolarHBondContact O-CG 3.35Å; Q109-K113 PolarHBondContact O-N 3.42Å; Q109-K113 VanDerWaalsContact O-N 3.16Å |
| 110 | E | 78.9 | Confident | 72.5 | Confident | 102 Ų | 102 | 108.4 Ų | 108.4 | 48% | 0.477 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.7 | -41.4 | 174.9 | -72 | 177.6 | -174.2 | 0 | 0 | 112 | K106 K107 Y108 M112 K113 T114 | K106-E110 PolarHBondContact O-N 3.32Å; K107-E110 PolarHBondContact O-N 3.24Å; Y108-E110 VanDerWaalsContact C-N 3.35Å; Y108-E110 PolarHBondContact O-N 3.31Å; E110-M112 VanDerWaalsContact C-N 3.32Å; E110-M112 PolarHBondContact O-N 3.42Å; E110-K113 PolarHBondContact O-N 2.93Å; E110-K113 VanDerWaalsContact O-N 3.16Å; E110-T114 PolarHBondContact O-N 3.11Å; E110-T114 VanDerWaalsContact O-N 3.12Å; E110-T114 PolarHBondContact O-OG1 3.06Å |
| 111 | A | 75.7 | Confident | 69.8 | Low | 51 Ų | 51 | 107.7 Ų | 107.7 | 42% | 0.421 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.7 | -35 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K107 Y108 T114 S115 | K107-A111 WeakPolarHBondContact O-CB 3.14Å; K107-A111 PolarHBondContact O-N 2.85Å; Y108-A111 PolarHBondContact O-N 3.4Å; A111-T114 PolarHBondContact O-OG1 3.4Å; A111-T114 VanDerWaalsContact O-OG1 3.07Å; A111-S115 WeakPolarHBondContact O-CB 3.23Å; A111-S115 PolarHBondContact O-N 3.2Å; A111-S115 VanDerWaalsContact O-N 3.14Å; A111-S115 PolarHBondContact O-OG 3.33Å |
| 112 | M | 68.8 | Low | 67.3 | Low | 84 Ų | 84 | 110.8 Ų | 110.8 | 41% | 0.414 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.8 | -33.7 | 173.7 | -75 | -166.2 | -65.2 | 0 | 0 | 112.5 | Y108 Q109 E110 S115 L116 | Y108-M112 HydrophobicContact CD1-CE 3.49Å; Y108-M112 VanDerWaalsContact CD1-CE 3.49Å; Y108-M112 HydrophobicContact CD1-CG 4.26Å; Y108-M112 HydrophobicContact CD1-SD 3.97Å; Y108-M112 HydrophobicContact CE1-CE 3.51Å; Y108-M112 HydrophobicContact CE1-CG 3.94Å; Y108-M112 HydrophobicContact CE1-SD 3.39Å; Y108-M112 WeakPolarHBondContact CE1-SD 3.44Å; Y108-M112 WeakPolarHBondContact O-CG 3.28Å; Y108-M112 PolarHBondContact O-N 3.04Å; Q109-M112 PolarHBondContact O-N 3.14Å; E110-M112 VanDerWaalsContact C-N 3.32Å; E110-M112 PolarHBondContact O-N 3.42Å; M112-S115 WeakPolarHBondContact CA-OG 3.5Å; M112-S115 PolarHBondContact O-OG 3.27Å; M112-L116 PolarHBondContact O-N 3.05Å |
| 113 | K | 74.4 | Confident | 64.8 | Low | 139 Ų | 139 | 114 Ų | 114 | 60% | 0.604 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.5 | -36.6 | 176.6 | -72.2 | 169.8 | -177.9 | 175.5 | 0 | 112.3 | Q109 E110 | Q109-K113 WeakPolarHBondContact O-CG 3.35Å; Q109-K113 PolarHBondContact O-N 3.42Å; Q109-K113 VanDerWaalsContact O-N 3.16Å; E110-K113 PolarHBondContact O-N 2.93Å; E110-K113 VanDerWaalsContact O-N 3.16Å |
| 114 | T | 68.7 | Low | 62.2 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 69% | 0.693 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.6 | -29.5 | -179.7 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | E110 A111 L116 G117 | E110-T114 PolarHBondContact O-N 3.11Å; E110-T114 VanDerWaalsContact O-N 3.12Å; E110-T114 PolarHBondContact O-OG1 3.06Å; A111-T114 PolarHBondContact O-OG1 3.4Å; A111-T114 VanDerWaalsContact O-OG1 3.07Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-G117 PolarHBondContact O-N 3.03Å |
| 115 | S | 59.5 | Low | 60.2 | Low | 95 Ų | 95 | 124.4 Ų | 124.4 | 66% | 0.664 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -79 | -12 | 177.7 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | A111 M112 G117 | A111-S115 WeakPolarHBondContact O-CB 3.23Å; A111-S115 PolarHBondContact O-N 3.2Å; A111-S115 VanDerWaalsContact O-N 3.14Å; A111-S115 PolarHBondContact O-OG 3.33Å; M112-S115 WeakPolarHBondContact CA-OG 3.5Å; M112-S115 PolarHBondContact O-OG 3.27Å; S115-G117 VanDerWaalsContact C-N 3.29Å |
| 116 | L | 54.8 | Low | 57.7 | Low | 146 Ų | 146 | 120.2 Ų | 120.2 | 76% | 0.764 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 18.2 | 171.1 | -108.3 | 135 | 0 | 0 | 0 | 113.3 | M112 T114 V118 | M112-L116 PolarHBondContact O-N 3.05Å; T114-L116 VanDerWaalsContact C-N 3.33Å; L116-V118 PolarHBondContact O-N 3.34Å |
| 117 | G | 41.1 | Very low | 55.6 | Low | 58 Ų | 58 | 121.1 Ų | 121.1 | 60% | 0.598 | 66% | 0.656 | S | S | * | * | | | trans | -58.5 | 104.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T114 S115 | T114-G117 PolarHBondContact O-N 3.03Å; S115-G117 VanDerWaalsContact C-N 3.29Å |
| 118 | V | 46.8 | Very low | 53.3 | Low | 119 Ų | 119 | 123.2 Ų | 123.2 | 72% | 0.721 | 67% | 0.672 | S | S | * | * | | | trans | -45.4 | 128 | 168.4 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | L116 Q120 | L116-V118 PolarHBondContact O-N 3.34Å; V118-Q120 PolarHBondContact O-N 3.48Å |
| 119 | P | 40.8 | Very low | 51.2 | Low | 115 Ų | 115 | 119.3 Ų | 119.3 | 75% | 0.747 | 68% | 0.677 | S | S | * | * | | | trans | -64.1 | 105.9 | 168.9 | 25.3 | -29.4 | 0 | 0 | 0 | 107 | C121 | P119-C121 VanDerWaalsContact C-N 3.3Å; P119-C121 PolarHBondContact O-N 2.96Å |
| 120 | Q | 40.2 | Very low | 49.1 | Very low | 179 Ų | 179 | 125.1 Ų | 125.1 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | | | trans | -62.8 | 101.9 | 163.5 | -78.3 | -158.1 | -13.5 | 0 | 0 | 106.4 | V118 E122 | V118-Q120 PolarHBondContact O-N 3.48Å; Q120-E122 VanDerWaalsContact C-N 3.28Å; Q120-E122 PolarHBondContact O-N 2.95Å |
| 121 | C | 36.2 | Very low | 47.2 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | | | trans | -59.6 | 101.8 | 155.9 | -83.3 | 0 | 0 | 0 | 0 | 106.2 | P119 R123 | P119-C121 VanDerWaalsContact C-N 3.3Å; P119-C121 PolarHBondContact O-N 2.96Å; C121-R123 VanDerWaalsContact C-N 3.28Å; C121-R123 PolarHBondContact O-N 3.27Å |
| 122 | E | 37.1 | Very low | 45.2 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | | | trans | -52.7 | 100.6 | 158.2 | -70.3 | -176.5 | 150.9 | 0 | 0 | 106.9 | Q120 D124 | Q120-E122 VanDerWaalsContact C-N 3.28Å; Q120-E122 PolarHBondContact O-N 2.95Å; E122-D124 VanDerWaalsContact C-N 3.34Å; E122-D124 PolarHBondContact O-N 3.05Å; E122-D124 VanDerWaalsContact O-N 3.11Å |
| 123 | R | 38.8 | Very low | 43.6 | Very low | 210 Ų | 210 | 133.4 Ų | 133.4 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | | | trans | -71.3 | 101.8 | 162.6 | -97.5 | -175 | -165.8 | 149.2 | 7.1 | 106 | C121 E125 | C121-R123 VanDerWaalsContact C-N 3.28Å; C121-R123 PolarHBondContact O-N 3.27Å; R123-E125 VanDerWaalsContact C-N 3.29Å; R123-E125 PolarHBondContact O-N 3.38Å |
| 124 | D | 34.3 | Very low | 41.7 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | -57.3 | 96.3 | 157.2 | -168.4 | 22.9 | 0 | 0 | 0 | 107.5 | E122 G126 | E122-D124 VanDerWaalsContact C-N 3.34Å; E122-D124 PolarHBondContact O-N 3.05Å; E122-D124 VanDerWaalsContact O-N 3.11Å; D124-G126 PolarHBondContact O-N 3.08Å |
| 125 | E | 45 | Very low | 40.3 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | | | trans | -73.9 | 66.8 | 174.2 | -75.1 | -78.3 | 151.1 | 0 | 0 | 108.8 | R123 | R123-E125 VanDerWaalsContact C-N 3.29Å; R123-E125 PolarHBondContact O-N 3.38Å |
| 126 | G | 37.8 | Very low | 39.3 | Very low | 54 Ų | 54 | 137.3 Ų | 137.3 | 56% | 0.557 | 78% | 0.781 | S | S | * | * | | | trans | -113.3 | 85.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D124 | D124-G126 PolarHBondContact O-N 3.08Š|
| 127 | S | 42.8 | Very low | 38.3 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 77.8 | 137.4 | 151.4 | -159.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 128 | L | 36.1 | Very low | 37.8 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | 92.2 | 107.5 | 156.9 | -73.3 | 150.6 | 0 | 0 | 0 | 118.5 | | |
| 129 | G | 36.8 | Very low | 37.1 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | -76 | 149.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 130 | K | 35.8 | Very low | 36.7 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | 163.1 | 137.3 | 130.1 | -90.1 | 157.7 | -178.3 | 175.6 | 0 | 107.5 | L132 | K130-L132 PolarHBondContact O-N 3.3Š|
| 131 | P | 39.2 | Very low | 36.4 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | trans | -79.8 | 112.9 | 177.6 | 31.6 | -28.3 | 0 | 0 | 0 | 108.5 | | |
| 132 | L | 34 | Very low | 36.2 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | -114.5 | 131.9 | 166.3 | -79.7 | 166.3 | 0 | 0 | 0 | 108.2 | K130 | K130-L132 PolarHBondContact O-N 3.3Š|
| 133 | C | 35.6 | Very low | 36.1 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 158.1 | 178.6 | -60.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 134 | P | 34.3 | Very low | 36.1 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 131.5 | -179.6 | -15.3 | 28.5 | 0 | 0 | 0 | 110.9 | | |
