| 1 | M | 39.1 | Very low | 44.8 | Very low | 242 Ų | 242 | 167.3 Ų | 167.3 | 100% | 1.192 | 85% | 0.85 | S | S | * | * | | | | 0 | 124.4 | 0 | -70.6 | 159.6 | 169 | 0 | 0 | 105.8 | | |
| 2 | E | 41.8 | Very low | 44.8 | Very low | 175 Ų | 175 | 167.5 Ų | 167.5 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | | | cis | -117.9 | 163.5 | 0.1 | -63.3 | 147.9 | 120.5 | 0 | 0 | 110.5 | | |
| 3 | F | 52.9 | Low | 45 | Very low | 221 Ų | 221 | 169.5 Ų | 169.5 | 97% | 0.969 | 85% | 0.853 | S | S | * | * | | | trans | -156.5 | 127.2 | 138.2 | -103.5 | -67.4 | 0 | 0 | 0 | 107.6 | | |
| 4 | E | 47.5 | Very low | 45.1 | Very low | 156 Ų | 156 | 170.6 Ų | 170.6 | 73% | 0.729 | 85% | 0.849 | S | S | * | * | | | trans | -103 | 170.2 | -164.4 | -154.2 | -156.7 | 127.6 | 0 | 0 | 112.1 | | |
| 5 | K | 51.3 | Low | 44.8 | Very low | 173 Ų | 173 | 169.1 Ų | 169.1 | 75% | 0.752 | 85% | 0.845 | S | S | * | * | | | trans | 77.3 | 90.6 | 165.1 | -54 | -161.7 | 175.1 | -174.4 | 0 | 117.7 | | |
| 6 | H | 45.9 | Very low | 44.9 | Very low | 194 Ų | 194 | 169.5 Ų | 169.5 | 90% | 0.898 | 84% | 0.844 | S | S | * | * | | | trans | -70.2 | 134.1 | 151 | -87.1 | -124.8 | 0 | 0 | 0 | 111.5 | | |
| 7 | E | 43.3 | Very low | 44.7 | Very low | 184 Ų | 184 | 169.2 Ų | 169.2 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | | | trans | -156.7 | 94.5 | 149.6 | -164.3 | 169.1 | 179.4 | 0 | 0 | 106.4 | | |
| 8 | Q | 44.8 | Very low | 44.5 | Very low | 182 Ų | 182 | 170.1 Ų | 170.1 | 85% | 0.85 | 84% | 0.843 | S | S | * | * | | | | 77 | 108.1 | 64 | -163.8 | 171.1 | 59.3 | 0 | 0 | 112.5 | | |
| 9 | G | 42.1 | Very low | 44.6 | Very low | 74 Ų | 74 | 167.2 Ų | 167.2 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | trans | 176.9 | 59.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A11 | G9-A11 PolarHBondContact O-N 3.41Š|
| 10 | N | 42.2 | Very low | 44.5 | Very low | 156 Ų | 156 | 167.9 Ų | 167.9 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | | | trans | -37.2 | 126.5 | 162.7 | -80.6 | -41.8 | 0 | 0 | 0 | 111.9 | | |
| 11 | A | 41.9 | Very low | 44.4 | Very low | 83 Ų | 83 | 166.4 Ų | 166.4 | 69% | 0.686 | 81% | 0.814 | S | S | * | * | | | | 69.9 | 114.2 | 68.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G9 | G9-A11 PolarHBondContact O-N 3.41Š|
| 12 | L | 44.9 | Very low | 44.5 | Very low | 170 Ų | 170 | 159.9 Ų | 159.9 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | -164.9 | 135.1 | 137.9 | -108.1 | 167.1 | 0 | 0 | 0 | 111.4 | | |
| 13 | K | 46.7 | Very low | 44.2 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -83.7 | 143.3 | 174.4 | -58.3 | 172.1 | -179.6 | 175.6 | 0 | 110.3 | | |
| 14 | K | 47.7 | Very low | 43.6 | Very low | 184 Ų | 184 | 155 Ų | 155 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | trans | -176.7 | 148.3 | 144.9 | -103.7 | 147.3 | -171.1 | 174.1 | 0 | 112.4 | | |
| 15 | N | 40.6 | Very low | 43.4 | Very low | 149 Ų | 149 | 155.3 Ų | 155.3 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | 59.7 | 100 | 166.3 | -41.1 | -19.2 | 0 | 0 | 0 | 114 | | |
| 16 | E | 46.3 | Very low | 42.9 | Very low | 175 Ų | 175 | 156.3 Ų | 156.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | cis | 65.5 | 98.1 | 46 | -164.8 | 166.3 | -172.5 | 0 | 0 | 115.2 | | |
| 17 | K | 40.8 | Very low | 42.8 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | 57.3 | 96.7 | 137 | -165.3 | -174.8 | -179.7 | -175.7 | 0 | 119.2 | | |
| 18 | L | 41 | Very low | 42.6 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 97% | 0.969 | 75% | 0.749 | S | S | * | * | | | trans | -125 | 104 | 136.3 | -88.3 | 169.9 | 0 | 0 | 0 | 108.8 | | |
| 19 | E | 46.7 | Very low | 42.7 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 54% | 0.542 | 74% | 0.74 | S | S | . | * | | | trans | -95.3 | 110.9 | 171 | -177.7 | -172.1 | 148.6 | 0 | 0 | 106.6 | R21 | E19-R21 VanDerWaalsContact C-N 3.25Å; E19-R21 HydrophobicContact CG-CG 4.32Å; E19-R21 PolarHBondContact O-N 3.38Å; E19-R21 IonicContact OE1-CZ 3.22Å; E19-R21 VanDerWaalsContact OE1-CZ 3.22Å; E19-R21 IonicContact OE1-NE 2.78Å; E19-R21 PolarHBondContact OE1-NE 3.37Å; E19-R21 IonicContact OE1-NH2 2.65Å; E19-R21 PolarHBondContact OE1-NH2 3.49Å |
| 20 | E | 42.9 | Very low | 42.8 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | | | trans | -73.6 | 75 | -172 | -165 | -176.1 | 156 | 0 | 0 | 112 | V22 | E20-V22 VanDerWaalsContact C-N 3.35Å; E20-V22 HydrophobicContact CG-CG2 4.19Å; E20-V22 PolarHBondContact O-N 3.3Å; E20-V22 VanDerWaalsContact O-N 3.07Å |
| 21 | R | 41.4 | Very low | 42.9 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 52% | 0.521 | 74% | 0.737 | S | S | . | * | | | trans | -78.6 | 83.2 | 171.3 | -69.1 | -173.5 | 175.2 | -123.2 | -11.2 | 109.9 | E19 T23 H362 | E19-R21 VanDerWaalsContact C-N 3.25Å; E19-R21 HydrophobicContact CG-CG 4.32Å; E19-R21 PolarHBondContact O-N 3.38Å; E19-R21 IonicContact OE1-CZ 3.22Å; E19-R21 VanDerWaalsContact OE1-CZ 3.22Å; E19-R21 IonicContact OE1-NE 2.78Å; E19-R21 PolarHBondContact OE1-NE 3.37Å; E19-R21 IonicContact OE1-NH2 2.65Å; E19-R21 PolarHBondContact OE1-NH2 3.49Å; R21-T23 PolarHBondContact O-N 3Å; R21-T23 PolarHBondContact O-OG1 2.82Å; R21-H362 PolarHBondContact NH1-NE2 2.68Å; R21-H362 PolarHBondContact NH2-NE2 2.9Å |
| 22 | V | 40.9 | Very low | 43 | Very low | 104 Ų | 104 | 153.2 Ų | 153.2 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | | | trans | -60.9 | 90.4 | 164.5 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | E20 F24 | E20-V22 VanDerWaalsContact C-N 3.35Å; E20-V22 HydrophobicContact CG-CG2 4.19Å; E20-V22 PolarHBondContact O-N 3.3Å; E20-V22 VanDerWaalsContact O-N 3.07Å; V22-F24 HydrophobicContact CG1-CD2 4.4Å |
| 23 | T | 37.2 | Very low | 42.9 | Very low | 102 Ų | 102 | 150.2 Ų | 150.2 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | | | trans | -97.4 | 103.1 | -176 | -52.9 | 0 | 0 | 0 | 0 | 106.6 | R21 E25 | R21-T23 PolarHBondContact O-N 3Å; R21-T23 PolarHBondContact O-OG1 2.82Å; T23-E25 HydrophobicContact CG2-CG 4.17Å; T23-E25 PolarHBondContact O-N 3.28Å |
| 24 | F | 38.9 | Very low | 42.5 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | | | trans | -74.6 | 78.2 | 178 | -119.7 | -87.5 | 0 | 0 | 0 | 109.4 | V22 Y26 | V22-F24 HydrophobicContact CG1-CD2 4.4Å; F24-Y26 PolarHBondContact O-N 2.97Å |
| 25 | E | 43.1 | Very low | 42.1 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | | | trans | -73.1 | 112.4 | 166.1 | -70.5 | -156.2 | 141.1 | 0 | 0 | 108.9 | T23 S27 | T23-E25 HydrophobicContact CG2-CG 4.17Å; T23-E25 PolarHBondContact O-N 3.28Å; E25-S27 PolarHBondContact O-N 3.2Å; E25-S27 VanDerWaalsContact O-N 3.08Å |
| 26 | Y | 41.1 | Very low | 42 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | | | trans | -77 | 91.9 | 172.5 | -164.2 | -91.1 | 0 | 0 | 0 | 108.2 | F24 D28 | F24-Y26 PolarHBondContact O-N 2.97Å; Y26-D28 VanDerWaalsContact CE1-OD1 3.28Å; Y26-D28 WeakPolarHBondContact CE1-OD1 3.26Å; Y26-D28 PolarHBondContact O-N 3.21Å |
| 27 | S | 44.4 | Very low | 42 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 54% | 0.538 | 72% | 0.722 | S | S | . | * | | | trans | -92.8 | 88.3 | -171.1 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | E25 H29 | E25-S27 PolarHBondContact O-N 3.2Å; E25-S27 VanDerWaalsContact O-N 3.08Å; S27-H29 PolarHBondContact O-N 2.79Å |
| 28 | D | 39.1 | Very low | 42 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | | | trans | -66 | 88.1 | 174.9 | -72.4 | -49.3 | 0 | 0 | 0 | 111.7 | Y26 | Y26-D28 VanDerWaalsContact CE1-OD1 3.28Å; Y26-D28 WeakPolarHBondContact CE1-OD1 3.26Å; Y26-D28 PolarHBondContact O-N 3.21Å |
| 29 | H | 46.8 | Very low | 42.1 | Very low | 145 Ų | 145 | 142 Ų | 142 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | | | trans | -163.2 | 78.1 | 166.2 | 31.5 | -88.5 | 0 | 0 | 0 | 113 | S27 T31 | S27-H29 PolarHBondContact O-N 2.79Å; H29-T31 PolarHBondContact O-N 2.78Å |
| 30 | M | 45.1 | Very low | 41.8 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | | | trans | -88.2 | 89.9 | 159.6 | -93.8 | 164.4 | 53.6 | 0 | 0 | 109.8 | F32 | M30-F32 HydrophobicContact CE-CE2 4.06Å; M30-F32 HydrophobicContact CE-CZ 3.87Å |
| 31 | T | 43.4 | Very low | 41.8 | Very low | 118 Ų | 118 | 144 Ų | 144 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | | | trans | -93.6 | 114.3 | 169.9 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | H29 S33 | H29-T31 PolarHBondContact O-N 2.78Å; T31-S33 PolarHBondContact O-N 3.02Å |
| 32 | F | 44.2 | Very low | 41.6 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 77% | 0.768 | 73% | 0.731 | S | S | * | * | | | trans | -80.6 | 95.9 | 178.1 | -74.2 | -85.3 | 0 | 0 | 0 | 111.4 | M30 C34 | M30-F32 HydrophobicContact CE-CE2 4.06Å; M30-F32 HydrophobicContact CE-CZ 3.87Å; F32-C34 PolarHBondContact O-N 3.49Å |
| 33 | S | 42.1 | Very low | 41.8 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | -83.7 | 95.2 | 171.6 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | T31 E35 | T31-S33 PolarHBondContact O-N 3.02Å; S33-E35 PolarHBondContact O-N 3.03Å; S33-E35 VanDerWaalsContact O-N 3.1Å |
| 34 | C | 38.5 | Very low | 42 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | | | trans | -77.6 | 89.4 | 170.5 | -168.5 | 0 | 0 | 0 | 0 | 110.1 | F32 S36 | F32-C34 PolarHBondContact O-N 3.49Å; C34-S36 PolarHBondContact O-N 2.79Å |
| 35 | E | 39.2 | Very low | 42.3 | Very low | 143 Ų | 143 | 151.9 Ų | 151.9 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | | | trans | -90.3 | 87.5 | -179.9 | -160.9 | -174.7 | -168.4 | 0 | 0 | 111.4 | S33 K37 | S33-E35 PolarHBondContact O-N 3.03Å; S33-E35 VanDerWaalsContact O-N 3.1Å; E35-K37 PolarHBondContact O-N 3.42Å; E35-K37 WeakPolarHBondContact OE1-CE 3.23Å; E35-K37 IonicContact OE1-NZ 2.68Å; E35-K37 PolarHBondContact OE1-NZ 2.79Å; E35-K37 IonicContact OE2-NZ 2.79Å; E35-K37 PolarHBondContact OE2-NZ 3.04Å; E35-K37 VanDerWaalsContact OE2-NZ 3.08Å |
| 36 | S | 38.1 | Very low | 42.5 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | trans | -72.1 | 104.6 | 172.8 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | C34 | C34-S36 PolarHBondContact O-N 2.79Š|
| 37 | K | 46.9 | Very low | 42.2 | Very low | 157 Ų | 157 | 151.5 Ų | 151.5 | 68% | 0.683 | 75% | 0.753 | S | S | * | * | | | trans | -98.6 | 118 | 172 | -91.5 | 168.1 | 173.6 | 142.4 | 0 | 111.5 | E35 E39 | E35-K37 PolarHBondContact O-N 3.42Å; E35-K37 WeakPolarHBondContact OE1-CE 3.23Å; E35-K37 IonicContact OE1-NZ 2.68Å; E35-K37 PolarHBondContact OE1-NZ 2.79Å; E35-K37 IonicContact OE2-NZ 2.79Å; E35-K37 PolarHBondContact OE2-NZ 3.04Å; E35-K37 VanDerWaalsContact OE2-NZ 3.08Å; K37-E39 PolarHBondContact O-N 3.11Å |
| 38 | E | 41.2 | Very low | 42.5 | Very low | 148 Ų | 148 | 152.2 Ų | 152.2 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | | | trans | -76.1 | 93.4 | 176.8 | 179.7 | -170.7 | 156.6 | 0 | 0 | 110 | R40 | E38-R40 IonicContact OE1-CZ 3.08Å; E38-R40 IonicContact OE1-NH1 2.65Å; E38-R40 PolarHBondContact OE1-NH1 2.99Å; E38-R40 IonicContact OE1-NH2 2.67Å; E38-R40 PolarHBondContact OE1-NH2 2.8Å |
| 39 | E | 42.8 | Very low | 42.4 | Very low | 189 Ų | 189 | 150.9 Ų | 150.9 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | | | trans | -101.3 | 114.7 | 169 | -167.5 | 156 | -153.4 | 0 | 0 | 109.5 | K37 | K37-E39 PolarHBondContact O-N 3.11Š|
| 40 | R | 39.5 | Very low | 42.1 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | | | trans | -82.1 | 135.4 | 173.6 | -68 | 171.8 | 174.6 | 64 | 12.9 | 108.5 | E38 | E38-R40 IonicContact OE1-CZ 3.08Å; E38-R40 IonicContact OE1-NH1 2.65Å; E38-R40 PolarHBondContact OE1-NH1 2.99Å; E38-R40 IonicContact OE1-NH2 2.67Å; E38-R40 PolarHBondContact OE1-NH2 2.8Å |
| 41 | D | 43 | Very low | 42.2 | Very low | 160 Ų | 160 | 151.7 Ų | 151.7 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | -147.4 | 140 | 146.9 | -133.2 | -19.9 | 0 | 0 | 0 | 111.5 | | |
| 42 | Q | 38.2 | Very low | 42.2 | Very low | 147 Ų | 147 | 151 Ų | 151 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | trans | -80.8 | 125.3 | -173.4 | -102 | 83.3 | 21.3 | 0 | 0 | 112.2 | | |
| 43 | R | 44.4 | Very low | 42 | Very low | 250 Ų | 250 | 146.2 Ų | 146.2 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | | | trans | -134.3 | 127.6 | 136.9 | -71.6 | -160.4 | -161.8 | -89.9 | 0.6 | 111.1 | | |
| 44 | I | 41.5 | Very low | 42.2 | Very low | 131 Ų | 131 | 150 Ų | 150 | 67% | 0.672 | 77% | 0.772 | S | S | * | * | | | trans | -95.2 | 134.9 | 178.4 | -63.2 | 158.1 | 0 | 0 | 0 | 108.1 | | |
| 45 | L | 45.5 | Very low | 42 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | | | trans | -154.5 | 128.6 | 143.6 | -161 | 64.4 | 0 | 0 | 0 | 109.8 | | |
| 46 | D | 47 | Very low | 42.1 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 67% | 0.674 | 78% | 0.782 | S | S | * | * | | | trans | -95 | 145.4 | -166.4 | -44.2 | -95.1 | 0 | 0 | 0 | 113.3 | | |
| 47 | Y | 36 | Very low | 42.4 | Very low | 223 Ų | 223 | 154.3 Ų | 154.3 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | | | | -164.8 | 151.8 | 114.3 | -133.4 | -124.6 | 0 | 0 | 0 | 112.5 | | |
| 48 | P | 49.2 | Very low | 42 | Very low | 93 Ų | 93 | 158.2 Ų | 158.2 | 60% | 0.604 | 80% | 0.796 | S | S | * | * | | | trans | -87.5 | 149.7 | -167.9 | 34.1 | -30.8 | 0 | 0 | 0 | 113.5 | | |
| 49 | S | 37.8 | Very low | 42.2 | Very low | 102 Ų | 102 | 159.2 Ų | 159.2 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | | | | 57 | 115.1 | 76.7 | -178.7 | 0 | 0 | 0 | 0 | 115 | | |
| 50 | E | 40.8 | Very low | 42.2 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | | 177.2 | 179.9 | 116 | -97.1 | -172.8 | -163.8 | 0 | 0 | 112.6 | | |
| 51 | V | 46.2 | Very low | 42.6 | Very low | 145 Ų | 145 | 157.7 Ų | 157.7 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | 79.7 | 130.9 | 177.8 | -172.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 52 | S | 43.4 | Very low | 42.8 | Very low | 105 Ų | 105 | 156.5 Ų | 156.5 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | cis | -168.7 | 106.1 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 53 | G | 41.1 | Very low | 43.3 | Very low | 74 Ų | 74 | 156.1 Ų | 156.1 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | | | trans | 67.4 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 54 | K | 45.2 | Very low | 44 | Very low | 187 Ų | 187 | 153.4 Ų | 153.4 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | cis | -140.5 | 134.2 | 5.2 | -60.7 | 171 | -172.1 | 170.6 | 0 | 110.6 | | |
| 55 | N | 34.8 | Very low | 44.6 | Very low | 164 Ų | 164 | 155.1 Ų | 155.1 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | 44.6 | 90.8 | 143.4 | -47.5 | 7.3 | 0 | 0 | 0 | 117.7 | | |
| 56 | S | 42.5 | Very low | 45.1 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -137.2 | 148.9 | 148 | -168.4 | 0 | 0 | 0 | 0 | 110.6 | R58 | S56-R58 PolarHBondContact O-N 3.32Š|
| 57 | Q | 44.2 | Very low | 46 | Very low | 185 Ų | 185 | 154.8 Ų | 154.8 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -80.5 | 116.8 | -165.8 | -165.6 | 172.7 | 14.2 | 0 | 0 | 110.6 | K59 | Q57-K59 VanDerWaalsContact C-N 3.26Å; Q57-K59 PolarHBondContact O-N 2.95Å |
| 58 | R | 38.6 | Very low | 47.6 | Very low | 239 Ų | 239 | 147 Ų | 147 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | -67.4 | 80.7 | 177.1 | -172.6 | -177.9 | -176 | 173.9 | 1.6 | 110.5 | S56 E60 | S56-R58 PolarHBondContact O-N 3.32Å; R58-E60 PolarHBondContact O-N 3.27Å |
| 59 | K | 44.5 | Very low | 48.8 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 74% | 0.735 | 79% | 0.787 | S | S | * | * | | | trans | -71.8 | 115.6 | 170.8 | -168.2 | 173.7 | -176 | 179.2 | 0 | 108.2 | Q57 F61 | Q57-K59 VanDerWaalsContact C-N 3.26Å; Q57-K59 PolarHBondContact O-N 2.95Å; K59-F61 VanDerWaalsContact O-CD2 3.27Å; K59-F61 WeakPolarHBondContact O-CD2 3.29Å; K59-F61 PolarHBondContact O-N 3.09Å; K59-F61 VanDerWaalsContact O-N 3.1Å |
| 60 | E | 44 | Very low | 50.5 | Low | 153 Ų | 153 | 150.5 Ų | 150.5 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | | | trans | -72.2 | 102.8 | -178.6 | -169 | 161.3 | -121 | 0 | 0 | 109.9 | R58 N62 | R58-E60 PolarHBondContact O-N 3.27Å; E60-N62 PolarHBondContact O-N 2.92Å; E60-N62 PolarHBondContact O-ND2 3.49Å |
| 61 | F | 46.7 | Very low | 52 | Low | 182 Ų | 182 | 152.9 Ų | 152.9 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | trans | -67.4 | 95.6 | 175.4 | -67.4 | -88.1 | 0 | 0 | 0 | 108.7 | K59 T63 | K59-F61 VanDerWaalsContact O-CD2 3.27Å; K59-F61 WeakPolarHBondContact O-CD2 3.29Å; K59-F61 PolarHBondContact O-N 3.09Å; K59-F61 VanDerWaalsContact O-N 3.1Å; F61-T63 PolarHBondContact O-N 3.45Å |
| 62 | N | 47.5 | Very low | 53.3 | Low | 134 Ų | 134 | 149 Ų | 149 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | | | trans | -62.1 | 103.3 | 172 | -89.4 | -109.1 | 0 | 0 | 0 | 108.4 | E60 K64 | E60-N62 PolarHBondContact O-N 2.92Å; E60-N62 PolarHBondContact O-ND2 3.49Å; N62-K64 PolarHBondContact O-N 3.07Å |
| 63 | T | 48.3 | Very low | 55 | Low | 139 Ų | 139 | 148.2 Ų | 148.2 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | | | trans | -60.7 | 97.8 | 173.1 | -45.8 | 0 | 0 | 0 | 0 | 108.3 | F61 E65 | F61-T63 PolarHBondContact O-N 3.45Å; T63-E65 PolarHBondContact O-N 2.96Å |
| 64 | K | 58.8 | Low | 56.8 | Low | 193 Ų | 193 | 152.7 Ų | 152.7 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -69.4 | 105.6 | 176.1 | -73.1 | -169.6 | 176.1 | -175.4 | 0 | 108.4 | N62 | N62-K64 PolarHBondContact O-N 3.07Š|
| 65 | E | 54.2 | Low | 58.1 | Low | 167 Ų | 167 | 151.3 Ų | 151.3 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | | | trans | -47.9 | 130.4 | 164.2 | -174.5 | 178.3 | -162.2 | 0 | 0 | 108.9 | T63 Q67 | T63-E65 PolarHBondContact O-N 2.96Å; E65-Q67 PolarHBondContact O-N 2.78Å |
| 66 | P | 57.2 | Low | 60 | Low | 120 Ų | 120 | 151.7 Ų | 151.7 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -63.8 | 110.1 | -178.9 | 25.7 | -33.3 | 0 | 0 | 0 | 108.8 | G68 | P66-G68 PolarHBondContact O-N 2.98Š|
| 67 | Q | 65.8 | Low | 61.5 | Low | 173 Ų | 173 | 148.3 Ų | 148.3 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | | | trans | -63 | 109.2 | -169.8 | -173.8 | 160.8 | 6 | 0 | 0 | 110.5 | E65 M69 | E65-Q67 PolarHBondContact O-N 2.78Å; Q67-M69 PolarHBondContact O-N 2.94Å |
| 68 | G | 68.8 | Low | 62.5 | Low | 59 Ų | 59 | 145.8 Ų | 145.8 | 61% | 0.608 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 133.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P66 Q70 | P66-G68 PolarHBondContact O-N 2.98Å; G68-Q70 PolarHBondContact O-N 3.17Å |
| 69 | M | 73.9 | Confident | 64.3 | Low | 131 Ų | 131 | 143.3 Ų | 143.3 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 124.9 | -176.8 | -65.2 | 174.7 | 66.7 | 0 | 0 | 111.1 | Q67 F75 | Q67-M69 PolarHBondContact O-N 2.94Å; M69-F75 HydrophobicContact CE-CB 4.05Å; M69-F75 HydrophobicContact CE-CD1 4.4Å |
| 70 | Q | 74.3 | Confident | 65.8 | Low | 139 Ų | 139 | 140.1 Ų | 140.1 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 157.8 | 175.5 | -62 | -161 | -0.8 | 0 | 0 | 111.3 | G68 G72 D73 | G68-Q70 PolarHBondContact O-N 3.17Å; Q70-G72 PolarHBondContact O-N 2.87Å; Q70-D73 PolarHBondContact N-OD2 2.9Å; Q70-D73 PolarHBondContact O-N 3.46Å |
| 71 | K | 72.6 | Confident | 67.2 | Low | 228 Ų | 228 | 140 Ų | 140 | 99% | 0.991 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 75.8 | 178.2 | -172.1 | -178.9 | 178.2 | 173 | 0 | 111.4 | | |
| 72 | G | 72.7 | Confident | 68.8 | Low | 63 Ų | 63 | 138.1 Ų | 138.1 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 156.6 | -14.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q70 L74 | Q70-G72 PolarHBondContact O-N 2.87Å; G72-L74 PolarHBondContact O-N 2.82Å |
| 73 | D | 79.7 | Confident | 70.4 | Confident | 89 Ų | 89 | 137 Ų | 137 | 48% | 0.476 | 71% | 0.708 | S | S | . | * | | | trans | -68.3 | 113.7 | 179.1 | -71 | -23.9 | 0 | 0 | 0 | 111.2 | Q70 F75 | Q70-D73 PolarHBondContact N-OD2 2.9Å; Q70-D73 PolarHBondContact O-N 3.46Å; D73-F75 PolarHBondContact O-N 2.65Å |
| 74 | L | 78.6 | Confident | 71.5 | Confident | 169 Ų | 169 | 136.6 Ų | 136.6 | 89% | 0.885 | 70% | 0.7 | S | S | * | * | | | trans | -73.9 | 105.2 | 170.2 | -100.1 | 65.3 | 0 | 0 | 0 | 108.9 | G72 K76 | G72-L74 PolarHBondContact O-N 2.82Å; L74-K76 PolarHBondContact O-N 2.78Å |
| 75 | F | 72.4 | Confident | 71.9 | Confident | 157 Ų | 157 | 129.4 Ų | 129.4 | 69% | 0.689 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 132.3 | 164.2 | 65.6 | -85.8 | 0 | 0 | 0 | 109.7 | M69 D73 A77 | M69-F75 HydrophobicContact CE-CB 4.05Å; M69-F75 HydrophobicContact CE-CD1 4.4Å; D73-F75 PolarHBondContact O-N 2.65Å; F75-A77 HydrophobicContact CD2-CB 4Å; F75-A77 HydrophobicContact CE2-CB 3.89Å; F75-A77 PolarHBondContact O-N 3.08Å |
| 76 | K | 75.2 | Confident | 72.1 | Confident | 173 Ų | 173 | 129.4 Ų | 129.4 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 119 | 158.7 | -81.2 | -175.8 | 114.8 | -144.2 | 0 | 107.3 | L74 E78 | L74-K76 PolarHBondContact O-N 2.78Å; K76-E78 IonicContact NZ-OE1 3.65Å; K76-E78 PolarHBondContact NZ-OE1 3.08Å |
| 77 | A | 73.3 | Confident | 72 | Confident | 52 Ų | 52 | 127.3 Ų | 127.3 | 43% | 0.43 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -100 | 130.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | F75 Y79 | F75-A77 HydrophobicContact CD2-CB 4Å; F75-A77 HydrophobicContact CE2-CB 3.89Å; F75-A77 PolarHBondContact O-N 3.08Å; A77-Y79 HydrophobicContact CB-CE2 4.05Å |
| 78 | E | 64.7 | Low | 71.5 | Confident | 132 Ų | 132 | 128 Ų | 128 | 62% | 0.617 | 68% | 0.683 | S | S | * | * | | | trans | -113 | 126.6 | 173.7 | -66.8 | 178.6 | -179.7 | 0 | 0 | 107 | K76 | K76-E78 IonicContact NZ-OE1 3.65Å; K76-E78 PolarHBondContact NZ-OE1 3.08Å |
| 79 | Y | 76.7 | Confident | 70.7 | Confident | 188 Ų | 188 | 132.1 Ų | 132.1 | 74% | 0.737 | 69% | 0.691 | S | S | * | * | | | trans | -105.4 | 121.3 | -175.2 | -72.1 | -87.3 | 0 | 0 | 0 | 109.6 | A77 | A77-Y79 HydrophobicContact CB-CE2 4.05Š|
| 80 | V | 77 | Confident | 69.5 | Low | 101 Ų | 101 | 133.5 Ų | 133.5 | 61% | 0.612 | 70% | 0.696 | S | S | * | * | | | trans | -98.7 | 112.8 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | I82 | V80-I82 HydrophobicContact CG1-CG1 4.07Å; V80-I82 PolarHBondContact O-N 3.32Å |
| 81 | F | 72.4 | Confident | 67.9 | Low | 151 Ų | 151 | 130.4 Ų | 130.4 | 66% | 0.662 | 69% | 0.694 | S | S | * | * | | | trans | -88 | 98.8 | 173.3 | -71.9 | -82.6 | 0 | 0 | 0 | 109.9 | V83 | F81-V83 PolarHBondContact O-N 2.91Š|
| 82 | I | 80.6 | Confident | 66.6 | Low | 142 Ų | 142 | 124 Ų | 124 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | | | trans | -83.7 | 106.6 | 168.7 | -54 | 177.9 | 0 | 0 | 0 | 107.4 | V80 | V80-I82 HydrophobicContact CG1-CG1 4.07Å; V80-I82 PolarHBondContact O-N 3.32Å |
| 83 | V | 80.6 | Confident | 64.7 | Low | 111 Ų | 111 | 127.4 Ų | 127.4 | 67% | 0.673 | 69% | 0.687 | S | S | * | * | | | trans | -101.4 | 111.1 | 172.5 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | F81 S85 | F81-V83 PolarHBondContact O-N 2.91Å; V83-S85 PolarHBondContact O-N 2.85Å |
| 84 | D | 72.9 | Confident | 63 | Low | 130 Ų | 130 | 134.6 Ų | 134.6 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | | | trans | -64.5 | 133.6 | 170.9 | -151.2 | -7.6 | 0 | 0 | 0 | 108.8 | D86 | D84-D86 PolarHBondContact O-N 3.26Š|
| 85 | S | 66.1 | Low | 61 | Low | 43 Ų | 43 | 136.2 Ų | 136.2 | 30% | 0.301 | 71% | 0.711 | S | S | . | * | | | trans | -93.8 | 96.3 | -175 | -68.2 | 0 | 0 | 0 | 0 | 109.2 | V83 G87 | V83-S85 PolarHBondContact O-N 2.85Å; S85-G87 PolarHBondContact O-N 3.42Å |
