| 1 | M | 36.5 | Very low | 43.2 | Very low | 253 Ų | 253 | 168.3 Ų | 168.3 | 100% | 1.246 | 86% | 0.855 | S | S | * | * | | | | 0 | 160.2 | 0 | -68.3 | 176.2 | 177.5 | 0 | 0 | 108.6 | | |
| 2 | A | 46.8 | Very low | 43 | Very low | 96 Ų | 96 | 168.1 Ų | 168.1 | 79% | 0.793 | 86% | 0.856 | S | S | * | * | | | trans | -96 | 134.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 3 | Q | 41.3 | Very low | 42.7 | Very low | 181 Ų | 181 | 168.7 Ų | 168.7 | 85% | 0.846 | 86% | 0.861 | S | S | * | * | | | trans | -164.7 | 146.3 | 168.4 | -104.8 | 165.7 | -3.3 | 0 | 0 | 109.4 | | |
| 4 | Q | 47.9 | Very low | 42.8 | Very low | 146 Ų | 146 | 169.5 Ų | 169.5 | 68% | 0.682 | 86% | 0.856 | S | S | * | * | | | cis | -158.5 | 145.1 | -38.8 | -127.2 | 175 | 33.3 | 0 | 0 | 108.5 | M6 | Q4-M6 PolarHBondContact O-N 3.49Å; Q4-M6 VanDerWaalsContact O-N 3.09Å |
| 5 | N | 42.6 | Very low | 42.6 | Very low | 153 Ų | 153 | 171.2 Ų | 171.2 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | | | trans | -82.1 | 89.3 | -175.8 | -126.9 | -67 | 0 | 0 | 0 | 111.2 | K7 | N5-K7 PolarHBondContact O-N 3.5Å; N5-K7 VanDerWaalsContact O-N 3.11Å |
| 6 | M | 39.5 | Very low | 41.9 | Very low | 155 Ų | 155 | 169.1 Ų | 169.1 | 76% | 0.764 | 85% | 0.847 | S | S | * | * | | | trans | -79.3 | 90.2 | -179.5 | -83.2 | -66.1 | 171.8 | 0 | 0 | 112.4 | Q4 M8 | Q4-M6 PolarHBondContact O-N 3.49Å; Q4-M6 VanDerWaalsContact O-N 3.09Å; M6-M8 PolarHBondContact O-N 3.47Å |
| 7 | K | 44.8 | Very low | 41.4 | Very low | 186 Ų | 186 | 165.6 Ų | 165.6 | 81% | 0.809 | 84% | 0.843 | S | S | * | * | | | trans | -73.4 | 105.5 | 172.1 | -65.1 | -179.4 | 179.8 | -179.4 | 0 | 110.8 | N5 R9 | N5-K7 PolarHBondContact O-N 3.5Å; N5-K7 VanDerWaalsContact O-N 3.11Å; K7-R9 PolarHBondContact O-N 3.31Å |
| 8 | M | 44.2 | Very low | 41.3 | Very low | 191 Ų | 191 | 165.2 Ų | 165.2 | 94% | 0.941 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 129.6 | 166.9 | -73 | -166.9 | 173.5 | 0 | 0 | 110.6 | M6 | M6-M8 PolarHBondContact O-N 3.47Š|
| 9 | R | 45.5 | Very low | 41 | Very low | 227 Ų | 227 | 164.9 Ų | 164.9 | 86% | 0.857 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 127.6 | 167.8 | -68.8 | 177.3 | 174.9 | 168.7 | -2.6 | 108.4 | K7 | K7-R9 PolarHBondContact O-N 3.31Š|
| 10 | P | 47.9 | Very low | 40.9 | Very low | 130 Ų | 130 | 161.8 Ų | 161.8 | 84% | 0.844 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 136.1 | 165.1 | 28 | -32.4 | 0 | 0 | 0 | 109.7 | | |
| 11 | V | 38.4 | Very low | 40.7 | Very low | 133 Ų | 133 | 160.1 Ų | 160.1 | 81% | 0.806 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -85 | 135.9 | -178.3 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | L13 | V11-L13 PolarHBondContact O-N 3.37Š|
| 12 | L | 40.3 | Very low | 40.5 | Very low | 166 Ų | 166 | 155.3 Ų | 155.3 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | | | trans | -73.9 | 111.1 | 175.6 | -75.2 | 166.6 | 0 | 0 | 0 | 111.4 | | |
| 13 | L | 39.2 | Very low | 40 | Very low | 176 Ų | 176 | 159.8 Ų | 159.8 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | trans | -92.1 | 107.7 | 159.2 | -77.2 | 174 | 0 | 0 | 0 | 109.6 | V11 | V11-L13 PolarHBondContact O-N 3.37Š|
| 14 | K | 44.6 | Very low | 40.3 | Very low | 180 Ų | 180 | 160 Ų | 160 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | | | trans | -103.9 | 119.7 | 178.8 | 172.2 | -170.7 | 174.2 | -177.1 | 0 | 110.2 | | |
| 15 | K | 39.8 | Very low | 39.6 | Very low | 195 Ų | 195 | 164.7 Ų | 164.7 | 85% | 0.848 | 83% | 0.829 | S | S | * | * | | | trans | 179.8 | 137.7 | 154.8 | -101.5 | 160 | -177.3 | -176.5 | 0 | 108.5 | | |
| 16 | N | 30.6 | Very low | 39.5 | Very low | 137 Ų | 137 | 164.9 Ų | 164.9 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | | | cis | -153.9 | 148 | -22.6 | -110.2 | -0 | 0 | 0 | 0 | 106.3 | | |
| 17 | S | 34.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 163.4 Ų | 163.4 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | | | trans | -109.8 | 137.3 | 167.7 | 173.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 18 | L | 38.8 | Very low | 39 | Very low | 159 Ų | 159 | 162.4 Ų | 162.4 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | | | trans | -173.1 | 99.1 | 150.8 | -108.4 | 165.3 | 0 | 0 | 0 | 110.5 | | |