| 135 | P | 38.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 126.3 | 179 | 27.4 | -30.4 | 0 | 0 | 0 | 111.7 | I137 | P135-I137 PolarHBondContact O-N 3.14Š|
| 136 | E | 38.4 | Very low | 35.8 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -57 | 117.4 | 158.1 | -71 | 175.2 | 142.5 | 0 | 0 | 109.2 | L138 | E136-L138 PolarHBondContact O-N 2.84Š|
| 137 | I | 34.2 | Very low | 35.7 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -88 | 102.5 | 176.2 | -52.1 | 176.4 | 0 | 0 | 0 | 108.3 | P135 S139 | P135-I137 PolarHBondContact O-N 3.14Å; I137-S139 PolarHBondContact O-N 2.88Å |
| 138 | L | 31.8 | Very low | 35.5 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | -55.2 | 119.3 | 161.6 | -69.1 | 170.7 | 0 | 0 | 0 | 108.9 | E136 E140 | E136-L138 PolarHBondContact O-N 2.84Å; L138-E140 PolarHBondContact O-N 3.25Å |
| 139 | S | 31.1 | Very low | 35.3 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | -87 | 96 | 179.6 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | I137 | I137-S139 PolarHBondContact O-N 2.88Š|
| 140 | E | 33.1 | Very low | 35.2 | Very low | 191 Ų | 191 | 147.9 Ų | 147.9 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | | | trans | -82.4 | 129.4 | 165.5 | -79.2 | -168.8 | 151.8 | 0 | 0 | 111.1 | L138 | L138-E140 PolarHBondContact O-N 3.25Š|
| 141 | T | 33.8 | Very low | 35.2 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | -55.2 | 126.5 | -176.6 | 7.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 142 | L | 31.5 | Very low | 34.9 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | | | trans | -136.8 | 131.6 | 145.6 | -85 | 173.7 | 0 | 0 | 0 | 109.7 | | |
| 143 | P | 35.9 | Very low | 35 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -92.5 | 141.9 | -166.4 | 35.6 | -32.1 | 0 | 0 | 0 | 112.3 | | |
| 144 | G | 38.5 | Very low | 35.2 | Very low | 82 Ų | 82 | 143.3 Ų | 143.3 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | 115.8 | 51 | 162 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 145 | S | 33.8 | Very low | 35.8 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | | | trans | -153.6 | 122.5 | 144.2 | 64.1 | 0 | 0 | 0 | 0 | 109.7 | K147 | S145-K147 VanDerWaalsContact C-N 3.29Å; S145-K147 PolarHBondContact O-N 3.4Å |
| 146 | V | 39.1 | Very low | 36.2 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | | | trans | -75.5 | 85.4 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 147 | K | 36.1 | Very low | 36.7 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | -85 | 102.6 | 161 | -85.7 | 178.9 | 173.9 | 174.4 | 0 | 107.6 | S145 R149 | S145-K147 VanDerWaalsContact C-N 3.29Å; S145-K147 PolarHBondContact O-N 3.4Å; K147-R149 PolarHBondContact O-N 2.92Å |
| 148 | K | 36.7 | Very low | 37 | Very low | 191 Ų | 191 | 144.9 Ų | 144.9 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | trans | -53.6 | 106.7 | 161.3 | -80 | 178.1 | 174.2 | 175.5 | 0 | 107.2 | V150 | K148-V150 PolarHBondContact O-N 2.63Š|
| 149 | R | 32.9 | Very low | 37.7 | Very low | 226 Ų | 226 | 146.3 Ų | 146.3 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | -74 | 112.9 | 165 | -69.3 | -171.8 | -178.4 | -159.8 | 2.1 | 106.3 | K147 C151 | K147-R149 PolarHBondContact O-N 2.92Å; R149-C151 PolarHBondContact O-N 3.35Å |
| 150 | V | 33.9 | Very low | 38.5 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | trans | -80 | 109.2 | 160.4 | 177.4 | 0 | 0 | 0 | 0 | 105 | K148 | K148-V150 PolarHBondContact O-N 2.63Š|
| 151 | C | 35.8 | Very low | 38.8 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 125 | 163.3 | -83 | 0 | 0 | 0 | 0 | 107.2 | R149 | R149-C151 PolarHBondContact O-N 3.35Š|
| 152 | F | 33 | Very low | 39.1 | Very low | 184 Ų | 184 | 150 Ų | 150 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 126.8 | 162.5 | -67.5 | -85.7 | 0 | 0 | 0 | 107.6 | S154 | F152-S154 PolarHBondContact O-N 3.03Š|
| 153 | P | 36.4 | Very low | 39.6 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 128.2 | 165.2 | 28 | -28.7 | 0 | 0 | 0 | 107.9 | | |
| 154 | S | 40 | Very low | 39.9 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 149.4 | 169.2 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | F152 D156 | F152-S154 PolarHBondContact O-N 3.03Å; S154-D156 PolarHBondContact O-N 3.07Å |
| 155 | E | 47.9 | Very low | 39.8 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 7.2 | -167.8 | -125.1 | 103.9 | 173.7 | 0 | 0 | 118.6 | | |
| 156 | D | 46.9 | Very low | 39.9 | Very low | 136 Ų | 136 | 156.5 Ų | 156.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 14 | -166.5 | -64.8 | -31.3 | 0 | 0 | 0 | 115.5 | S154 | S154-D156 PolarHBondContact O-N 3.07Š|
| 157 | H | 48.1 | Very low | 39.8 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -131.8 | 23.5 | 179.8 | -68.8 | -57.3 | 0 | 0 | 0 | 116 | E159 | H157-E159 VanDerWaalsContact C-N 3.31Å; H157-E159 PolarHBondContact O-N 3.46Å |
| 158 | L | 41.3 | Very low | 39.7 | Very low | 135 Ų | 135 | 156.2 Ų | 156.2 | 71% | 0.707 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 17.6 | -178.5 | -154.7 | 72.4 | 0 | 0 | 0 | 115.2 | | |
| 159 | E | 47 | Very low | 39.5 | Very low | 193 Ų | 193 | 152 Ų | 152 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -9.9 | 174.5 | -72.2 | -169.9 | 170.6 | 0 | 0 | 114 | H157 | H157-E159 VanDerWaalsContact C-N 3.31Å; H157-E159 PolarHBondContact O-N 3.46Å |
| 160 | E | 46.7 | Very low | 39.4 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -99.4 | -14.6 | -178.8 | -159.9 | 170.6 | 179.7 | 0 | 0 | 113.8 | | |
| 161 | F | 38.9 | Very low | 39.3 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -91.7 | -10.5 | -174.9 | -150.2 | -97.1 | 0 | 0 | 0 | 114.9 | A163 | F161-A163 VanDerWaalsContact C-N 3.32Š|
| 162 | I | 39.9 | Very low | 39.3 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -87 | -6 | 178.6 | -57.6 | -179.8 | 0 | 0 | 0 | 111.5 | | |
| 163 | A | 42.6 | Very low | 39.2 | Very low | 91 Ų | 91 | 149 Ų | 149 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -86.5 | -10.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | F161 | F161-A163 VanDerWaalsContact C-N 3.32Š|
| 164 | E | 42.8 | Very low | 39 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -113.1 | 0.9 | -166.6 | -138.1 | 179.4 | -174.9 | 0 | 0 | 117.7 | | |
| 165 | H | 36.1 | Very low | 38.8 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -135.8 | 75.2 | 174.9 | -84.2 | -3.4 | 0 | 0 | 0 | 113.7 | | |
| 166 | L | 36.2 | Very low | 37.8 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | -116.8 | 119 | 151 | -82.3 | 173.6 | 0 | 0 | 0 | 108.7 | | |
| 167 | P | 37.1 | Very low | 37.3 | Very low | 128 Ų | 128 | 150.6 Ų | 150.6 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | | | trans | -81.9 | 116.2 | 161.3 | 28 | -23.7 | 0 | 0 | 0 | 109.9 | | |
| 168 | E | 34.6 | Very low | 36.4 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | | | trans | -58.2 | 132.9 | 164.9 | -77.7 | 165.4 | 121 | 0 | 0 | 112.9 | | |
| 169 | A | 31.2 | Very low | 36.1 | Very low | 102 Ų | 102 | 150.2 Ų | 150.2 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | | | trans | 164.7 | 134.8 | 140 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 170 | S | 31.3 | Very low | 35.3 | Very low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 82% | 0.82 | S | S | * | * | | | cis | -166 | 109 | 6.4 | 157.1 | 0 | 0 | 0 | 0 | 106 | | |
| 171 | N | 32.3 | Very low | 34.8 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | | | trans | -109.5 | 96.7 | 168 | -76.3 | -50.1 | 0 | 0 | 0 | 108.6 | | |
| 172 | Q | 35.6 | Very low | 34.5 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | | | trans | -114.2 | 122.2 | 153.2 | -61.1 | -173.8 | 10.3 | 0 | 0 | 103.8 | | |
| 173 | S | 30.5 | Very low | 34.2 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | | -171.3 | 132.7 | 55.2 | 162.6 | 0 | 0 | 0 | 0 | 108 | | |
| 174 | L | 31.1 | Very low | 33.8 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | | | trans | -104.6 | 129.2 | 163.6 | -90.7 | 171.5 | 0 | 0 | 0 | 109.5 | | |
| 175 | L | 35.8 | Very low | 33.7 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | | | trans | 62.5 | 119.1 | 148.2 | -73.4 | 161.7 | 0 | 0 | 0 | 120 | | |