| 86 | D | 59.2 | Low | 59.1 | Low | 166 Ų | 166 | 132 Ų | 132 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | | | trans | -46.2 | 108.7 | 173.4 | -72.4 | -35.4 | 0 | 0 | 0 | 110.3 | D84 E88 | D84-D86 PolarHBondContact O-N 3.26Å; D86-E88 PolarHBondContact O-N 2.98Å |
| 87 | G | 54.9 | Low | 57.3 | Low | 76 Ų | 76 | 133.5 Ų | 133.5 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | | | trans | -74.7 | 109.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S85 D89 | S85-G87 PolarHBondContact O-N 3.42Å; G87-D89 PolarHBondContact O-N 2.85Å |
| 88 | E | 54.4 | Low | 55.5 | Low | 188 Ų | 188 | 140.6 Ų | 140.6 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | | | trans | -73.4 | 102.2 | 171.9 | 58.7 | -169.3 | 148.6 | 0 | 0 | 111.5 | D86 E90 | D86-E88 PolarHBondContact O-N 2.98Å; E88-E90 PolarHBondContact O-N 3.31Å |
| 89 | D | 51.7 | Low | 54.2 | Low | 145 Ų | 145 | 137.5 Ų | 137.5 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | | | trans | -73.1 | 85.2 | 173.7 | -179.4 | 31.6 | 0 | 0 | 0 | 110.7 | G87 A91 | G87-D89 PolarHBondContact O-N 2.85Å; D89-A91 PolarHBondContact O-N 2.79Å |
| 90 | E | 49.7 | Very low | 52.5 | Low | 160 Ų | 160 | 134.7 Ų | 134.7 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -75.9 | 64.3 | 177.9 | -160.8 | -177.9 | -161.7 | 0 | 0 | 112.1 | E88 T92 | E88-E90 PolarHBondContact O-N 3.31Å; E90-T92 HydrophobicContact CG-CG2 4Å; E90-T92 PolarHBondContact O-N 2.98Å |
| 91 | A | 41.5 | Very low | 50.9 | Low | 74 Ų | 74 | 136.4 Ų | 136.4 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | | | trans | -70.6 | 59.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D89 C93 | D89-A91 PolarHBondContact O-N 2.79Å; A91-C93 PolarHBondContact O-N 3.44Å |
| 92 | T | 43.4 | Very low | 49 | Very low | 95 Ų | 95 | 133 Ų | 133 | 58% | 0.583 | 78% | 0.775 | S | S | * | * | | | trans | -101.3 | 64.1 | -177.8 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | E90 R94 | E90-T92 HydrophobicContact CG-CG2 4Å; E90-T92 PolarHBondContact O-N 2.98Å; T92-R94 VanDerWaalsContact C-N 3.35Å; T92-R94 PolarHBondContact O-N 2.87Å |
| 93 | C | 34.2 | Very low | 46.8 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 91% | 0.905 | 78% | 0.781 | S | S | * | * | | | trans | -59.8 | 86.1 | 174.6 | -71.2 | 0 | 0 | 0 | 0 | 113.3 | A91 Q95 | A91-C93 PolarHBondContact O-N 3.44Å; C93-Q95 PolarHBondContact O-N 2.86Å |
| 94 | R | 43.9 | Very low | 44.6 | Very low | 239 Ų | 239 | 133.3 Ų | 133.3 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -83 | 109.2 | 169.6 | -71.3 | -69.2 | -156.6 | -151 | -0.1 | 110.2 | T92 | T92-R94 VanDerWaalsContact C-N 3.35Å; T92-R94 PolarHBondContact O-N 2.87Å |
| 95 | Q | 35.9 | Very low | 42.8 | Very low | 204 Ų | 204 | 129.9 Ų | 129.9 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | | | trans | -61.7 | 132.9 | 172.5 | 177.7 | -176.6 | 72.3 | 0 | 0 | 111.7 | C93 | C93-Q95 PolarHBondContact O-N 2.86Š|
| 96 | G | 33.2 | Very low | 41.5 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | | | trans | -176.4 | 99.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 97 | E | 37.3 | Very low | 40.4 | Very low | 204 Ų | 204 | 134.9 Ų | 134.9 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | | | trans | 57.2 | 167.5 | 162.2 | -70.9 | -173.4 | 99.7 | 0 | 0 | 120.8 | | |
| 98 | Q | 35.5 | Very low | 39.9 | Very low | 200 Ų | 200 | 135.6 Ų | 135.6 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | | | trans | -121.4 | 147.5 | -164.6 | -59.8 | 177.4 | 8.6 | 0 | 0 | 111.9 | | |
| 99 | G | 37.9 | Very low | 39.3 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | | | trans | -148.9 | 146.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 100 | P | 40.8 | Very low | 38.8 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -76.6 | 155.4 | -168.2 | 30.1 | -35.6 | 0 | 0 | 0 | 114.2 | | |
| 101 | P | 42 | Very low | 38.4 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -83.1 | 138.7 | -171.5 | 33 | -35.4 | 0 | 0 | 0 | 113.2 | | |
| 102 | G | 33.9 | Very low | 38.8 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | 176.4 | 55 | 177.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 103 | A | 33.1 | Very low | 38.6 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | | | trans | -159.3 | 117.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G105 | A103-G105 PolarHBondContact O-N 3.09Š|
| 104 | T | 35.7 | Very low | 39.1 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 96% | 0.957 | 82% | 0.824 | S | S | * | * | | | trans | -79.4 | 112 | 166.3 | 42.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 105 | G | 33.7 | Very low | 38.9 | Very low | 58 Ų | 58 | 133.8 Ų | 133.8 | 60% | 0.598 | 81% | 0.814 | S | S | * | * | | | trans | -161.8 | 107.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A103 I107 | A103-G105 PolarHBondContact O-N 3.09Å; G105-I107 PolarHBondContact O-N 3.3Å |
| 106 | N | 38.7 | Very low | 39 | Very low | 167 Ų | 167 | 131 Ų | 131 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | | | trans | -80.7 | 58.2 | 179 | 59.2 | -40.9 | 0 | 0 | 0 | 112 | | |
| 107 | I | 36.3 | Very low | 39.1 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | | | trans | -101.4 | 110.6 | 178.1 | -57.2 | 177.8 | 0 | 0 | 0 | 108.7 | G105 T109 | G105-I107 PolarHBondContact O-N 3.3Å; I107-T109 PolarHBondContact O-N 3.38Å |
| 108 | A | 45.9 | Very low | 39.3 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -63.2 | 127.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | R110 | A108-R110 PolarHBondContact O-N 2.67Š|
| 109 | T | 41.4 | Very low | 39.4 | Very low | 140 Ų | 140 | 124.2 Ų | 124.2 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | -68.4 | 95.6 | -172.6 | -50 | 0 | 0 | 0 | 0 | 111.4 | I107 | I107-T109 PolarHBondContact O-N 3.38Š|
| 110 | R | 39.9 | Very low | 39.4 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 127.5 | 176.3 | -173.3 | -172.9 | -173.6 | -156.1 | 5.4 | 110.8 | A108 K112 | A108-R110 PolarHBondContact O-N 2.67Å; R110-K112 PolarHBondContact O-N 2.86Å |
| 111 | P | 43.1 | Very low | 39.1 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 125.2 | 169.7 | -25.2 | 34.7 | 0 | 0 | 0 | 110.5 | S113 | P111-S113 PolarHBondContact O-N 2.84Š|
| 112 | K | 49.9 | Very low | 38.8 | Very low | 197 Ų | 197 | 124.8 Ų | 124.8 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 131.7 | 170.2 | -69.1 | 173.7 | -177.4 | 170.2 | 0 | 107.5 | R110 L114 | R110-K112 PolarHBondContact O-N 2.86Å; K112-L114 PolarHBondContact O-N 2.86Å; K112-L114 VanDerWaalsContact O-N 3.1Å |
| 113 | S | 38.7 | Very low | 38.7 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -42.7 | 112.7 | -172.1 | 52.4 | 0 | 0 | 0 | 0 | 113 | P111 A115 | P111-S113 PolarHBondContact O-N 2.84Å; S113-A115 PolarHBondContact O-N 3.2Å |
| 114 | L | 43.8 | Very low | 39 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | | | trans | -60.2 | 131.7 | 175.9 | -86.7 | 158.1 | 0 | 0 | 0 | 110.3 | K112 I116 | K112-L114 PolarHBondContact O-N 2.86Å; K112-L114 VanDerWaalsContact O-N 3.1Å; L114-I116 PolarHBondContact O-N 3.1Å; L114-I116 VanDerWaalsContact O-N 3.17Å |
| 115 | A | 39.5 | Very low | 39 | Very low | 83 Ų | 83 | 126.9 Ų | 126.9 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | | | trans | -74.7 | 105.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S113 S117 | S113-A115 PolarHBondContact O-N 3.2Å; A115-S117 PolarHBondContact O-N 2.91Å; A115-S117 PolarHBondContact O-OG 3.4Å; A115-S117 VanDerWaalsContact O-OG 3.04Å |
| 116 | I | 39.6 | Very low | 39.2 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | trans | -62.2 | 94.8 | -178.4 | -52.4 | 174.2 | 0 | 0 | 0 | 110 | L114 S118 | L114-I116 PolarHBondContact O-N 3.1Å; L114-I116 VanDerWaalsContact O-N 3.17Å; I116-S118 PolarHBondContact O-N 3.44Å |
| 117 | S | 34.9 | Very low | 38.8 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -95.9 | 76.6 | -177 | -61.3 | 0 | 0 | 0 | 0 | 109.9 | A115 S119 | A115-S117 PolarHBondContact O-N 2.91Å; A115-S117 PolarHBondContact O-OG 3.4Å; A115-S117 VanDerWaalsContact O-OG 3.04Å; S117-S119 PolarHBondContact O-N 3.41Å |
| 118 | S | 40.3 | Very low | 39 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -70.1 | 94.5 | -178.2 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | I116 L120 | I116-S118 PolarHBondContact O-N 3.44Å; S118-L120 PolarHBondContact O-N 2.87Å |
| 119 | S | 37.3 | Very low | 38.9 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -74.3 | 33.3 | -179.6 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | S117 A121 | S117-S119 PolarHBondContact O-N 3.41Å; S119-A121 PolarHBondContact O-N 2.98Å |
| 120 | L | 39.5 | Very low | 38.6 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -94 | 67.9 | 173.9 | -164.4 | 67.2 | 0 | 0 | 0 | 110.9 | S118 S122 | S118-L120 PolarHBondContact O-N 2.87Å; L120-S122 PolarHBondContact O-N 3.31Å; L120-S122 VanDerWaalsContact O-N 3.08Å |
| 121 | A | 34.1 | Very low | 38.5 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | -73.8 | 93.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S119 D123 | S119-A121 PolarHBondContact O-N 2.98Å; A121-D123 PolarHBondContact O-N 2.67Å; A121-D123 VanDerWaalsContact O-N 3.11Å |
| 122 | S | 36.2 | Very low | 38.5 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | | | trans | -57.4 | 113.9 | 175.1 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | L120 V124 | L120-S122 PolarHBondContact O-N 3.31Å; L120-S122 VanDerWaalsContact O-N 3.08Å; S122-V124 VanDerWaalsContact C-N 3.32Å; S122-V124 PolarHBondContact O-N 3.26Å |
| 123 | D | 30.6 | Very low | 37.8 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | trans | -72 | 81.2 | -176.4 | -174 | 22.2 | 0 | 0 | 0 | 112 | A121 V125 | A121-D123 PolarHBondContact O-N 2.67Å; A121-D123 VanDerWaalsContact O-N 3.11Å; D123-V125 WeakPolarHBondContact OD1-CG2 3.5Å |
| 124 | V | 39.1 | Very low | 38.1 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -113.7 | 75.3 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 109 | S122 R126 | S122-V124 VanDerWaalsContact C-N 3.32Å; S122-V124 PolarHBondContact O-N 3.26Å; V124-R126 PolarHBondContact O-N 3.19Å |
| 125 | V | 37.6 | Very low | 37.9 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | | | trans | -57.9 | 106.3 | 173.8 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | D123 P127 | D123-V125 WeakPolarHBondContact OD1-CG2 3.5Å; V125-P127 WeakPolarHBondContact O-CD 3.27Å |
| 126 | R | 35.8 | Very low | 37.8 | Very low | 225 Ų | 225 | 138.5 Ų | 138.5 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | | | trans | -65.7 | 124.5 | 170.6 | -77.9 | -174.4 | 167.7 | 110.9 | -4.9 | 110.2 | V124 K128 | V124-R126 PolarHBondContact O-N 3.19Å; R126-K128 PolarHBondContact O-N 3.34Å; R126-K128 VanDerWaalsContact O-N 3.16Å |
| 127 | P | 31.9 | Very low | 37.6 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | trans | -68.6 | 112.2 | 174 | -18.4 | 32.1 | 0 | 0 | 0 | 111.2 | V125 | V125-P127 WeakPolarHBondContact O-CD 3.27Š|
| 128 | K | 39.5 | Very low | 37.7 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 125 | 169.6 | -169.4 | 76 | 174.8 | -172.4 | 0 | 109.1 | R126 | R126-K128 PolarHBondContact O-N 3.34Å; R126-K128 VanDerWaalsContact O-N 3.16Å |
| 129 | V | 44.8 | Very low | 37.4 | Very low | 135 Ų | 135 | 140 Ų | 140 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74 | 146.8 | -176.5 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 130 | R | 35.3 | Very low | 37.7 | Very low | 240 Ų | 240 | 139.6 Ų | 139.6 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 144 | -176.7 | -176.7 | -177.6 | -63.5 | -169.8 | -0.2 | 114.6 | | |
| 131 | G | 38 | Very low | 37.7 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -154.9 | 48.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 132 | V | 42.9 | Very low | 38.1 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | | | trans | 71.6 | 153.4 | 163.6 | -168.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 133 | D | 34.1 | Very low | 38.7 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | | | trans | -120.3 | 157.3 | -172.5 | 163.4 | 45.2 | 0 | 0 | 0 | 110.7 | | |
| 134 | V | 45 | Very low | 39.3 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -178.8 | 112.6 | 141.7 | 151.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 135 | K | 39.8 | Very low | 39.6 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | | | trans | 18.9 | 150.3 | 133.4 | -66.4 | -172.6 | 176.7 | -179.3 | 0 | 120.5 | | |
| 136 | V | 36.9 | Very low | 40.4 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | cis | -160.8 | -177.1 | 8.5 | 110.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 137 | S | 35.5 | Very low | 40.8 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | | | trans | -64 | 178.4 | 176.6 | 62.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 138 | S | 37.4 | Very low | 41.6 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | cis | -163.9 | 163.8 | 24.8 | -19.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 139 | H | 35.1 | Very low | 41.6 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | -80.2 | 176.7 | 159.6 | -98.5 | -59.2 | 0 | 0 | 0 | 111.4 | | |
| 140 | P | 43.3 | Very low | 41.5 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | cis | -142.8 | -152.3 | 21.9 | 45.2 | -24 | 0 | 0 | 0 | 116.1 | | |
| 141 | E | 39.8 | Very low | 41.6 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | 115.7 | 161.8 | 153.5 | -149 | 144.4 | -155.2 | 0 | 0 | 118.6 | | |
| 142 | I | 41.4 | Very low | 41.6 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | -161.6 | -162.3 | -150.1 | 28.9 | 164.3 | 0 | 0 | 0 | 109 | | |
| 143 | P | 48.9 | Very low | 41 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 55% | 0.545 | 76% | 0.758 | S | S | . | * | | | cis | -138.3 | -169.3 | -1 | 19.3 | 10.5 | 0 | 0 | 0 | 116.8 | | |
| 144 | H | 42.5 | Very low | 41.1 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | 77.6 | 135.4 | 165.7 | -43.4 | -65.1 | 0 | 0 | 0 | 117.8 | | |
| 145 | G | 45.7 | Very low | 40.4 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | cis | -169.8 | -147.2 | -1.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 146 | I | 55.3 | Low | 40.3 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | cis | -155.5 | 146.4 | -4.7 | -49.4 | 172.8 | 0 | 0 | 0 | 108.5 | | |
| 147 | A | 43 | Very low | 40.2 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | 69.2 | 151.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 148 | P | 48.7 | Very low | 40.3 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -140 | -170.9 | -159.4 | 38.8 | -15.5 | 0 | 0 | 0 | 117.6 | | |
| 149 | Q | 41.3 | Very low | 40.1 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | | | trans | 76.4 | 153.2 | 172.1 | -50.5 | -64.1 | -11.9 | 0 | 0 | 115.3 | | |
| 150 | Q | 41.3 | Very low | 40.1 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | cis | -151.8 | 146 | 9.6 | -149.7 | 170.5 | -96.9 | 0 | 0 | 113.8 | | |
| 151 | K | 38.7 | Very low | 39.9 | Very low | 178 Ų | 178 | 139 Ų | 139 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | | | trans | 43.2 | 135.9 | 150.1 | -78.7 | -85 | -174.1 | 168.2 | 0 | 123.1 | | |
| 152 | H | 36.9 | Very low | 39.7 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | | | trans | 85.7 | 130.5 | 152.1 | -124.9 | -65.9 | 0 | 0 | 0 | 117.5 | | |
| 153 | G | 31.5 | Very low | 39.5 | Very low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | -133.7 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 154 | Q | 35.4 | Very low | 38.9 | Very low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -146.8 | 161.5 | 167.3 | -163.3 | 164 | 12 | 0 | 0 | 109.1 | | |
| 155 | L | 30.5 | Very low | 38.7 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -76.4 | 140.2 | -173.3 | -63.4 | 158.3 | 0 | 0 | 0 | 112.6 | | |
| 156 | T | 37.2 | Very low | 38.2 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | -155.3 | 135.2 | 147.3 | 17.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 157 | S | 34.1 | Very low | 37.3 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -105.6 | 147 | 174.8 | 50.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 158 | P | 39.4 | Very low | 37.2 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -118.9 | 139 | 159.7 | 35.3 | -25.6 | 0 | 0 | 0 | 112.8 | | |
| 159 | T | 31.8 | Very low | 36.9 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -71.1 | 144.1 | 168.6 | -50.4 | 0 | 0 | 0 | 0 | 111 | | |
| 160 | T | 34.5 | Very low | 36.7 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | | | trans | 149.9 | 127.4 | 131.5 | 50 | 0 | 0 | 0 | 0 | 113 | | |
| 161 | S | 39.6 | Very low | 36.6 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | | 174.4 | 138.4 | 116.9 | -171.5 | 0 | 0 | 0 | 0 | 110 | | |
| 162 | E | 35.9 | Very low | 36.5 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | trans | -71.2 | 154.4 | 162.7 | -63.3 | 165.6 | 89.5 | 0 | 0 | 110.3 | | |
| 163 | Q | 37.4 | Very low | 36.4 | Very low | 167 Ų | 167 | 142 Ų | 142 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | | | trans | -172.5 | 132.2 | 135.1 | -88.8 | -112.7 | -20.4 | 0 | 0 | 111.3 | | |
| 164 | L | 36.5 | Very low | 36.8 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 78% | 0.78 | 82% | 0.817 | S | S | * | * | | | trans | 47.8 | 94.6 | 151 | -55.6 | 178 | 0 | 0 | 0 | 119.4 | | |
| 165 | A | 37.5 | Very low | 36.7 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -132 | 130.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 166 | H | 36.2 | Very low | 37.2 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 137 | -175.7 | -71.2 | -83.5 | 0 | 0 | 0 | 112.5 | | |
| 167 | K | 35 | Very low | 36.9 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 122.9 | -173.5 | -164.8 | 173.4 | -174.3 | 174.7 | 0 | 111.4 | | |
| 168 | P | 42.9 | Very low | 37.3 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 163.2 | 172.7 | 30.7 | -34.7 | 0 | 0 | 0 | 111.5 | | |
| 169 | P | 40.8 | Very low | 36.9 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 142.5 | 179.5 | -22.1 | 34 | 0 | 0 | 0 | 112.7 | F171 | P169-F171 PolarHBondContact O-N 3.3Š|
| 170 | A | 37.2 | Very low | 37.3 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -74.9 | 114.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S172 | A170-S172 PolarHBondContact O-N 2.97Š|
| 171 | F | 40.1 | Very low | 37.3 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | | | trans | -73.6 | 121.2 | 168.9 | -71.1 | -87.8 | 0 | 0 | 0 | 109.7 | P169 F173 | P169-F171 PolarHBondContact O-N 3.3Å; F171-F173 PolarHBondContact O-N 3.2Å |
| 172 | S | 35.6 | Very low | 37.6 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -80.3 | 111.1 | 173.9 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | A170 V174 | A170-S172 PolarHBondContact O-N 2.97Å; S172-V174 PolarHBondContact O-N 2.75Å |
| 173 | F | 36.4 | Very low | 37.8 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | trans | -75.3 | 110.9 | 166.6 | -78.5 | -93.8 | 0 | 0 | 0 | 109.1 | F171 S175 | F171-F173 PolarHBondContact O-N 3.2Å; F173-S175 PolarHBondContact O-N 2.99Å |
| 174 | V | 38.8 | Very low | 37.6 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | -86.8 | 95.5 | 168.4 | -179.9 | 0 | 0 | 0 | 0 | 108 | S172 P176 | S172-V174 PolarHBondContact O-N 2.75Å; V174-P176 WeakPolarHBondContact O-CD 3.38Å |
| 175 | S | 33.9 | Very low | 38.1 | Very low | 86 Ų | 86 | 139 Ų | 139 | 60% | 0.601 | 79% | 0.794 | S | S | * | * | | | trans | -61.7 | 129.6 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | F173 T177 | F173-S175 PolarHBondContact O-N 2.99Å; S175-T177 PolarHBondContact O-N 3.32Å; S175-T177 PolarHBondContact O-OG1 3.01Å |
| 176 | P | 41.2 | Very low | 38 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | trans | -70.1 | 87.3 | 174.3 | -20.6 | 34.3 | 0 | 0 | 0 | 112.1 | V174 N178 | V174-P176 WeakPolarHBondContact O-CD 3.38Å; P176-N178 PolarHBondContact O-N 2.74Å; P176-N178 VanDerWaalsContact O-N 3.12Å |
| 177 | T | 30.8 | Very low | 37.9 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -80.3 | 91.1 | 178.7 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | S175 | S175-T177 PolarHBondContact O-N 3.32Å; S175-T177 PolarHBondContact O-OG1 3.01Å |
| 178 | N | 42.1 | Very low | 38.2 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | trans | -148.4 | 106.6 | 162.9 | -98 | -51.8 | 0 | 0 | 0 | 110.8 | P176 | P176-N178 PolarHBondContact O-N 2.74Å; P176-N178 VanDerWaalsContact O-N 3.12Å |
| 179 | Q | 31.8 | Very low | 37.8 | Very low | 192 Ų | 192 | 137.4 Ų | 137.4 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -83.8 | 123.1 | 171.6 | -70.2 | -166.8 | 75.8 | 0 | 0 | 110.1 | | |
| 180 | K | 39.3 | Very low | 37.6 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | | | trans | -146.6 | 92.9 | 161.8 | -161.8 | 156.7 | -173.6 | 173.8 | 0 | 110.8 | P182 | K180-P182 WeakPolarHBondContact O-CD 3.18Š|
| 181 | T | 34.4 | Very low | 38 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 120.6 | -179.5 | -47.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 182 | P | 45.5 | Very low | 38.2 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 147.9 | 170.5 | -17.3 | 32.1 | 0 | 0 | 0 | 111.2 | K180 | K180-P182 WeakPolarHBondContact O-CD 3.18Š|
| 183 | P | 39.8 | Very low | 39.1 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 146.2 | 173.1 | 29.5 | -34.4 | 0 | 0 | 0 | 111.1 | P185 | P183-P185 VanDerWaalsContact O-CD 3.24Å; P183-P185 WeakPolarHBondContact O-CD 3.22Å |
| 184 | V | 34.5 | Very low | 40.3 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 118 | -176.3 | 179 | 0 | 0 | 0 | 0 | 111.4 | A186 | V184-A186 PolarHBondContact O-N 3.5Š|
| 185 | P | 45.7 | Very low | 41 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 126.1 | 175.6 | -17.4 | 32.7 | 0 | 0 | 0 | 111.4 | P183 K187 | P183-P185 VanDerWaalsContact O-CD 3.24Å; P183-P185 WeakPolarHBondContact O-CD 3.22Å; P185-K187 PolarHBondContact O-N 3.07Å |
| 186 | A | 35.2 | Very low | 41.8 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | | | trans | -78.3 | 93.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | V184 V188 | V184-A186 PolarHBondContact O-N 3.5Å; A186-V188 PolarHBondContact O-N 3.13Å |
| 187 | K | 34.7 | Very low | 42.5 | Very low | 210 Ų | 210 | 124.9 Ų | 124.9 | 91% | 0.913 | 72% | 0.716 | S | S | * | * | | | trans | 42.8 | 66.1 | 150.4 | -160.5 | -178 | -177.2 | -179.4 | 0 | 116.1 | P185 | P185-K187 PolarHBondContact O-N 3.07Š|
| 188 | V | 42.1 | Very low | 43.8 | Very low | 138 Ų | 138 | 124.3 Ų | 124.3 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | | | trans | -112.9 | 136.4 | 164.3 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | A186 G190 | A186-V188 PolarHBondContact O-N 3.13Å; V188-G190 PolarHBondContact O-N 3.33Å |
| 189 | S | 34.3 | Very low | 45 | Very low | 129 Ų | 129 | 119.7 Ų | 119.7 | 90% | 0.902 | 68% | 0.679 | S | S | * | * | | | trans | -75.2 | 120.1 | -177.3 | -57.7 | 0 | 0 | 0 | 0 | 112 | | |
| 190 | G | 37.4 | Very low | 46.6 | Very low | 59 Ų | 59 | 119.2 Ų | 119.2 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 164.9 | 130.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V188 T192 | V188-G190 PolarHBondContact O-N 3.33Å; G190-T192 PolarHBondContact O-N 2.95Å |
| 191 | T | 44.6 | Very low | 48.1 | Very low | 122 Ų | 122 | 117.2 Ų | 117.2 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | | | trans | 7.8 | 98.1 | 165.5 | 53.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 192 | T | 44.3 | Very low | 49.8 | Very low | 93 Ų | 93 | 117.9 Ų | 117.9 | 57% | 0.571 | 65% | 0.654 | S | S | * | * | | | trans | -81 | 117.6 | 170 | 52.5 | 0 | 0 | 0 | 0 | 111 | G190 H217 | G190-T192 PolarHBondContact O-N 2.95Å; T192-H217 PolarHBondContact O-N 3.41Å |