| 19 | D | 35.3 | Very low | 38.7 | Very low | 159 Ų | 159 | 162.1 Ų | 162.1 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | | | trans | -73.1 | 114.8 | 155.1 | -92.5 | -51.4 | 0 | 0 | 0 | 108.5 | | |
| 20 | S | 39.4 | Very low | 38.3 | Very low | 103 Ų | 103 | 163.3 Ų | 163.3 | 72% | 0.72 | 83% | 0.826 | S | S | * | * | | | trans | 179.6 | 109 | 155.9 | -81.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 21 | V | 35.7 | Very low | 38 | Very low | 126 Ų | 126 | 167.4 Ų | 167.4 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | | | trans | -140.3 | 107 | 149.9 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | F23 | V21-F23 HydrophobicContact CG1-CD2 4.48Å; V21-F23 HydrophobicContact CG1-CE2 4.24Å; V21-F23 PolarHBondContact O-N 3.32Å |
| 22 | D | 34.1 | Very low | 38 | Very low | 153 Ų | 153 | 164.8 Ų | 164.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -68.2 | 122.2 | 172.1 | -88.8 | -60.1 | 0 | 0 | 0 | 111 | | |
| 23 | F | 36.3 | Very low | 38.1 | Very low | 189 Ų | 189 | 165.6 Ų | 165.6 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | trans | -98.1 | 94.7 | 158.9 | -88.7 | -76.1 | 0 | 0 | 0 | 110.1 | V21 R25 | V21-F23 HydrophobicContact CG1-CD2 4.48Å; V21-F23 HydrophobicContact CG1-CE2 4.24Å; V21-F23 PolarHBondContact O-N 3.32Å; F23-R25 PolarHBondContact O-N 3.34Å |
| 24 | M | 46 | Very low | 38 | Very low | 187 Ų | 187 | 165.8 Ų | 165.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | trans | -45.8 | 109 | 172.8 | -77.7 | -83.9 | -79.7 | 0 | 0 | 112 | | |
| 25 | R | 34.8 | Very low | 37.8 | Very low | 243 Ų | 243 | 165.5 Ų | 165.5 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | | | trans | -130.7 | 126.5 | 170.5 | -138.4 | 175.4 | -165 | 179.6 | 6.2 | 110.4 | F23 | F23-R25 PolarHBondContact O-N 3.34Š|
| 26 | Q | 40.3 | Very low | 37.9 | Very low | 157 Ų | 157 | 164.6 Ų | 164.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -64.3 | 146.3 | -171.2 | -66 | -179.9 | -8.2 | 0 | 0 | 112.4 | H28 | Q26-H28 VanDerWaalsContact C-N 3.31Å; Q26-H28 PolarHBondContact O-N 3.02Å |
| 27 | P | 35.1 | Very low | 38.3 | Very low | 124 Ų | 124 | 162.7 Ų | 162.7 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -73.9 | 82.1 | 175.4 | 31.6 | -35.3 | 0 | 0 | 0 | 110.9 | H29 | P27-H29 PolarHBondContact O-N 3.46Å; P27-H29 VanDerWaalsContact O-N 3.11Å |
| 28 | H | 37.4 | Very low | 38.5 | Very low | 165 Ų | 165 | 168.1 Ų | 168.1 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | -61.4 | 115.3 | 169.5 | -82.3 | -66.9 | 0 | 0 | 0 | 110.2 | Q26 R30 | Q26-H28 VanDerWaalsContact C-N 3.31Å; Q26-H28 PolarHBondContact O-N 3.02Å; H28-R30 PolarHBondContact O-N 3.05Å |
| 29 | H | 38.4 | Very low | 38.4 | Very low | 186 Ų | 186 | 169 Ų | 169 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -53.4 | 109.7 | 171 | -79.1 | -91.1 | 0 | 0 | 0 | 110.5 | P27 R31 | P27-H29 PolarHBondContact O-N 3.46Å; P27-H29 VanDerWaalsContact O-N 3.11Å; H29-R31 PolarHBondContact O-N 3.41Å |
| 30 | R | 36.8 | Very low | 38.6 | Very low | 251 Ų | 251 | 168.9 Ų | 168.9 | 95% | 0.947 | 79% | 0.788 | S | S | * | * | | | trans | -65.5 | 90.7 | 161.8 | -98.6 | -170 | 171 | -170.5 | -1.6 | 108.4 | H28 S32 | H28-R30 PolarHBondContact O-N 3.05Å; R30-S32 PolarHBondContact O-N 3.01Å |
| 31 | R | 41.1 | Very low | 38.5 | Very low | 216 Ų | 216 | 171.4 Ų | 171.4 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | trans | -57.8 | 99.1 | 169.9 | 179 | -177.5 | -178.7 | -177.5 | 2.2 | 108.4 | H29 K33 | H29-R31 PolarHBondContact O-N 3.41Å; R31-K33 PolarHBondContact O-N 3.24Å |
| 32 | S | 40 | Very low | 38.4 | Very low | 78 Ų | 78 | 171.2 Ų | 171.2 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | | | trans | -59.4 | 107.9 | 169.1 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | R30 F34 | R30-S32 PolarHBondContact O-N 3.01Å; S32-F34 PolarHBondContact O-N 2.82Å; S32-F34 WeakPolarHBondContact OG-CD2 3.47Å; S32-F34 WeakPolarHBondContact OG-CE2 3.43Å |