| 176 | T | 28.3 | Very low | 33.7 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | | | trans | -146.7 | 124.1 | 137.3 | -32.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 177 | V | 36.6 | Very low | 33.9 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.715 | 82% | 0.821 | S | S | * | * | | | trans | -70.2 | 135.7 | 170.8 | 166.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 178 | A | 29.2 | Very low | 33.9 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | | | trans | -154 | 126.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 179 | H | 33.9 | Very low | 34.1 | Very low | 188 Ų | 188 | 131.4 Ų | 131.4 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | trans | -58.7 | 143.8 | 170.8 | -82.2 | -97.4 | 0 | 0 | 0 | 112.9 | | |
| 180 | A | 31.1 | Very low | 34.7 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -162.4 | 139.4 | 133.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 181 | D | 35.2 | Very low | 35.5 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | | | trans | -79.2 | 170.2 | -170.2 | -157.1 | -4.5 | 0 | 0 | 0 | 113.4 | | |
| 182 | A | 33.4 | Very low | 36.1 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | trans | 119.1 | 106.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 183 | G | 32.4 | Very low | 36.7 | Very low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | cis | 114 | 89 | 23.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 184 | T | 35.7 | Very low | 37.3 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | | | trans | -165.1 | 95.8 | 147.9 | 36.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 185 | Q | 39.4 | Very low | 37.7 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | -15.3 | 126.6 | 139.3 | -178.6 | -175.6 | 2.8 | 0 | 0 | 116.3 | | |
| 186 | T | 37.6 | Very low | 37.4 | Very low | 139 Ų | 139 | 139 Ų | 139 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | | -149.3 | 115.4 | 129.5 | 53.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 187 | N | 38.7 | Very low | 38 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -67.8 | 137.8 | 174.9 | -57.5 | -52.1 | 0 | 0 | 0 | 110.4 | | |
| 188 | G | 38.2 | Very low | 38.1 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -150.5 | 75.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 189 | D | 38.6 | Very low | 38.6 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -68.3 | 126.3 | 171.3 | -178 | 23.6 | 0 | 0 | 0 | 109.7 | | |
| 190 | L | 44.1 | Very low | 38.5 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | | | trans | -154.6 | 99.2 | 155.9 | -139.5 | 91.4 | 0 | 0 | 0 | 109 | | |
| 191 | E | 47.5 | Very low | 38.7 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -69.4 | 160.5 | 164.2 | -54.3 | -175.3 | 157.9 | 0 | 0 | 110.6 | | |
| 192 | D | 46 | Very low | 38.7 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | 73.2 | 99.8 | 160.3 | -58.3 | -18.9 | 0 | 0 | 0 | 120.4 | | |
| 193 | L | 47.1 | Very low | 38.9 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -146.1 | 77.4 | 137.4 | -109.4 | 156.5 | 0 | 0 | 0 | 109.3 | E195 | L193-E195 PolarHBondContact O-N 3.19Š|
| 194 | E | 42.7 | Very low | 39.1 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -70 | 105.8 | 154.4 | 179.3 | 174 | -171.2 | 0 | 0 | 107.4 | | |
| 195 | E | 39.4 | Very low | 39.1 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -110.9 | 115.2 | 167 | -166.6 | 172.4 | -179.8 | 0 | 0 | 109.6 | L193 | L193-E195 PolarHBondContact O-N 3.19Š|
| 196 | H | 30.9 | Very low | 38.9 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -46.3 | 134.3 | 174.3 | -82.3 | -88.6 | 0 | 0 | 0 | 113.3 | | |
| 197 | G | 40.7 | Very low | 39 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -67.9 | 178 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 198 | P | 37.4 | Very low | 38.8 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | | -120.7 | 126.3 | 129.1 | 32.2 | -24.5 | 0 | 0 | 0 | 109.4 | Q200 | P198-Q200 PolarHBondContact O-N 3.1Å; P198-Q200 VanDerWaalsContact O-N 3.08Å |
| 199 | G | 40.9 | Very low | 38.7 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -56 | 114.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109 | T201 | G199-T201 PolarHBondContact O-N 3.33Š|
| 200 | Q | 31.3 | Very low | 38.4 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -89.6 | 97.4 | 161.7 | -73.7 | -159.7 | -27.8 | 0 | 0 | 107.9 | P198 V202 | P198-Q200 PolarHBondContact O-N 3.1Å; P198-Q200 VanDerWaalsContact O-N 3.08Å; Q200-V202 PolarHBondContact O-N 3.01Å |
| 201 | T | 35.9 | Very low | 38.3 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | trans | -61.4 | 101.5 | 148.6 | 49.3 | 0 | 0 | 0 | 0 | 107.2 | G199 | G199-T201 PolarHBondContact O-N 3.33Š|
| 202 | V | 34.9 | Very low | 37.9 | Very low | 120 Ų | 120 | 137 Ų | 137 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -113.1 | 118.3 | 161.2 | -80.1 | 0 | 0 | 0 | 0 | 108.1 | Q200 | Q200-V202 PolarHBondContact O-N 3.01Š|
| 203 | S | 36.6 | Very low | 37.9 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -54.1 | 127 | -178.5 | -40.1 | 0 | 0 | 0 | 0 | 111.1 | E205 | S203-E205 VanDerWaalsContact C-N 3.3Å; S203-E205 PolarHBondContact O-N 2.92Å |
| 204 | E | 37.8 | Very low | 38.3 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | | | trans | -69.4 | 88.6 | 162.7 | -173.3 | 177.6 | 159.6 | 0 | 0 | 107.6 | A206 | E204-A206 VanDerWaalsContact C-N 3.26Å; E204-A206 PolarHBondContact O-N 2.91Å |
| 205 | E | 36.6 | Very low | 38.9 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | trans | -74.2 | 91.6 | 162.5 | -162.4 | -176.4 | 162 | 0 | 0 | 106.4 | S203 T207 | S203-E205 VanDerWaalsContact C-N 3.3Å; S203-E205 PolarHBondContact O-N 2.92Å; E205-T207 PolarHBondContact O-N 2.99Å |
| 206 | A | 35 | Very low | 39.8 | Very low | 77 Ų | 77 | 125.5 Ų | 125.5 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | | | trans | -61.4 | 89.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | E204 E208 | E204-A206 VanDerWaalsContact C-N 3.26Å; E204-A206 PolarHBondContact O-N 2.91Å; A206-E208 PolarHBondContact O-N 3.44Å |
| 207 | T | 38.6 | Very low | 40.8 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 69% | 0.693 | 71% | 0.705 | S | S | * | * | | | trans | -67.1 | 92.3 | 156.3 | -4.2 | 0 | 0 | 0 | 0 | 104.8 | E205 V209 | E205-T207 PolarHBondContact O-N 2.99Å; T207-V209 VanDerWaalsContact O-CG2 3.28Å; T207-V209 WeakPolarHBondContact O-CG2 3.48Å; T207-V209 PolarHBondContact O-N 3.38Å |
| 208 | E | 35.6 | Very low | 41.8 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | | | trans | -58.9 | 78.1 | 163.9 | -174.8 | -178.2 | 167.1 | 0 | 0 | 107.1 | A206 H210 | A206-E208 PolarHBondContact O-N 3.44Å; E208-H210 VanDerWaalsContact C-N 3.28Å; E208-H210 PolarHBondContact O-N 3.45Å |
| 209 | V | 36 | Very low | 42.9 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | | | trans | -67 | 102.9 | 164.3 | -136.6 | 0 | 0 | 0 | 0 | 103.2 | T207 T211 | T207-V209 VanDerWaalsContact O-CG2 3.28Å; T207-V209 WeakPolarHBondContact O-CG2 3.48Å; T207-V209 PolarHBondContact O-N 3.38Å; V209-T211 PolarHBondContact O-N 3.08Å |
| 210 | H | 30.7 | Very low | 43.8 | Very low | 152 Ų | 152 | 118 Ų | 118 | 70% | 0.704 | 66% | 0.655 | S | S | * | * | | | trans | -57.5 | 85.3 | 170.4 | -164.2 | -66.3 | 0 | 0 | 0 | 106.9 | E208 M212 | E208-H210 VanDerWaalsContact C-N 3.28Å; E208-H210 PolarHBondContact O-N 3.45Å; H210-M212 VanDerWaalsContact C-N 3.27Å; H210-M212 PolarHBondContact O-N 3.12Å |
| 211 | T | 41.9 | Very low | 45.3 | Very low | 122 Ų | 122 | 116.8 Ų | 116.8 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | | | trans | -65.6 | 98.5 | 171.4 | 50.6 | 0 | 0 | 0 | 0 | 104.5 | V209 E213 | V209-T211 PolarHBondContact O-N 3.08Å; T211-E213 PolarHBondContact O-N 3.12Å |
| 212 | M | 40.6 | Very low | 46.3 | Very low | 156 Ų | 156 | 115.5 Ų | 115.5 | 77% | 0.768 | 63% | 0.631 | S | S | * | * | | | trans | -54.6 | 116.3 | 162.4 | -77.4 | -153.6 | -66.3 | 0 | 0 | 105.7 | H210 G214 | H210-M212 VanDerWaalsContact C-N 3.27Å; H210-M212 PolarHBondContact O-N 3.12Å; M212-G214 PolarHBondContact O-N 2.84Å |
| 213 | E | 46 | Very low | 47.5 | Very low | 202 Ų | 202 | 114.3 Ų | 114.3 | 94% | 0.944 | 62% | 0.621 | S | S | * | * | | | trans | -65 | 74.7 | 166.6 | -170 | 177.4 | 162.7 | 0 | 0 | 106.9 | T211 | T211-E213 PolarHBondContact O-N 3.12Š|
| 214 | G | 54.3 | Low | 49 | Very low | 30 Ų | 30 | 112.3 Ų | 112.3 | 31% | 0.309 | 60% | 0.6 | S | S | . | * | | | trans | -83 | 138.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | M212 | M212-G214 PolarHBondContact O-N 2.84Š|
| 215 | D | 55.6 | Low | 50.2 | Low | 91 Ų | 91 | 109.1 Ų | 109.1 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | | | trans | -47.6 | 126.1 | 171.1 | 177.3 | 11.5 | 0 | 0 | 0 | 109.6 | D217 T218 L219 | D215-D217 PolarHBondContact O-N 3.4Å; D215-D217 PolarHBondContact OD1-N 2.91Å; D215-T218 WeakPolarHBondContact O-CA 3.45Å; D215-T218 WeakPolarHBondContact O-CB 3.35Å; D215-T218 PolarHBondContact O-N 3.31Å; D215-L219 PolarHBondContact O-N 2.91Å; D215-L219 VanDerWaalsContact O-N 3.12Å |