| 193 | V | 55.2 | Low | 50.6 | Low | 79 Ų | 79 | 116.4 Ų | 116.4 | 48% | 0.479 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.2 | 132.4 | 159.3 | 177.6 | 0 | 0 | 0 | 0 | 107.9 | T214 F216 | V193-T214 HydrophobicContact CG1-CG2 3.73Å; V193-T214 HydrophobicContact CG2-CG2 4.46Å; V193-F216 HydrophobicContact CG2-CD1 3.9Å; V193-F216 HydrophobicContact CG2-CE1 3.66Å |
| 194 | L | 60.1 | Low | 51.9 | Low | 142 Ų | 142 | 118 Ų | 118 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.1 | -44.2 | -174.9 | -174.1 | 65 | 0 | 0 | 0 | 113.3 | Y215 | L194-Y215 PolarHBondContact N-O 3.18Å |
| 195 | E | 53.7 | Low | 53.1 | Low | 89 Ų | 89 | 119.8 Ų | 119.8 | 42% | 0.416 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -154.7 | 143.2 | -175.6 | -160.1 | 173.9 | -155.8 | 0 | 0 | 109.2 | F197 Y215 | E195-F197 HydrophobicContact CB-CE2 4.35Å; E195-F197 VanDerWaalsContact CD-CZ 3.4Å; E195-F197 HydrophobicContact CG-CD2 4.31Å; E195-F197 HydrophobicContact CG-CE2 3.52Å; E195-F197 HydrophobicContact CG-CZ 3.89Å; E195-F197 WeakPolarHBondContact OE1-CZ 3.36Å; E195-Y215 HydrophobicContact CB-CD2 4.26Å; E195-Y215 PolarHBondContact O-N 2.94Å |
| 196 | E | 51.5 | Low | 53.5 | Low | 101 Ų | 101 | 116.7 Ų | 116.7 | 47% | 0.472 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -138.2 | 127.1 | -178.1 | -179.7 | 171.2 | -115.8 | 0 | 0 | 110.4 | H198 T212 A213 T214 | E196-H198 IonicContact OE2-CE1 2.9Å; E196-H198 PolarHBondContact OE2-CE1 3.2Å; E196-T212 HydrophobicContact CG-CG2 3.93Å; E196-A213 WeakPolarHBondContact CA-O 3.26Å; E196-T214 HydrophobicContact CB-CG2 4.48Å; E196-T214 HydrophobicContact CG-CG2 4.46Å; E196-T214 PolarHBondContact OE1-OG1 3.21Å |
| 197 | F | 55.3 | Low | 54.3 | Low | 91 Ų | 91 | 114.7 Ų | 114.7 | 40% | 0.399 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114 | 129.2 | -178.6 | -69.1 | -91.7 | 0 | 0 | 0 | 110.8 | E195 T212 A213 Y215 | E195-F197 HydrophobicContact CB-CE2 4.35Å; E195-F197 VanDerWaalsContact CD-CZ 3.4Å; E195-F197 HydrophobicContact CG-CD2 4.31Å; E195-F197 HydrophobicContact CG-CE2 3.52Å; E195-F197 HydrophobicContact CG-CZ 3.89Å; E195-F197 WeakPolarHBondContact OE1-CZ 3.36Å; F197-T212 VanDerWaalsContact O-CA 3.3Å; F197-T212 WeakPolarHBondContact O-CA 3.28Å; F197-A213 PolarHBondContact N-O 3.18Å; F197-A213 PolarHBondContact O-N 2.8Å; F197-Y215 HydrophobicContact CD2-CD2 4.33Å; F197-Y215 AromaticContact CD2-CE2 3.72Å; F197-Y215 HydrophobicContact CD2-CE2 3.72Å; F197-Y215 HydrophobicContact CE2-CD2 4.29Å; F197-Y215 AromaticContact CE2-CE2 3.77Å; F197-Y215 HydrophobicContact CE2-CE2 3.77Å |
| 198 | H | 59 | Low | 55.5 | Low | 111 Ų | 111 | 107.7 Ų | 107.7 | 51% | 0.514 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.9 | 175.9 | -67.5 | 78.3 | 0 | 0 | 0 | 110.2 | E196 | E196-H198 IonicContact OE2-CE1 2.9Å; E196-H198 PolarHBondContact OE2-CE1 3.2Å |
| 199 | I | 67.6 | Low | 56.1 | Low | 64 Ų | 64 | 104.9 Ų | 104.9 | 33% | 0.328 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.1 | 116.9 | 175.8 | -57.6 | 178.1 | 0 | 0 | 0 | 108.8 | R201 E211 | I199-R201 HydrophobicContact CG2-CG 3.98Å; I199-E211 HydrophobicContact CB-CB 4.37Å; I199-E211 PolarHBondContact N-O 2.97Å; I199-E211 PolarHBondContact O-N 2.89Å |
| 200 | R | 64.6 | Low | 57.5 | Low | 181 Ų | 181 | 102 Ų | 102 | 68% | 0.683 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132.4 | 167.5 | -75.7 | -171.8 | -66 | -79.7 | -0.7 | 111 | E209 E210 | R200-E209 CarbonylContact C-O 3.58Å; R200-E209 WeakPolarHBondContact CA-O 3.4Å; R200-E210 WeakPolarHBondContact CD-OE1 3.31Å; R200-E210 HydrophobicContact CG-CB 4.09Å; R200-E210 VanDerWaalsContact CG-CD 3.4Å; R200-E210 HydrophobicContact CG-CG 3.77Å; R200-E210 WeakPolarHBondContact CG-OE1 3.44Å; R200-E210 IonicContact CZ-OE1 3.18Å; R200-E210 IonicContact NE-OE1 2.66Å; R200-E210 IonicContact NH1-OE1 2.67Å; R200-E210 PolarHBondContact NH1-OE1 3.2Å |
| 201 | R | 69.9 | Low | 58.6 | Low | 158 Ų | 158 | 103.1 Ų | 103.1 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.9 | 175.2 | -49.6 | -174.1 | 74.7 | 92.6 | -0 | 109.5 | I199 E209 | I199-R201 HydrophobicContact CG2-CG 3.98Å; R201-E209 HydrophobicContact CB-CB 4.45Å; R201-E209 PolarHBondContact N-O 3.22Å; R201-E209 PolarHBondContact O-N 3.46Å |
| 202 | L | 70 | Confident | 59.2 | Low | 137 Ų | 137 | 98 Ų | 98 | 72% | 0.717 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 117 | 172 | -177.3 | 68.1 | 0 | 0 | 0 | 107.7 | | |
| 203 | D | 62.1 | Low | 59.7 | Low | 75 Ų | 75 | 94.5 Ų | 94.5 | 40% | 0.401 | 49% | 0.486 | S | S | . | . | | | trans | -71.1 | 156.8 | 174.5 | 175.2 | 50.1 | 0 | 0 | 0 | 111.5 | H205 G206 A207 | D203-H205 PolarHBondContact O-N 3.4Å; D203-H205 WeakPolarHBondContact OD2-CA 3.29Å; D203-H205 WeakPolarHBondContact OD2-CB 3.41Å; D203-H205 PolarHBondContact OD2-N 2.93Å; D203-G206 PolarHBondContact O-N 3.03Å; D203-A207 HydrophobicContact CB-CB 4.35Å; D203-A207 PolarHBondContact N-O 2.99Å |
| 204 | V | 67.4 | Low | 59.8 | Low | 151 Ų | 151 | 91.2 Ų | 91.2 | 92% | 0.915 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.8 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 112 | G206 | V204-G206 VanDerWaalsContact C-N 3.3Š|
| 205 | H | 59.5 | Low | 59.3 | Low | 176 Ų | 176 | 87.4 Ų | 87.4 | 82% | 0.815 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.5 | 176.6 | -146.1 | -57.7 | 0 | 0 | 0 | 113.9 | D203 | D203-H205 PolarHBondContact O-N 3.4Å; D203-H205 WeakPolarHBondContact OD2-CA 3.29Å; D203-H205 WeakPolarHBondContact OD2-CB 3.41Å; D203-H205 PolarHBondContact OD2-N 2.93Å |
| 206 | G | 54.4 | Low | 59.3 | Low | 55 Ų | 55 | 87.2 Ų | 87.2 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 84.6 | 12 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D203 V204 | D203-G206 PolarHBondContact O-N 3.03Å; V204-G206 VanDerWaalsContact C-N 3.3Å |
| 207 | A | 52.2 | Low | 59.2 | Low | 47 Ų | 47 | 86.7 Ų | 86.7 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | | | trans | -79.7 | 135.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | D203 | D203-A207 HydrophobicContact CB-CB 4.35Å; D203-A207 PolarHBondContact N-O 2.99Å |
| 208 | S | 59.5 | Low | 58.7 | Low | 64 Ų | 64 | 85.5 Ų | 85.5 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126.3 | 168.3 | 35.2 | 0 | 0 | 0 | 0 | 111 | S307 | S208-S307 PolarHBondContact O-OG 3.15Å; S208-S307 PolarHBondContact OG-OG 2.99Å |
| 209 | E | 56 | Low | 58.1 | Low | 79 Ų | 79 | 84.5 Ų | 84.5 | 37% | 0.369 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.2 | 170.6 | -59.1 | -173.4 | 125.9 | 0 | 0 | 108.6 | R200 R201 H306 | R200-E209 CarbonylContact C-O 3.58Å; R200-E209 WeakPolarHBondContact CA-O 3.4Å; R201-E209 HydrophobicContact CB-CB 4.45Å; R201-E209 PolarHBondContact N-O 3.22Å; R201-E209 PolarHBondContact O-N 3.46Å; E209-H306 IonicContact OE1-CE1 2.62Å; E209-H306 IonicContact OE1-ND1 3.02Å |
| 210 | E | 62.9 | Low | 56.9 | Low | 68 Ų | 68 | 85.5 Ų | 85.5 | 32% | 0.318 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 118.8 | 175.7 | -171.1 | 144.6 | -140.4 | 0 | 0 | 109 | R200 M305 | R200-E210 WeakPolarHBondContact CD-OE1 3.31Å; R200-E210 HydrophobicContact CG-CB 4.09Å; R200-E210 VanDerWaalsContact CG-CD 3.4Å; R200-E210 HydrophobicContact CG-CG 3.77Å; R200-E210 WeakPolarHBondContact CG-OE1 3.44Å; R200-E210 IonicContact CZ-OE1 3.18Å; R200-E210 IonicContact NE-OE1 2.66Å; R200-E210 IonicContact NH1-OE1 2.67Å; R200-E210 PolarHBondContact NH1-OE1 3.2Å; E210-M305 PolarHBondContact N-O 3.48Å; E210-M305 VanDerWaalsContact N-O 3.12Å; E210-M305 WeakPolarHBondContact O-CA 3.47Å; E210-M305 WeakPolarHBondContact O-CB 3.36Å; E210-M305 PolarHBondContact O-N 3.49Å |
| 211 | E | 60.6 | Low | 56.1 | Low | 83 Ų | 83 | 84.8 Ų | 84.8 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.7 | -177.7 | 179.1 | -176.9 | -172.4 | 0 | 0 | 108 | I199 | I199-E211 HydrophobicContact CB-CB 4.37Å; I199-E211 PolarHBondContact N-O 2.97Å; I199-E211 PolarHBondContact O-N 2.89Å |
| 212 | T | 57.8 | Low | 54.5 | Low | 15 Ų | 15 | 84.6 Ų | 84.6 | 9% | 0.092 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.2 | 177 | -55 | 0 | 0 | 0 | 0 | 110 | E196 F197 I303 | E196-T212 HydrophobicContact CG-CG2 3.93Å; F197-T212 VanDerWaalsContact O-CA 3.3Å; F197-T212 WeakPolarHBondContact O-CA 3.28Å; T212-I303 PolarHBondContact N-O 2.89Å; T212-I303 CarbonylContact O-C 3.58Å; T212-I303 WeakPolarHBondContact O-CA 3.26Å; T212-I303 WeakPolarHBondContact O-CB 3.36Å; T212-I303 PolarHBondContact O-N 2.96Å |
| 213 | A | 53.8 | Low | 52.5 | Low | 19 Ų | 19 | 82.8 Ų | 82.8 | 16% | 0.157 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E196 F197 | E196-A213 WeakPolarHBondContact CA-O 3.26Å; F197-A213 PolarHBondContact N-O 3.18Å; F197-A213 PolarHBondContact O-N 2.8Å |
| 214 | T | 57.9 | Low | 51.5 | Low | 9 Ų | 9 | 84.4 Ų | 84.4 | 6% | 0.055 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.5 | -172.3 | -46.2 | 0 | 0 | 0 | 0 | 109.4 | V193 E196 F216 | V193-T214 HydrophobicContact CG1-CG2 3.73Å; V193-T214 HydrophobicContact CG2-CG2 4.46Å; E196-T214 HydrophobicContact CB-CG2 4.48Å; E196-T214 HydrophobicContact CG-CG2 4.46Å; E196-T214 PolarHBondContact OE1-OG1 3.21Å; T214-F216 HydrophobicContact CG2-CE1 4.41Å; T214-F216 HydrophobicContact CG2-CE2 3.95Å; T214-F216 HydrophobicContact CG2-CZ 3.8Å; T214-F216 WeakPolarHBondContact O-CD2 3.22Å |
| 215 | Y | 50.7 | Low | 49.9 | Very low | 62 Ų | 62 | 85.2 Ų | 85.2 | 24% | 0.243 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.9 | -174.9 | -61 | -63.7 | 0 | 0 | 0 | 112.1 | L194 E195 F197 Y298 | L194-Y215 PolarHBondContact N-O 3.18Å; E195-Y215 HydrophobicContact CB-CD2 4.26Å; E195-Y215 PolarHBondContact O-N 2.94Å; F197-Y215 HydrophobicContact CD2-CD2 4.33Å; F197-Y215 AromaticContact CD2-CE2 3.72Å; F197-Y215 HydrophobicContact CD2-CE2 3.72Å; F197-Y215 HydrophobicContact CE2-CD2 4.29Å; F197-Y215 AromaticContact CE2-CE2 3.77Å; F197-Y215 HydrophobicContact CE2-CE2 3.77Å; Y215-Y298 AromaticContact CD1-CE2 3.96Å; Y215-Y298 HydrophobicContact CD1-CE2 3.96Å; Y215-Y298 AromaticContact CD1-CZ 3.99Å; Y215-Y298 WeakPolarHBondContact CD1-OH 3.16Å; Y215-Y298 HydrophobicContact CE1-CE2 4.48Å; Y215-Y298 WeakPolarHBondContact CE1-OH 3.4Å |
| 216 | F | 51.8 | Low | 49 | Very low | 86 Ų | 86 | 81.6 Ų | 81.6 | 38% | 0.377 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.7 | 180 | -61.2 | -86 | 0 | 0 | 0 | 111.6 | V193 T214 V301 | V193-F216 HydrophobicContact CG2-CD1 3.9Å; V193-F216 HydrophobicContact CG2-CE1 3.66Å; T214-F216 HydrophobicContact CG2-CE1 4.41Å; T214-F216 HydrophobicContact CG2-CE2 3.95Å; T214-F216 HydrophobicContact CG2-CZ 3.8Å; T214-F216 WeakPolarHBondContact O-CD2 3.22Å; F216-V301 HydrophobicContact CD2-CB 4.34Å; F216-V301 HydrophobicContact CD2-CG2 4.08Å; F216-V301 HydrophobicContact CE2-CB 4.3Å; F216-V301 HydrophobicContact CE2-CG2 4.36Å |
| 217 | H | 49.9 | Very low | 48.1 | Very low | 90 Ų | 90 | 83.7 Ų | 83.7 | 42% | 0.417 | 49% | 0.488 | S | S | . | . | | | trans | -103 | 110.8 | 173.3 | -174.1 | -70.3 | 0 | 0 | 0 | 111.5 | T192 | T192-H217 PolarHBondContact O-N 3.41Š|
| 218 | T | 45.2 | Very low | 47.2 | Very low | 66 Ų | 66 | 93.5 Ų | 93.5 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | | | trans | -95 | 107 | 175.2 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | S297 | T218-S297 PolarHBondContact OG1-O 3.21Š|
| 219 | T | 45.8 | Very low | 46 | Very low | 89 Ų | 89 | 100.1 Ų | 100.1 | 55% | 0.546 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 119.9 | 163 | 46.3 | 0 | 0 | 0 | 0 | 109.6 | H221 | T219-H221 PolarHBondContact O-CD2 2.97Å; T219-H221 PolarHBondContact O-N 3.25Å |
| 220 | A | 42.8 | Very low | 44.8 | Very low | 86 Ų | 86 | 99.7 Ų | 99.7 | 71% | 0.711 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 126.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 221 | H | 47.8 | Very low | 43.3 | Very low | 166 Ų | 166 | 101.6 Ų | 101.6 | 77% | 0.769 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 122 | -170.9 | -74.8 | -92.4 | 0 | 0 | 0 | 112.1 | T219 | T219-H221 PolarHBondContact O-CD2 2.97Å; T219-H221 PolarHBondContact O-N 3.25Å |
| 222 | D | 36.3 | Very low | 41.9 | Very low | 154 Ų | 154 | 103.4 Ų | 103.4 | 82% | 0.824 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 141.2 | 150.1 | -146.5 | -20 | 0 | 0 | 0 | 108.3 | P224 | D222-P224 WeakPolarHBondContact O-CD 3.28Š|
| 223 | S | 29.3 | Very low | 40.6 | Very low | 98 Ų | 98 | 108.4 Ų | 108.4 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 127.3 | -157 | 64.6 | 0 | 0 | 0 | 0 | 115 | | |
| 224 | P | 40.7 | Very low | 39.8 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 71% | 0.714 | 67% | 0.669 | S | S | * | * | | | trans | -108.4 | 99.9 | 164.8 | 33.9 | -20.2 | 0 | 0 | 0 | 110.6 | D222 P226 | D222-P224 WeakPolarHBondContact O-CD 3.28Å; P224-P226 VanDerWaalsContact O-CD 3.26Å; P224-P226 WeakPolarHBondContact O-CD 3.27Å |
| 225 | L | 33.3 | Very low | 38.5 | Very low | 168 Ų | 168 | 120.4 Ų | 120.4 | 88% | 0.88 | 70% | 0.697 | S | S | * | * | | | trans | -65.3 | 116.9 | 172.4 | -75.9 | 164.6 | 0 | 0 | 0 | 110.7 | A227 | L225-A227 PolarHBondContact O-N 3.06Š|
| 226 | P | 41.4 | Very low | 37.6 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | | | trans | -84.5 | 105.2 | 172.9 | 32.7 | -28.1 | 0 | 0 | 0 | 109.2 | P224 W228 | P224-P226 VanDerWaalsContact O-CD 3.26Å; P224-P226 WeakPolarHBondContact O-CD 3.27Å; P226-W228 PolarHBondContact O-N 3.24Å |
| 227 | A | 34.2 | Very low | 36.6 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -68.2 | 97.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L225 K229 | L225-A227 PolarHBondContact O-N 3.06Å; A227-K229 PolarHBondContact O-N 3.07Å |
| 228 | W | 34.2 | Very low | 35.9 | Very low | 252 Ų | 252 | 129.9 Ų | 129.9 | 96% | 0.955 | 76% | 0.763 | S | S | * | * | | | trans | -65.4 | 91.6 | 171.2 | -74.6 | -13.3 | 0 | 0 | 0 | 111.1 | P226 | P226-W228 PolarHBondContact O-N 3.24Š|
| 229 | K | 33.8 | Very low | 35.2 | Very low | 203 Ų | 203 | 132.5 Ų | 132.5 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -96.6 | 94 | 168.8 | -152.8 | 176 | -171.3 | -177 | 0 | 109.5 | A227 | A227-K229 PolarHBondContact O-N 3.07Š|
| 230 | G | 31.8 | Very low | 34.8 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | | | trans | -55.9 | 149.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 231 | A | 29.5 | Very low | 34.5 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | | | trans | -67.6 | 139.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 232 | S | 33.1 | Very low | 33.9 | Very low | 122 Ų | 122 | 136 Ų | 136 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -131.5 | 131.8 | 156.2 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 233 | T | 30.4 | Very low | 34.2 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | | | trans | -85.9 | 115.6 | -162.9 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 234 | L | 35.1 | Very low | 34.7 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -134.1 | 133.6 | 152.5 | -85.4 | 179.6 | 0 | 0 | 0 | 110.6 | | |
| 235 | V | 31.8 | Very low | 34.5 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | | | trans | -95.3 | 132.2 | -174.8 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 236 | F | 32.5 | Very low | 34.7 | Very low | 211 Ų | 211 | 130 Ų | 130 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -146.7 | 136.3 | 146.8 | -105 | -74.1 | 0 | 0 | 0 | 110.5 | | |
| 237 | S | 30.2 | Very low | 34.6 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | trans | -100.1 | 152.8 | -168.9 | -51.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 238 | P | 34.2 | Very low | 34.7 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | trans | -89.1 | 134.2 | 171.1 | 33.8 | -31.6 | 0 | 0 | 0 | 112.3 | | |
| 239 | S | 31.9 | Very low | 34.9 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | 175.5 | 159.2 | 143.1 | -160.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 240 | A | 35.8 | Very low | 35.1 | Very low | 77 Ų | 77 | 120.7 Ų | 120.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | trans | 89.8 | 126.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 241 | Q | 36.9 | Very low | 35.4 | Very low | 176 Ų | 176 | 124.2 Ų | 124.2 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | 66 | 119.3 | 149.1 | -65.9 | 167.6 | -41.2 | 0 | 0 | 119.7 | | |
| 242 | L | 36.7 | Very low | 36 | Very low | 161 Ų | 161 | 125.1 Ų | 125.1 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | cis | 77.9 | 150.2 | 49.4 | -68.7 | 173 | 0 | 0 | 0 | 114.5 | | |
| 243 | P | 41.1 | Very low | 36.3 | Very low | 126 Ų | 126 | 123 Ų | 123 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | cis | -140.3 | -177 | -17 | 39.2 | -19.9 | 0 | 0 | 0 | 116.5 | | |
| 244 | G | 40 | Very low | 36.8 | Very low | 65 Ų | 65 | 123.5 Ų | 123.5 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | | | trans | 122 | 132.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 245 | S | 37.6 | Very low | 37.2 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | cis | 79 | 134 | 35.1 | 78.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 246 | S | 37.3 | Very low | 37.6 | Very low | 95 Ų | 95 | 123 Ų | 123 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | | | cis | -175.9 | -177.5 | -9.4 | 48 | 0 | 0 | 0 | 0 | 109.3 | | |
| 247 | L | 39 | Very low | 37.8 | Very low | 162 Ų | 162 | 124.5 Ų | 124.5 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | | | trans | 69.9 | 163.7 | 174.4 | -80.4 | 73.5 | 0 | 0 | 0 | 116.4 | | |
| 248 | C | 35.9 | Very low | 38 | Very low | 125 Ų | 125 | 123 Ų | 123 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | | | cis | -170.4 | 159.7 | -27.8 | -175.6 | 0 | 0 | 0 | 0 | 110 | | |
| 249 | G | 39.4 | Very low | 38.2 | Very low | 68 Ų | 68 | 125.4 Ų | 125.4 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | 94.7 | 125.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 250 | S | 37.5 | Very low | 38.4 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | cis | 120.1 | 146.2 | 2 | -163.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 251 | N | 38.4 | Very low | 39 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | trans | 81.8 | 145.1 | 168.9 | -44.1 | -27 | 0 | 0 | 0 | 115.6 | | |
| 252 | V | 40.5 | Very low | 38.9 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | cis | -165.4 | 157.5 | -8 | 117 | 0 | 0 | 0 | 0 | 110.2 | | |
| 253 | A | 40.6 | Very low | 38.9 | Very low | 79 Ų | 79 | 123.1 Ų | 123.1 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | | | trans | 65 | 151 | 158.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 254 | D | 41 | Very low | 38.8 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | | | cis | -164.3 | 166.1 | -28 | -120.2 | -45.6 | 0 | 0 | 0 | 115.5 | | |
| 255 | H | 43.9 | Very low | 38.9 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | | | trans | 67 | 109.4 | 144.4 | -72.3 | 14.8 | 0 | 0 | 0 | 123.7 | | |
| 256 | T | 40 | Very low | 39.1 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | | | trans | 69.2 | 125.2 | 130.4 | 54.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 257 | R | 35.2 | Very low | 39.4 | Very low | 243 Ų | 243 | 133.3 Ų | 133.3 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | | | | 73.4 | 130.6 | 82.7 | -163.3 | -166.7 | -169.2 | 176.5 | 4.2 | 113.4 | | |
| 258 | G | 34.6 | Very low | 39.5 | Very low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | | | cis | 154.8 | 152.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 259 | L | 39.4 | Very low | 39.5 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 94% | 0.937 | 75% | 0.754 | S | S | * | * | | | trans | 71.9 | 141.5 | 167 | -60.3 | 173.5 | 0 | 0 | 0 | 121.5 | | |
| 260 | A | 36.3 | Very low | 39.4 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | 83.4 | 144.7 | 151 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 261 | P | 47.2 | Very low | 39.4 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -119.4 | 161.6 | -177.1 | 42.3 | -31.3 | 0 | 0 | 0 | 115.5 | | |
| 262 | E | 36 | Very low | 39.1 | Very low | 182 Ų | 182 | 130 Ų | 130 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | | | trans | -149.6 | -171.1 | 150.3 | -137.6 | -162.5 | 94.9 | 0 | 0 | 112.1 | | |
| 263 | A | 35.9 | Very low | 39.3 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | -131.9 | -151.7 | -145 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 264 | Q | 40 | Very low | 38.9 | Very low | 139 Ų | 139 | 136 Ų | 136 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | trans | 90.1 | 139 | 177 | -52.3 | -171.8 | 36.1 | 0 | 0 | 115 | | |
| 265 | K | 41.9 | Very low | 39 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | cis | -161 | 144.4 | 8.3 | -129.1 | 163.2 | -176.5 | 147.9 | 0 | 112.6 | | |
| 266 | K | 42.3 | Very low | 38.6 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | 62.9 | 121.1 | 134.2 | -158.7 | 171.8 | 179.6 | 180 | 0 | 117.2 | | |
| 267 | V | 42.7 | Very low | 38.6 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | | | cis | -149.5 | -172 | 23.8 | -117.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 268 | S | 40.2 | Very low | 38.5 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | cis | -155.8 | -176.2 | 13 | -141.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 269 | T | 37.1 | Very low | 38.4 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -75 | 163.3 | 170.1 | 45.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 270 | S | 36.5 | Very low | 38.2 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | cis | -174.7 | 175.2 | -10.6 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 271 | S | 37.2 | Very low | 38.3 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 60.9 | 117.5 | 171.8 | 53.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 272 | A | 33.2 | Very low | 37.9 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | cis | 89.9 | 106.5 | 28.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 273 | L | 44.7 | Very low | 37.9 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 95% | 0.948 | 77% | 0.768 | S | S | * | * | | | trans | -166.1 | 161.4 | 141.3 | -100 | 173.5 | 0 | 0 | 0 | 108.7 | | |
| 274 | N | 32.6 | Very low | 37.8 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -153.2 | 169.1 | -169 | -139.3 | -11 | 0 | 0 | 0 | 107.5 | | |
| 275 | P | 41.8 | Very low | 37.8 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | cis | -130.4 | -164.7 | -15.9 | 41 | -23.2 | 0 | 0 | 0 | 113.5 | | |
| 276 | R | 35.8 | Very low | 37.3 | Very low | 220 Ų | 220 | 135.8 Ų | 135.8 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | 101.9 | 151.5 | 163.3 | -69.8 | -92.2 | -177.3 | 173.6 | 1.3 | 119.3 | | |
| 277 | E | 39.4 | Very low | 36.8 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | 74.1 | 69.2 | 159.9 | -76.2 | 149.1 | -124.8 | 0 | 0 | 120.6 | | |
| 278 | D | 33.5 | Very low | 36.3 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | | 76.6 | 136.4 | 117.4 | -84.8 | -60.3 | 0 | 0 | 0 | 125.6 | | |
| 279 | V | 33.9 | Very low | 35.9 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | | | trans | 53.7 | 92.8 | 158.4 | -170 | 0 | 0 | 0 | 0 | 119.7 | | |
| 280 | R | 34.3 | Very low | 35.7 | Very low | 236 Ų | 236 | 128.2 Ų | 128.2 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | | | | -83.1 | 144.9 | 129.6 | -72.4 | -76.9 | -157.9 | 148.1 | 6.5 | 107.5 | | |
| 281 | T | 38.4 | Very low | 35.7 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | | -169.8 | 162.9 | 79 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 282 | S | 38 | Very low | 35.8 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | | | trans | -56.2 | 159.6 | -177.6 | 40.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 283 | P | 36.1 | Very low | 36.1 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -75.7 | 144.1 | -164.4 | 30.4 | -37.2 | 0 | 0 | 0 | 114.7 | | |