| 33 | K | 41.3 | Very low | 38.3 | Very low | 183 Ų | 183 | 167.2 Ų | 167.2 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | trans | -74.2 | 80.1 | 165.9 | -77.2 | -171.1 | 177.9 | -177.7 | 0 | 107.5 | R31 Q35 | R31-K33 PolarHBondContact O-N 3.24Å; K33-Q35 VanDerWaalsContact C-N 3.31Å; K33-Q35 PolarHBondContact O-N 3.12Å |
| 34 | F | 37.5 | Very low | 38.2 | Very low | 180 Ų | 180 | 167.2 Ų | 167.2 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | | | trans | -61.8 | 101.3 | 156.7 | -73.6 | -76 | 0 | 0 | 0 | 107.2 | S32 Q36 | S32-F34 PolarHBondContact O-N 2.82Å; S32-F34 WeakPolarHBondContact OG-CD2 3.47Å; S32-F34 WeakPolarHBondContact OG-CE2 3.43Å; F34-Q36 VanDerWaalsContact C-N 3.34Å; F34-Q36 PolarHBondContact O-N 2.96Å |
| 35 | Q | 40.7 | Very low | 37.5 | Very low | 174 Ų | 174 | 164.5 Ų | 164.5 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -69.9 | 98.5 | 170.8 | -176.7 | 161 | -13.4 | 0 | 0 | 107 | K33 V37 | K33-Q35 VanDerWaalsContact C-N 3.31Å; K33-Q35 PolarHBondContact O-N 3.12Å; Q35-V37 HydrophobicContact CG-CG2 4.37Å; Q35-V37 PolarHBondContact O-N 3.45Å |
| 36 | Q | 42.5 | Very low | 37.9 | Very low | 177 Ų | 177 | 159.2 Ų | 159.2 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -70 | 81.9 | 176.8 | -172.9 | 179.4 | 8.9 | 0 | 0 | 108.7 | F34 R38 | F34-Q36 VanDerWaalsContact C-N 3.34Å; F34-Q36 PolarHBondContact O-N 2.96Å; Q36-R38 PolarHBondContact O-N 2.95Å |
| 37 | V | 39.2 | Very low | 37.5 | Very low | 96 Ų | 96 | 160.5 Ų | 160.5 | 58% | 0.582 | 78% | 0.775 | S | S | * | * | | | trans | -61.7 | 106.6 | 165.4 | -178.6 | 0 | 0 | 0 | 0 | 106.4 | Q35 F39 | Q35-V37 HydrophobicContact CG-CG2 4.37Å; Q35-V37 PolarHBondContact O-N 3.45Å; V37-F39 PolarHBondContact O-N 3.24Å |
| 38 | R | 37.3 | Very low | 37.4 | Very low | 224 Ų | 224 | 162.6 Ų | 162.6 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -63.3 | 107.2 | 163.9 | -95.5 | -178.9 | 163.8 | 146.6 | -6.5 | 106.7 | Q36 K40 | Q36-R38 PolarHBondContact O-N 2.95Å; R38-K40 PolarHBondContact O-N 3.01Å |
| 39 | F | 37.7 | Very low | 37 | Very low | 178 Ų | 178 | 163.9 Ų | 163.9 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | trans | -59.2 | 126.3 | 152.5 | -73 | -85.7 | 0 | 0 | 0 | 106.9 | V37 D41 | V37-F39 PolarHBondContact O-N 3.24Å; F39-D41 PolarHBondContact O-N 3.46Å |
| 40 | K | 38.6 | Very low | 36.5 | Very low | 156 Ų | 156 | 158.6 Ų | 158.6 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -88.1 | 101.4 | 174.4 | 178.6 | 170.5 | 171.2 | -83.6 | 0 | 105.7 | R38 D42 | R38-K40 PolarHBondContact O-N 3.01Å; K40-D42 VanDerWaalsContact C-N 3.26Å; K40-D42 IonicContact NZ-OD1 2.7Å; K40-D42 PolarHBondContact NZ-OD1 3.35Å; K40-D42 IonicContact NZ-OD2 3.24Å; K40-D42 PolarHBondContact NZ-OD2 3.02Å; K40-D42 PolarHBondContact O-N 3.33Å |
| 41 | D | 38.8 | Very low | 36.3 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | trans | -66.5 | 89.4 | 171.2 | -71.6 | -54.4 | 0 | 0 | 0 | 108.5 | F39 G43 | F39-D41 PolarHBondContact O-N 3.46Å; D41-G43 VanDerWaalsContact C-N 3.32Å; D41-G43 PolarHBondContact O-N 3Å |
| 42 | D | 31.9 | Very low | 35.8 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 65% | 0.652 | 78% | 0.775 | S | S | * | * | | | trans | -71.3 | 92.9 | 169.8 | -84.3 | -45.9 | 0 | 0 | 0 | 108.6 | K40 M44 | K40-D42 VanDerWaalsContact C-N 3.26Å; K40-D42 IonicContact NZ-OD1 2.7Å; K40-D42 PolarHBondContact NZ-OD1 3.35Å; K40-D42 IonicContact NZ-OD2 3.24Å; K40-D42 PolarHBondContact NZ-OD2 3.02Å; K40-D42 PolarHBondContact O-N 3.33Å; D42-M44 PolarHBondContact O-N 3.24Å; D42-M44 VanDerWaalsContact O-N 3.17Å |
| 43 | G | 32.5 | Very low | 35.3 | Very low | 68 Ų | 68 | 153.2 Ų | 153.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | trans | -65 | 111.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D41 N45 | D41-G43 VanDerWaalsContact C-N 3.32Å; D41-G43 PolarHBondContact O-N 3Å; G43-N45 VanDerWaalsContact C-N 3.33Å; G43-N45 PolarHBondContact O-N 3.37Å |