| 216 | P | 57.7 | Low | 51.3 | Low | 82 Ų | 82 | 104.3 Ų | 104.3 | 53% | 0.532 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -53.5 | -27.9 | -178.4 | 19.9 | -35.2 | 0 | 0 | 0 | 113.7 | L219 A220 | P216-L219 PolarHBondContact O-N 2.98Å; P216-A220 WeakPolarHBondContact O-CB 3.35Å; P216-A220 PolarHBondContact O-N 3.06Å |
| 217 | D | 52.3 | Low | 52.4 | Low | 74 Ų | 74 | 103.9 Ų | 103.9 | 40% | 0.396 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.4 | -35.7 | 175.5 | -72.3 | -14.9 | 0 | 0 | 0 | 111.2 | D215 A220 E221 | D215-D217 PolarHBondContact O-N 3.4Å; D215-D217 PolarHBondContact OD1-N 2.91Å; D217-A220 PolarHBondContact O-N 3.43Å; D217-E221 WeakPolarHBondContact O-CG 3.43Å; D217-E221 PolarHBondContact O-N 3.36Å; D217-E221 VanDerWaalsContact O-N 3.08Å |
| 218 | T | 62.9 | Low | 53.3 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.3 | -35.8 | 174.8 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | D215 E221 F222 | D215-T218 WeakPolarHBondContact O-CA 3.45Å; D215-T218 WeakPolarHBondContact O-CB 3.35Å; D215-T218 PolarHBondContact O-N 3.31Å; T218-E221 PolarHBondContact O-N 3.17Å; T218-F222 PolarHBondContact O-N 3.01Å |
| 219 | L | 59.4 | Low | 54.6 | Low | 92 Ų | 92 | 101.2 Ų | 101.2 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 175 | -66.7 | 175.9 | 0 | 0 | 0 | 111.7 | D215 P216 F222 L223 | D215-L219 PolarHBondContact O-N 2.91Å; D215-L219 VanDerWaalsContact O-N 3.12Å; P216-L219 PolarHBondContact O-N 2.98Å; L219-F222 PolarHBondContact O-N 2.97Å; L219-L223 WeakPolarHBondContact O-CG 3.25Å; L219-L223 PolarHBondContact O-N 3.48Å; L219-L223 VanDerWaalsContact O-N 3.08Å |
| 220 | A | 59.4 | Low | 55.5 | Low | 32 Ų | 32 | 103.1 Ų | 103.1 | 26% | 0.264 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P216 D217 F222 L223 I224 | P216-A220 WeakPolarHBondContact O-CB 3.35Å; P216-A220 PolarHBondContact O-N 3.06Å; D217-A220 PolarHBondContact O-N 3.43Å; A220-F222 PolarHBondContact O-N 3.44Å; A220-L223 PolarHBondContact O-N 3.44Å; A220-I224 WeakPolarHBondContact O-CB 3.42Å; A220-I224 WeakPolarHBondContact O-CD1 3.5Å; A220-I224 WeakPolarHBondContact O-CG1 3.31Å; A220-I224 PolarHBondContact O-N 3.11Å |
| 221 | E | 64.6 | Low | 56.3 | Low | 137 Ų | 137 | 101.2 Ų | 101.2 | 64% | 0.64 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 175.3 | -75.3 | -173.1 | 178.2 | 0 | 0 | 112.9 | D217 T218 I224 R225 | D217-E221 WeakPolarHBondContact O-CG 3.43Å; D217-E221 PolarHBondContact O-N 3.36Å; D217-E221 VanDerWaalsContact O-N 3.08Å; T218-E221 PolarHBondContact O-N 3.17Å; E221-I224 PolarHBondContact O-N 3.29Å; E221-R225 WeakPolarHBondContact O-CB 3.34Å; E221-R225 PolarHBondContact O-N 3.49Å |
| 222 | F | 55.2 | Low | 56.8 | Low | 111 Ų | 111 | 99.4 Ų | 99.4 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 176.3 | -127.5 | -93.9 | 0 | 0 | 0 | 111.5 | T218 L219 A220 R225 D226 | T218-F222 PolarHBondContact O-N 3.01Å; L219-F222 PolarHBondContact O-N 2.97Å; A220-F222 PolarHBondContact O-N 3.44Å; F222-R225 VanDerWaalsContact CE2-NH2 3.28Å; F222-R225 PolarHBondContact O-N 3.27Å; F222-D226 PolarHBondContact O-N 3.45Å |
| 223 | L | 61.4 | Low | 57.1 | Low | 96 Ų | 96 | 96.5 Ų | 96.5 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 177.6 | -69.4 | 171.1 | 0 | 0 | 0 | 112.5 | L219 A220 V227 | L219-L223 WeakPolarHBondContact O-CG 3.25Å; L219-L223 PolarHBondContact O-N 3.48Å; L219-L223 VanDerWaalsContact O-N 3.08Å; A220-L223 PolarHBondContact O-N 3.44Å; L223-V227 VanDerWaalsContact O-CG2 3.25Å; L223-V227 WeakPolarHBondContact O-CG2 3.39Å; L223-V227 PolarHBondContact O-N 3.48Å; L223-V227 VanDerWaalsContact O-N 3.12Å |
| 224 | I | 67.1 | Low | 56.7 | Low | 75 Ų | 75 | 96.1 Ų | 96.1 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 175.7 | -69.2 | 162.5 | 0 | 0 | 0 | 110.1 | L96 A220 E221 L228 | L96-I224 HydrophobicContact CD1-CG1 4.32Å; A220-I224 WeakPolarHBondContact O-CB 3.42Å; A220-I224 WeakPolarHBondContact O-CD1 3.5Å; A220-I224 WeakPolarHBondContact O-CG1 3.31Å; A220-I224 PolarHBondContact O-N 3.11Å; E221-I224 PolarHBondContact O-N 3.29Å; I224-L228 HydrophobicContact CG2-CD1 3.82Å; I224-L228 HydrophobicContact CG2-CG 4.38Å; I224-L228 WeakPolarHBondContact O-CB 3.19Å; I224-L228 WeakPolarHBondContact O-CG 3.36Å; I224-L228 PolarHBondContact O-N 2.86Å |
| 225 | R | 63.2 | Low | 56.3 | Low | 120 Ų | 120 | 101.6 Ų | 101.6 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 178.6 | -171.7 | -173.8 | 66 | -145.5 | -10.1 | 112 | E221 F222 L228 Q229 | E221-R225 WeakPolarHBondContact O-CB 3.34Å; E221-R225 PolarHBondContact O-N 3.49Å; F222-R225 VanDerWaalsContact CE2-NH2 3.28Å; F222-R225 PolarHBondContact O-N 3.27Å; R225-L228 PolarHBondContact O-N 2.87Å; R225-Q229 WeakPolarHBondContact O-CB 3.49Å; R225-Q229 PolarHBondContact O-N 2.69Å |
| 226 | D | 58.9 | Low | 55.9 | Low | 66 Ų | 66 | 99.9 Ų | 99.9 | 35% | 0.353 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | -179 | -67.5 | -6 | 0 | 0 | 0 | 111 | F222 L228 Q229 E230 | F222-D226 PolarHBondContact O-N 3.45Å; D226-L228 PolarHBondContact O-N 3.17Å; D226-Q229 PolarHBondContact O-N 3.42Å; D226-E230 PolarHBondContact O-N 3.04Å |
| 227 | V | 58.8 | Low | 55.4 | Low | 68 Ų | 68 | 105 Ų | 105 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 173.9 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | L223 Q229 E230 L231 | L223-V227 VanDerWaalsContact O-CG2 3.25Å; L223-V227 WeakPolarHBondContact O-CG2 3.39Å; L223-V227 PolarHBondContact O-N 3.48Å; L223-V227 VanDerWaalsContact O-N 3.12Å; V227-Q229 VanDerWaalsContact C-N 3.34Å; V227-E230 PolarHBondContact O-N 3.45Å; V227-L231 HydrophobicContact CG1-CD1 4.29Å; V227-L231 VanDerWaalsContact O-CG 3.31Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.34Å; V227-L231 VanDerWaalsContact O-N 3.11Å |
| 228 | L | 58.3 | Low | 55.2 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 56% | 0.56 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.9 | -34.9 | 176.5 | -71.5 | 172.9 | 0 | 0 | 0 | 112.3 | I224 R225 D226 L231 S232 | I224-L228 HydrophobicContact CG2-CD1 3.82Å; I224-L228 HydrophobicContact CG2-CG 4.38Å; I224-L228 WeakPolarHBondContact O-CB 3.19Å; I224-L228 WeakPolarHBondContact O-CG 3.36Å; I224-L228 PolarHBondContact O-N 2.86Å; R225-L228 PolarHBondContact O-N 2.87Å; D226-L228 PolarHBondContact O-N 3.17Å; L228-L231 PolarHBondContact O-N 3.15Å; L228-S232 WeakPolarHBondContact O-CB 3.27Å; L228-S232 PolarHBondContact O-N 3.46Å |
| 229 | Q | 61.7 | Low | 54.3 | Low | 123 Ų | 123 | 115.5 Ų | 115.5 | 58% | 0.575 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.4 | -42.6 | 175.8 | -173.3 | 168.4 | 3.5 | 0 | 0 | 111.4 | R225 D226 V227 L231 S232 S233 | R225-Q229 WeakPolarHBondContact O-CB 3.49Å; R225-Q229 PolarHBondContact O-N 2.69Å; D226-Q229 PolarHBondContact O-N 3.42Å; V227-Q229 VanDerWaalsContact C-N 3.34Å; Q229-L231 VanDerWaalsContact C-N 3.34Å; Q229-L231 PolarHBondContact O-N 3.34Å; Q229-S232 WeakPolarHBondContact CA-OG 3.32Å; Q229-S232 PolarHBondContact O-N 2.85Å; Q229-S232 PolarHBondContact O-OG 3.1Å; Q229-S233 PolarHBondContact O-N 3.4Å; Q229-S233 VanDerWaalsContact O-N 3.15Å |
| 230 | E | 56.3 | Low | 53.3 | Low | 156 Ų | 156 | 117.6 Ų | 117.6 | 73% | 0.729 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.4 | -40.4 | 173.9 | -75.9 | -170.1 | 158.2 | 0 | 0 | 112.3 | D226 V227 S232 S233 | D226-E230 PolarHBondContact O-N 3.04Å; V227-E230 PolarHBondContact O-N 3.45Å; E230-S232 VanDerWaalsContact C-N 3.31Å; E230-S232 PolarHBondContact O-N 3.02Å; E230-S233 PolarHBondContact O-N 2.76Å |
| 231 | L | 47.3 | Very low | 53 | Low | 112 Ų | 112 | 121.3 Ų | 121.3 | 59% | 0.586 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.5 | -30.6 | 175.7 | -68.7 | 173.1 | 0 | 0 | 0 | 112.9 | V227 L228 Q229 S233 | V227-L231 HydrophobicContact CG1-CD1 4.29Å; V227-L231 VanDerWaalsContact O-CG 3.31Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.34Å; V227-L231 VanDerWaalsContact O-N 3.11Å; L228-L231 PolarHBondContact O-N 3.15Å; Q229-L231 VanDerWaalsContact C-N 3.34Å; Q229-L231 PolarHBondContact O-N 3.34Å; L231-S233 VanDerWaalsContact C-N 3.32Å |
| 232 | S | 52.5 | Low | 51.9 | Low | 85 Ų | 85 | 123 Ų | 123 | 59% | 0.594 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.9 | -18.6 | 176 | 76.2 | 0 | 0 | 0 | 0 | 113.7 | L228 Q229 E230 Y234 | L228-S232 WeakPolarHBondContact O-CB 3.27Å; L228-S232 PolarHBondContact O-N 3.46Å; Q229-S232 WeakPolarHBondContact CA-OG 3.32Å; Q229-S232 PolarHBondContact O-N 2.85Å; Q229-S232 PolarHBondContact O-OG 3.1Å; E230-S232 VanDerWaalsContact C-N 3.31Å; E230-S232 PolarHBondContact O-N 3.02Å; S232-Y234 VanDerWaalsContact C-N 3.27Å; S232-Y234 PolarHBondContact O-N 3.06Å |