| 284 | S | 34.6 | Very low | 35.9 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -111.4 | 148.5 | 164.4 | -65.2 | 0 | 0 | 0 | 0 | 109.9 | A286 | S284-A286 PolarHBondContact O-N 3.05Š|
| 285 | P | 39.1 | Very low | 36.5 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -66.9 | 123.8 | 179.1 | 27.6 | -34 | 0 | 0 | 0 | 110.8 | S287 | P285-S287 VanDerWaalsContact C-N 3.31Å; P285-S287 PolarHBondContact O-N 2.66Å |
| 286 | A | 31.6 | Very low | 36.7 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | -79.1 | 74.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | S284 G288 | S284-A286 PolarHBondContact O-N 3.05Å; A286-G288 PolarHBondContact O-N 2.9Å |
| 287 | S | 33.2 | Very low | 37.1 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | | | trans | -70.1 | 66.4 | 168.3 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | P285 A289 | P285-S287 VanDerWaalsContact C-N 3.31Å; P285-S287 PolarHBondContact O-N 2.66Å; S287-A289 PolarHBondContact O-N 3.35Å |
| 288 | G | 30.3 | Very low | 37.7 | Very low | 76 Ų | 76 | 122.9 Ų | 122.9 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | trans | -71.7 | 34.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | A286 S290 | A286-G288 PolarHBondContact O-N 2.9Å; G288-S290 PolarHBondContact O-N 3.32Å |
| 289 | A | 31.8 | Very low | 39 | Very low | 81 Ų | 81 | 120 Ų | 120 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | trans | -75.8 | 87.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S287 L291 | S287-A289 PolarHBondContact O-N 3.35Å; A289-L291 VanDerWaalsContact C-N 3.32Å; A289-L291 PolarHBondContact O-N 3.39Å |
| 290 | S | 33.8 | Very low | 39.8 | Very low | 112 Ų | 112 | 115.4 Ų | 115.4 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | | | trans | -66.8 | 93.8 | 170.4 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | G288 R292 | G288-S290 PolarHBondContact O-N 3.32Å; S290-R292 PolarHBondContact O-N 3.31Å |
| 291 | L | 36.2 | Very low | 40.6 | Very low | 166 Ų | 166 | 106.2 Ų | 106.2 | 87% | 0.869 | 68% | 0.676 | S | S | * | * | | | trans | -67.5 | 80 | 173.4 | -71.7 | 171.2 | 0 | 0 | 0 | 109.7 | A289 S293 | A289-L291 VanDerWaalsContact C-N 3.32Å; A289-L291 PolarHBondContact O-N 3.39Å; L291-S293 VanDerWaalsContact C-N 3.31Å; L291-S293 PolarHBondContact O-N 3.23Å |
| 292 | R | 39.3 | Very low | 41.8 | Very low | 232 Ų | 232 | 107.4 Ų | 107.4 | 88% | 0.875 | 67% | 0.667 | S | S | * | * | | | trans | -59.5 | 100.9 | 154.9 | -89.4 | -169.3 | 169.9 | -162 | -2.3 | 107 | S290 | S290-R292 PolarHBondContact O-N 3.31Š|
| 293 | S | 39.9 | Very low | 43 | Very low | 100 Ų | 100 | 105.1 Ų | 105.1 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 131.3 | 161.7 | 51.9 | 0 | 0 | 0 | 0 | 108.6 | L291 S295 | L291-S293 VanDerWaalsContact C-N 3.31Å; L291-S293 PolarHBondContact O-N 3.23Å; S293-S295 PolarHBondContact O-N 3.2Å |
| 294 | P | 41 | Very low | 44.4 | Very low | 105 Ų | 105 | 102.2 Ų | 102.2 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 127.4 | -178.8 | 24.4 | -33.3 | 0 | 0 | 0 | 109.4 | A296 | P294-A296 PolarHBondContact O-N 3.3Š|
| 295 | S | 44.9 | Very low | 45.4 | Very low | 118 Ų | 118 | 101.8 Ų | 101.8 | 83% | 0.825 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 124.8 | 170.1 | -66.4 | 0 | 0 | 0 | 0 | 108.3 | S293 S297 | S293-S295 PolarHBondContact O-N 3.2Å; S295-S297 PolarHBondContact O-N 2.96Å |
| 296 | A | 46 | Very low | 45.9 | Very low | 75 Ų | 75 | 101.8 Ų | 101.8 | 62% | 0.62 | 60% | 0.604 | S | S | * | * | | | trans | -60.7 | 110.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P294 Y298 | P294-A296 PolarHBondContact O-N 3.3Å; A296-Y298 PolarHBondContact O-N 3.1Å |
| 297 | S | 44.6 | Very low | 46.9 | Very low | 75 Ų | 75 | 100 Ų | 100 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | | | trans | -72 | 94.4 | 179.7 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | T218 S295 I299 | T218-S297 PolarHBondContact OG1-O 3.21Å; S295-S297 PolarHBondContact O-N 2.96Å; S297-I299 PolarHBondContact O-N 3.38Å |
| 298 | Y | 51.8 | Low | 48.1 | Very low | 142 Ų | 142 | 102.5 Ų | 102.5 | 56% | 0.557 | 59% | 0.588 | S | S | * | * | | | trans | -76 | 113.1 | 177.5 | 171.1 | -98.9 | 0 | 0 | 0 | 110.4 | Y215 A296 P300 | Y215-Y298 AromaticContact CD1-CE2 3.96Å; Y215-Y298 HydrophobicContact CD1-CE2 3.96Å; Y215-Y298 AromaticContact CD1-CZ 3.99Å; Y215-Y298 WeakPolarHBondContact CD1-OH 3.16Å; Y215-Y298 HydrophobicContact CE1-CE2 4.48Å; Y215-Y298 WeakPolarHBondContact CE1-OH 3.4Å; A296-Y298 PolarHBondContact O-N 3.1Å; Y298-P300 HydrophobicContact CD1-CG 4.46Å; Y298-P300 HydrophobicContact CE1-CB 3.77Å; Y298-P300 HydrophobicContact CE1-CG 4.07Å; Y298-P300 WeakPolarHBondContact O-CD 3.34Å |
| 299 | I | 60 | Low | 49.1 | Very low | 90 Ų | 90 | 103.8 Ų | 103.8 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | | | trans | -105.7 | 104.2 | 176.7 | -57.9 | 175.9 | 0 | 0 | 0 | 108.4 | S297 V301 | S297-I299 PolarHBondContact O-N 3.38Å; I299-V301 HydrophobicContact CG2-CG2 4.45Å; I299-V301 PolarHBondContact O-N 2.92Å; I299-V301 VanDerWaalsContact O-N 3.13Å |
| 300 | P | 50.3 | Low | 50.4 | Low | 28 Ų | 28 | 105.7 Ų | 105.7 | 18% | 0.182 | 59% | 0.591 | C | S | . | * | | | trans | -79.4 | 94.3 | -179.2 | 30.7 | -33.4 | 0 | 0 | 0 | 111.5 | Y298 | Y298-P300 HydrophobicContact CD1-CG 4.46Å; Y298-P300 HydrophobicContact CE1-CB 3.77Å; Y298-P300 HydrophobicContact CE1-CG 4.07Å; Y298-P300 WeakPolarHBondContact O-CD 3.34Å |
| 301 | V | 52.1 | Low | 50.9 | Low | 43 Ų | 43 | 105.2 Ų | 105.2 | 26% | 0.261 | 59% | 0.588 | S | S | . | * | | | trans | -73.8 | 136.4 | 173.1 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | F216 I299 I303 | F216-V301 HydrophobicContact CD2-CB 4.34Å; F216-V301 HydrophobicContact CD2-CG2 4.08Å; F216-V301 HydrophobicContact CE2-CB 4.3Å; F216-V301 HydrophobicContact CE2-CG2 4.36Å; I299-V301 HydrophobicContact CG2-CG2 4.45Å; I299-V301 PolarHBondContact O-N 2.92Å; I299-V301 VanDerWaalsContact O-N 3.13Å; V301-I303 HydrophobicContact CG1-CG1 4.3Å |
| 302 | R | 63.8 | Low | 51.7 | Low | 146 Ų | 146 | 103 Ų | 103 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.8 | -178.4 | -48.6 | 175.7 | -160.2 | -90.8 | -0.1 | 108.6 | | |
| 303 | I | 62.6 | Low | 52.5 | Low | 51 Ų | 51 | 100.6 Ų | 100.6 | 26% | 0.262 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.9 | 106 | -178.1 | -54.2 | 179 | 0 | 0 | 0 | 108.8 | T212 V301 M305 | T212-I303 PolarHBondContact N-O 2.89Å; T212-I303 CarbonylContact O-C 3.58Å; T212-I303 WeakPolarHBondContact O-CA 3.26Å; T212-I303 WeakPolarHBondContact O-CB 3.36Å; T212-I303 PolarHBondContact O-N 2.96Å; V301-I303 HydrophobicContact CG1-CG1 4.3Å; I303-M305 HydrophobicContact CG2-CG 4.17Å |
| 304 | V | 64.6 | Low | 53 | Low | 70 Ų | 70 | 101.6 Ų | 101.6 | 42% | 0.424 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.9 | 179.2 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 305 | M | 56.3 | Low | 53.3 | Low | 98 Ų | 98 | 104.7 Ų | 104.7 | 48% | 0.483 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 109.3 | -177.9 | -61.1 | -177.4 | 69.6 | 0 | 0 | 110.9 | E210 I303 | E210-M305 PolarHBondContact N-O 3.48Å; E210-M305 VanDerWaalsContact N-O 3.12Å; E210-M305 WeakPolarHBondContact O-CA 3.47Å; E210-M305 WeakPolarHBondContact O-CB 3.36Å; E210-M305 PolarHBondContact O-N 3.49Å; I303-M305 HydrophobicContact CG2-CG 4.17Å |
| 306 | H | 49.3 | Very low | 53.4 | Low | 116 Ų | 116 | 105.3 Ų | 105.3 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 113.1 | 174.8 | -61 | -72.2 | 0 | 0 | 0 | 110.6 | E209 L308 | E209-H306 IonicContact OE1-CE1 2.62Å; E209-H306 IonicContact OE1-ND1 3.02Å; H306-L308 PolarHBondContact O-N 2.82Å |
| 307 | S | 53.4 | Low | 53 | Low | 65 Ų | 65 | 106.4 Ų | 106.4 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | | | trans | -74.7 | 97.2 | 173.7 | 66 | 0 | 0 | 0 | 0 | 110.7 | S208 S309 | S208-S307 PolarHBondContact O-OG 3.15Å; S208-S307 PolarHBondContact OG-OG 2.99Å; S307-S309 PolarHBondContact O-N 3.29Å |
| 308 | L | 57.7 | Low | 52.9 | Low | 163 Ų | 163 | 108.4 Ų | 108.4 | 85% | 0.853 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 120.8 | 174.5 | -65.1 | -178.3 | 0 | 0 | 0 | 109.8 | H306 | H306-L308 PolarHBondContact O-N 2.82Š|
| 309 | S | 52 | Low | 52.4 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 144.8 | 171.9 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | S307 S311 | S307-S309 PolarHBondContact O-N 3.29Å; S309-S311 PolarHBondContact O-N 3.3Å; S309-S311 VanDerWaalsContact O-N 3.15Å |
| 310 | P | 58.3 | Low | 51.5 | Low | 121 Ų | 121 | 110.4 Ų | 110.4 | 79% | 0.786 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -61 | 123.7 | -178.3 | 24.4 | -33.6 | 0 | 0 | 0 | 109.6 | | |
| 311 | S | 45.2 | Very low | 51 | Low | 102 Ų | 102 | 112.3 Ų | 112.3 | 71% | 0.713 | 66% | 0.657 | S | S | * | * | | | trans | -43.8 | 131.6 | 178.3 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | S309 K313 | S309-S311 PolarHBondContact O-N 3.3Å; S309-S311 VanDerWaalsContact O-N 3.15Å; S311-K313 PolarHBondContact O-N 3.42Å |
| 312 | P | 53.2 | Low | 50.3 | Low | 118 Ų | 118 | 114.9 Ų | 114.9 | 77% | 0.766 | 68% | 0.677 | S | S | * | * | | | trans | -55.7 | 115.1 | -170.6 | 21.3 | -33.2 | 0 | 0 | 0 | 109.7 | | |
| 313 | K | 56.3 | Low | 49 | Very low | 183 Ų | 183 | 116.2 Ų | 116.2 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | | | trans | -47 | 132.2 | -178.9 | -68.3 | 178.6 | 179.3 | 177.7 | 0 | 108.4 | S311 L315 | S311-K313 PolarHBondContact O-N 3.42Å; K313-L315 PolarHBondContact O-N 2.78Å |
| 314 | P | 49.2 | Very low | 47.9 | Very low | 121 Ų | 121 | 118.6 Ų | 118.6 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | | | trans | -53.3 | 119.7 | -178.3 | 22.6 | -33.3 | 0 | 0 | 0 | 107.9 | T316 | P314-T316 PolarHBondContact O-N 2.69Š|
| 315 | L | 47.1 | Very low | 46.8 | Very low | 170 Ų | 170 | 122 Ų | 122 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | | | trans | -55.2 | 107.7 | -171.7 | -71.9 | 172.7 | 0 | 0 | 0 | 108.4 | K313 S317 | K313-L315 PolarHBondContact O-N 2.78Å; L315-S317 PolarHBondContact O-N 3.2Å |
| 316 | T | 47.1 | Very low | 45.9 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | | | trans | -61.5 | 102.9 | 175.7 | 49.5 | 0 | 0 | 0 | 0 | 106.5 | P314 S318 | P314-T316 PolarHBondContact O-N 2.69Å; T316-S318 PolarHBondContact O-N 3.24Å |
| 317 | S | 38.9 | Very low | 45.3 | Very low | 98 Ų | 98 | 124 Ų | 124 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | trans | -61.4 | 101.3 | -175.3 | 52.8 | 0 | 0 | 0 | 0 | 108.5 | L315 S319 | L315-S317 PolarHBondContact O-N 3.2Å; S317-S319 PolarHBondContact O-N 3.07Å |
| 318 | S | 40.9 | Very low | 44.8 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -74.7 | 50.6 | 178.2 | 51.5 | 0 | 0 | 0 | 0 | 110.7 | T316 H320 | T316-S318 PolarHBondContact O-N 3.24Å; S318-H320 PolarHBondContact O-N 2.88Å |
| 319 | S | 41.7 | Very low | 44 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | -74.5 | 49 | 178.8 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | S317 G321 | S317-S319 PolarHBondContact O-N 3.07Å; S319-G321 PolarHBondContact O-N 2.95Å |
| 320 | H | 42.5 | Very low | 43.6 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | trans | -76.3 | 41.2 | 168 | -156.4 | -64.2 | 0 | 0 | 0 | 110.8 | S318 | S318-H320 PolarHBondContact O-N 2.88Š|
| 321 | G | 39.9 | Very low | 42.6 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | -99.7 | 85.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S319 L323 | S319-G321 PolarHBondContact O-N 2.95Å; G321-L323 PolarHBondContact O-N 2.65Å |
| 322 | S | 36.2 | Very low | 42.5 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | -63.4 | 113.3 | -173.6 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 323 | L | 37.4 | Very low | 41.9 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -135.2 | 114.2 | 149.8 | -79.5 | -176.5 | 0 | 0 | 0 | 110 | G321 | G321-L323 PolarHBondContact O-N 2.65Š|
| 324 | S | 38 | Very low | 41.2 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | -73.9 | 133.3 | 168.8 | 175.5 | 0 | 0 | 0 | 0 | 110 | | |
| 325 | T | 43.5 | Very low | 40.8 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | | | trans | -140.5 | 135.8 | 130.1 | 30.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 326 | V | 37.4 | Very low | 40.5 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -86.8 | 131.5 | 177.1 | 178 | 0 | 0 | 0 | 0 | 108.9 | | |
| 327 | C | 36.3 | Very low | 40.5 | Very low | 127 Ų | 127 | 126 Ų | 126 | 86% | 0.858 | 80% | 0.8 | S | S | * | * | | | trans | -152.4 | 117.2 | 149.7 | -158.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 328 | S | 41.3 | Very low | 40.8 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | | | trans | -79.8 | 168.5 | 170.4 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 329 | Q | 40.8 | Very low | 41.2 | Very low | 187 Ų | 187 | 131.3 Ų | 131.3 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -52.7 | 138.9 | 177.7 | -58.5 | 169.6 | 9.5 | 0 | 0 | 112.7 | | |
| 330 | T | 44 | Very low | 41.2 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | | | trans | -161.1 | 156.3 | 132.1 | 5.1 | 0 | 0 | 0 | 0 | 111 | | |
| 331 | S | 37 | Very low | 41.6 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -77.2 | 137.3 | -176.2 | -48.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 332 | S | 43.2 | Very low | 42.1 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | | | trans | -152.7 | 143.2 | 148.9 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 333 | S | 42.5 | Very low | 43.1 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | trans | -78 | 141 | 180 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 334 | G | 40.5 | Very low | 44.7 | Very low | 61 Ų | 61 | 134.5 Ų | 134.5 | 63% | 0.629 | 83% | 0.826 | S | S | * | * | | | trans | 74.1 | 122.3 | 151 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 335 | N | 41 | Very low | 46 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | | | | -172.7 | 157.7 | 88 | -87.8 | -36.1 | 0 | 0 | 0 | 111.8 | S337 | N335-S337 PolarHBondContact O-N 2.68Š|
| 336 | L | 40.6 | Very low | 47.4 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | | | trans | -78.2 | 111.6 | 179.8 | -65.6 | 171.4 | 0 | 0 | 0 | 110.6 | | |
| 337 | S | 46.6 | Very low | 49.3 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -133.6 | 132.5 | 167.5 | -92.2 | 0 | 0 | 0 | 0 | 111.2 | N335 S339 | N335-S337 PolarHBondContact O-N 2.68Å; S337-S339 PolarHBondContact O-N 3.28Å |
| 338 | K | 46.4 | Very low | 51.3 | Low | 221 Ų | 221 | 134.5 Ų | 134.5 | 96% | 0.961 | 80% | 0.798 | S | S | * | * | | | trans | -83.1 | 112.7 | -176.1 | -63.9 | 168.4 | -178.7 | 169.3 | 0 | 110.5 | | |
| 339 | S | 48.1 | Very low | 53.4 | Low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -114.3 | 113.3 | 162.2 | 57.5 | 0 | 0 | 0 | 0 | 110 | S337 L341 | S337-S339 PolarHBondContact O-N 3.28Å; S339-L341 PolarHBondContact O-N 3.28Å |
| 340 | G | 41.3 | Very low | 55.4 | Low | 84 Ų | 84 | 129.8 Ų | 129.8 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | | | trans | -80.5 | 72.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 341 | L | 51.8 | Low | 57.3 | Low | 161 Ų | 161 | 127.1 Ų | 127.1 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | -114 | 122.5 | 165.4 | -68.4 | 175.5 | 0 | 0 | 0 | 109.6 | S339 S343 | S339-L341 PolarHBondContact O-N 3.28Å; L341-S343 PolarHBondContact O-N 3.07Å |
| 342 | K | 50.8 | Low | 59.6 | Low | 209 Ų | 209 | 125.7 Ų | 125.7 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | | | trans | -70.7 | 111.7 | -179.8 | -66.1 | 177.1 | -179 | 175.2 | 0 | 109.2 | | |
| 343 | S | 56.4 | Low | 61.5 | Low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60 | 138.7 | 168.6 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | L341 V345 | L341-S343 PolarHBondContact O-N 3.07Å; S343-V345 PolarHBondContact O-N 2.8Å |
| 344 | P | 71.9 | Confident | 63.3 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 136.7 | 173.8 | 26.5 | -33.7 | 0 | 0 | 0 | 109.9 | | |
| 345 | V | 64.3 | Low | 65.3 | Low | 135 Ų | 135 | 121.7 Ų | 121.7 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 130.5 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | S343 S347 | S343-V345 PolarHBondContact O-N 2.8Å; V345-S347 PolarHBondContact O-N 3.33Å |
| 346 | P | 72.5 | Confident | 67.3 | Low | 74 Ų | 74 | 120.7 Ų | 120.7 | 48% | 0.481 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 130 | 178.5 | 24.4 | -33.5 | 0 | 0 | 0 | 110.1 | | |
| 347 | S | 78.8 | Confident | 69.4 | Low | 79 Ų | 79 | 120.3 Ų | 120.3 | 55% | 0.552 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -51 | 150.2 | 170.3 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | V345 L349 S350 L351 | V345-S347 PolarHBondContact O-N 3.33Å; S347-L349 PolarHBondContact O-N 3.48Å; S347-L349 VanDerWaalsContact O-N 3.09Å; S347-L349 PolarHBondContact OG-N 2.96Å; S347-S350 CarbonylContact O-C 3.59Å; S347-S350 WeakPolarHBondContact O-CA 3.44Å; S347-S350 WeakPolarHBondContact O-CB 3.07Å; S347-S350 PolarHBondContact O-N 2.88Å; S347-L351 PolarHBondContact O-N 3.36Å |
| 348 | R | 78.4 | Confident | 70.7 | Confident | 210 Ų | 210 | 118 Ų | 118 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -50.2 | -38.1 | 174.8 | -71.9 | -176.1 | 67 | -160.4 | -0.6 | 112 | L352 | R348-L352 WeakPolarHBondContact O-CB 3.23Å; R348-L352 VanDerWaalsContact O-CG 3.26Å; R348-L352 WeakPolarHBondContact O-CG 3.43Å; R348-L352 PolarHBondContact O-N 2.94Å |
| 349 | L | 83.8 | Confident | 71.2 | Confident | 122 Ų | 122 | 114.5 Ų | 114.5 | 64% | 0.639 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.7 | -45.9 | 174.6 | -177 | 61.2 | 0 | 0 | 0 | 111.6 | S347 L351 L352 T353 | S347-L349 PolarHBondContact O-N 3.48Å; S347-L349 VanDerWaalsContact O-N 3.09Å; S347-L349 PolarHBondContact OG-N 2.96Å; L349-L351 PolarHBondContact O-N 3.04Å; L349-L352 PolarHBondContact O-N 3.02Å; L349-T353 VanDerWaalsContact O-CB 3.31Å; L349-T353 WeakPolarHBondContact O-CB 3.35Å; L349-T353 PolarHBondContact O-N 3.24Å; L349-T353 PolarHBondContact O-OG1 2.82Å |
| 350 | S | 82.9 | Confident | 71.8 | Confident | 66 Ų | 66 | 114.6 Ų | 114.6 | 46% | 0.462 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -61.9 | -39.9 | 177 | 174.6 | 0 | 0 | 0 | 0 | 112.6 | S347 A354 | S347-S350 CarbonylContact O-C 3.59Å; S347-S350 WeakPolarHBondContact O-CA 3.44Å; S347-S350 WeakPolarHBondContact O-CB 3.07Å; S347-S350 PolarHBondContact O-N 2.88Å; S350-A354 VanDerWaalsContact O-CB 3.27Å; S350-A354 WeakPolarHBondContact O-CB 3.15Å; S350-A354 PolarHBondContact O-N 3.26Å |
| 351 | L | 84.9 | Confident | 72.1 | Confident | 91 Ų | 91 | 115.5 Ų | 115.5 | 48% | 0.476 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.8 | -44.7 | 175.2 | 179.3 | 60.4 | 0 | 0 | 0 | 111.7 | S347 L349 A354 I355 | S347-L351 PolarHBondContact O-N 3.36Å; L349-L351 PolarHBondContact O-N 3.04Å; L351-A354 WeakPolarHBondContact O-CB 3.45Å; L351-A354 PolarHBondContact O-N 3.47Å; L351-I355 HydrophobicContact CD1-CD1 4.05Å; L351-I355 HydrophobicContact CD1-CG1 4.4Å; L351-I355 HydrophobicContact CG-CD1 3.98Å; L351-I355 VanDerWaalsContact O-CG1 3.29Å; L351-I355 WeakPolarHBondContact O-CG1 3.38Å; L351-I355 PolarHBondContact O-N 3.13Å |
| 352 | L | 84.1 | Confident | 72 | Confident | 92 Ų | 92 | 114.9 Ų | 114.9 | 48% | 0.482 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.1 | -43.3 | 176.2 | -72.3 | 168.6 | 0 | 0 | 0 | 111.7 | R348 L349 A354 I355 L356 | R348-L352 WeakPolarHBondContact O-CB 3.23Å; R348-L352 VanDerWaalsContact O-CG 3.26Å; R348-L352 WeakPolarHBondContact O-CG 3.43Å; R348-L352 PolarHBondContact O-N 2.94Å; L349-L352 PolarHBondContact O-N 3.02Å; L352-A354 VanDerWaalsContact C-N 3.29Å; L352-A354 PolarHBondContact O-N 2.76Å; L352-I355 PolarHBondContact O-N 3.06Å; L352-L356 WeakPolarHBondContact O-CB 3.08Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.35Å; L352-L356 PolarHBondContact O-N 3.42Å |
| 353 | T | 83.5 | Confident | 72 | Confident | 63 Ų | 63 | 113.1 Ų | 113.1 | 39% | 0.387 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.5 | -35.5 | 173 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | L349 K357 | L349-T353 VanDerWaalsContact O-CB 3.31Å; L349-T353 WeakPolarHBondContact O-CB 3.35Å; L349-T353 PolarHBondContact O-N 3.24Å; L349-T353 PolarHBondContact O-OG1 2.82Å; T353-K357 HydrophobicContact CG2-CD 3.73Å; T353-K357 HydrophobicContact CG2-CG 4.29Å; T353-K357 VanDerWaalsContact O-CB 3.23Å; T353-K357 WeakPolarHBondContact O-CB 3.49Å; T353-K357 VanDerWaalsContact O-CG 3.22Å; T353-K357 WeakPolarHBondContact O-CG 3.39Å; T353-K357 PolarHBondContact O-N 2.89Å |
| 354 | A | 80.8 | Confident | 71.2 | Confident | 54 Ų | 54 | 118.2 Ų | 118.2 | 45% | 0.446 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.1 | -46.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S350 L351 L352 L356 K357 S358 | S350-A354 VanDerWaalsContact O-CB 3.27Å; S350-A354 WeakPolarHBondContact O-CB 3.15Å; S350-A354 PolarHBondContact O-N 3.26Å; L351-A354 WeakPolarHBondContact O-CB 3.45Å; L351-A354 PolarHBondContact O-N 3.47Å; L352-A354 VanDerWaalsContact C-N 3.29Å; L352-A354 PolarHBondContact O-N 2.76Å; A354-L356 PolarHBondContact O-N 3.2Å; A354-K357 PolarHBondContact O-N 2.84Å; A354-S358 VanDerWaalsContact O-CB 3.29Å; A354-S358 WeakPolarHBondContact O-CB 3.41Å; A354-S358 PolarHBondContact O-N 2.66Å; A354-S358 PolarHBondContact O-OG 3.32Å; A354-S358 VanDerWaalsContact O-OG 3.09Å |
| 355 | I | 82.3 | Confident | 70.1 | Confident | 99 Ų | 99 | 118.3 Ų | 118.3 | 51% | 0.508 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62.3 | -42 | 177.4 | -68.9 | 164.2 | 0 | 0 | 0 | 111.6 | L351 L352 S358 | L351-I355 HydrophobicContact CD1-CD1 4.05Å; L351-I355 HydrophobicContact CD1-CG1 4.4Å; L351-I355 HydrophobicContact CG-CD1 3.98Å; L351-I355 VanDerWaalsContact O-CG1 3.29Å; L351-I355 WeakPolarHBondContact O-CG1 3.38Å; L351-I355 PolarHBondContact O-N 3.13Å; L352-I355 PolarHBondContact O-N 3.06Å; I355-S358 WeakPolarHBondContact CA-OG 3.2Å; I355-S358 PolarHBondContact O-OG 3.03Å |
| 356 | L | 83.9 | Confident | 69 | Low | 146 Ų | 146 | 118 Ų | 118 | 76% | 0.764 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.1 | -27 | 179.1 | -68.8 | 169 | 0 | 0 | 0 | 113.1 | L352 A354 | L352-L356 WeakPolarHBondContact O-CB 3.08Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.35Å; L352-L356 PolarHBondContact O-N 3.42Å; A354-L356 PolarHBondContact O-N 3.2Å |
| 357 | K | 84 | Confident | 67.5 | Low | 171 Ų | 171 | 119.5 Ų | 119.5 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -88.2 | -20.7 | 173.6 | -70.1 | 179.1 | 67.8 | 173.7 | 0 | 113.2 | T353 A354 N359 | T353-K357 HydrophobicContact CG2-CD 3.73Å; T353-K357 HydrophobicContact CG2-CG 4.29Å; T353-K357 VanDerWaalsContact O-CB 3.23Å; T353-K357 WeakPolarHBondContact O-CB 3.49Å; T353-K357 VanDerWaalsContact O-CG 3.22Å; T353-K357 WeakPolarHBondContact O-CG 3.39Å; T353-K357 PolarHBondContact O-N 2.89Å; A354-K357 PolarHBondContact O-N 2.84Å; K357-N359 VanDerWaalsContact C-N 3.29Å; K357-N359 PolarHBondContact O-N 2.94Å |
| 358 | S | 73 | Confident | 65.8 | Low | 70 Ų | 70 | 121.5 Ų | 121.5 | 49% | 0.49 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -77.2 | 82.6 | 172.4 | 62.5 | 0 | 0 | 0 | 0 | 109.8 | A354 I355 | A354-S358 VanDerWaalsContact O-CB 3.29Å; A354-S358 WeakPolarHBondContact O-CB 3.41Å; A354-S358 PolarHBondContact O-N 2.66Å; A354-S358 PolarHBondContact O-OG 3.32Å; A354-S358 VanDerWaalsContact O-OG 3.09Å; I355-S358 WeakPolarHBondContact CA-OG 3.2Å; I355-S358 PolarHBondContact O-OG 3.03Å |