| 44 | M | 34.1 | Very low | 34.8 | Very low | 189 Ų | 189 | 151.1 Ų | 151.1 | 93% | 0.931 | 79% | 0.789 | S | S | * | * | | | trans | -62.1 | 87.9 | 167.9 | 46.4 | 179.7 | 159.3 | 0 | 0 | 111.4 | D42 T46 | D42-M44 PolarHBondContact O-N 3.24Å; D42-M44 VanDerWaalsContact O-N 3.17Å; M44-T46 PolarHBondContact O-N 3.17Å |
| 45 | N | 32.8 | Very low | 34.2 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -83.4 | 107 | 176 | -170.7 | -23.3 | 0 | 0 | 0 | 110.3 | G43 K47 | G43-N45 VanDerWaalsContact C-N 3.33Å; G43-N45 PolarHBondContact O-N 3.37Å; N45-K47 PolarHBondContact O-N 2.96Å |
| 46 | T | 41.3 | Very low | 33.7 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -71.3 | 108.8 | 172.6 | 41.7 | 0 | 0 | 0 | 0 | 111.1 | M44 | M44-T46 PolarHBondContact O-N 3.17Š|
| 47 | K | 31.9 | Very low | 33.2 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -122.6 | 130.2 | 159.5 | -77.6 | -165.2 | 173 | -172.9 | 0 | 111.5 | N45 | N45-K47 PolarHBondContact O-N 2.96Š|
| 48 | I | 33.6 | Very low | 33.4 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | trans | -101.5 | 161.1 | 173.8 | -62.9 | 169.3 | 0 | 0 | 0 | 107.4 | | |
| 49 | M | 28.6 | Very low | 33.1 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | | | trans | 91.6 | 126.4 | 159.7 | -148.8 | 162 | 66.7 | 0 | 0 | 116.7 | | |
| 50 | G | 27.5 | Very low | 32.9 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | 163 | 92.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 51 | V | 34 | Very low | 32.3 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | -119.4 | 120.1 | -177.7 | 171.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 52 | T | 29.6 | Very low | 31.9 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -171 | 120.1 | 158.9 | -17.2 | 0 | 0 | 0 | 0 | 104.7 | | |
| 53 | E | 30.6 | Very low | 31.8 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | cis | 82.9 | 103.3 | 35.5 | -156.2 | 174.9 | -112.6 | 0 | 0 | 113.6 | | |
| 54 | T | 29.3 | Very low | 31.6 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | 155.6 | 102.8 | 165.1 | 41.4 | 0 | 0 | 0 | 0 | 104.4 | | |
| 55 | D | 25.9 | Very low | 31.5 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | cis | 67.6 | 114.2 | 44.8 | -165.6 | 23.4 | 0 | 0 | 0 | 114.9 | | |
| 56 | T | 30.5 | Very low | 31.4 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | trans | -178 | 122.2 | 137.7 | -68.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 57 | H | 32.3 | Very low | 30.7 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -132.8 | 137.8 | 163.9 | -122.7 | -43.4 | 0 | 0 | 0 | 108.7 | | |
| 58 | P | 43.2 | Very low | 30.7 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | | -124.1 | 161.4 | 115.8 | -1.5 | 23.5 | 0 | 0 | 0 | 111.1 | | |
| 59 | A | 29.9 | Very low | 30.5 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | | 67.2 | 140.2 | 63.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 60 | Q | 33.2 | Very low | 30.6 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | cis | -158 | 159.3 | 17.6 | -158.5 | 163.5 | 18.6 | 0 | 0 | 113.8 | | |
| 61 | D | 25.9 | Very low | 30.7 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | trans | 9 | 137.7 | 162.7 | -53.9 | -29.9 | 0 | 0 | 0 | 123.7 | | |
| 62 | T | 31.8 | Very low | 30.5 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | | -159.4 | 142.3 | 121.5 | -68.4 | 0 | 0 | 0 | 0 | 109 | | |
| 63 | A | 28.4 | Very low | 30.4 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | | | trans | -128.1 | 148.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 64 | F | 30 | Very low | 30.3 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -162.3 | 136.3 | 154.6 | -93.7 | -58.6 | 0 | 0 | 0 | 114.4 | | |
| 65 | L | 31.5 | Very low | 30.4 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | trans | 57 | 105.6 | 145.4 | -70.5 | 158.8 | 0 | 0 | 0 | 122.8 | | |