| 233 | S | 47 | Very low | 51.5 | Low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -2.7 | 177.6 | -171.7 | 0 | 0 | 0 | 0 | 113.6 | Q229 E230 L231 N235 | Q229-S233 PolarHBondContact O-N 3.4Å; Q229-S233 VanDerWaalsContact O-N 3.15Å; E230-S233 PolarHBondContact O-N 2.76Å; L231-S233 VanDerWaalsContact C-N 3.32Å; S233-N235 VanDerWaalsContact C-N 3.27Å; S233-N235 PolarHBondContact O-N 3.15Å |
| 234 | Y | 37.5 | Very low | 50.5 | Low | 194 Ų | 194 | 128 Ų | 128 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | | | trans | -76.3 | 78.4 | 172.3 | -172.9 | -102 | 0 | 0 | 0 | 110.3 | S232 | S232-Y234 VanDerWaalsContact C-N 3.27Å; S232-Y234 PolarHBondContact O-N 3.06Å |
| 235 | N | 46.1 | Very low | 49.2 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | | | trans | -87.1 | 114.3 | 157.6 | -73.6 | -54 | 0 | 0 | 0 | 106.7 | S233 E237 | S233-N235 VanDerWaalsContact C-N 3.27Å; S233-N235 PolarHBondContact O-N 3.15Å; N235-E237 PolarHBondContact O-N 3Å; N235-E237 VanDerWaalsContact O-N 3.15Å |
| 236 | G | 46 | Very low | 47.8 | Very low | 54 Ų | 54 | 133.9 Ų | 133.9 | 56% | 0.557 | 70% | 0.698 | S | S | * | * | | | trans | -55.5 | 120.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | E238 | G236-E238 VanDerWaalsContact C-N 3.34Å; G236-E238 PolarHBondContact O-N 2.73Å |
| 237 | E | 47.6 | Very low | 47 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | | | trans | -63.3 | 99.2 | 167.6 | -167 | 170.1 | -171.2 | 0 | 0 | 106.6 | N235 E239 | N235-E237 PolarHBondContact O-N 3Å; N235-E237 VanDerWaalsContact O-N 3.15Å; E237-E239 PolarHBondContact O-N 2.7Å |
| 238 | E | 48.1 | Very low | 45.9 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | | | trans | -68 | 99.9 | 168.3 | -170.4 | 173.1 | -166.3 | 0 | 0 | 106 | G236 D240 | G236-E238 VanDerWaalsContact C-N 3.34Å; G236-E238 PolarHBondContact O-N 2.73Å; E238-D240 PolarHBondContact O-N 3.15Å |
| 239 | E | 44 | Very low | 44.5 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | | | trans | -53.4 | 105.8 | 174.5 | -127.3 | -177.4 | 174 | 0 | 0 | 108.6 | E237 P241 | E237-E239 PolarHBondContact O-N 2.7Å; E239-P241 WeakPolarHBondContact O-CD 3.34Å |
| 240 | D | 38.1 | Very low | 43.4 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -60.3 | 117.2 | 171.2 | -174.5 | 22.9 | 0 | 0 | 0 | 108.1 | E238 E242 | E238-D240 PolarHBondContact O-N 3.15Å; D240-E242 PolarHBondContact O-N 3.26Å |
| 241 | P | 52.6 | Low | 42.5 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | trans | -70.7 | 96.4 | 179.1 | 27.7 | -31.6 | 0 | 0 | 0 | 109.1 | E239 E243 | E239-P241 WeakPolarHBondContact O-CD 3.34Å; P241-E243 PolarHBondContact O-N 2.71Å |
| 242 | E | 42.3 | Very low | 41.9 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | -43.2 | 128 | 172.1 | -77.1 | -171.7 | 149.6 | 0 | 0 | 111.6 | D240 V244 | D240-E242 PolarHBondContact O-N 3.26Å; E242-V244 VanDerWaalsContact C-N 3.35Å; E242-V244 PolarHBondContact O-N 3.15Å |
| 243 | E | 47.4 | Very low | 40.9 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | | | trans | -59.3 | 89.4 | 175.1 | -64.1 | -165.6 | 161.7 | 0 | 0 | 111.7 | P241 K245 | P241-E243 PolarHBondContact O-N 2.71Å; E243-K245 PolarHBondContact O-N 3Å |
| 244 | V | 39.7 | Very low | 40.2 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | | | trans | -82.4 | 99.9 | 166.7 | 155 | 0 | 0 | 0 | 0 | 109.7 | E242 | E242-V244 VanDerWaalsContact C-N 3.35Å; E242-V244 PolarHBondContact O-N 3.15Å |
| 245 | K | 39.4 | Very low | 40 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | 74.9 | 122.7 | 145.5 | -57.8 | 167.9 | -171 | 171.9 | 0 | 118.1 | E243 | E243-K245 PolarHBondContact O-N 3Š|
| 246 | T | 35.4 | Very low | 39.8 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | | | | -162.3 | 105 | 109.6 | 46.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 247 | S | 40.6 | Very low | 39.7 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -93.7 | 100.1 | 148 | 30.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 248 | L | 36.5 | Very low | 39.3 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | -176.7 | 118 | 157.2 | -109.9 | 145.6 | 0 | 0 | 0 | 111.9 | | |
| 249 | G | 29.2 | Very low | 39 | Very low | 64 Ų | 64 | 148.6 Ų | 148.6 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | trans | 89.1 | 91.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | P251 | G249-P251 VanDerWaalsContact O-CD 3.31Å; G249-P251 WeakPolarHBondContact O-CD 3.44Å |
| 250 | V | 38.7 | Very low | 38.5 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -49.6 | 132.7 | 148.7 | 172.7 | 0 | 0 | 0 | 0 | 109.3 | Q252 | V250-Q252 HydrophobicContact CG1-CB 4.4Š|
| 251 | P | 36.2 | Very low | 38.7 | Very low | 122 Ų | 122 | 149 Ų | 149 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | | | | -128.1 | 123.7 | 120.5 | 33.4 | -23.6 | 0 | 0 | 0 | 111.6 | G249 | G249-P251 VanDerWaalsContact O-CD 3.31Å; G249-P251 WeakPolarHBondContact O-CD 3.44Å |
| 252 | Q | 36.1 | Very low | 37.8 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | trans | -57.4 | 132.5 | 167.4 | -171 | 177.9 | 29.2 | 0 | 0 | 111.4 | V250 | V250-Q252 HydrophobicContact CG1-CB 4.4Š|
| 253 | R | 31.5 | Very low | 38.2 | Very low | 245 Ų | 245 | 149.7 Ų | 149.7 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | | | trans | 160.6 | 132.9 | 136.9 | -91.3 | 167.5 | -176.9 | -106.7 | 0 | 111.6 | | |
| 254 | G | 31.3 | Very low | 38.1 | Very low | 76 Ų | 76 | 145 Ų | 145 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | 144 | 90.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 255 | D | 34.3 | Very low | 37.7 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -49 | 139.5 | 166.5 | -57.3 | -53.4 | 0 | 0 | 0 | 112.6 | | |
| 256 | L | 42.1 | Very low | 37.4 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | | -168.4 | 114.9 | 116.1 | -127.7 | 79.4 | 0 | 0 | 0 | 109.3 | | |
| 257 | E | 42.1 | Very low | 37.3 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -77.5 | 160.1 | 164 | -57.4 | 173.8 | -166 | 0 | 0 | 109 | | |
| 258 | D | 39.5 | Very low | 37.1 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | 84.5 | 146.3 | 163 | -77.8 | -19 | 0 | 0 | 0 | 121.5 | | |
| 259 | L | 42.4 | Very low | 37.3 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | | | trans | 95.8 | 98.8 | 159 | -118.6 | 60 | 0 | 0 | 0 | 115.4 | | |
| 260 | E | 33.9 | Very low | 37.6 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | | | | 111.9 | 120 | 64.7 | -175.6 | 166.5 | -158.1 | 0 | 0 | 107.3 | | |
| 261 | E | 41.8 | Very low | 37.5 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | 12.2 | 115.3 | 146.7 | -162.5 | 174 | -165.6 | 0 | 0 | 117.7 | | |
| 262 | H | 33 | Very low | 37.5 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -154.8 | 106.4 | 138.4 | -135.2 | -62.3 | 0 | 0 | 0 | 112 | P264 | H262-P264 VanDerWaalsContact ND1-CD 3.31Å; H262-P264 WeakPolarHBondContact ND1-CD 3.37Å; H262-P264 WeakPolarHBondContact ND1-CG 3.37Å |
| 263 | V | 50.5 | Low | 37.6 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | trans | -83.1 | 130.2 | 145.7 | -173.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 264 | P | 46.9 | Very low | 37.7 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | | | trans | -139.4 | 135.5 | 130.6 | 33.7 | -17.8 | 0 | 0 | 0 | 108.9 | H262 | H262-P264 VanDerWaalsContact ND1-CD 3.31Å; H262-P264 WeakPolarHBondContact ND1-CD 3.37Å; H262-P264 WeakPolarHBondContact ND1-CG 3.37Å |
| 265 | G | 29.7 | Very low | 38.1 | Very low | 71 Ų | 71 | 140.6 Ų | 140.6 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | | 118.3 | 111.9 | 73.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 266 | Q | 34.2 | Very low | 38.3 | Very low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -61.5 | 145.5 | -178 | -58 | -177.7 | -34.9 | 0 | 0 | 112.4 | | |
| 267 | T | 32.2 | Very low | 38.2 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -153.3 | 107.1 | 138.3 | 49.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 268 | V | 36.4 | Very low | 38.1 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | trans | 8.6 | 127.1 | 142.6 | -65.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 269 | S | 41.9 | Very low | 38.2 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | | -175.6 | 118.3 | 117 | 7.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 270 | E | 34.1 | Very low | 38.2 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | | 104.7 | 128.3 | 65.9 | -170.1 | 170.1 | 167.4 | 0 | 0 | 110.6 | | |