| 359 | N | 56.9 | Low | 63.9 | Low | 147 Ų | 147 | 115.9 Ų | 115.9 | 79% | 0.786 | 65% | 0.649 | S | S | * | * | | | trans | -52.7 | 123.6 | 167.9 | -124.8 | -24.6 | 0 | 0 | 0 | 108.6 | K357 S361 | K357-N359 VanDerWaalsContact C-N 3.29Å; K357-N359 PolarHBondContact O-N 2.94Å; N359-S361 PolarHBondContact O-N 3.49Å |
| 360 | P | 60.7 | Low | 61.7 | Low | 107 Ų | 107 | 115.9 Ų | 115.9 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | | | trans | -74.8 | 77.6 | -175.3 | 30.2 | -35.2 | 0 | 0 | 0 | 110.7 | H362 | P360-H362 PolarHBondContact O-N 2.76Š|
| 361 | S | 49 | Very low | 59.4 | Low | 103 Ų | 103 | 118.4 Ų | 118.4 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | | | trans | -55.7 | 130 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | N359 Q363 | N359-S361 PolarHBondContact O-N 3.49Å; S361-Q363 PolarHBondContact O-N 2.9Å |
| 362 | H | 50.2 | Low | 57.6 | Low | 149 Ų | 149 | 119 Ų | 119 | 69% | 0.69 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -76.1 | 58.5 | -174.3 | -62.2 | -76.1 | 0 | 0 | 0 | 112.9 | R21 P360 | R21-H362 PolarHBondContact NH1-NE2 2.68Å; R21-H362 PolarHBondContact NH2-NE2 2.9Å; P360-H362 PolarHBondContact O-N 2.76Å |
| 363 | Q | 49.9 | Very low | 55.5 | Low | 171 Ų | 171 | 120.5 Ų | 120.5 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | | | trans | -124.9 | 93.6 | 172.2 | -160.7 | 166.5 | 17 | 0 | 0 | 111.1 | S361 P365 | S361-Q363 PolarHBondContact O-N 2.9Å; Q363-P365 VanDerWaalsContact O-CD 3.26Å; Q363-P365 WeakPolarHBondContact O-CD 3.46Å |
| 364 | R | 39.5 | Very low | 53.6 | Low | 212 Ų | 212 | 126.3 Ų | 126.3 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | | | trans | -67.8 | 114.6 | -175.5 | -177.7 | -171.5 | -155.4 | 160.6 | 6.8 | 112.4 | L366 | R364-L366 HydrophobicContact CG-CD2 4.22Å; R364-L366 HydrophobicContact CG-CG 4.49Å |
| 365 | P | 48.8 | Very low | 51.6 | Low | 124 Ų | 124 | 128.5 Ų | 128.5 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | | | trans | -75.5 | 129.4 | 161.2 | -6.3 | 25.9 | 0 | 0 | 0 | 108.5 | Q363 | Q363-P365 VanDerWaalsContact O-CD 3.26Å; Q363-P365 WeakPolarHBondContact O-CD 3.46Å |
| 366 | L | 42.1 | Very low | 49.5 | Very low | 129 Ų | 129 | 132 Ų | 132 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | trans | -93.4 | 104.3 | 179.2 | -75.6 | 170.1 | 0 | 0 | 0 | 111.3 | R364 | R364-L366 HydrophobicContact CG-CD2 4.22Å; R364-L366 HydrophobicContact CG-CG 4.49Å |
| 367 | S | 40.4 | Very low | 47.4 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | 69.5 | 171.5 | 147.9 | -58.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 368 | P | 43.3 | Very low | 45.1 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | cis | -137.4 | 142.6 | -49.6 | 35.5 | -21.1 | 0 | 0 | 0 | 114.2 | | |
| 369 | A | 38.4 | Very low | 43.4 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -164.3 | 145.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 370 | S | 37 | Very low | 42.4 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | 53.2 | 66.1 | 158.5 | -61.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 371 | C | 35 | Very low | 41.1 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -95.3 | 124.9 | 148 | -61 | 0 | 0 | 0 | 0 | 109.1 | T373 | C371-T373 PolarHBondContact O-N 3.17Š|
| 372 | P | 47.1 | Very low | 40.6 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | | | trans | -76.6 | 110.1 | 171.8 | 29.9 | -31.5 | 0 | 0 | 0 | 110 | F374 | P372-F374 HydrophobicContact CG-CE2 4.31Å; P372-F374 PolarHBondContact O-N 2.89Å |
| 373 | T | 40.6 | Very low | 39.9 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | -67.1 | 102.3 | 176.9 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | C371 S375 | C371-T373 PolarHBondContact O-N 3.17Å; T373-S375 PolarHBondContact O-N 2.83Å; T373-S375 VanDerWaalsContact O-N 3.11Å |
| 374 | F | 42.6 | Very low | 39.7 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -77.6 | 89.2 | 166 | -77.9 | -82.8 | 0 | 0 | 0 | 109.5 | P372 L376 | P372-F374 HydrophobicContact CG-CE2 4.31Å; P372-F374 PolarHBondContact O-N 2.89Å; F374-L376 PolarHBondContact O-N 3.42Å; F374-L376 VanDerWaalsContact O-N 3.17Å |
| 375 | S | 40.1 | Very low | 39.7 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | | | trans | -62.2 | 114 | 171.4 | -67.1 | 0 | 0 | 0 | 0 | 110.5 | T373 N377 | T373-S375 PolarHBondContact O-N 2.83Å; T373-S375 VanDerWaalsContact O-N 3.11Å; S375-N377 PolarHBondContact O-N 3.11Å |
| 376 | L | 36.8 | Very low | 39.5 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | | | trans | -72.8 | 70 | 172 | -71.5 | 170.8 | 0 | 0 | 0 | 110.9 | F374 | F374-L376 PolarHBondContact O-N 3.42Å; F374-L376 VanDerWaalsContact O-N 3.17Å |
| 377 | N | 39.4 | Very low | 39.8 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | -156.2 | 77 | 174.6 | -95.4 | -38.1 | 0 | 0 | 0 | 111.8 | S375 | S375-N377 PolarHBondContact O-N 3.11Š|
| 378 | S | 36.5 | Very low | 40 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -171.3 | 94.7 | 152.9 | -83.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 379 | L | 37.7 | Very low | 39.9 | Very low | 178 Ų | 178 | 134.8 Ų | 134.8 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | | | trans | -78.9 | 159.3 | 163.5 | -81.3 | 164.7 | 0 | 0 | 0 | 110 | | |
| 380 | A | 35.4 | Very low | 40.1 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 70.2 | 124.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 381 | S | 32.8 | Very low | 40.2 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | 56.1 | 99 | 136.1 | -54.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 382 | S | 38.2 | Very low | 40.5 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | trans | -146.9 | 104.3 | 142.7 | -155.6 | 0 | 0 | 0 | 0 | 112.1 | L384 | S382-L384 WeakPolarHBondContact OG-CD1 3.3Š|
| 383 | T | 35.8 | Very low | 40.4 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | | | trans | -93.7 | 103.4 | 167.7 | -53 | 0 | 0 | 0 | 0 | 107.5 | | |
| 384 | L | 46.8 | Very low | 40.4 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -127.2 | 104.1 | -180 | -76.8 | 175.6 | 0 | 0 | 0 | 112.2 | S382 | S382-L384 WeakPolarHBondContact OG-CD1 3.3Š|
| 385 | T | 40.2 | Very low | 40.4 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -88.4 | 135.2 | 160.4 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 386 | L | 43.5 | Very low | 40.8 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | 171.3 | 122.1 | 136.9 | 178.6 | 62.6 | 0 | 0 | 0 | 112.2 | Q388 | L386-Q388 HydrophobicContact CD1-CB 4.08Å; L386-Q388 HydrophobicContact CG-CB 4.28Å |
| 387 | D | 47.7 | Very low | 41.2 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | -160.3 | 91.1 | 142.8 | -162.1 | 44 | 0 | 0 | 0 | 106.7 | | |
| 388 | Q | 45.7 | Very low | 41.8 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | | | | 84.7 | 92.1 | 64.5 | -164.6 | -161.4 | 129.3 | 0 | 0 | 114.4 | L386 | L386-Q388 HydrophobicContact CD1-CB 4.08Å; L386-Q388 HydrophobicContact CG-CB 4.28Å |
| 389 | K | 40.7 | Very low | 42.4 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -161.6 | 149.3 | 140.9 | -123.9 | 179.8 | -178.2 | 175.6 | 0 | 114.8 | | |
| 390 | I | 43 | Very low | 42.4 | Very low | 144 Ų | 144 | 143 Ų | 143 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | 77.3 | 85.9 | 158.7 | -56.2 | 164.4 | 0 | 0 | 0 | 117.3 | | |
| 391 | K | 39.5 | Very low | 42.9 | Very low | 175 Ų | 175 | 147 Ų | 147 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | | | | 56.8 | 105.7 | 116 | -168.9 | -175.1 | -177.9 | -172.4 | 0 | 117 | | |
| 392 | Q | 40.1 | Very low | 43.1 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | | -163.1 | 153.2 | 75.7 | -136.5 | 150.7 | -39.8 | 0 | 0 | 114.9 | | |
| 393 | T | 46 | Very low | 43.3 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -76.5 | 178.3 | -172.8 | 44.7 | 0 | 0 | 0 | 0 | 117 | | |
| 394 | P | 40.5 | Very low | 43.1 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | cis | -145.2 | 175.2 | -42.5 | 41.4 | -24.4 | 0 | 0 | 0 | 115.6 | | |
| 395 | S | 42.5 | Very low | 42.8 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | 179.4 | 123.5 | 131.7 | 35.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 396 | T | 49.2 | Very low | 42.7 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | | | trans | 42.7 | 120.8 | 148 | 56.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 397 | P | 43.1 | Very low | 42.5 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -115.7 | 166.8 | 173.4 | 41.5 | -32.9 | 0 | 0 | 0 | 115.7 | | |
| 398 | K | 52.7 | Low | 42 | Very low | 207 Ų | 207 | 141.7 Ų | 141.7 | 90% | 0.9 | 79% | 0.788 | S | S | * | * | | | trans | -143.8 | 104.8 | 163.7 | -75.4 | -169.4 | -180 | 174.6 | 0 | 115.4 | | |
| 399 | K | 49.4 | Very low | 41.7 | Very low | 215 Ų | 215 | 138.9 Ų | 138.9 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | | | trans | 35.7 | 130.2 | 140.3 | -56.9 | -174.6 | 178.4 | -174.8 | 0 | 121.9 | | |
| 400 | S | 38.1 | Very low | 41.3 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -104.7 | 159.2 | 161.9 | 31.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 401 | L | 45.2 | Very low | 41.2 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | -172.7 | 167.8 | 156.3 | -85.1 | -172.8 | 0 | 0 | 0 | 107.6 | | |
| 402 | S | 38.2 | Very low | 41 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | | | | -177 | 147 | -50.5 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 403 | S | 40.6 | Very low | 40.7 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | | | trans | 65.9 | 123.4 | 151.2 | 50.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 404 | C | 33.1 | Very low | 40.2 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | | 91.3 | 127.7 | 125.9 | -76.3 | 0 | 0 | 0 | 0 | 124.6 | | |
| 405 | S | 39.6 | Very low | 39.8 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | trans | 86.9 | 91.6 | 133.3 | -61.7 | 0 | 0 | 0 | 0 | 122.9 | | |
| 406 | L | 38.4 | Very low | 39.2 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | | 67.6 | 157.5 | 118.6 | -67.8 | 174.6 | 0 | 0 | 0 | 122.9 | | |
| 407 | T | 40 | Very low | 38.4 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | | | trans | 71.6 | 94.7 | 158.2 | 33.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 408 | T | 37.2 | Very low | 37.9 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | | 48.6 | 114.6 | 123 | 56 | 0 | 0 | 0 | 0 | 120.5 | | |
| 409 | G | 39.5 | Very low | 36.8 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -165.5 | 151.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 410 | S | 32.6 | Very low | 35.9 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -141.3 | -176.7 | 179.4 | -164.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 411 | T | 40.2 | Very low | 35.8 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | trans | 65.5 | 104.8 | 169.5 | 55.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 412 | E | 35.8 | Very low | 35 | Very low | 166 Ų | 166 | 130 Ų | 130 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | | 85.4 | 112.6 | 119.9 | -72.3 | 179.2 | 111.1 | 0 | 0 | 123 | | |
| 413 | Q | 33.5 | Very low | 34.8 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | | 90.1 | 132.1 | 119.5 | -159.8 | 170.3 | 27.6 | 0 | 0 | 119.6 | | |
| 414 | E | 34.2 | Very low | 34.1 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | | | trans | -109.1 | 120.4 | 178.6 | 174.6 | -168.2 | 149.8 | 0 | 0 | 109.1 | | |
| 415 | Q | 32.4 | Very low | 34.1 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | -156.1 | 119.8 | 139.6 | -160.3 | 162.1 | -1.7 | 0 | 0 | 111.6 | | |
| 416 | A | 31.5 | Very low | 33.9 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | 30.9 | 117.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 417 | S | 31.6 | Very low | 33.5 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | | | | 178 | 169.5 | 107 | -161.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 418 | A | 32 | Very low | 33.1 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | | | trans | 61.9 | 102.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 419 | E | 29.1 | Very low | 32.9 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | | 80.5 | 147.3 | 118 | -134.9 | 69.6 | 169.1 | 0 | 0 | 122.8 | | |
| 420 | S | 31.6 | Very low | 32.4 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | | | trans | 70.7 | 91.4 | 155.5 | -170.9 | 0 | 0 | 0 | 0 | 120 | | |
| 421 | H | 35.5 | Very low | 32.4 | Very low | 161 Ų | 161 | 140 Ų | 140 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | | | | 48.5 | 124.4 | 124 | -52.7 | -58.2 | 0 | 0 | 0 | 120 | | |
| 422 | Q | 28.8 | Very low | 32 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | | | | 54.8 | 139 | 70.4 | -72.4 | -108.8 | -12.3 | 0 | 0 | 114.8 | | |
| 423 | P | 33.1 | Very low | 32.4 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | cis | -141.4 | -143.9 | -28.6 | 40.8 | -21.3 | 0 | 0 | 0 | 111.6 | | |
| 424 | C | 27.7 | Very low | 32.8 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 63% | 0.628 | 74% | 0.744 | S | S | * | * | | | trans | -16.1 | 138.9 | 155.2 | -53 | 0 | 0 | 0 | 0 | 116.5 | | |
| 425 | H | 32.7 | Very low | 32.7 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | | -176.1 | 129.8 | 95.9 | -100.8 | -81 | 0 | 0 | 0 | 108.9 | | |
| 426 | L | 33.8 | Very low | 32.7 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | | | | 42.9 | 97.6 | 72.8 | -81.2 | 170.2 | 0 | 0 | 0 | 110.8 | | |
| 427 | S | 31 | Very low | 32.8 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 57% | 0.573 | 74% | 0.742 | S | S | * | * | | | | 167.9 | -168.7 | 63.7 | -92 | 0 | 0 | 0 | 0 | 110.9 | | |
| 428 | F | 32.5 | Very low | 33.1 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | trans | 104 | 87.3 | 147.9 | -62.4 | -70.7 | 0 | 0 | 0 | 119.6 | | |
| 429 | F | 32 | Very low | 33.1 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | | 65.8 | 144.5 | 118.3 | -87.2 | -113.8 | 0 | 0 | 0 | 121.1 | | |
| 430 | S | 28.2 | Very low | 33.7 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 58% | 0.58 | 74% | 0.744 | S | S | * | * | | | trans | 60.6 | 97.8 | 146.5 | -60.1 | 0 | 0 | 0 | 0 | 120.3 | T432 | S430-T432 PolarHBondContact O-N 3Å; S430-T432 PolarHBondContact O-OG1 2.84Å |
| 431 | K | 34 | Very low | 34.4 | Very low | 217 Ų | 217 | 137.8 Ų | 137.8 | 94% | 0.943 | 76% | 0.755 | S | S | * | * | | | | -23.1 | 96.1 | 122.4 | 178.7 | -167.7 | 179.9 | -178.5 | 0 | 113.2 | | |
| 432 | T | 30.8 | Very low | 34.3 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | | | trans | -150.3 | 130.1 | 163.2 | 13.8 | 0 | 0 | 0 | 0 | 111.5 | S430 | S430-T432 PolarHBondContact O-N 3Å; S430-T432 PolarHBondContact O-OG1 2.84Å |
| 433 | T | 44 | Very low | 35.2 | Very low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | trans | -67.9 | 145.6 | 173 | -49.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 434 | P | 42.9 | Very low | 35.8 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | | -116.9 | 131.8 | 119.1 | -6.2 | 25.6 | 0 | 0 | 0 | 110.1 | | |
| 435 | L | 31.8 | Very low | 36.2 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | | 66 | 77 | 54.8 | -162.6 | 77 | 0 | 0 | 0 | 108.9 | | |
| 436 | S | 32.7 | Very low | 36.7 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | | 87.8 | 105.8 | 76.1 | 170.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 437 | Q | 32.6 | Very low | 37.2 | Very low | 193 Ų | 193 | 132 Ų | 132 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -159.3 | 165.7 | 151.1 | -123.4 | 173.1 | -12.3 | 0 | 0 | 111.6 | | |
| 438 | A | 38.3 | Very low | 37.6 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 66.8 | 92 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 439 | Q | 32.9 | Very low | 38.1 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | trans | -31.2 | 174.3 | 145.1 | -95.5 | -174.3 | -101 | 0 | 0 | 118.8 | | |
| 440 | P | 40.8 | Very low | 38.5 | Very low | 104 Ų | 104 | 127 Ų | 127 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | | | trans | -101.3 | -169.8 | -147.6 | 43 | -40.5 | 0 | 0 | 0 | 114.8 | | |
| 441 | P | 46.2 | Very low | 39.1 | Very low | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | | -130.6 | 176.9 | 119.2 | 38.3 | -31.1 | 0 | 0 | 0 | 115.5 | | |
| 442 | S | 33.9 | Very low | 39.4 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -88.2 | 166.7 | -167.1 | 48.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 443 | P | 46.9 | Very low | 39.8 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | trans | -89.9 | 157.4 | 178.9 | 36.9 | -37 | 0 | 0 | 0 | 114.9 | | |
| 444 | P | 47 | Very low | 39.9 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -133.2 | 174.5 | 148.3 | 38.2 | -25.4 | 0 | 0 | 0 | 112.1 | | |
| 445 | A | 36.1 | Very low | 39.8 | Very low | 81 Ų | 81 | 127 Ų | 127 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | cis | -175.9 | 173.5 | -32.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 446 | L | 43.2 | Very low | 40.5 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 94% | 0.942 | 78% | 0.78 | S | S | * | * | | | trans | 70.3 | 149.1 | 167.3 | -50.9 | 167.7 | 0 | 0 | 0 | 115.8 | | |
| 447 | A | 42.6 | Very low | 40.9 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | | | cis | -141 | 143.7 | -6.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 448 | S | 39.5 | Very low | 41.3 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | | 57.5 | 127.9 | 88.1 | -146 | 0 | 0 | 0 | 0 | 113.9 | | |
| 449 | S | 44.6 | Very low | 41.5 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | cis | -151.6 | -170.8 | 7 | 59.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 450 | S | 39.4 | Very low | 42.1 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | cis | -158.2 | -168.9 | 7.5 | -156.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 451 | Y | 40.5 | Very low | 41.8 | Very low | 230 Ų | 230 | 122.7 Ų | 122.7 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | trans | -126.8 | 152.5 | 169 | -79.5 | -111.3 | 0 | 0 | 0 | 110.8 | | |
| 452 | A | 41.6 | Very low | 41.4 | Very low | 101 Ų | 101 | 122 Ų | 122 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | | | trans | 170.4 | 150.5 | 148 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 453 | A | 38 | Very low | 41.4 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | cis | -171.8 | 156.1 | -21.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 454 | T | 46.3 | Very low | 41 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | | | trans | 55 | 141.9 | 144.9 | 53 | 0 | 0 | 0 | 0 | 120.8 | | |
| 455 | D | 39.9 | Very low | 40.6 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | | | cis | -161.3 | 178.1 | 1.3 | -135.9 | -55.8 | 0 | 0 | 0 | 113.3 | | |
| 456 | T | 48.1 | Very low | 40.5 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | trans | -0.2 | 158.5 | 153.4 | 37 | 0 | 0 | 0 | 0 | 122.4 | | |
| 457 | E | 40.1 | Very low | 39.9 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | | | cis | -155.8 | 177.7 | 8.3 | -135.4 | -175.6 | 133.6 | 0 | 0 | 114.6 | | |
| 458 | K | 40.5 | Very low | 39.8 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | trans | -1.1 | 135.2 | 160.2 | -71 | 170.2 | -168.4 | 144.3 | 0 | 119.9 | | |
| 459 | I | 43.8 | Very low | 39.9 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | | 64 | 128.3 | 52.5 | -49.1 | 160.4 | 0 | 0 | 0 | 113.6 | | |
| 460 | P | 45.3 | Very low | 39.8 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | | | cis | -140.8 | -175.7 | -36.4 | 41.6 | -22.1 | 0 | 0 | 0 | 114.5 | | |
| 461 | G | 34 | Very low | 40.6 | Very low | 64 Ų | 64 | 131.1 Ų | 131.1 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | trans | 106.3 | 165.3 | 140 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 462 | S | 38.5 | Very low | 40.4 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | 63.7 | 134.3 | -169.8 | 69.4 | 0 | 0 | 0 | 0 | 115 | | |
| 463 | T | 34 | Very low | 40.3 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | cis | 97.6 | 133.2 | 22.3 | -55.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 464 | L | 38.9 | Very low | 40.5 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | | | trans | 103.7 | 139.6 | 169.3 | -71.2 | 123.5 | 0 | 0 | 0 | 120.2 | | |
| 465 | R | 37.3 | Very low | 39.7 | Very low | 223 Ų | 223 | 134.2 Ų | 134.2 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | trans | 64.5 | 90.8 | 152.3 | -75.5 | -173 | 168.5 | -167.4 | -3.2 | 122.4 | | |
| 466 | S | 34.1 | Very low | 40 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | | 27.1 | 143.6 | 107.4 | 66.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 467 | S | 31.9 | Very low | 39.5 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | 82.9 | 124.5 | 153 | 76.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 468 | T | 39.2 | Very low | 39.7 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | | | trans | -162.4 | 146.1 | 133 | -71 | 0 | 0 | 0 | 0 | 107.9 | | |
| 469 | T | 41.9 | Very low | 39.3 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -91 | 166.9 | -173.9 | 19.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 470 | P | 42 | Very low | 39.1 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 161.8 | 178.4 | 34.3 | -36.1 | 0 | 0 | 0 | 112.9 | | |
| 471 | P | 56.7 | Low | 38.9 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 151.9 | 178.2 | 31.9 | -35.5 | 0 | 0 | 0 | 113.3 | | |
| 472 | Q | 35.6 | Very low | 39.5 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | | | trans | -133.9 | 125.3 | -178.1 | 174.4 | -173 | -11.3 | 0 | 0 | 110.2 | | |
| 473 | S | 39.6 | Very low | 40.3 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | trans | -166.5 | 149.1 | 169.6 | 48.4 | 0 | 0 | 0 | 0 | 109 | | |
| 474 | Q | 41.9 | Very low | 40.9 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | cis | -148.6 | 164.9 | -8.9 | -115.9 | 159.6 | -1.6 | 0 | 0 | 107.9 | | |
| 475 | T | 31.5 | Very low | 40.9 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | | | trans | -135.5 | 128.5 | 175.7 | -58 | 0 | 0 | 0 | 0 | 108.7 | | |
| 476 | D | 44.8 | Very low | 41.2 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | | | trans | -133.8 | 142 | 171.2 | -92.6 | -56.2 | 0 | 0 | 0 | 110.3 | | |
| 477 | L | 37.3 | Very low | 41.5 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | | | trans | -142 | 85.5 | -170.1 | -131.6 | 91 | 0 | 0 | 0 | 110.8 | | |
| 478 | F | 44.1 | Very low | 42 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | | | trans | -141.2 | 120.3 | 165.9 | -62.8 | -74.5 | 0 | 0 | 0 | 108.1 | | |
| 479 | S | 32.9 | Very low | 41.7 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | | 78.9 | 91.5 | 53 | -170.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 480 | L | 40.2 | Very low | 41.7 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -150.4 | 150.6 | 137.1 | -160.9 | 59.3 | 0 | 0 | 0 | 109.1 | | |
| 481 | A | 41.6 | Very low | 41.2 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | trans | -115.8 | 155.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 482 | D | 46 | Very low | 40.5 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -141.7 | 157.7 | 154.6 | -147.3 | -14.3 | 0 | 0 | 0 | 110.5 | | |
| 483 | V | 54.3 | Low | 40.6 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | | | trans | -151.4 | 179 | -148.7 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 484 | P | 46.4 | Very low | 40.3 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | cis | -105.2 | 178.5 | -48.9 | 33.4 | -19.5 | 0 | 0 | 0 | 112.7 | | |