| 66 | T | 30.7 | Very low | 30.6 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | | 36.2 | 121.3 | 129.4 | 51.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 67 | G | 26.7 | Very low | 30.7 | Very low | 75 Ų | 75 | 142.9 Ų | 142.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -171.9 | 63.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 68 | N | 31.3 | Very low | 30.8 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | 40.7 | 104.9 | 150.8 | -55.6 | -8.3 | 0 | 0 | 0 | 121.3 | | |
| 69 | T | 29.8 | Very low | 30.6 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | | | trans | 36.3 | 105.5 | 136.2 | -46.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 70 | K | 29.6 | Very low | 30.9 | Very low | 206 Ų | 206 | 146 Ų | 146 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | | | | -157.2 | 149.1 | 126.2 | -116.5 | 169.1 | -174.7 | 176.3 | 0 | 112.2 | | |
| 71 | I | 31.2 | Very low | 30.9 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | trans | -102.2 | 134 | -178.5 | -62.6 | 167.4 | 0 | 0 | 0 | 108.7 | | |
| 72 | S | 28.8 | Very low | 31.3 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -154.1 | 133 | 173 | 60 | 0 | 0 | 0 | 0 | 112.4 | | |
| 73 | G | 27.6 | Very low | 31.6 | Very low | 65 Ų | 65 | 144.8 Ų | 144.8 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | | | trans | 99.8 | 115.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 74 | H | 29 | Very low | 31.8 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | | | trans | 41.8 | 105.9 | 146.7 | -59.8 | -79.3 | 0 | 0 | 0 | 120.6 | | |
| 75 | Q | 30.7 | Very low | 32.2 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | | -163.7 | 176.3 | 121.6 | -110.3 | 165.8 | 56.2 | 0 | 0 | 112 | | |
| 76 | N | 30.9 | Very low | 32.5 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 72% | 0.717 | 82% | 0.817 | S | S | * | * | | | trans | 95.3 | 82.1 | 173.7 | -55 | -29.3 | 0 | 0 | 0 | 118.4 | | |
| 77 | F | 31.7 | Very low | 32.9 | Very low | 213 Ų | 213 | 150.8 Ų | 150.8 | 93% | 0.934 | 82% | 0.823 | S | S | * | * | | | trans | -125.6 | 105.7 | 144 | -81.1 | -74.6 | 0 | 0 | 0 | 109.1 | | |
| 78 | L | 34.4 | Very low | 33.4 | Very low | 154 Ų | 154 | 151.8 Ų | 151.8 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | | | trans | -96.8 | 120.1 | 167.3 | -85.2 | 85.2 | 0 | 0 | 0 | 109.7 | | |
| 79 | P | 39 | Very low | 33.9 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | | | trans | -94.3 | 95.8 | 169.6 | 33.7 | -28.6 | 0 | 0 | 0 | 110.5 | | |
| 80 | N | 37.2 | Very low | 34.6 | Very low | 157 Ų | 157 | 157.8 Ų | 157.8 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | | | trans | -163 | 75.2 | 168.3 | -106.3 | -26.5 | 0 | 0 | 0 | 113 | | |
| 81 | Q | 33.4 | Very low | 35 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | | | trans | -139.3 | 130.7 | 157.5 | -69.8 | -163.5 | 20.5 | 0 | 0 | 110.1 | | |
| 82 | S | 33.8 | Very low | 35.8 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 132.1 | -179.6 | -50 | 0 | 0 | 0 | 0 | 110.6 | S84 | S82-S84 PolarHBondContact O-N 2.98Š|
| 83 | P | 37.8 | Very low | 36.4 | Very low | 112 Ų | 112 | 154.2 Ų | 154.2 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 120.9 | 175.7 | 28.7 | -33.2 | 0 | 0 | 0 | 110.9 | | |
| 84 | S | 33.8 | Very low | 37 | Very low | 116 Ų | 116 | 158.5 Ų | 158.5 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 121.5 | 173.6 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | S82 | S82-S84 PolarHBondContact O-N 2.98Š|
| 85 | F | 37.3 | Very low | 37.7 | Very low | 190 Ų | 190 | 156.3 Ų | 156.3 | 83% | 0.833 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 139.8 | 176.2 | -68 | -87.1 | 0 | 0 | 0 | 112.2 | | |
| 86 | P | 37.6 | Very low | 38.2 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 145 | 171.1 | 29.2 | -34.1 | 0 | 0 | 0 | 111.3 | A88 | P86-A88 PolarHBondContact O-N 3.17Š|
| 87 | R | 38.9 | Very low | 39.1 | Very low | 248 Ų | 248 | 151.6 Ų | 151.6 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | | | trans | -71.8 | 95.4 | -175.7 | -173.2 | -173.7 | -170.5 | -170 | 5.4 | 111.5 | Q89 | R87-Q89 PolarHBondContact O-N 2.9Š|