| 271 | E | 37.1 | Very low | 38.3 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | 91.6 | 97.3 | 163.5 | -135.2 | 177.7 | 146.8 | 0 | 0 | 121.3 | | |
| 272 | A | 36.3 | Very low | 38.6 | Very low | 82 Ų | 82 | 139.9 Ų | 139.9 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | 41.9 | 133.3 | 130.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 273 | T | 37.8 | Very low | 38.7 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | cis | -167.1 | 113.7 | 34.1 | -37.8 | 0 | 0 | 0 | 0 | 105.8 | | |
| 274 | G | 34.5 | Very low | 38.1 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | -133.1 | 109.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | H276 | G274-H276 PolarHBondContact O-N 3.05Š|
| 275 | V | 39.8 | Very low | 37.6 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | | | trans | -61.1 | 123.7 | -175.6 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | M277 | V275-M277 PolarHBondContact O-N 3.15Š|
| 276 | H | 37.8 | Very low | 37.5 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -64.8 | 118.5 | 176.4 | -82.6 | -74.1 | 0 | 0 | 0 | 110.8 | G274 M278 | G274-H276 PolarHBondContact O-N 3.05Å; H276-M278 PolarHBondContact O-N 2.96Å |
| 277 | M | 40.5 | Very low | 37.8 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -71.2 | 103.8 | 159.3 | -70.2 | -89.4 | -79.5 | 0 | 0 | 107.7 | V275 Q279 | V275-M277 PolarHBondContact O-N 3.15Å; M277-Q279 PolarHBondContact O-N 2.95Å; M277-Q279 VanDerWaalsContact O-N 3.14Å |
| 278 | M | 39.3 | Very low | 38 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | | | trans | -74.8 | 100 | 171.6 | -168.4 | 162.9 | 116.9 | 0 | 0 | 108.4 | H276 V280 | H276-M278 PolarHBondContact O-N 2.96Å; M278-V280 HydrophobicContact CE-CG2 3.53Å; M278-V280 HydrophobicContact CG-CG2 3.95Å |
| 279 | Q | 41.8 | Very low | 37.9 | Very low | 186 Ų | 186 | 138.9 Ų | 138.9 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | -70.2 | 128.3 | 160 | -68.3 | -179.4 | 27.2 | 0 | 0 | 107.9 | M277 | M277-Q279 PolarHBondContact O-N 2.95Å; M277-Q279 VanDerWaalsContact O-N 3.14Å |
| 280 | V | 42.4 | Very low | 37.8 | Very low | 111 Ų | 111 | 142 Ų | 142 | 67% | 0.673 | 80% | 0.799 | S | S | * | * | | | trans | -120.6 | 117.5 | 169.9 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | M278 | M278-V280 HydrophobicContact CE-CG2 3.53Å; M278-V280 HydrophobicContact CG-CG2 3.95Å |
| 281 | D | 35.6 | Very low | 38.3 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -70.8 | 148.3 | 175.5 | -93.8 | -36.4 | 0 | 0 | 0 | 112.1 | | |
| 282 | P | 49.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | trans | -94.2 | 105.5 | -177.6 | 35.1 | -28.2 | 0 | 0 | 0 | 111.4 | | |
| 283 | A | 33.9 | Very low | 39.1 | Very low | 82 Ų | 82 | 143.8 Ų | 143.8 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | trans | -160 | 117.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 284 | T | 38.7 | Very low | 39.1 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | trans | 50.7 | 103.7 | 140.4 | 58.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 285 | L | 35.9 | Very low | 39.2 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | -160.6 | 121.9 | 137 | -153.3 | 122.2 | 0 | 0 | 0 | 113.4 | | |
| 286 | A | 29.1 | Very low | 39 | Very low | 77 Ų | 77 | 149.5 Ų | 149.5 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | | | trans | 44 | 107.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 287 | K | 40 | Very low | 39.5 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | | 73.5 | 112.2 | 87.8 | -76.2 | -169.4 | 178.7 | -177.7 | 0 | 114.7 | | |
| 288 | S | 36.3 | Very low | 39.7 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | | | trans | 57.3 | 111.5 | 137.2 | 62.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 289 | D | 33.8 | Very low | 39.5 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | | -179.5 | 119.9 | 100.2 | -82.9 | -25.8 | 0 | 0 | 0 | 108.9 | | |
| 290 | L | 39.5 | Very low | 39.1 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 93% | 0.927 | 78% | 0.781 | S | S | * | * | | | trans | -128 | 105.1 | 171.5 | -167.8 | 72.4 | 0 | 0 | 0 | 107.4 | | |
| 291 | E | 44.3 | Very low | 38.4 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | -97.5 | 137.8 | 167.8 | -63.1 | -177 | 150.3 | 0 | 0 | 109.1 | | |
| 292 | D | 44.4 | Very low | 38.9 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 51 | 115.6 | 150.3 | -83.6 | -7 | 0 | 0 | 0 | 122.5 | | |
| 293 | L | 46.8 | Very low | 38.4 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | | 166.2 | 104.9 | 116.7 | -122.3 | 61.1 | 0 | 0 | 0 | 107.2 | | |
| 294 | E | 37.8 | Very low | 38.4 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | | 72.5 | 125.3 | 76.7 | -166.4 | 161.2 | -154.5 | 0 | 0 | 114.7 | | |
| 295 | E | 36.8 | Very low | 38.4 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | trans | 68.2 | 137.2 | 164.5 | -84.2 | -174.7 | 154.3 | 0 | 0 | 119.1 | | |
| 296 | H | 35.1 | Very low | 38.5 | Very low | 150 Ų | 150 | 147.3 Ų | 147.3 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | | | cis | -162.6 | 139 | 12.8 | -151.4 | -69.9 | 0 | 0 | 0 | 108.6 | | |
| 297 | V | 49.1 | Very low | 38.8 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -104.1 | 143.1 | 164 | 177.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 298 | P | 44.8 | Very low | 38.4 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | | | trans | -103.1 | 110 | 158.1 | 30.3 | -18.5 | 0 | 0 | 0 | 110.3 | | |
| 299 | E | 35.3 | Very low | 38.5 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -64.3 | 136.2 | 149.1 | -69.5 | 178.3 | 137.8 | 0 | 0 | 108.6 | | |
| 300 | Q | 32.8 | Very low | 38.8 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | | | trans | -129.5 | 124.2 | 155.8 | -73 | -145.8 | -40.7 | 0 | 0 | 110.2 | | |
| 301 | T | 28.3 | Very low | 39 | Very low | 117 Ų | 117 | 145 Ų | 145 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | | | trans | -103.7 | 139.6 | -178.5 | 42.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 302 | V | 46 | Very low | 38.7 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | 39.8 | 129.8 | 142.5 | -51.2 | 0 | 0 | 0 | 0 | 123 | | |
| 303 | S | 36.8 | Very low | 38.7 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | | -163.9 | 122.6 | 125.8 | 49.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 304 | E | 34.9 | Very low | 38.7 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | | 64 | 91.9 | 63.3 | -161.7 | 176.4 | 157 | 0 | 0 | 114 | | |
| 305 | E | 37.7 | Very low | 38.6 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | -151 | 127.9 | 143.7 | -164.6 | 174.9 | 141 | 0 | 0 | 109.6 | | |
| 306 | A | 39.2 | Very low | 39.2 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -114.7 | 137.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 307 | T | 34.5 | Very low | 39.5 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | | | trans | -160.2 | 124.2 | 148.5 | -13.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 308 | G | 33.1 | Very low | 39.7 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 40.7 | 136.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 309 | V | 37.1 | Very low | 39.5 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | | | | -166.2 | 119.7 | 52.2 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 310 | H | 39.8 | Very low | 39.7 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | 56.1 | 98.4 | 145.9 | -46.9 | -35.2 | 0 | 0 | 0 | 123.7 | | |
| 311 | M | 43.9 | Very low | 40.4 | Very low | 160 Ų | 160 | 138 Ų | 138 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | | | | 35.1 | 104 | 117.6 | -58.2 | -76.9 | -82.3 | 0 | 0 | 119.6 | | |
| 312 | M | 38.3 | Very low | 41 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | | | trans | -145.9 | 91.6 | 136.4 | -162.5 | 162.4 | 154.5 | 0 | 0 | 109.2 | V314 | M312-V314 HydrophobicContact CE-CG2 4.15Å; M312-V314 HydrophobicContact CG-CG2 4.38Å |
| 313 | Q | 44.3 | Very low | 40.6 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -75 | 123.5 | 165.7 | -73.9 | 177.1 | 4 | 0 | 0 | 108 | | |
| 314 | V | 46 | Very low | 40.7 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | | | trans | -112.4 | 124.4 | 164.9 | 179 | 0 | 0 | 0 | 0 | 107.1 | M312 | M312-V314 HydrophobicContact CE-CG2 4.15Å; M312-V314 HydrophobicContact CG-CG2 4.38Å |