| 485 | S | 40.6 | Very low | 40.2 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | 160.9 | 148.8 | 143 | -80.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 486 | V | 41.7 | Very low | 40.7 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | cis | -141.7 | 160.3 | -44.3 | -145.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 487 | T | 40.4 | Very low | 40.7 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | trans | -93.7 | -171.9 | 163.2 | 38.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 488 | P | 42.9 | Very low | 40.9 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | cis | -112.3 | -170.3 | -9.9 | 16.1 | 10.2 | 0 | 0 | 0 | 111.4 | | |
| 489 | G | 33.2 | Very low | 41.1 | Very low | 64 Ų | 64 | 128.2 Ų | 128.2 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | | | cis | 119.4 | 155.7 | 12.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 490 | L | 41.2 | Very low | 42.1 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 96% | 0.963 | 78% | 0.783 | S | S | * | * | | | trans | 86 | 130.9 | -176.7 | -51.9 | 175.5 | 0 | 0 | 0 | 118 | | |
| 491 | S | 32.7 | Very low | 42.5 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | -83.1 | 158.9 | 162.5 | -37.9 | 0 | 0 | 0 | 0 | 110 | | |
| 492 | P | 40.8 | Very low | 43.1 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | | -158.5 | 166 | 85.5 | 42.2 | -23.3 | 0 | 0 | 0 | 118.2 | | |
| 493 | L | 38.8 | Very low | 43.1 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | | | trans | 54.7 | 151.5 | 136.9 | -164.1 | 63.2 | 0 | 0 | 0 | 122.7 | | |
| 494 | S | 32 | Very low | 42.8 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | 70.3 | 159.9 | 167.4 | -79.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 495 | S | 41.2 | Very low | 42.9 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | cis | -176.9 | 160.9 | -18.7 | 55 | 0 | 0 | 0 | 0 | 109.2 | | |
| 496 | S | 40.8 | Very low | 42.9 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | cis | -174.5 | 175.1 | -23 | -175 | 0 | 0 | 0 | 0 | 108.7 | | |
| 497 | K | 44.7 | Very low | 43.3 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 68.7 | 141.8 | -173.6 | -86.5 | 81.8 | 168.3 | -173 | 0 | 116.5 | | |
| 498 | G | 42.8 | Very low | 43.5 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | cis | 141.6 | 162.6 | -21.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 499 | R | 48.9 | Very low | 43.6 | Very low | 223 Ų | 223 | 136 Ų | 136 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | | | trans | 68.5 | 120.5 | 164.4 | -41 | -127.5 | -90.1 | -124 | 5.9 | 113.6 | | |
| 500 | K | 53.5 | Low | 44.1 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | cis | -148.6 | -179.6 | 36.6 | -67.3 | 177 | 122.4 | -71.8 | 0 | 110.2 | | |
| 501 | D | 47 | Very low | 44.3 | Very low | 119 Ų | 119 | 140 Ų | 140 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | cis | -170.6 | 158 | -40.1 | -80.4 | -24.6 | 0 | 0 | 0 | 106.4 | | |
| 502 | G | 56 | Low | 44.6 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 94.6 | 148.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 503 | D | 46.1 | Very low | 44.8 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | | | | -159 | 156.7 | -84.5 | -173.9 | 20.1 | 0 | 0 | 0 | 109.5 | | |
| 504 | L | 47.8 | Very low | 44.6 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | 50.9 | 115.8 | 173.1 | -54.2 | -172.7 | 0 | 0 | 0 | 117.3 | | |
| 505 | R | 46.9 | Very low | 44.9 | Very low | 227 Ų | 227 | 141.2 Ų | 141.2 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | | | | -177.9 | 151.7 | 52.3 | -107.6 | -97.2 | -172.9 | -179.1 | 2.9 | 112.8 | | |
| 506 | A | 41.9 | Very low | 44.5 | Very low | 85 Ų | 85 | 147.6 Ų | 147.6 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | trans | 60.6 | 115.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 507 | P | 48.9 | Very low | 44.5 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -112.3 | -168.5 | 167.9 | 42.3 | -33.3 | 0 | 0 | 0 | 114.2 | | |
| 508 | E | 46.2 | Very low | 44 | Very low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | 104.1 | 137.4 | -176.3 | -64.3 | -143.1 | 113.6 | 0 | 0 | 114 | | |
| 509 | K | 45 | Very low | 43.6 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 70% | 0.704 | 76% | 0.761 | S | S | * | * | | | cis | -143.5 | 158.6 | 12 | -139.3 | 171.3 | -170.3 | 79.3 | 0 | 113.7 | | |
| 510 | N | 42.9 | Very low | 43.1 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | | | trans | -53.9 | 171 | 175.5 | -77.8 | -41.6 | 0 | 0 | 0 | 115.8 | | |
| 511 | R | 45.7 | Very low | 42.3 | Very low | 204 Ų | 204 | 139.2 Ų | 139.2 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | cis | 165.8 | 137.5 | -29.9 | -108.1 | -174.5 | -178.3 | 162 | -3.9 | 107.1 | | |
| 512 | N | 39.3 | Very low | 41.7 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | 65.7 | 165.6 | 161.6 | -45.6 | -16.3 | 0 | 0 | 0 | 114.6 | | |
| 513 | I | 45.3 | Very low | 40.9 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | cis | -145.1 | 128.7 | 25.1 | -69.1 | 173.8 | 0 | 0 | 0 | 111.9 | | |
| 514 | C | 34.4 | Very low | 40.4 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 72% | 0.716 | 76% | 0.763 | S | S | * | * | | | | 38.4 | 108.7 | 126.9 | -133.7 | 0 | 0 | 0 | 0 | 124.2 | | |
| 515 | T | 37.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | | 74.8 | 125.4 | 118.8 | -55.5 | 0 | 0 | 0 | 0 | 125.1 | | |
| 516 | R | 31.8 | Very low | 39.9 | Very low | 240 Ų | 240 | 141.2 Ų | 141.2 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | | | trans | 77 | 155.2 | 155.6 | -94.7 | -163.3 | 146.3 | 105.9 | -1.5 | 121.7 | | |
| 517 | P | 40.9 | Very low | 39.6 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | trans | -119.4 | 165.7 | -170.7 | 43.2 | -32.8 | 0 | 0 | 0 | 115.9 | | |
| 518 | S | 35.9 | Very low | 39.2 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | | -177.9 | 138.9 | 128.2 | -80 | 0 | 0 | 0 | 0 | 114.5 | | |
| 519 | T | 34.2 | Very low | 38.6 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | trans | 16.9 | 121.1 | 144.8 | -24.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 520 | L | 37.7 | Very low | 38.3 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | | 168.1 | 153.5 | 111.3 | -89.5 | 173 | 0 | 0 | 0 | 115.9 | | |
| 521 | S | 37 | Very low | 37.9 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | 56.5 | 104.1 | 147 | 60.6 | 0 | 0 | 0 | 0 | 124.7 | | |
| 522 | F | 35.3 | Very low | 37.5 | Very low | 196 Ų | 196 | 139 Ų | 139 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | | 75.1 | 131.6 | 116.6 | -76.8 | -68.4 | 0 | 0 | 0 | 125.7 | | |
| 523 | I | 37.5 | Very low | 37 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | 82.1 | 118.5 | 150.1 | -62.9 | 159.3 | 0 | 0 | 0 | 119.3 | | |
| 524 | P | 36.3 | Very low | 36.6 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -110.8 | 172 | 169.1 | 41.6 | -33.3 | 0 | 0 | 0 | 113.6 | | |
| 525 | P | 40.7 | Very low | 36.6 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -127.6 | 136.2 | 164 | 36.8 | -23.1 | 0 | 0 | 0 | 116 | | |
| 526 | I | 42.9 | Very low | 36.6 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | 74.1 | 155.2 | 139.9 | -65.9 | 172.2 | 0 | 0 | 0 | 118.5 | | |
| 527 | N | 36.7 | Very low | 37.2 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -140.8 | 127 | -162.9 | 159.2 | 88.9 | 0 | 0 | 0 | 109.6 | | |
| 528 | E | 41.1 | Very low | 37.1 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -132.9 | 142.8 | 168.9 | -86.4 | -61.3 | 159.3 | 0 | 0 | 109 | | |
| 529 | S | 33 | Very low | 37.2 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -125.9 | 117 | -163.9 | -173.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 530 | T | 38.2 | Very low | 37.6 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -145.6 | 126.4 | 170.5 | -51.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 531 | A | 33.9 | Very low | 38.5 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | -83.5 | 121.8 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 532 | L | 37.6 | Very low | 38.5 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | -138 | 144.9 | 164.1 | -90.7 | 168 | 0 | 0 | 0 | 109.3 | | |
| 533 | S | 29.1 | Very low | 39 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -88.2 | 140.4 | -171.5 | 47 | 0 | 0 | 0 | 0 | 112.8 | | |
| 534 | S | 36.2 | Very low | 39.5 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | -152.6 | 132.3 | 166.9 | -168.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 535 | S | 35.2 | Very low | 39.9 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | -32.7 | 117.4 | 176.9 | -170.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 536 | G | 37.9 | Very low | 40.1 | Very low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | -111.3 | 119.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | C538 | G536-C538 PolarHBondContact O-N 3.16Š|
| 537 | K | 44.8 | Very low | 40.4 | Very low | 193 Ų | 193 | 129.8 Ų | 129.8 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79 | 118.3 | -165.9 | -63.1 | 162.1 | -173.9 | 171.9 | 0 | 112.4 | | |
| 538 | C | 37.7 | Very low | 41 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 140.8 | 170.2 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | G536 | G536-C538 PolarHBondContact O-N 3.16Š|
| 539 | F | 38.7 | Very low | 41.4 | Very low | 213 Ų | 213 | 127.9 Ų | 127.9 | 93% | 0.934 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 134.8 | 164.2 | -83.9 | -98 | 0 | 0 | 0 | 109.8 | | |
| 540 | H | 43.2 | Very low | 42 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -109.9 | 124.8 | 175.2 | -71.1 | -99.7 | 0 | 0 | 0 | 110.2 | | |
| 541 | P | 56.4 | Low | 42.4 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | trans | -73.4 | 165.4 | 160.6 | 32.8 | -33.2 | 0 | 0 | 0 | 110.7 | | |
| 542 | S | 35.7 | Very low | 42.8 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | trans | -61.4 | 150.3 | -165.8 | -50.8 | 0 | 0 | 0 | 0 | 115.2 | A544 | S542-A544 PolarHBondContact O-N 3.46Š|
| 543 | P | 46.6 | Very low | 43.2 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -70.3 | -4.5 | -171.1 | -20.6 | 34.1 | 0 | 0 | 0 | 117.1 | L545 | P543-L545 VanDerWaalsContact C-N 3.25Å; P543-L545 PolarHBondContact O-N 3.03Å |
| 544 | A | 47.9 | Very low | 43.7 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 4 | -161.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | S542 | S542-A544 PolarHBondContact O-N 3.46Š|
| 545 | L | 44.1 | Very low | 43.6 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.9 | 11.2 | -175 | -68.3 | 175.3 | 0 | 0 | 0 | 114.6 | P543 | P543-L545 VanDerWaalsContact C-N 3.25Å; P543-L545 PolarHBondContact O-N 3.03Å |
| 546 | S | 44.7 | Very low | 43.6 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 55% | 0.545 | 74% | 0.737 | S | S | . | * | | | trans | -74.8 | -32.3 | -172.4 | -65.8 | 0 | 0 | 0 | 0 | 114.9 | L548 I549 | S546-L548 PolarHBondContact O-N 3.38Å; S546-I549 PolarHBondContact O-N 2.97Å |
| 547 | D | 50.3 | Low | 43.5 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -73.7 | -21.9 | -166.9 | -67.7 | -41.2 | 0 | 0 | 0 | 115.2 | | |
| 548 | L | 48.5 | Very low | 43.1 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -78.2 | -23.1 | 179.6 | -169.8 | 57.8 | 0 | 0 | 0 | 112.7 | S546 | S546-L548 PolarHBondContact O-N 3.38Å |
| 549 | I | 48.8 | Very low | 43.1 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 60% | 0.6 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -84.5 | -33.1 | -173.4 | -63.4 | 177.2 | 0 | 0 | 0 | 111.9 | S546 R551 S552 | S546-I549 PolarHBondContact O-N 2.97Å; I549-R551 VanDerWaalsContact C-N 3.29Å; I549-R551 PolarHBondContact O-N 2.93Å; I549-S552 PolarHBondContact O-N 2.88Å |
| 550 | D | 46.5 | Very low | 43.2 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 41% | 0.406 | 74% | 0.739 | S | S | . | * | H | α-helix | trans | -70.4 | -23 | -174.5 | -168.5 | 63.5 | 0 | 0 | 0 | 113.7 | S552 K553 R554 | D550-S552 PolarHBondContact O-N 3.03Å; D550-K553 PolarHBondContact O-N 3.26Å; D550-R554 IonicContact OD2-CZ 3.51Å; D550-R554 IonicContact OD2-NE 2.71Å; D550-R554 PolarHBondContact OD2-NE 2.84Å; D550-R554 IonicContact OD2-NH2 3.57Å; D550-R554 PolarHBondContact OD2-NH2 3.19Å |
| 551 | R | 47.7 | Very low | 42.8 | Very low | 222 Ų | 222 | 135 Ų | 135 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -13.1 | 176.4 | -154.4 | 167.8 | -173.7 | 144 | -0.7 | 113.5 | I549 | I549-R551 VanDerWaalsContact C-N 3.29Å; I549-R551 PolarHBondContact O-N 2.93Å |
| 552 | S | 40.7 | Very low | 42 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -7.6 | 176.6 | -171.9 | 0 | 0 | 0 | 0 | 113.6 | I549 D550 | I549-S552 PolarHBondContact O-N 2.88Å; D550-S552 PolarHBondContact O-N 3.03Å |
| 553 | K | 45.8 | Very low | 42.1 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -17.1 | -174 | -70.6 | -74 | -176 | 171.4 | 0 | 115 | D550 T555 | D550-K553 PolarHBondContact O-N 3.26Å; K553-T555 PolarHBondContact O-N 2.7Å |
| 554 | R | 39.9 | Very low | 41.5 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -95.1 | 48.3 | -172.6 | -73 | -171.8 | -97.1 | 154.1 | -9.7 | 114.5 | D550 | D550-R554 IonicContact OD2-CZ 3.51Å; D550-R554 IonicContact OD2-NE 2.71Å; D550-R554 PolarHBondContact OD2-NE 2.84Å; D550-R554 IonicContact OD2-NH2 3.57Å; D550-R554 PolarHBondContact OD2-NH2 3.19Å |
| 555 | T | 35.3 | Very low | 41.1 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -142.5 | 27 | -179.1 | 18.7 | 0 | 0 | 0 | 0 | 114.4 | K553 | K553-T555 PolarHBondContact O-N 2.7Š|
| 556 | C | 35.3 | Very low | 40.5 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -147.6 | 142.4 | 167.5 | -147.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 557 | S | 36 | Very low | 40.4 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | 58.2 | 82.6 | 166.3 | -58.9 | 0 | 0 | 0 | 0 | 119 | | |
| 558 | Q | 35.5 | Very low | 39.8 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 91% | 0.907 | 74% | 0.736 | S | S | * | * | | | trans | -135.8 | 87.3 | 155.4 | -171.9 | -175.5 | 7.5 | 0 | 0 | 111.7 | | |
| 559 | R | 37 | Very low | 39.3 | Very low | 219 Ų | 219 | 141.2 Ų | 141.2 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | | | trans | -170.5 | 152.1 | 160.7 | -74 | -142.8 | -172.7 | -147.6 | 3.8 | 106.5 | | |
| 560 | H | 40.5 | Very low | 38.7 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | | | cis | -135.9 | -175.7 | 5.9 | -132.6 | -79.9 | 0 | 0 | 0 | 111 | | |
| 561 | S | 36.8 | Very low | 38.7 | Very low | 77 Ų | 77 | 145.5 Ų | 145.5 | 54% | 0.538 | 77% | 0.767 | S | S | . | * | | | trans | -61 | 172.3 | 177.9 | 50.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 562 | D | 38.5 | Very low | 38.5 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | | -164 | 173 | 50.3 | -104.2 | -63.8 | 0 | 0 | 0 | 117.8 | | |
| 563 | Q | 37.7 | Very low | 38.5 | Very low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | | | trans | 89.8 | 146.2 | 167.8 | -57.9 | -149.9 | 15.3 | 0 | 0 | 121.2 | | |
| 564 | R | 33.6 | Very low | 39.1 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | | | trans | -122.3 | 163.8 | -172.8 | -138.8 | -174.9 | 83.4 | -159.6 | 5.5 | 108.2 | | |
| 565 | P | 41 | Very low | 39.2 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | | | | -135.4 | 179.5 | 76 | 16.7 | 7.2 | 0 | 0 | 0 | 115.2 | | |
| 566 | N | 31.3 | Very low | 39.2 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | | | trans | -111.8 | 169.3 | 177.1 | -141.1 | -1 | 0 | 0 | 0 | 107.1 | | |
| 567 | P | 42.4 | Very low | 39.4 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | | -152 | -179.5 | 54.4 | 43.9 | -23.3 | 0 | 0 | 0 | 118.4 | | |
| 568 | S | 37.6 | Very low | 39.5 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | 72.8 | 93.4 | 148.7 | -59 | 0 | 0 | 0 | 0 | 120.9 | | |
| 569 | A | 37.7 | Very low | 39.7 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | | 175.2 | 135.7 | 107.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 570 | L | 36.3 | Very low | 39.9 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | trans | -107.9 | 156.4 | 162.2 | -104.8 | 82.3 | 0 | 0 | 0 | 109.5 | T572 | L570-T572 HydrophobicContact CD2-CG2 4.35Š|
| 571 | P | 45.2 | Very low | 40 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | | -132.6 | 167.9 | 110.2 | 20.6 | -1.9 | 0 | 0 | 0 | 114.4 | | |
| 572 | T | 44.4 | Very low | 40.1 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 163.2 | -171.2 | 37.2 | 0 | 0 | 0 | 0 | 114.6 | L570 | L570-T572 HydrophobicContact CD2-CG2 4.35Š|
| 573 | P | 40.6 | Very low | 40.1 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 158.4 | 178.8 | 35.5 | -36.5 | 0 | 0 | 0 | 113.9 | | |
| 574 | P | 57.9 | Low | 40.6 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83 | 162.5 | 167.9 | 35.1 | -34.4 | 0 | 0 | 0 | 112.6 | | |
| 575 | V | 42.5 | Very low | 40.9 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -137.7 | 153.5 | -170.8 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 576 | S | 35.8 | Very low | 40.9 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | 108.6 | 149 | 147.8 | -46.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 577 | R | 38 | Very low | 41.3 | Very low | 246 Ų | 246 | 123.4 Ų | 123.4 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | | | trans | 92.2 | 135.5 | 142.7 | -150.2 | 174.8 | -163.7 | 138.9 | 2.5 | 117.6 | | |
| 578 | A | 39.7 | Very low | 41.3 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | cis | -168.9 | 163.5 | -26.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 579 | G | 39.8 | Very low | 41.2 | Very low | 67 Ų | 67 | 128.8 Ų | 128.8 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | 130 | 110.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 580 | S | 40.3 | Very low | 41.4 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | | 73.7 | 128.2 | 64.4 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 581 | A | 42.8 | Very low | 41.7 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | cis | -163.2 | 177.2 | -3.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 582 | S | 39.3 | Very low | 41.6 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | cis | -165.6 | 167.6 | -5.6 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 583 | H | 38.9 | Very low | 41.7 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | | | trans | -92.9 | -168.8 | 163.9 | -70.5 | -63 | 0 | 0 | 0 | 110 | | |
| 584 | P | 47.3 | Very low | 41.6 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | cis | -152.2 | -154.9 | 16.4 | 46 | -22.5 | 0 | 0 | 0 | 117.8 | | |
| 585 | H | 39.7 | Very low | 40.6 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | 76.6 | 146 | 159.8 | -96.2 | -55.7 | 0 | 0 | 0 | 118.3 | | |
| 586 | L | 41.9 | Very low | 40.4 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | cis | -126.2 | 157.9 | 0.5 | -78.7 | 133.9 | 0 | 0 | 0 | 109.7 | | |
| 587 | G | 39.8 | Very low | 40.5 | Very low | 64 Ų | 64 | 133.8 Ų | 133.8 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | | | | 86.1 | 131.2 | 72 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 588 | Y | 42.1 | Very low | 40.5 | Very low | 218 Ų | 218 | 127.2 Ų | 127.2 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | cis | -146.6 | 165.5 | 16.2 | -80.1 | -101.2 | 0 | 0 | 0 | 112.4 | | |
| 589 | S | 35.1 | Very low | 40.6 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -106.1 | 161.2 | 166.9 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 590 | I | 41.9 | Very low | 40.3 | Very low | 172 Ų | 172 | 132 Ų | 132 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | | | trans | -156.2 | 137.4 | 146.6 | -100 | 143.7 | 0 | 0 | 0 | 110.1 | | |
| 591 | L | 43.8 | Very low | 40.3 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | | | trans | -132.1 | 154.9 | 170.8 | -117.5 | 165.6 | 0 | 0 | 0 | 105.3 | | |
| 592 | P | 41 | Very low | 39.9 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | | -154.1 | -178.7 | 102.4 | 36.4 | -15.4 | 0 | 0 | 0 | 115.6 | | |
| 593 | P | 47.4 | Very low | 39.7 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | trans | -126.2 | 179.7 | -169.8 | 44 | -31.2 | 0 | 0 | 0 | 115.6 | | |
| 594 | E | 38.4 | Very low | 39.3 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | -153.5 | 131.9 | 150.3 | -99.6 | 179.3 | 174.3 | 0 | 0 | 108.3 | | |
| 595 | S | 37.2 | Very low | 38.9 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | | 76.4 | 139.9 | 81.6 | 116.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 596 | S | 38 | Very low | 38.5 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | cis | -166.9 | 171.2 | -5.8 | 51 | 0 | 0 | 0 | 0 | 112.4 | | |
| 597 | L | 38.7 | Very low | 38.1 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | | | trans | 67.8 | 147.5 | 160.6 | -76.9 | 159.6 | 0 | 0 | 0 | 118.2 | | |
| 598 | T | 38.3 | Very low | 38.1 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | | | cis | -146.8 | 159.7 | 10.4 | -38.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 599 | Q | 40.2 | Very low | 38.1 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | -13 | 161.7 | 158.2 | -55.6 | 163.3 | 30.4 | 0 | 0 | 119.7 | | |
| 600 | A | 34.8 | Very low | 38.8 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | cis | -166 | 164.9 | -13.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 601 | L | 40.1 | Very low | 38.6 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | | | | -170.8 | 165 | 58.2 | -165.8 | 72.4 | 0 | 0 | 0 | 109.2 | | |
| 602 | Q | 34.1 | Very low | 38.4 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -79.8 | 141.8 | -174.8 | -63.7 | -174.7 | -19.2 | 0 | 0 | 115.4 | | |
| 603 | R | 34.1 | Very low | 38.7 | Very low | 239 Ų | 239 | 134.7 Ų | 134.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | | -175.5 | 122.9 | 130 | -103.7 | 164.4 | -176.8 | 133.3 | -0.6 | 113.1 | | |
| 604 | S | 31 | Very low | 38.2 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -98.8 | 152.2 | 141.1 | -56.6 | 0 | 0 | 0 | 0 | 107 | | |
| 605 | P | 39 | Very low | 38.3 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | | -152.4 | 165.9 | 84.8 | 40.6 | -22.7 | 0 | 0 | 0 | 117.1 | | |
| 606 | S | 32.6 | Very low | 38.4 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | 55.2 | 131.3 | 142.8 | -60.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 607 | A | 33.1 | Very low | 38.4 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -63.8 | 153.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 608 | L | 39.9 | Very low | 38.8 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | -113.7 | 120.8 | 165.5 | -71.5 | 170.9 | 0 | 0 | 0 | 109.6 | | |
| 609 | H | 41.3 | Very low | 38.7 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | -141.7 | 125.8 | 160.8 | -162.7 | -71.4 | 0 | 0 | 0 | 108.2 | | |
| 610 | P | 49.6 | Very low | 38.6 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | | | trans | -71 | 146.9 | 179.9 | 29.9 | -34.4 | 0 | 0 | 0 | 110.7 | | |