| 88 | A | 38.5 | Very low | 39.7 | Very low | 96 Ų | 96 | 150.7 Ų | 150.7 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | | | trans | -56.2 | 134.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P86 | P86-A88 PolarHBondContact O-N 3.17Š|
| 89 | Q | 41.2 | Very low | 40.5 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | trans | -79.2 | 162.7 | 174.5 | -75.7 | -169.4 | -12.6 | 0 | 0 | 112.3 | R87 G91 | R87-Q89 PolarHBondContact O-N 2.9Å; Q89-G91 PolarHBondContact O-N 3.4Å |
| 90 | K | 45.1 | Very low | 40.5 | Very low | 224 Ų | 224 | 145.9 Ų | 145.9 | 97% | 0.974 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -81.5 | 81 | -166.4 | -169.9 | -177.9 | -177.9 | -177.3 | 0 | 112.4 | | |
| 91 | G | 36.3 | Very low | 40.9 | Very low | 66 Ų | 66 | 143.4 Ų | 143.4 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | trans | -129.8 | 119 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q89 Q93 | Q89-G91 PolarHBondContact O-N 3.4Å; G91-Q93 PolarHBondContact O-N 3.34Å |
| 92 | L | 49.1 | Very low | 41.5 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | | | trans | -89.1 | 94.1 | 176.7 | -74.9 | 168.6 | 0 | 0 | 0 | 110.7 | | |
| 93 | Q | 40.8 | Very low | 42.2 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | -94.9 | 118.1 | 163.3 | -80.8 | -173.8 | -17.9 | 0 | 0 | 110.3 | G91 I95 | G91-Q93 PolarHBondContact O-N 3.34Å; Q93-I95 PolarHBondContact O-N 3.45Å |
| 94 | N | 39.9 | Very low | 42.8 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | | | trans | -80.5 | 92.1 | 176.1 | -67 | -48.9 | 0 | 0 | 0 | 110 | A96 | N94-A96 PolarHBondContact O-N 2.66Š|
| 95 | I | 44.6 | Very low | 43.6 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -77 | 102 | 174.8 | -51.4 | 178 | 0 | 0 | 0 | 109 | Q93 I97 | Q93-I95 PolarHBondContact O-N 3.45Å; I95-I97 HydrophobicContact CG2-CG1 4Å; I95-I97 PolarHBondContact O-N 3.19Å |
| 96 | A | 41.9 | Very low | 44 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -78.1 | 81.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N94 Q98 | N94-A96 PolarHBondContact O-N 2.66Å; A96-Q98 PolarHBondContact O-N 2.77Å; A96-Q98 VanDerWaalsContact O-N 3.14Å |
| 97 | I | 48.7 | Very low | 44.3 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 64% | 0.641 | 77% | 0.773 | S | S | * | * | | | trans | -70.2 | 108.6 | 174.6 | -57.3 | 179.7 | 0 | 0 | 0 | 109.3 | I95 T99 | I95-I97 HydrophobicContact CG2-CG1 4Å; I95-I97 PolarHBondContact O-N 3.19Å; I97-T99 PolarHBondContact O-N 2.74Å |
| 98 | Q | 45 | Very low | 44.6 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | | | trans | -74.3 | 89.5 | 179.6 | -174.5 | 173 | -26.4 | 0 | 0 | 110.7 | A96 | A96-Q98 PolarHBondContact O-N 2.77Å; A96-Q98 VanDerWaalsContact O-N 3.14Å |
| 99 | T | 51.2 | Low | 44.8 | Very low | 91 Ų | 91 | 146 Ų | 146 | 56% | 0.558 | 76% | 0.76 | S | S | * | * | | | trans | -61.8 | 153.7 | 179.8 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | I97 L103 | I97-T99 PolarHBondContact O-N 2.74Å; T99-L103 HydrophobicContact CG2-CD1 4.11Å |
| 100 | S | 39.4 | Very low | 45.1 | Very low | 80 Ų | 80 | 145.8 Ų | 145.8 | 56% | 0.559 | 76% | 0.757 | S | S | * | * | | | trans | -66.3 | 156.3 | -172.4 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | S102 L103 | S100-S102 PolarHBondContact O-N 3.29Å; S100-L103 PolarHBondContact O-N 3.04Å |
| 101 | P | 45.1 | Very low | 45.4 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -59.6 | -16.7 | -165.5 | -27.7 | 36.1 | 0 | 0 | 0 | 116.7 | L103 | P101-L103 VanDerWaalsContact C-N 3.34Å; P101-L103 PolarHBondContact O-N 3.17Å |
| 102 | S | 46.7 | Very low | 46.1 | Very low | 98 Ų | 98 | 151 Ų | 151 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -70.5 | -22.7 | -174.9 | -160.8 | 0 | 0 | 0 | 0 | 114 | S100 R104 | S100-S102 PolarHBondContact O-N 3.29Å; S102-R104 PolarHBondContact O-N 2.87Å; S102-R104 VanDerWaalsContact O-N 3.16Å |
| 103 | L | 47 | Very low | 45.8 | Very low | 110 Ų | 110 | 152.2 Ų | 152.2 | 58% | 0.576 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -76.1 | 3.6 | -177.3 | -61.7 | -170.3 | 0 | 0 | 0 | 114.7 | T99 S100 P101 K105 | T99-L103 HydrophobicContact CG2-CD1 4.11Å; S100-L103 PolarHBondContact O-N 3.04Å; P101-L103 VanDerWaalsContact C-N 3.34Å; P101-L103 PolarHBondContact O-N 3.17Å; L103-K105 PolarHBondContact O-N 3.19Å |