| 315 | D | 37.8 | Very low | 40.8 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -67.5 | 127.5 | -174.8 | -140.9 | -7.1 | 0 | 0 | 0 | 110.9 | A317 | D315-A317 PolarHBondContact O-N 2.96Š|
| 316 | P | 47.4 | Very low | 40.9 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -86.9 | 55.7 | -176.3 | 35.8 | -34.6 | 0 | 0 | 0 | 111.5 | | |
| 317 | A | 42.1 | Very low | 40.8 | Very low | 76 Ų | 76 | 142.4 Ų | 142.4 | 63% | 0.628 | 80% | 0.801 | S | S | * | * | | | trans | -149 | 39.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D315 | D315-A317 PolarHBondContact O-N 2.96Š|
| 318 | T | 52.8 | Low | 41.3 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | | | trans | -159.7 | 63.8 | 170.1 | -27.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 319 | L | 41.4 | Very low | 41.8 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | | | trans | -160.2 | 74.4 | 159.8 | -141.3 | 171.4 | 0 | 0 | 0 | 112.8 | | |
| 320 | A | 38.6 | Very low | 41.7 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | | | trans | -154.1 | 60.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 321 | K | 48.4 | Very low | 42.1 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | -145.6 | 138.2 | 157 | -68.9 | -167.1 | 178.2 | 176.6 | 0 | 107.8 | | |
| 322 | Q | 40.6 | Very low | 42.2 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | 96.5 | 88.1 | -177.8 | -54.5 | -165.2 | 19.4 | 0 | 0 | 114.9 | | |
| 323 | L | 37.3 | Very low | 42.4 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | | -176.1 | 83.2 | 103.6 | -116.1 | 149.9 | 0 | 0 | 0 | 108.7 | | |
| 324 | E | 38.5 | Very low | 42.6 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -80.4 | 157 | 154.6 | -71.7 | 168.5 | 158.4 | 0 | 0 | 107.7 | | |
| 325 | D | 38.8 | Very low | 42.3 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | | | trans | 90.7 | 89.9 | 176.8 | -54.4 | -23.2 | 0 | 0 | 0 | 116.9 | | |
| 326 | S | 39.4 | Very low | 42.7 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | | -155.7 | 101.1 | 128.9 | -82.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 327 | T | 36.6 | Very low | 42.3 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | -45.7 | 128.2 | 155.9 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 328 | I | 45.3 | Very low | 42.3 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | trans | -145.5 | 118.9 | 142.5 | -165.8 | 160.6 | 0 | 0 | 0 | 111.3 | | |
| 329 | T | 44.3 | Very low | 41.6 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -64.3 | 135.4 | 170.9 | 44.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 330 | G | 34.8 | Very low | 41.4 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | trans | -156.9 | 69.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 331 | S | 47.5 | Very low | 41.4 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | -70.2 | 124.9 | 168.1 | 173 | 0 | 0 | 0 | 0 | 109.9 | | |
| 332 | H | 45.8 | Very low | 40.9 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | | | trans | -149.1 | 97.7 | 156.3 | -161.4 | -79.1 | 0 | 0 | 0 | 112.6 | | |
| 333 | Q | 42.5 | Very low | 41 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 61% | 0.612 | 81% | 0.811 | S | S | * | * | | | trans | 29.8 | 110.9 | 143.5 | -59.2 | -177.6 | 30.2 | 0 | 0 | 119.1 | | |
| 334 | Q | 48.4 | Very low | 40.9 | Very low | 203 Ų | 203 | 130 Ų | 130 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | | | trans | -82.2 | 123 | 147.5 | -65.5 | -171.5 | -61.8 | 0 | 0 | 108.4 | | |
| 335 | M | 39.6 | Very low | 40.7 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -115.1 | 132.2 | 170.5 | -77.5 | -86 | -102.5 | 0 | 0 | 109.1 | | |
| 336 | S | 46.7 | Very low | 40.4 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -66.8 | 149.3 | 176.7 | 39.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 337 | A | 39.2 | Very low | 40.4 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -135.6 | 120.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 338 | S | 41.6 | Very low | 40.5 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | -62.3 | 151.6 | 173.9 | -52 | 0 | 0 | 0 | 0 | 112.2 | | |
| 339 | P | 39.1 | Very low | 39.9 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -80.4 | 122.1 | 161.4 | 31.7 | -28.5 | 0 | 0 | 0 | 109.2 | | |
| 340 | S | 36.7 | Very low | 39.9 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | trans | -140.2 | 101.7 | 170.7 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 341 | S | 38.4 | Very low | 40 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | 177.3 | 118.3 | 141.5 | -86.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 342 | A | 38.3 | Very low | 39.6 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -123.6 | 162 | 139.7 | 0 | 0 | 0 | 0 | 0 | 105 | | |
| 343 | P | 42.9 | Very low | 39 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | cis | -140.2 | -177.1 | 27.1 | 38.1 | -16.1 | 0 | 0 | 0 | 116.4 | | |
| 344 | A | 35 | Very low | 39 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -55.1 | 148.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 345 | E | 33.4 | Very low | 38.3 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | -165.3 | 149.9 | 139.6 | -115 | -176.7 | -178.8 | 0 | 0 | 112.4 | | |
| 346 | E | 32 | Very low | 38.1 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | 65.3 | 142.7 | 161.8 | -91.2 | -175.2 | 141.5 | 0 | 0 | 119.2 | | |
| 347 | A | 39.8 | Very low | 37.8 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | | | cis | -150.6 | 145.2 | 12.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E349 | A347-E349 PolarHBondContact O-N 3.15Š|
| 348 | T | 38.3 | Very low | 37.6 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | | | trans | -71.1 | 113.4 | 168.4 | 48.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 349 | E | 34.5 | Very low | 37.7 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | trans | -104.6 | 108.9 | 163.3 | -163.4 | 176.3 | 161.4 | 0 | 0 | 109.5 | A347 | A347-E349 PolarHBondContact O-N 3.15Š|
| 350 | K | 42.4 | Very low | 37.9 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -90.5 | 114.1 | 168.9 | -70.5 | -178.9 | 178.5 | 179.3 | 0 | 107.8 | | |
| 351 | T | 38 | Very low | 38.2 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | trans | -135.6 | 111.7 | 160.9 | 18 | 0 | 0 | 0 | 0 | 110 | | |
| 352 | K | 39.7 | Very low | 38.1 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -71.1 | 115.6 | 175.4 | 176.7 | -169.6 | 174.9 | -150.6 | 0 | 108.4 | E354 | K352-E354 WeakPolarHBondContact CE-OE1 3.26Å; K352-E354 IonicContact NZ-OE1 2.83Å; K352-E354 PolarHBondContact NZ-OE1 2.78Å |
| 353 | V | 32.1 | Very low | 38.1 | Very low | 127 Ų | 127 | 156.6 Ų | 156.6 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | -106.7 | 112.9 | 163.1 | 164.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 354 | E | 42.7 | Very low | 38 | Very low | 155 Ų | 155 | 160.2 Ų | 160.2 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | | | trans | -69.1 | 120.8 | 162.6 | -76.8 | 171.4 | 176.5 | 0 | 0 | 107.8 | K352 | K352-E354 WeakPolarHBondContact CE-OE1 3.26Å; K352-E354 IonicContact NZ-OE1 2.83Å; K352-E354 PolarHBondContact NZ-OE1 2.78Å |
| 355 | E | 34 | Very low | 38.2 | Very low | 183 Ų | 183 | 165.1 Ų | 165.1 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | trans | -123.6 | 109.8 | 160.5 | -164.9 | 177.9 | 152.1 | 0 | 0 | 109.5 | | |
| 356 | E | 34.8 | Very low | 38.7 | Very low | 187 Ų | 187 | 162.8 Ų | 162.8 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -79.9 | 133.3 | 177.4 | -154.5 | -175.1 | 165.6 | 0 | 0 | 110.1 | | |
| 357 | V | 41 | Very low | 39.2 | Very low | 125 Ų | 125 | 164.8 Ų | 164.8 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | | | trans | -41.5 | 131.5 | 178.8 | 171.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 358 | K | 34.8 | Very low | 39.7 | Very low | 174 Ų | 174 | 169.6 Ų | 169.6 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | | | trans | -150.5 | 100.2 | 145.4 | -147.4 | 163.3 | -169.6 | 161.1 | 0 | 114 | R360 | K358-R360 PolarHBondContact O-N 2.87Š|
| 359 | T | 44.3 | Very low | 40 | Very low | 131 Ų | 131 | 168.3 Ų | 168.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -60.2 | 116.2 | 166.7 | 44.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 360 | R | 42.4 | Very low | 40.5 | Very low | 216 Ų | 216 | 163.7 Ų | 163.7 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | trans | -138.7 | 122.4 | 162.6 | -82.6 | -171.6 | 168.9 | -177.4 | -3 | 110.3 | K358 | K358-R360 PolarHBondContact O-N 2.87Š|