| 611 | S | 38.8 | Very low | 39.1 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -125.9 | 122.7 | 170.9 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 612 | C | 38.6 | Very low | 39.4 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | | | trans | -90.9 | 111.5 | 178.1 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 613 | G | 46.9 | Very low | 40.2 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | | | trans | -89.5 | 133.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 614 | S | 36.7 | Very low | 41 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -147.1 | 113.4 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 615 | A | 40.5 | Very low | 41.9 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -172.3 | 111.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 616 | T | 39.6 | Very low | 42.1 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | | 60.1 | 127.8 | 129.3 | -44.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 617 | C | 38.5 | Very low | 42.6 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -89.2 | 172.9 | 173.3 | -41.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 618 | P | 46.5 | Very low | 42.9 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -133.9 | 113.8 | 142.8 | 34.1 | -19.9 | 0 | 0 | 0 | 115.7 | | |
| 619 | S | 36.9 | Very low | 43.2 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | 24.7 | 147.2 | 141.6 | 65.2 | 0 | 0 | 0 | 0 | 125.4 | | |
| 620 | R | 37.8 | Very low | 43.1 | Very low | 231 Ų | 231 | 124 Ų | 124 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | 79.4 | 141.8 | 153.9 | -122.5 | -179.1 | -96.7 | -111.1 | -1.4 | 114.7 | | |
| 621 | T | 46.5 | Very low | 42.7 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | | | cis | -155 | 153.3 | 24.1 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 622 | G | 44.5 | Very low | 42.7 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | trans | 137.5 | 136.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 623 | M | 52.8 | Low | 42.8 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | | | trans | -149.5 | 175.1 | -177.8 | -78.8 | -85.7 | -74.8 | 0 | 0 | 108 | | |
| 624 | P | 51 | Low | 42.5 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | | | cis | -126 | -165.7 | -48.1 | 39.2 | -24 | 0 | 0 | 0 | 110.2 | | |
| 625 | D | 50 | Low | 42.7 | Very low | 160 Ų | 160 | 137 Ų | 137 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | | -163.3 | 165.5 | 126.5 | -125.6 | -35.4 | 0 | 0 | 0 | 116.4 | | |
| 626 | S | 41.5 | Very low | 42.7 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | | | trans | -60.2 | 153.3 | -178.7 | -163.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 627 | T | 44.8 | Very low | 42.6 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | | -169 | 150 | 58 | -54.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 628 | A | 39.1 | Very low | 43.1 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | | | trans | -98.9 | 153.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 629 | S | 46.2 | Very low | 42.6 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -152.6 | 133.7 | 164.3 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 630 | N | 39.5 | Very low | 42.8 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | -97.1 | 138.3 | 174.9 | -88.2 | -70.9 | 0 | 0 | 0 | 110.7 | | |
| 631 | R | 40.8 | Very low | 43 | Very low | 252 Ų | 252 | 134.5 Ų | 134.5 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | | | trans | -155 | 147.2 | 155 | -110.2 | 170.2 | -165.9 | -92.5 | -1 | 110.7 | | |
| 632 | S | 38 | Very low | 42.7 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -130 | 138.9 | -167.3 | 64.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 633 | S | 41.3 | Very low | 42.4 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -155.6 | 105.6 | 160 | 50.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 634 | R | 39.4 | Very low | 41.5 | Very low | 226 Ų | 226 | 136.3 Ų | 136.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | | 84.2 | 117.6 | 68.4 | -81.3 | -171 | -177.6 | -161.9 | 2.7 | 113.7 | | |
| 635 | V | 41.7 | Very low | 40.8 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | | | trans | 74.1 | 137.8 | 141.8 | 176.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 636 | S | 40.2 | Very low | 40 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | | | cis | -128.3 | 163.4 | 9.1 | -68 | 0 | 0 | 0 | 0 | 113.6 | | |
| 637 | T | 38.3 | Very low | 39.9 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | -93.7 | 172.6 | 157.3 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 638 | P | 48.5 | Very low | 39.9 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | | | | -133.8 | 154.9 | 99 | 38.2 | -30.2 | 0 | 0 | 0 | 114.2 | | |
| 639 | S | 35.9 | Very low | 40.1 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 139.8 | 179.2 | 52 | 0 | 0 | 0 | 0 | 113.1 | | |
| 640 | L | 42.2 | Very low | 40 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 141.5 | 164.3 | -72.1 | 173.6 | 0 | 0 | 0 | 111 | | |
| 641 | P | 41.8 | Very low | 40.4 | Very low | 106 Ų | 106 | 152 Ų | 152 | 69% | 0.688 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 124.5 | -174.5 | 32.3 | -33.7 | 0 | 0 | 0 | 112.8 | S643 | P641-S643 PolarHBondContact O-N 2.94Š|
| 642 | V | 40.1 | Very low | 40.4 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 93% | 0.933 | 81% | 0.808 | S | S | * | * | | | trans | -94.1 | 85 | 166 | -179 | 0 | 0 | 0 | 0 | 108.9 | | |
| 643 | S | 37.5 | Very low | 40.6 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | trans | -104.4 | 110.2 | 179.8 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | P641 | P641-S643 PolarHBondContact O-N 2.94Š|
| 644 | L | 34.2 | Very low | 40.2 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | | | trans | 54.9 | 106.6 | 143.3 | -153.7 | 79.9 | 0 | 0 | 0 | 119 | | |
| 645 | T | 35.1 | Very low | 40.3 | Very low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | | | trans | -152.7 | 141.3 | 137.1 | -5.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 646 | R | 34.1 | Very low | 40.4 | Very low | 223 Ų | 223 | 140.7 Ų | 140.7 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | | | trans | -108.7 | 82.1 | -172.5 | 179.5 | -164.2 | -178.2 | -174.4 | 4.2 | 109.8 | | |
| 647 | T | 39.7 | Very low | 40.3 | Very low | 130 Ų | 130 | 141 Ų | 141 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | | | trans | -83.5 | 121.2 | 175.4 | 41.8 | 0 | 0 | 0 | 0 | 111.1 | E649 | T647-E649 PolarHBondContact O-N 3.12Š|
| 648 | K | 44.5 | Very low | 40.5 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | | | trans | -85.8 | 88.5 | 164.5 | -76.7 | -174.9 | 175.8 | -177 | 0 | 108.2 | | |
| 649 | E | 42.9 | Very low | 40.2 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | trans | -83.5 | 123.4 | 169.4 | -162.5 | 162.3 | -130.6 | 0 | 0 | 109.8 | T647 | T647-E649 PolarHBondContact O-N 3.12Š|
| 650 | L | 45.6 | Very low | 40.7 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | | | trans | -87.2 | 110.3 | -179.5 | -71.9 | 169.9 | 0 | 0 | 0 | 108.9 | S652 | L650-S652 VanDerWaalsContact C-N 3.31Å; L650-S652 PolarHBondContact O-N 2.86Å |
| 651 | I | 45.8 | Very low | 41.3 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | -68.9 | 92.1 | 173.9 | -57.4 | 174.4 | 0 | 0 | 0 | 108.4 | | |
| 652 | S | 41.3 | Very low | 41.7 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 66% | 0.657 | 81% | 0.814 | S | S | * | * | | | trans | -66.7 | 137.5 | 172 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | L650 C654 | L650-S652 VanDerWaalsContact C-N 3.31Å; L650-S652 PolarHBondContact O-N 2.86Å; S652-C654 PolarHBondContact O-N 2.86Å |
| 653 | P | 42.9 | Very low | 42.2 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -65.5 | 135.4 | 174.4 | 28.2 | -34.1 | 0 | 0 | 0 | 110.5 | A655 | P653-A655 PolarHBondContact O-N 2.96Å; P653-A655 VanDerWaalsContact O-N 3.13Å |
| 654 | C | 33 | Very low | 42.6 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | | | trans | -60.1 | 115.4 | -179.2 | -61.8 | 0 | 0 | 0 | 0 | 112 | S652 | S652-C654 PolarHBondContact O-N 2.86Š|
| 655 | A | 41.2 | Very low | 43.8 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -79.1 | 144.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P653 S657 | P653-A655 PolarHBondContact O-N 2.96Å; P653-A655 VanDerWaalsContact O-N 3.13Å; A655-S657 PolarHBondContact O-N 2.9Å |
| 656 | L | 44 | Very low | 44.9 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | | | trans | -74.8 | 106.3 | 177.3 | -73.7 | 162.5 | 0 | 0 | 0 | 109.8 | M658 | L656-M658 PolarHBondContact O-N 3.42Š|
| 657 | S | 36.9 | Very low | 46 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 116.2 | 174.5 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | A655 | A655-S657 PolarHBondContact O-N 2.9Š|
| 658 | M | 44.5 | Very low | 46.9 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 148.3 | 168.2 | -68.5 | -84.8 | 77.2 | 0 | 0 | 111 | L656 | L656-M658 PolarHBondContact O-N 3.42Š|
| 659 | S | 42.2 | Very low | 47.8 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 135 | -170.9 | -169.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 660 | A | 46.2 | Very low | 48.2 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -100.8 | 103 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 661 | G | 54 | Low | 49.2 | Very low | 66 Ų | 66 | 140.4 Ų | 140.4 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | trans | -77.5 | 143.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E663 | G661-E663 PolarHBondContact O-N 3.29Š|
| 662 | P | 51.2 | Low | 50.1 | Low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -88.6 | 106.2 | -176.4 | 33.2 | -32.9 | 0 | 0 | 0 | 112.5 | | |
| 663 | E | 49.8 | Very low | 51.4 | Low | 136 Ų | 136 | 142.3 Ų | 142.3 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -126.4 | 124.2 | 161 | -150.4 | -162.5 | 113.6 | 0 | 0 | 112.2 | G661 K665 | G661-E663 PolarHBondContact O-N 3.29Å; E663-K665 VanDerWaalsContact C-N 3.35Å; E663-K665 PolarHBondContact O-N 3.08Å; E663-K665 WeakPolarHBondContact OE1-CD 2.97Å; E663-K665 WeakPolarHBondContact OE1-CE 3.13Å; E663-K665 IonicContact OE1-NZ 2.69Å; E663-K665 PolarHBondContact OE1-NZ 2.99Å |
| 664 | N | 45.2 | Very low | 52.2 | Low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | trans | -84.8 | 66.7 | -169 | -66.1 | -71.3 | 0 | 0 | 0 | 112.8 | | |
| 665 | K | 59.7 | Low | 53 | Low | 162 Ų | 162 | 141.3 Ų | 141.3 | 70% | 0.704 | 78% | 0.784 | S | S | * | * | | | trans | -116.8 | 126.2 | 170.8 | -72.7 | 177.1 | -177.7 | 145.7 | 0 | 110.5 | E663 | E663-K665 VanDerWaalsContact C-N 3.35Å; E663-K665 PolarHBondContact O-N 3.08Å; E663-K665 WeakPolarHBondContact OE1-CD 2.97Å; E663-K665 WeakPolarHBondContact OE1-CE 3.13Å; E663-K665 IonicContact OE1-NZ 2.69Å; E663-K665 PolarHBondContact OE1-NZ 2.99Å |
| 666 | K | 58.5 | Low | 53.6 | Low | 203 Ų | 203 | 146.3 Ų | 146.3 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -53.5 | 122.9 | -173.9 | -67.6 | -179.7 | 178.7 | 178 | 0 | 110.6 | K668 | K666-K668 PolarHBondContact O-N 3.06Š|
| 667 | P | 56.8 | Low | 54.6 | Low | 127 Ų | 127 | 146.6 Ų | 146.6 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -66.6 | 111.9 | 178.7 | 26.2 | -33.2 | 0 | 0 | 0 | 109.7 | Q669 | P667-Q669 PolarHBondContact O-N 2.75Š|
| 668 | K | 59.1 | Low | 55.8 | Low | 159 Ų | 159 | 145.1 Ų | 145.1 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -62.5 | 118 | 166.5 | -79.6 | -177.5 | 177 | 177.5 | 0 | 107.6 | K666 Y670 | K666-K668 PolarHBondContact O-N 3.06Å; K668-Y670 VanDerWaalsContact C-N 3.26Å; K668-Y670 HydrophobicContact CB-CD2 4.05Å; K668-Y670 HydrophobicContact CB-CE2 3.6Å; K668-Y670 HydrophobicContact CD-CE2 4.38Å; K668-Y670 WeakPolarHBondContact O-CD2 3.49Å; K668-Y670 PolarHBondContact O-N 2.71Å |
| 669 | Q | 63.5 | Low | 56.3 | Low | 167 Ų | 167 | 145.2 Ų | 145.2 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | -71.9 | 83.6 | 177 | -170.8 | -174.9 | 17.7 | 0 | 0 | 109.9 | P667 K671 | P667-Q669 PolarHBondContact O-N 2.75Å; Q669-K671 VanDerWaalsContact C-N 3.31Å; Q669-K671 HydrophobicContact CG-CG 4.49Å; Q669-K671 PolarHBondContact O-N 3.36Å |
| 670 | Y | 51 | Low | 57.1 | Low | 186 Ų | 186 | 143.4 Ų | 143.4 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | | | trans | -66.1 | 91.9 | 169.3 | -71 | -82.8 | 0 | 0 | 0 | 109 | K668 T672 | K668-Y670 VanDerWaalsContact C-N 3.26Å; K668-Y670 HydrophobicContact CB-CD2 4.05Å; K668-Y670 HydrophobicContact CB-CE2 3.6Å; K668-Y670 HydrophobicContact CD-CE2 4.38Å; K668-Y670 WeakPolarHBondContact O-CD2 3.49Å; K668-Y670 PolarHBondContact O-N 2.71Å; Y670-T672 VanDerWaalsContact C-N 3.32Å; Y670-T672 PolarHBondContact O-N 3.02Å |
| 671 | K | 66.1 | Low | 57.8 | Low | 169 Ų | 169 | 143.5 Ų | 143.5 | 74% | 0.735 | 76% | 0.764 | S | S | * | * | | | trans | -65.6 | 93.7 | 167.1 | -76.7 | -173.7 | 175 | -178.7 | 0 | 108.4 | Q669 K673 | Q669-K671 VanDerWaalsContact C-N 3.31Å; Q669-K671 HydrophobicContact CG-CG 4.49Å; Q669-K671 PolarHBondContact O-N 3.36Å; K671-K673 PolarHBondContact O-N 2.86Å |
| 672 | T | 65.3 | Low | 58 | Low | 135 Ų | 135 | 146.9 Ų | 146.9 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | | | trans | -53 | 108.6 | 166.8 | -54.4 | 0 | 0 | 0 | 0 | 108.3 | Y670 S674 | Y670-T672 VanDerWaalsContact C-N 3.32Å; Y670-T672 PolarHBondContact O-N 3.02Å; T672-S674 PolarHBondContact O-N 2.85Å |
| 673 | K | 68.9 | Low | 58.4 | Low | 172 Ų | 172 | 146.5 Ų | 146.5 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -64.3 | 123.7 | 177 | -66.7 | -178.7 | 178.8 | 179.1 | 0 | 107.7 | K671 S675 | K671-K673 PolarHBondContact O-N 2.86Å; K673-S675 PolarHBondContact O-N 2.94Å |
| 674 | S | 58.7 | Low | 58.7 | Low | 131 Ų | 131 | 145.7 Ų | 145.7 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 33.6 | 176.5 | 62 | 0 | 0 | 0 | 0 | 113 | T672 | T672-S674 PolarHBondContact O-N 2.85Š|
| 675 | S | 51.3 | Low | 59.2 | Low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 2 | -178.7 | 61.7 | 0 | 0 | 0 | 0 | 112.7 | K673 K677 | K673-S675 PolarHBondContact O-N 2.94Å; S675-K677 PolarHBondContact O-N 2.93Å |
| 676 | Y | 51.9 | Low | 59.2 | Low | 194 Ų | 194 | 139.4 Ų | 139.4 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | | | trans | -74.9 | 106.4 | 168.5 | -165.3 | -99.3 | 0 | 0 | 0 | 108.6 | A678 | Y676-A678 PolarHBondContact O-N 3.49Š|
| 677 | K | 66.7 | Low | 59.2 | Low | 174 Ų | 174 | 136 Ų | 136 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | | | trans | -62.3 | 107.5 | 166.3 | -76.1 | -174.6 | 176.1 | -178.1 | 0 | 107.1 | S675 F679 | S675-K677 PolarHBondContact O-N 2.93Å; K677-F679 PolarHBondContact O-N 2.93Å |
| 678 | A | 60.3 | Low | 59.2 | Low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | | | trans | -63.1 | 103 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108 | Y676 A680 | Y676-A678 PolarHBondContact O-N 3.49Å; A678-A680 PolarHBondContact O-N 2.96Å |
| 679 | F | 55.1 | Low | 59.1 | Low | 174 Ų | 174 | 134.9 Ų | 134.9 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | | | trans | -61 | 108.7 | 162.3 | -70.6 | -87.5 | 0 | 0 | 0 | 106.1 | K677 A681 | K677-F679 PolarHBondContact O-N 2.93Å; F679-A681 PolarHBondContact O-N 3.4Å |
| 680 | A | 59.4 | Low | 58.9 | Low | 83 Ų | 83 | 134.6 Ų | 134.6 | 69% | 0.686 | 73% | 0.728 | S | S | * | * | | | trans | -56 | 133.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | A678 I682 | A678-A680 PolarHBondContact O-N 2.96Å; A680-I682 PolarHBondContact O-N 2.62Å |
| 681 | A | 62 | Low | 59.3 | Low | 100 Ų | 100 | 133 Ų | 133 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | | | trans | -56.8 | 106.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | F679 P683 | F679-A681 PolarHBondContact O-N 3.4Å; A681-P683 VanDerWaalsContact O-CD 3.28Å; A681-P683 WeakPolarHBondContact O-CD 3.36Å |
| 682 | I | 57.6 | Low | 58.9 | Low | 137 Ų | 137 | 134.3 Ų | 134.3 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | | | trans | -71.7 | 119.5 | 177.7 | -59.6 | 177.4 | 0 | 0 | 0 | 106 | A680 T684 | A680-I682 PolarHBondContact O-N 2.62Å; I682-T684 PolarHBondContact O-N 3.37Å |
| 683 | P | 58.8 | Low | 58.5 | Low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | | | trans | -68.2 | 102.4 | 168.4 | -12.5 | 29.3 | 0 | 0 | 0 | 106.7 | A681 N685 | A681-P683 VanDerWaalsContact O-CD 3.28Å; A681-P683 WeakPolarHBondContact O-CD 3.36Å; P683-N685 PolarHBondContact O-N 3.46Å |
| 684 | T | 56.7 | Low | 57.8 | Low | 119 Ų | 119 | 132.3 Ų | 132.3 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | | | trans | -73.7 | 71.5 | -177.9 | 47.5 | 0 | 0 | 0 | 0 | 110.4 | I682 T686 | I682-T684 PolarHBondContact O-N 3.37Å; T684-T686 PolarHBondContact O-N 3.46Å |
| 685 | N | 56.1 | Low | 57.6 | Low | 90 Ų | 90 | 133.7 Ų | 133.7 | 48% | 0.481 | 73% | 0.734 | S | S | . | * | | | trans | -68.8 | 100.6 | 165.5 | -174.9 | -7.6 | 0 | 0 | 0 | 108.1 | P683 L687 L688 | P683-N685 PolarHBondContact O-N 3.46Å; N685-L687 PolarHBondContact O-N 2.97Å; N685-L687 PolarHBondContact OD1-N 2.89Å; N685-L688 PolarHBondContact O-N 2.91Å |
| 686 | T | 59 | Low | 57.9 | Low | 106 Ų | 106 | 137.3 Ų | 137.3 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -60.6 | -29.5 | -176 | 45.1 | 0 | 0 | 0 | 0 | 112.8 | T684 L688 | T684-T686 PolarHBondContact O-N 3.46Å; T686-L688 PolarHBondContact O-N 3.36Å |
| 687 | L | 58 | Low | 58.2 | Low | 132 Ų | 132 | 132.6 Ų | 132.6 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -73 | 6.7 | -175.4 | -58.4 | 172 | 0 | 0 | 0 | 114.8 | N685 | N685-L687 PolarHBondContact O-N 2.97Å; N685-L687 PolarHBondContact OD1-N 2.89Å |
| 688 | L | 57.4 | Low | 56.9 | Low | 115 Ų | 115 | 128.8 Ų | 128.8 | 60% | 0.602 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -121.7 | 1.5 | -176 | -86.6 | 164.4 | 0 | 0 | 0 | 115.2 | N685 T686 | N685-L688 PolarHBondContact O-N 2.91Å; T686-L688 PolarHBondContact O-N 3.36Å |
| 689 | L | 57 | Low | 56.2 | Low | 148 Ų | 148 | 135.6 Ų | 135.6 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -86.6 | -23.6 | 172.8 | -107.6 | 67 | 0 | 0 | 0 | 113.5 | Q691 | L689-Q691 VanDerWaalsContact C-N 3.32Å; L689-Q691 PolarHBondContact O-N 2.94Å |
| 690 | E | 60.2 | Low | 55.9 | Low | 160 Ų | 160 | 133.9 Ų | 133.9 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -80.3 | -7.6 | -167.6 | -60.1 | -178 | 156.1 | 0 | 0 | 114.4 | | |
| 691 | Q | 58 | Low | 55 | Low | 154 Ų | 154 | 138.3 Ų | 138.3 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -99.2 | 27.3 | -175.6 | -62.9 | -170.3 | -11.7 | 0 | 0 | 114.4 | L689 | L689-Q691 VanDerWaalsContact C-N 3.32Å; L689-Q691 PolarHBondContact O-N 2.94Å |
| 692 | K | 59.2 | Low | 54.1 | Low | 196 Ų | 196 | 138.6 Ų | 138.6 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -137.5 | 9.9 | -178.4 | -69.2 | -66 | 158.5 | -154.7 | 0 | 116.7 | | |
| 693 | A | 56.3 | Low | 53.2 | Low | 88 Ų | 88 | 138.5 Ų | 138.5 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -107.3 | 8.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 694 | L | 53.2 | Low | 52.7 | Low | 177 Ų | 177 | 138.6 Ų | 138.6 | 93% | 0.927 | 75% | 0.752 | S | S | * | * | | | trans | -132.8 | 74.2 | -175.7 | -68.7 | 175.8 | 0 | 0 | 0 | 112.3 | | |
| 695 | D | 55.8 | Low | 52.1 | Low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | -157.5 | 81.1 | 161.3 | -160.7 | 14.4 | 0 | 0 | 0 | 109.2 | | |
| 696 | E | 57.3 | Low | 51.4 | Low | 173 Ų | 173 | 142.8 Ų | 142.8 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | -113.4 | 117.9 | 177.2 | -140.4 | -64.9 | 141.7 | 0 | 0 | 107.8 | A698 | E696-A698 PolarHBondContact O-N 3.35Š|
| 697 | P | 56.9 | Low | 50.5 | Low | 94 Ų | 94 | 143.1 Ų | 143.1 | 61% | 0.61 | 78% | 0.779 | S | S | * | * | | | trans | -85.1 | 113.5 | -158.4 | 31.2 | -35.6 | 0 | 0 | 0 | 113.6 | R699 | P697-R699 VanDerWaalsContact C-N 3.3Å; P697-R699 PolarHBondContact O-N 3.13Å |
| 698 | A | 41.4 | Very low | 49.9 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -67.6 | 73.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E696 | E696-A698 PolarHBondContact O-N 3.35Š|
| 699 | R | 45.6 | Very low | 49.2 | Very low | 231 Ų | 231 | 142 Ų | 142 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | -148.5 | 114 | 163.1 | -67.4 | -63 | 152 | 153.6 | -0.5 | 112.6 | P697 | P697-R699 VanDerWaalsContact C-N 3.3Å; P697-R699 PolarHBondContact O-N 3.13Å |
| 700 | T | 48.6 | Very low | 48.6 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -148.8 | 139.8 | 147 | -71 | 0 | 0 | 0 | 0 | 108.1 | | |
| 701 | E | 39.6 | Very low | 48 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -110.4 | 117.5 | -173.5 | 179.5 | 178.3 | 170.7 | 0 | 0 | 108.8 | | |
| 702 | S | 44.2 | Very low | 47.4 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -149 | 54.3 | -175.8 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | S704 | S702-S704 PolarHBondContact O-N 3.34Š|
| 703 | N | 38.7 | Very low | 47.1 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -35.1 | 113.1 | 165.8 | 41.6 | -81.6 | 0 | 0 | 0 | 117 | | |
| 704 | S | 47.3 | Very low | 46.5 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -152 | 154.6 | 152.1 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | S702 | S702-S704 PolarHBondContact O-N 3.34Š|
| 705 | K | 44.1 | Very low | 46.4 | Very low | 208 Ų | 208 | 136.5 Ų | 136.5 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | | | trans | -82.4 | 155.5 | -178 | -57.6 | 175.4 | 177.4 | 176.7 | 0 | 110 | | |
| 706 | A | 41.8 | Very low | 45.4 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | | 178.3 | 168.4 | 53.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 707 | S | 40.1 | Very low | 45 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | 71.5 | 138.6 | 147.7 | -159.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 708 | V | 45.2 | Very low | 44.3 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | | | cis | -160 | 138.1 | -15.9 | 126.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 709 | S | 42.9 | Very low | 44.1 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | 58.6 | 160.4 | 170.5 | 60.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 710 | D | 43.3 | Very low | 44.1 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | cis | -148.2 | 155.2 | 10.3 | -150.7 | 6.2 | 0 | 0 | 0 | 113.3 | | |
| 711 | L | 48.7 | Very low | 43.9 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | | | trans | 38.4 | 135 | 170 | -97.6 | 69.5 | 0 | 0 | 0 | 121 | V713 | L711-V713 HydrophobicContact CD2-CG2 3.98Å; L711-V713 HydrophobicContact CG-CG2 4.33Å |
| 712 | P | 45.9 | Very low | 44 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | | -135.5 | 168.2 | 82.6 | 39.6 | -29 | 0 | 0 | 0 | 115 | | |
| 713 | V | 51.1 | Low | 44.2 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 67% | 0.667 | 78% | 0.782 | S | S | * | * | | | trans | -92.1 | 142.6 | -172.1 | 178.3 | 0 | 0 | 0 | 0 | 112.5 | L711 | L711-V713 HydrophobicContact CD2-CG2 3.98Å; L711-V713 HydrophobicContact CG-CG2 4.33Å |
| 714 | E | 44.6 | Very low | 44.3 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -15.5 | 159.5 | 148.1 | -94.4 | -174.2 | 104.8 | 0 | 0 | 119 | | |
| 715 | H | 51.9 | Low | 44.2 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | | | cis | -138 | 157.2 | 17.4 | -52.4 | -95.5 | 0 | 0 | 0 | 112.5 | | |
| 716 | S | 34.7 | Very low | 43.9 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -119.8 | 150.2 | 156 | -70.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 717 | S | 48.6 | Very low | 44 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -138.4 | 130.7 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 718 | D | 41.3 | Very low | 44.4 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | trans | -84.6 | 166.3 | -170.1 | -70 | -64.2 | 0 | 0 | 0 | 115.2 | | |
| 719 | S | 37.9 | Very low | 44.4 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | 119.7 | 117.1 | 141.1 | -54.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 720 | P | 46.2 | Very low | 45.2 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | | | trans | -112.4 | 138.4 | 167.7 | 36.4 | -27.3 | 0 | 0 | 0 | 113.6 | | |