| 104 | R | 51.6 | Low | 46.1 | Very low | 212 Ų | 212 | 153.4 Ų | 153.4 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | trans | -74.5 | 36.1 | 174.7 | -77.7 | -169.9 | -81.5 | -167.8 | -7.7 | 114.6 | S102 | S102-R104 PolarHBondContact O-N 2.87Å; S102-R104 VanDerWaalsContact O-N 3.16Å |
| 105 | K | 49.9 | Very low | 46.3 | Very low | 179 Ų | 179 | 153.9 Ų | 153.9 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | | | trans | -80.7 | 130.6 | 164.5 | -73.1 | -175.6 | 178.2 | 176 | 0 | 109.2 | L103 F107 | L103-K105 PolarHBondContact O-N 3.19Å; K105-F107 PolarHBondContact O-N 2.8Å |
| 106 | R | 45.7 | Very low | 45.9 | Very low | 228 Ų | 228 | 153.4 Ų | 153.4 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | -72.6 | 114.4 | -159.8 | -46.6 | -177.3 | -155.9 | -158.7 | 8.4 | 111.9 | | |
| 107 | F | 43.7 | Very low | 45.6 | Very low | 185 Ų | 185 | 155.5 Ų | 155.5 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | -68.2 | 140.4 | 162.5 | -68.8 | -80.3 | 0 | 0 | 0 | 110.5 | K105 V109 | K105-F107 PolarHBondContact O-N 2.8Å; F107-V109 PolarHBondContact O-N 3.31Å |
| 108 | P | 45.1 | Very low | 44.9 | Very low | 104 Ų | 104 | 154.7 Ų | 154.7 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | | | trans | -65.2 | 120.1 | 174.5 | -21.4 | 33.6 | 0 | 0 | 0 | 111.6 | F110 | P108-F110 PolarHBondContact O-N 2.88Å; P108-F110 VanDerWaalsContact O-N 3.08Å |
| 109 | V | 43.4 | Very low | 44.8 | Very low | 131 Ų | 131 | 155.8 Ų | 155.8 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -75.2 | 100.6 | 175.3 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | F107 K111 | F107-V109 PolarHBondContact O-N 3.31Å; V109-K111 PolarHBondContact O-N 3.02Å |
| 110 | F | 46.5 | Very low | 43.8 | Very low | 188 Ų | 188 | 156.8 Ų | 156.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -61.9 | 105 | 172.4 | -75.4 | -87 | 0 | 0 | 0 | 110.6 | P108 K112 | P108-F110 PolarHBondContact O-N 2.88Å; P108-F110 VanDerWaalsContact O-N 3.08Å; F110-K112 PolarHBondContact O-N 3.48Å; F110-K112 VanDerWaalsContact O-N 3.12Å |
| 111 | K | 51.2 | Low | 43.4 | Very low | 193 Ų | 193 | 160.3 Ų | 160.3 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -70.1 | 107.9 | 175.4 | -69.8 | -163 | 175.2 | -170.8 | 0 | 110.1 | V109 K113 | V109-K111 PolarHBondContact O-N 3.02Å; K111-K113 PolarHBondContact O-N 3.3Å; K111-K113 VanDerWaalsContact O-N 3.08Å |
| 112 | K | 50.9 | Low | 42.9 | Very low | 207 Ų | 207 | 160.5 Ų | 160.5 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | | | trans | -54.8 | 112.3 | 169.8 | -68.5 | -174.7 | 176.9 | -176.9 | 0 | 109.5 | F110 K114 | F110-K112 PolarHBondContact O-N 3.48Å; F110-K112 VanDerWaalsContact O-N 3.12Å; K112-K114 PolarHBondContact O-N 3.05Å |
| 113 | K | 42.9 | Very low | 42.3 | Very low | 197 Ų | 197 | 163.6 Ų | 163.6 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 124.7 | 168.3 | -66.9 | 179.5 | 179.8 | 177 | 0 | 107.8 | K111 L115 | K111-K113 PolarHBondContact O-N 3.3Å; K111-K113 VanDerWaalsContact O-N 3.08Å; K113-L115 PolarHBondContact O-N 3.04Å |
| 114 | K | 48.4 | Very low | 41.3 | Very low | 204 Ų | 204 | 166.5 Ų | 166.5 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 123.4 | 165.7 | -82.1 | -169.3 | 172.4 | -172.7 | 0 | 108.2 | K112 | K112-K114 PolarHBondContact O-N 3.05Š|
| 115 | L | 43.2 | Very low | 40.3 | Very low | 164 Ų | 164 | 161.6 Ų | 161.6 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 118.2 | 163.5 | -73.6 | 169.5 | 0 | 0 | 0 | 108.2 | K113 V117 | K113-L115 PolarHBondContact O-N 3.04Å; L115-V117 PolarHBondContact O-N 3.48Å |
| 116 | T | 37.3 | Very low | 39.4 | Very low | 129 Ų | 129 | 159.5 Ų | 159.5 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | trans | -80.3 | 109.6 | 167.1 | 44 | 0 | 0 | 0 | 0 | 108.8 | | |