| 361 | K | 42.5 | Very low | 40.9 | Very low | 201 Ų | 201 | 163.6 Ų | 163.6 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 146.3 | 179.2 | -61.3 | -155.3 | 176.1 | -168 | 0 | 111.9 | K363 | K361-K363 PolarHBondContact O-N 3.32Š|
| 362 | P | 37 | Very low | 41.3 | Very low | 132 Ų | 132 | 166.7 Ų | 166.7 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 121.4 | -179.8 | 27.1 | -31.7 | 0 | 0 | 0 | 111 | | |
| 363 | K | 38.9 | Very low | 41.7 | Very low | 194 Ų | 194 | 161.7 Ų | 161.7 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 116.8 | 172.7 | -164.6 | 168.2 | -176.8 | 170.5 | 0 | 108.1 | K361 K365 | K361-K363 PolarHBondContact O-N 3.32Å; K363-K365 PolarHBondContact O-N 3.39Å |
| 364 | K | 41.4 | Very low | 42.2 | Very low | 205 Ų | 205 | 164.9 Ų | 164.9 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | -52 | 105.6 | 177.8 | -156.8 | 172.8 | -172.8 | 175.4 | 0 | 109.7 | | |
| 365 | K | 38.5 | Very low | 42.3 | Very low | 196 Ų | 196 | 166 Ų | 166 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | | | trans | -89.1 | 104.6 | 172.7 | -76.5 | -171.9 | 179 | 177.1 | 0 | 108.4 | K363 R367 | K363-K365 PolarHBondContact O-N 3.39Å; K365-R367 PolarHBondContact O-N 2.86Å |
| 366 | T | 43.8 | Very low | 42.9 | Very low | 132 Ų | 132 | 162.9 Ų | 162.9 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -69.7 | 98.5 | 166.7 | -35.1 | 0 | 0 | 0 | 0 | 107.8 | K368 | T366-K368 PolarHBondContact O-N 2.83Š|
| 367 | R | 42.9 | Very low | 43.5 | Very low | 226 Ų | 226 | 158.9 Ų | 158.9 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | | | trans | -69.6 | 113.3 | 175.3 | -177.2 | 173.3 | 151.2 | 142.9 | -6.4 | 107.8 | K365 | K365-R367 PolarHBondContact O-N 2.86Š|
| 368 | K | 49.6 | Very low | 43.9 | Very low | 185 Ų | 185 | 157.7 Ų | 157.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 141 | 172 | -67.2 | -150.2 | 179.5 | -170 | 0 | 109.1 | T366 S370 | T366-K368 PolarHBondContact O-N 2.83Å; K368-S370 PolarHBondContact O-N 2.82Å |
| 369 | P | 43.8 | Very low | 44.7 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 135.4 | 177.2 | 24 | -31.7 | 0 | 0 | 0 | 109.6 | | |
| 370 | S | 46.2 | Very low | 44.8 | Very low | 73 Ų | 73 | 152.8 Ų | 152.8 | 51% | 0.51 | 72% | 0.723 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 139.2 | 179.3 | 102 | 0 | 0 | 0 | 0 | 109 | K368 K372 S373 | K368-S370 PolarHBondContact O-N 2.82Å; S370-K372 PolarHBondContact O-N 2.88Å; S370-S373 PolarHBondContact O-N 2.87Å; S370-S373 PolarHBondContact O-OG 3.31Å |
| 371 | K | 50 | Low | 44.9 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 85% | 0.852 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -7.5 | -176.5 | -68.8 | 176.4 | 178.4 | 175.6 | 0 | 114 | | |
| 372 | K | 47.7 | Very low | 45 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 77% | 0.774 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -28.4 | 179.7 | -75.7 | -175.7 | 174.4 | -175 | 0 | 113.7 | S370 | S370-K372 PolarHBondContact O-N 2.88Š|
| 373 | S | 47.4 | Very low | 45.7 | Very low | 68 Ų | 68 | 145.7 Ų | 145.7 | 48% | 0.476 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -74.5 | -27.9 | -179.1 | 66.1 | 0 | 0 | 0 | 0 | 113.4 | S370 W375 | S370-S373 PolarHBondContact O-N 2.87Å; S370-S373 PolarHBondContact O-OG 3.31Å; S373-W375 VanDerWaalsContact C-N 3.33Å; S373-W375 PolarHBondContact O-N 2.91Å |
| 374 | R | 42.2 | Very low | 46.1 | Very low | 194 Ų | 194 | 144 Ų | 144 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.1 | -23.2 | 178.9 | -105.2 | 176 | 65.9 | 161.7 | 1.2 | 114.1 | | |
| 375 | W | 44.7 | Very low | 46.2 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 67% | 0.674 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.4 | -32.6 | 179.3 | -104.1 | 77.6 | 0 | 0 | 0 | 112.7 | S373 K379 | S373-W375 VanDerWaalsContact C-N 3.33Å; S373-W375 PolarHBondContact O-N 2.91Å; W375-K379 WeakPolarHBondContact O-CG 3.31Å; W375-K379 PolarHBondContact O-N 2.8Å |
| 376 | N | 47 | Very low | 46.9 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.9 | -37.2 | 176.7 | -80.4 | -3.7 | 0 | 0 | 0 | 112.5 | L378 K379 C380 | N376-L378 PolarHBondContact O-N 2.73Å; N376-K379 PolarHBondContact O-N 3.27Å; N376-C380 PolarHBondContact O-N 2.65Å; N376-C380 VanDerWaalsContact O-N 3.11Å; N376-C380 PolarHBondContact O-SG 2.68Å |
| 377 | V | 47.1 | Very low | 46.8 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 62% | 0.624 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -66.6 | -37.7 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 112 | C380 W381 | V377-C380 PolarHBondContact O-N 3.5Å; V377-W381 PolarHBondContact O-N 2.9Å |
| 378 | L | 50 | Low | 47 | Very low | 101 Ų | 101 | 138 Ų | 138 | 53% | 0.529 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -67.4 | -37.1 | 176.3 | -82.6 | 157.6 | 0 | 0 | 0 | 112 | N376 W381 D382 | N376-L378 PolarHBondContact O-N 2.73Å; L378-W381 PolarHBondContact O-N 2.8Å; L378-D382 PolarHBondContact O-N 2.98Å |
| 379 | K | 51.3 | Low | 46.9 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 54% | 0.535 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -66.2 | -35.6 | 175.2 | -75.1 | -83 | -174.8 | 172.2 | 0 | 113 | W375 N376 I383 | W375-K379 WeakPolarHBondContact O-CG 3.31Å; W375-K379 PolarHBondContact O-N 2.8Å; N376-K379 PolarHBondContact O-N 3.27Å; K379-I383 WeakPolarHBondContact O-CD1 3.28Å; K379-I383 VanDerWaalsContact O-CG1 3.31Å; K379-I383 WeakPolarHBondContact O-CG1 3.46Å; K379-I383 PolarHBondContact O-N 2.73Å |
| 380 | C | 46.7 | Very low | 47 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 53% | 0.534 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -71.7 | -30.8 | 177.4 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | N376 V377 I383 F384 | N376-C380 PolarHBondContact O-N 2.65Å; N376-C380 VanDerWaalsContact O-N 3.11Å; N376-C380 PolarHBondContact O-SG 2.68Å; V377-C380 PolarHBondContact O-N 3.5Å; C380-I383 PolarHBondContact O-N 3.02Å; C380-F384 PolarHBondContact O-N 3.42Å |
| 381 | W | 44.2 | Very low | 47.1 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 72% | 0.716 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -78.2 | -30.5 | 179.4 | -138 | 44.5 | 0 | 0 | 0 | 112.9 | V377 L378 I383 F384 N385 | V377-W381 PolarHBondContact O-N 2.9Å; L378-W381 PolarHBondContact O-N 2.8Å; W381-I383 VanDerWaalsContact C-N 3.26Å; W381-I383 PolarHBondContact O-N 3.07Å; W381-F384 PolarHBondContact O-N 3.08Å; W381-N385 PolarHBondContact O-N 3.47Å; W381-N385 PolarHBondContact O-ND2 3.45Å |
| 382 | D | 45.7 | Very low | 46.9 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 56% | 0.556 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.5 | -26.6 | 171.3 | -71.9 | -20.7 | 0 | 0 | 0 | 112.4 | L378 | L378-D382 PolarHBondContact O-N 2.98Å |
| 383 | I | 51.4 | Low | 46.8 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 55% | 0.549 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -77.2 | -33.5 | 176.3 | -65.3 | 164.9 | 0 | 0 | 0 | 111.3 | K379 C380 W381 N385 I386 | K379-I383 WeakPolarHBondContact O-CD1 3.28Å; K379-I383 VanDerWaalsContact O-CG1 3.31Å; K379-I383 WeakPolarHBondContact O-CG1 3.46Å; K379-I383 PolarHBondContact O-N 2.73Å; C380-I383 PolarHBondContact O-N 3.02Å; W381-I383 VanDerWaalsContact C-N 3.26Å; W381-I383 PolarHBondContact O-N 3.07Å; I383-N385 VanDerWaalsContact C-N 3.33Å; I383-N385 PolarHBondContact O-N 3.18Å; I383-I386 PolarHBondContact O-N 3.02Å |
| 384 | F | 46.7 | Very low | 46.8 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 69% | 0.689 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.2 | -19.2 | 179.3 | -108.9 | -84.4 | 0 | 0 | 0 | 114.3 | C380 W381 I386 | C380-F384 PolarHBondContact O-N 3.42Å; W381-F384 PolarHBondContact O-N 3.08Å; F384-I386 VanDerWaalsContact C-N 3.29Å |
| 385 | N | 44.1 | Very low | 47.2 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 4.1 | 177.6 | -78 | -69.2 | 0 | 0 | 0 | 113.7 | W381 I383 | W381-N385 PolarHBondContact O-N 3.47Å; W381-N385 PolarHBondContact O-ND2 3.45Å; I383-N385 VanDerWaalsContact C-N 3.33Å; I383-N385 PolarHBondContact O-N 3.18Å |
| 386 | I | 52.7 | Low | 47.4 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 74% | 0.744 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -13.1 | 176.1 | -61.8 | 173.2 | 0 | 0 | 0 | 111.4 | I383 F384 | I383-I386 PolarHBondContact O-N 3.02Å; F384-I386 VanDerWaalsContact C-N 3.29Å |
| 387 | F | 41.8 | Very low | 47.4 | Very low | 231 Ų | 231 | 132.5 Ų | 132.5 | 100% | 1.013 | 65% | 0.648 | S | S | * | * | | | trans | -93.5 | 0 | 164.2 | -70.8 | -84.8 | 0 | 0 | 0 | 109.5 | | |