| 721 | S | 44.1 | Very low | 45.4 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -158.5 | 124.7 | 163.8 | 60.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 722 | R | 40.7 | Very low | 45.4 | Very low | 239 Ų | 239 | 134.6 Ų | 134.6 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | 55.3 | 156.4 | 150.1 | -69 | -172.6 | 70.8 | -163.1 | 1.1 | 124.1 | | |
| 723 | P | 49.7 | Very low | 45.8 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -125.9 | -174.6 | -172.7 | 45.2 | -30.9 | 0 | 0 | 0 | 115.7 | | |
| 724 | S | 40.9 | Very low | 45.8 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -156.6 | 131.2 | 161 | -80.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 725 | Q | 43.7 | Very low | 46 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | | 41.1 | 139.9 | 129.3 | -42.6 | -178.7 | 10.2 | 0 | 0 | 119.8 | | |
| 726 | T | 39.2 | Very low | 45.9 | Very low | 124 Ų | 124 | 136 Ų | 136 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | cis | -156.9 | -163.8 | 31.1 | 60.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 727 | M | 44.2 | Very low | 46.6 | Very low | 147 Ų | 147 | 136 Ų | 136 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | cis | -165.4 | 169.4 | -14.4 | -130 | -55.3 | 109.6 | 0 | 0 | 109.8 | | |
| 728 | L | 48.4 | Very low | 46.4 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | 59.5 | 143.9 | 159.6 | -61.8 | 164.6 | 0 | 0 | 0 | 119.6 | | |
| 729 | G | 44.2 | Very low | 47 | Very low | 67 Ų | 67 | 136.9 Ų | 136.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | cis | 172.2 | 148.2 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 730 | S | 58.8 | Low | 47.8 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 60.7 | 126.8 | 166.7 | -64.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 731 | E | 49.4 | Very low | 47.9 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | | | | 96.2 | 124.7 | 52.4 | -170.8 | 174.6 | -175 | 0 | 0 | 112.3 | | |
| 732 | T | 47 | Very low | 48.3 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | | -177.9 | 118.1 | 94.2 | -59.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 733 | I | 55.2 | Low | 48.7 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | | | trans | 31.2 | 124.7 | 140 | -32.8 | 167.7 | 0 | 0 | 0 | 122 | | |
| 734 | K | 51.2 | Low | 48.7 | Very low | 201 Ų | 201 | 133.2 Ų | 133.2 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | | 175.7 | 147.7 | 119.2 | -92.5 | 159.8 | -169.5 | 173.8 | 0 | 116.3 | | |
| 735 | T | 48.8 | Very low | 49.4 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | -123.2 | -162.8 | 179.4 | 55.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 736 | P | 49.4 | Very low | 50.3 | Low | 106 Ų | 106 | 139.8 Ų | 139.8 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | | | cis | -143.7 | 173.3 | 0.8 | 42 | -20.9 | 0 | 0 | 0 | 119.2 | | |
| 737 | T | 49.6 | Very low | 50.8 | Low | 121 Ų | 121 | 138.9 Ų | 138.9 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 36.7 | 128.1 | 138.8 | -52.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 738 | T | 45 | Very low | 51.7 | Low | 127 Ų | 127 | 140.6 Ų | 140.6 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | | 179.6 | 145.8 | 119.3 | -73.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 739 | H | 54.5 | Low | 52.1 | Low | 170 Ų | 170 | 142.8 Ų | 142.8 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | | | trans | -116.3 | -173.6 | 175.1 | -47.6 | -81.5 | 0 | 0 | 0 | 109.9 | | |
| 740 | P | 54.4 | Low | 52.6 | Low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | cis | -141.8 | 179.6 | -2.5 | 44 | -25.7 | 0 | 0 | 0 | 117 | | |
| 741 | R | 48.2 | Very low | 51.9 | Low | 241 Ų | 241 | 146 Ų | 146 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | 56.4 | 104 | 139.9 | -172 | -173.6 | -167.2 | 173.9 | 4.8 | 120.3 | | |
| 742 | A | 51.5 | Low | 52.1 | Low | 93 Ų | 93 | 146.1 Ų | 146.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | | 177.8 | 143.3 | 108.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 743 | A | 49.6 | Very low | 51.9 | Low | 113 Ų | 113 | 145.4 Ų | 145.4 | 93% | 0.934 | 79% | 0.792 | S | S | * | * | | | trans | 37.8 | 84 | 151.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 744 | G | 48.6 | Very low | 51.2 | Low | 76 Ų | 76 | 145.4 Ų | 145.4 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | -131 | 137.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 745 | R | 57 | Low | 51 | Low | 244 Ų | 244 | 141 Ų | 141 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | | | trans | -80.9 | 133.2 | 169.8 | -75.4 | 167.2 | 156.5 | 150.9 | -14.1 | 109 | | |
| 746 | E | 61.7 | Low | 50.9 | Low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | | -177.9 | 160.1 | 128.4 | 50.7 | -159.1 | 124.6 | 0 | 0 | 113.7 | | |
| 747 | T | 50.3 | Low | 50.4 | Low | 106 Ų | 106 | 140 Ų | 140 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | | | trans | -75.7 | 133.9 | -167.1 | -48.6 | 0 | 0 | 0 | 0 | 112.6 | Y749 | T747-Y749 HydrophobicContact CG2-CD2 3.85Å; T747-Y749 HydrophobicContact CG2-CE2 3.68Å |
| 748 | K | 62.4 | Low | 50.2 | Low | 183 Ų | 183 | 140.4 Ų | 140.4 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | trans | -118.1 | 112.3 | 160.3 | -54.3 | -61.7 | 178.8 | -167.8 | 0 | 107.6 | A750 | K748-A750 PolarHBondContact O-N 3.39Š|
| 749 | Y | 56.7 | Low | 50.3 | Low | 209 Ų | 209 | 141.1 Ų | 141.1 | 82% | 0.82 | 81% | 0.806 | S | S | * | * | | | trans | -70.3 | 128.2 | 173.3 | -77.3 | -90.9 | 0 | 0 | 0 | 109.3 | T747 | T747-Y749 HydrophobicContact CG2-CD2 3.85Å; T747-Y749 HydrophobicContact CG2-CE2 3.68Å |
| 750 | A | 55.4 | Low | 50.1 | Low | 87 Ų | 87 | 138.6 Ų | 138.6 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | | | trans | -82.4 | 119.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | K748 L752 | K748-A750 PolarHBondContact O-N 3.39Å; A750-L752 VanDerWaalsContact C-N 3.26Å; A750-L752 PolarHBondContact O-N 3.38Å |
| 751 | N | 44.3 | Very low | 50.1 | Low | 163 Ų | 163 | 140.6 Ų | 140.6 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | trans | -78.9 | 71.1 | 173.5 | -74.7 | -38.7 | 0 | 0 | 0 | 111.3 | | |
| 752 | L | 53.9 | Low | 50.7 | Low | 160 Ų | 160 | 134.2 Ų | 134.2 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -143.9 | 139.3 | 166.6 | -65.1 | 175.2 | 0 | 0 | 0 | 107.4 | A750 | A750-L752 VanDerWaalsContact C-N 3.26Å; A750-L752 PolarHBondContact O-N 3.38Å |
| 753 | S | 43.4 | Very low | 51.3 | Low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | | | cis | -147.7 | 157.8 | 9.5 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | S755 | S753-S755 PolarHBondContact O-N 3.04Š|
| 754 | S | 39.1 | Very low | 52 | Low | 130 Ų | 130 | 139.3 Ų | 139.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | -73.5 | 83.2 | 173.7 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | S756 | S754-S756 PolarHBondContact O-N 2.84Š|
| 755 | S | 47 | Very low | 53.1 | Low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -72 | 114.7 | 173.1 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | S753 | S753-S755 PolarHBondContact O-N 3.04Š|
| 756 | S | 46.3 | Very low | 54.1 | Low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -65.7 | 166.5 | 174.7 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | S754 T758 | S754-S756 PolarHBondContact O-N 2.84Å; S756-T758 PolarHBondContact O-N 2.97Å |
| 757 | S | 39.8 | Very low | 54.7 | Low | 118 Ų | 118 | 133.5 Ų | 133.5 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -58.7 | 116 | -179.8 | 49.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 758 | T | 44.6 | Very low | 56 | Low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | | | trans | -106.3 | 118.9 | 158.7 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | S756 S760 | S756-T758 PolarHBondContact O-N 2.97Å; T758-S760 PolarHBondContact O-N 3.18Å |
| 759 | T | 46.8 | Very low | 57.1 | Low | 142 Ų | 142 | 127.8 Ų | 127.8 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | | | trans | -67.6 | 110.1 | 170.5 | 42.3 | 0 | 0 | 0 | 0 | 108.8 | E761 | T759-E761 PolarHBondContact O-N 3.32Š|
| 760 | S | 52.2 | Low | 58.2 | Low | 117 Ų | 117 | 125.8 Ų | 125.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -69.6 | 98.5 | 176.9 | 58.7 | 0 | 0 | 0 | 0 | 110 | T758 S762 | T758-S760 PolarHBondContact O-N 3.18Å; S760-S762 PolarHBondContact O-N 3.22Å |
| 761 | E | 52.9 | Low | 59.2 | Low | 157 Ų | 157 | 129.6 Ų | 129.6 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -49.4 | 121.1 | 177.1 | -171.5 | -168.7 | 150.6 | 0 | 0 | 111.2 | T759 Q763 | T759-E761 PolarHBondContact O-N 3.32Å; E761-Q763 VanDerWaalsContact C-N 3.28Å; E761-Q763 PolarHBondContact O-N 3.12Å |
| 762 | S | 61 | Low | 60.9 | Low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | trans | -75.4 | 80 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | S760 L764 | S760-S762 PolarHBondContact O-N 3.22Å; S762-L764 PolarHBondContact O-N 3.48Å |
| 763 | Q | 63.7 | Low | 62 | Low | 145 Ų | 145 | 125.9 Ų | 125.9 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | trans | -54.1 | 112.9 | 176 | -73.7 | -159.7 | -3.4 | 0 | 0 | 111 | E761 T765 | E761-Q763 VanDerWaalsContact C-N 3.28Å; E761-Q763 PolarHBondContact O-N 3.12Å; Q763-T765 PolarHBondContact O-N 2.9Å; Q763-T765 PolarHBondContact O-OG1 3.3Å |
| 764 | L | 64.1 | Low | 63.4 | Low | 169 Ų | 169 | 126.7 Ų | 126.7 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | | | trans | -57.3 | 103.9 | -173.3 | -72.5 | 165.3 | 0 | 0 | 0 | 110.2 | S762 | S762-L764 PolarHBondContact O-N 3.48Š|
| 765 | T | 72.8 | Confident | 65.1 | Low | 62 Ų | 62 | 127.8 Ų | 127.8 | 38% | 0.38 | 75% | 0.752 | S | S | . | * | P | Polyproline II helix | trans | -74.7 | 139.1 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 108.8 | Q763 V769 R771 | Q763-T765 PolarHBondContact O-N 2.9Å; Q763-T765 PolarHBondContact O-OG1 3.3Å; T765-V769 HydrophobicContact CG2-CB 3.83Å; T765-V769 HydrophobicContact CG2-CG1 3.81Å; T765-V769 VanDerWaalsContact CG2-O 3.22Å; T765-V769 WeakPolarHBondContact CG2-O 3.26Å; T765-R771 PolarHBondContact OG1-NH2 3.37Å |
| 766 | K | 77.8 | Confident | 66.1 | Low | 171 Ų | 171 | 131.6 Ų | 131.6 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 143.4 | -171.6 | -66.5 | -177.4 | 179.3 | -179.3 | 0 | 111.9 | G768 V769 | K766-G768 PolarHBondContact O-N 3.47Å; K766-V769 PolarHBondContact O-N 3.07Å |
| 767 | P | 75.1 | Confident | 67.2 | Low | 139 Ų | 139 | 132 Ų | 132 | 90% | 0.903 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.5 | 126.9 | 176.9 | -28.4 | 35.2 | 0 | 0 | 0 | 112.2 | | |
| 768 | G | 77.8 | Confident | 68.3 | Low | 84 Ų | 84 | 134.6 Ų | 134.6 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.5 | -3.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K766 | K766-G768 PolarHBondContact O-N 3.47Š|
| 769 | V | 83.7 | Confident | 69.1 | Low | 85 Ų | 85 | 135.2 Ų | 135.2 | 52% | 0.515 | 75% | 0.752 | S | S | . | * | | | trans | -108.4 | 106.1 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | T765 K766 R771 | T765-V769 HydrophobicContact CG2-CB 3.83Å; T765-V769 HydrophobicContact CG2-CG1 3.81Å; T765-V769 VanDerWaalsContact CG2-O 3.22Å; T765-V769 WeakPolarHBondContact CG2-O 3.26Å; K766-V769 PolarHBondContact O-N 3.07Å; V769-R771 HydrophobicContact CG1-CG 4.47Å |
| 770 | I | 79.9 | Confident | 69.6 | Low | 166 Ų | 166 | 136.5 Ų | 136.5 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | | | trans | -89.4 | 131.5 | 174.2 | -58 | 174.6 | 0 | 0 | 0 | 109 | | |
| 771 | R | 77.4 | Confident | 69.9 | Low | 167 Ų | 167 | 138.5 Ų | 138.5 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | | | trans | -125.1 | 135.8 | 168 | -67.6 | -167.9 | -68.8 | 168.2 | -2 | 109.5 | T765 V769 V773 | T765-R771 PolarHBondContact OG1-NH2 3.37Å; V769-R771 HydrophobicContact CG1-CG 4.47Å; R771-V773 PolarHBondContact O-N 3.4Å |
| 772 | P | 80.8 | Confident | 70 | Confident | 129 Ų | 129 | 137.8 Ų | 137.8 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | trans | -61.1 | 130.5 | 170.8 | -21.1 | 33 | 0 | 0 | 0 | 110.7 | | |
| 773 | V | 75.2 | Confident | 69.8 | Low | 117 Ų | 117 | 143 Ų | 143 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | | | trans | -95 | 125.4 | 172 | 178 | 0 | 0 | 0 | 0 | 108.2 | R771 I775 | R771-V773 PolarHBondContact O-N 3.4Å; V773-I775 PolarHBondContact O-N 3.32Å |
| 774 | P | 74.6 | Confident | 69.5 | Low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | | | trans | -75 | 88.4 | 178.2 | 30.2 | -34.1 | 0 | 0 | 0 | 110.9 | K776 | P774-K776 PolarHBondContact O-N 3.44Š|
| 775 | I | 73.3 | Confident | 69.2 | Low | 153 Ų | 153 | 142.7 Ų | 142.7 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -70.4 | 117.4 | 173.8 | -58.2 | 173.9 | 0 | 0 | 0 | 108.8 | V773 | V773-I775 PolarHBondContact O-N 3.32Š|
| 776 | K | 69.6 | Low | 68.6 | Low | 189 Ų | 189 | 148.6 Ų | 148.6 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | -93 | 107.4 | 170.8 | -66 | -175.6 | 179.7 | -177.4 | 0 | 109.3 | P774 K778 | P774-K776 PolarHBondContact O-N 3.44Å; K776-K778 PolarHBondContact O-N 3.17Å |
| 777 | S | 68.4 | Low | 67.8 | Low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -65.4 | 112 | 171.1 | 39.8 | 0 | 0 | 0 | 0 | 110.2 | L779 | S777-L779 VanDerWaalsContact C-N 3.32Å; S777-L779 PolarHBondContact O-N 3.02Å; S777-L779 VanDerWaalsContact O-N 3.07Å |
| 778 | K | 62.3 | Low | 67.4 | Low | 174 Ų | 174 | 148.8 Ų | 148.8 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | | | trans | -77 | 89.1 | 164.9 | -75.7 | -171.3 | 177.2 | -177.4 | 0 | 108.2 | K776 F780 | K776-K778 PolarHBondContact O-N 3.17Å; K778-F780 VanDerWaalsContact C-N 3.31Å; K778-F780 HydrophobicContact CB-CD2 4.37Å; K778-F780 HydrophobicContact CB-CE2 4.12Å; K778-F780 PolarHBondContact O-N 3.1Å |
| 779 | L | 62.9 | Low | 67.3 | Low | 142 Ų | 142 | 153 Ų | 153 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -69.8 | 90.8 | 172.2 | -134.5 | 174.2 | 0 | 0 | 0 | 108.4 | S777 L781 | S777-L779 VanDerWaalsContact C-N 3.32Å; S777-L779 PolarHBondContact O-N 3.02Å; S777-L779 VanDerWaalsContact O-N 3.07Å; L779-L781 HydrophobicContact CD2-CD1 4.3Å; L779-L781 PolarHBondContact O-N 3.46Å |
| 780 | F | 56.9 | Low | 67.1 | Low | 169 Ų | 169 | 152.9 Ų | 152.9 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | -69.3 | 108.3 | 168.7 | -75.5 | -83.6 | 0 | 0 | 0 | 107.8 | K778 K782 | K778-F780 VanDerWaalsContact C-N 3.31Å; K778-F780 HydrophobicContact CB-CD2 4.37Å; K778-F780 HydrophobicContact CB-CE2 4.12Å; K778-F780 PolarHBondContact O-N 3.1Å; F780-K782 PolarHBondContact O-N 3.32Å |
| 781 | L | 58.8 | Low | 67.1 | Low | 159 Ų | 159 | 148.7 Ų | 148.7 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | | | trans | -69.9 | 74.7 | 162.6 | -88.8 | 78.1 | 0 | 0 | 0 | 108.8 | L779 K783 | L779-L781 HydrophobicContact CD2-CD1 4.3Å; L779-L781 PolarHBondContact O-N 3.46Å; L781-K783 PolarHBondContact O-N 3.37Å |
| 782 | K | 53.5 | Low | 67.3 | Low | 142 Ų | 142 | 144.8 Ų | 144.8 | 62% | 0.617 | 73% | 0.734 | S | S | * | * | | | trans | -69.8 | 111 | 156.6 | -152.6 | 178.4 | 171.5 | -147.1 | 0 | 104.8 | F780 E784 | F780-K782 PolarHBondContact O-N 3.32Å; K782-E784 WeakPolarHBondContact CD-OE2 3.08Å; K782-E784 WeakPolarHBondContact CE-OE1 3.49Å; K782-E784 WeakPolarHBondContact CE-OE2 3.42Å; K782-E784 IonicContact NZ-OE1 3.82Å; K782-E784 PolarHBondContact NZ-OE1 3.02Å; K782-E784 IonicContact NZ-OE2 3.36Å; K782-E784 PolarHBondContact NZ-OE2 2.85Å; K782-E784 PolarHBondContact O-N 3.01Å |
| 783 | K | 56.6 | Low | 67.1 | Low | 216 Ų | 216 | 145.3 Ų | 145.3 | 94% | 0.939 | 72% | 0.723 | S | S | * | * | | | trans | -76.6 | 60.2 | 176.1 | -165.6 | -173.7 | 179.5 | -172.3 | 0 | 108.9 | L781 | L781-K783 PolarHBondContact O-N 3.37Š|
| 784 | E | 57.9 | Low | 67.1 | Low | 130 Ų | 130 | 142.1 Ų | 142.1 | 61% | 0.607 | 71% | 0.706 | S | S | * | * | | | trans | -81.7 | 122.4 | 175.8 | -153 | 130.6 | -112.8 | 0 | 0 | 106.4 | K782 E786 | K782-E784 WeakPolarHBondContact CD-OE2 3.08Å; K782-E784 WeakPolarHBondContact CE-OE1 3.49Å; K782-E784 WeakPolarHBondContact CE-OE2 3.42Å; K782-E784 IonicContact NZ-OE1 3.82Å; K782-E784 PolarHBondContact NZ-OE1 3.02Å; K782-E784 IonicContact NZ-OE2 3.36Å; K782-E784 PolarHBondContact NZ-OE2 2.85Å; K782-E784 PolarHBondContact O-N 3.01Å; E784-E786 PolarHBondContact O-N 2.99Å |
| 785 | E | 57.8 | Low | 67.3 | Low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 69% | 0.694 | S | S | * | * | | | trans | -75 | 93.4 | -175.9 | -170.1 | 170.1 | 161.4 | 0 | 0 | 108.4 | V787 | E785-V787 PolarHBondContact O-N 3.49Š|
| 786 | E | 59.8 | Low | 67.4 | Low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 69% | 0.685 | S | S | * | * | | | trans | -66.4 | 94.3 | -179.6 | -171.2 | 167.3 | -141 | 0 | 0 | 109.3 | E784 Y788 | E784-E786 PolarHBondContact O-N 2.99Å; E786-Y788 PolarHBondContact O-N 3.23Å |
| 787 | V | 62.5 | Low | 67.4 | Low | 126 Ų | 126 | 138.7 Ų | 138.7 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | | | trans | -61.3 | 104.9 | 179.3 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | E785 E789 | E785-V787 PolarHBondContact O-N 3.49Å; V787-E789 PolarHBondContact O-N 3.21Å |
| 788 | Y | 65.5 | Low | 67.2 | Low | 188 Ų | 188 | 139.4 Ų | 139.4 | 74% | 0.737 | 67% | 0.667 | S | S | * | * | | | trans | -64.1 | 96.4 | 176.7 | 179.5 | -96.8 | 0 | 0 | 0 | 109.8 | E786 P790 | E786-Y788 PolarHBondContact O-N 3.23Å; Y788-P790 HydrophobicContact CE1-CB 4.13Å; Y788-P790 WeakPolarHBondContact O-CD 3.24Å |
| 789 | E | 75.3 | Confident | 67.2 | Low | 171 Ų | 171 | 137.2 Ų | 137.2 | 80% | 0.799 | 66% | 0.664 | S | S | * | * | | | trans | -73.7 | 115.1 | 169 | -170 | 168.9 | -139.4 | 0 | 0 | 108.4 | V787 N791 | V787-E789 PolarHBondContact O-N 3.21Å; E789-N791 PolarHBondContact O-N 3.22Å |
| 790 | P | 80.1 | Confident | 67 | Low | 84 Ų | 84 | 135.4 Ų | 135.4 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | | | trans | -67.4 | 138 | -175.7 | 27.8 | -34.5 | 0 | 0 | 0 | 110.3 | Y788 P792 | Y788-P790 HydrophobicContact CE1-CB 4.13Å; Y788-P790 WeakPolarHBondContact O-CD 3.24Å; P790-P792 VanDerWaalsContact O-N 3.1Å |
| 791 | N | 80.4 | Confident | 67.1 | Low | 78 Ų | 78 | 132.2 Ų | 132.2 | 42% | 0.417 | 66% | 0.662 | S | S | . | * | | | trans | -43.3 | 118.1 | -178.4 | 175.3 | -2.9 | 0 | 0 | 0 | 111.5 | E789 F793 S794 | E789-N791 PolarHBondContact O-N 3.22Å; N791-F793 PolarHBondContact O-N 2.78Å; N791-F793 WeakPolarHBondContact OD1-CB 3.34Å; N791-F793 WeakPolarHBondContact OD1-CD2 3.35Å; N791-F793 PolarHBondContact OD1-N 2.95Å; N791-S794 VanDerWaalsContact O-CB 3.23Å; N791-S794 WeakPolarHBondContact O-CB 3.39Å; N791-S794 PolarHBondContact O-N 3.47Å; N791-S794 PolarHBondContact O-OG 2.76Å |
| 792 | P | 80.9 | Confident | 67 | Low | 84 Ų | 84 | 127.5 Ų | 127.5 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -11.7 | -174.6 | 26.5 | -35.4 | 0 | 0 | 0 | 113.6 | P790 K795 | P790-P792 VanDerWaalsContact O-N 3.1Å; P792-K795 PolarHBondContact O-NZ 2.89Å |
| 793 | F | 75.8 | Confident | 67.1 | Low | 141 Ų | 141 | 128.2 Ų | 128.2 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -5.4 | 174 | -57.9 | -79.8 | 0 | 0 | 0 | 114.2 | N791 K795 Y796 | N791-F793 PolarHBondContact O-N 2.78Å; N791-F793 WeakPolarHBondContact OD1-CB 3.34Å; N791-F793 WeakPolarHBondContact OD1-CD2 3.35Å; N791-F793 PolarHBondContact OD1-N 2.95Å; F793-K795 VanDerWaalsContact C-N 3.29Å; F793-K795 PolarHBondContact O-N 2.98Å; F793-Y796 HydrophobicContact CB-CD2 4.39Å; F793-Y796 HydrophobicContact CD1-CD2 4.15Å; F793-Y796 HydrophobicContact CD1-CE2 4.26Å; F793-Y796 PolarHBondContact O-N 3.37Å |
| 794 | S | 76.3 | Confident | 67 | Low | 49 Ų | 49 | 127.4 Ų | 127.4 | 34% | 0.343 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -46.9 | -51 | 177.5 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | N791 Y796 L797 | N791-S794 VanDerWaalsContact O-CB 3.23Å; N791-S794 WeakPolarHBondContact O-CB 3.39Å; N791-S794 PolarHBondContact O-N 3.47Å; N791-S794 PolarHBondContact O-OG 2.76Å; S794-Y796 PolarHBondContact O-N 2.8Å; S794-L797 WeakPolarHBondContact O-CB 3.38Å; S794-L797 PolarHBondContact O-N 2.89Å |
| 795 | K | 78.4 | Confident | 66.9 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 51% | 0.513 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -54.4 | -5 | 177.2 | 68.8 | 176.8 | -172.6 | -79.9 | 0 | 117.2 | P792 F793 | P792-K795 PolarHBondContact O-NZ 2.89Å; F793-K795 VanDerWaalsContact C-N 3.29Å; F793-K795 PolarHBondContact O-N 2.98Å |
| 796 | Y | 76.3 | Confident | 66.7 | Low | 150 Ų | 150 | 127.3 Ų | 127.3 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -108.9 | -4.1 | 175.7 | -58.1 | -62 | 0 | 0 | 0 | 113.2 | F793 S794 | F793-Y796 HydrophobicContact CB-CD2 4.39Å; F793-Y796 HydrophobicContact CD1-CD2 4.15Å; F793-Y796 HydrophobicContact CD1-CE2 4.26Å; F793-Y796 PolarHBondContact O-N 3.37Å; S794-Y796 PolarHBondContact O-N 2.8Å |
| 797 | L | 68.7 | Low | 65.9 | Low | 119 Ų | 119 | 131.3 Ų | 131.3 | 62% | 0.623 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -32.5 | -179.9 | -75.1 | 165.2 | 0 | 0 | 0 | 112.7 | S794 D799 S800 | S794-L797 WeakPolarHBondContact O-CB 3.38Å; S794-L797 PolarHBondContact O-N 2.89Å; L797-D799 PolarHBondContact O-N 2.86Å; L797-S800 PolarHBondContact O-OG 2.8Å; L797-S800 VanDerWaalsContact O-OG 3.13Å |
| 798 | E | 65.4 | Low | 66.1 | Low | 122 Ų | 122 | 131.6 Ų | 131.6 | 57% | 0.57 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -63.6 | -35.7 | -178.1 | -79.1 | 78.9 | -131.8 | 0 | 0 | 114.1 | S800 S801 | E798-S800 PolarHBondContact O-N 3.03Å; E798-S801 PolarHBondContact O-N 3.5Å; E798-S801 PolarHBondContact O-OG 2.93Å |
| 799 | D | 61.8 | Low | 66.1 | Low | 128 Ų | 128 | 128.6 Ų | 128.6 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -64.3 | -17 | -169.6 | -78.2 | -19.9 | 0 | 0 | 0 | 114.7 | L797 S801 | L797-D799 PolarHBondContact O-N 2.86Å; D799-S801 PolarHBondContact O-N 3.46Å |
| 800 | S | 58.6 | Low | 65.6 | Low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -74.3 | -9 | 178.5 | 64 | 0 | 0 | 0 | 0 | 114.5 | L797 E798 | L797-S800 PolarHBondContact O-OG 2.8Å; L797-S800 VanDerWaalsContact O-OG 3.13Å; E798-S800 PolarHBondContact O-N 3.03Å |
| 801 | S | 58.4 | Low | 64.8 | Low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -100.2 | -8.5 | -168.6 | 66.2 | 0 | 0 | 0 | 0 | 116.1 | E798 D799 | E798-S801 PolarHBondContact O-N 3.5Å; E798-S801 PolarHBondContact O-OG 2.93Å; D799-S801 PolarHBondContact O-N 3.46Å |
| 802 | G | 56 | Low | 63.8 | Low | 59 Ų | 59 | 131.9 Ų | 131.9 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -95.7 | -13.5 | -168 | 0 | 0 | 0 | 0 | 0 | 117.8 | F804 | G802-F804 PolarHBondContact O-N 3.32Š|
| 803 | L | 56.5 | Low | 62.7 | Low | 158 Ų | 158 | 135.1 Ų | 135.1 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -97.3 | 21.1 | -162.1 | -72 | 171.3 | 0 | 0 | 0 | 116.2 | | |
| 804 | F | 54.8 | Low | 61.7 | Low | 199 Ų | 199 | 134.7 Ų | 134.7 | 87% | 0.873 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -127.6 | 49.3 | -178.9 | -74 | -77.2 | 0 | 0 | 0 | 113 | G802 | G802-F804 PolarHBondContact O-N 3.32Š|
| 805 | S | 56.2 | Low | 60.6 | Low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -143.9 | 14.5 | 179.1 | -66.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 806 | E | 53.8 | Low | 59.1 | Low | 193 Ų | 193 | 143.3 Ų | 143.3 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | | | trans | -142.8 | 62.8 | 176.9 | -160.7 | 173.3 | 114.7 | 0 | 0 | 112.9 | | |
| 807 | Q | 42.8 | Very low | 57.5 | Low | 270 Ų | 270 | 142.6 Ų | 142.6 | 100% | 1.262 | 78% | 0.781 | S | S | * | * | | | trans | -161.7 | 0 | 154.4 | -99 | -150.9 | -108.7 | 0 | 0 | 110.7 | | |