| 117 | V | 35 | Very low | 38.7 | Very low | 142 Ų | 142 | 157 Ų | 157 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 125.3 | 168.1 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | L115 | L115-V117 PolarHBondContact O-N 3.48Š|
| 118 | S | 33.4 | Very low | 38.8 | Very low | 108 Ų | 108 | 153.2 Ų | 153.2 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 159.5 | -179 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 119 | K | 42.8 | Very low | 38.1 | Very low | 216 Ų | 216 | 153 Ų | 153 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 130.4 | -169.5 | -62.1 | 178.1 | 177.5 | -178.2 | 0 | 114.7 | | |
| 120 | S | 30.8 | Very low | 37.6 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -163.6 | 157.2 | 139.3 | 64.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 121 | L | 31.3 | Very low | 36.8 | Very low | 153 Ų | 153 | 150 Ų | 150 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | | | cis | -151.6 | 149 | 8.2 | -177.2 | 56.5 | 0 | 0 | 0 | 109.1 | | |
| 122 | T | 33.1 | Very low | 35.9 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | | | trans | 39.5 | 102.2 | 158.5 | -51.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 123 | E | 33.9 | Very low | 35.1 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | | 26.5 | 128.1 | 117.7 | -176.5 | 171.7 | -141.2 | 0 | 0 | 120.4 | | |
| 124 | M | 27.2 | Very low | 34.3 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | | | | -167.4 | 161 | 126.2 | -100 | -50 | -79.2 | 0 | 0 | 112 | | |
| 125 | T | 29.6 | Very low | 33.3 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | | | trans | -99.6 | 156.3 | -167.9 | -49.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 126 | T | 30.9 | Very low | 32.6 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | trans | 149.4 | 153.8 | 131.7 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 127 | E | 31.6 | Very low | 32.2 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -80.8 | 175.1 | -175.3 | -109.3 | -144.4 | 123.9 | 0 | 0 | 115.3 | | |
| 128 | P | 46.8 | Very low | 32 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | | | trans | -88.4 | 172.1 | -170.1 | 37.3 | -37.2 | 0 | 0 | 0 | 114.9 | | |
| 129 | A | 30.4 | Very low | 32.1 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | trans | -127.4 | 141.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 130 | N | 32.8 | Very low | 31.5 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | -108.8 | 156.2 | -178.8 | -69.8 | -71.2 | 0 | 0 | 0 | 112.3 | | |
| 131 | S | 29.8 | Very low | 31.4 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -151 | 132.3 | 156.2 | 46.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 132 | I | 32.4 | Very low | 31.4 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | | | cis | 72.8 | 118.3 | 20.6 | -49.1 | 179.2 | 0 | 0 | 0 | 111.3 | | |
| 133 | Q | 32.4 | Very low | 31.5 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | cis | -145.6 | -166.8 | 0.2 | -114.1 | 164.3 | 22.1 | 0 | 0 | 107.6 | | |
| 134 | V | 26.4 | Very low | 31.5 | Very low | 124 Ų | 124 | 136 Ų | 136 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | | | cis | -165 | 116.2 | 45.4 | 172.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 135 | N | 28.4 | Very low | 32 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | | 54.1 | 120.4 | 100.6 | -168.5 | 35.4 | 0 | 0 | 0 | 118.3 | | |
| 136 | G | 27 | Very low | 32.2 | Very low | 70 Ų | 70 | 134.9 Ų | 134.9 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | -168.1 | 138.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 137 | N | 30 | Very low | 32.3 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | trans | -145.9 | 164.9 | -163.5 | -118.8 | -55.2 | 0 | 0 | 0 | 112.9 | | |
| 138 | L | 31.7 | Very low | 32.6 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 88% | 0.88 | 75% | 0.749 | S | S | * | * | | | trans | 75.5 | 141.5 | -179.2 | -50.7 | 178.3 | 0 | 0 | 0 | 114.8 | | |
| 139 | S | 33.8 | Very low | 31.7 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | cis | -160.6 | 142.2 | -3.4 | 49 | 0 | 0 | 0 | 0 | 114.3 | | |
| 140 | E | 31.2 | Very low | 32 | Very low | 145 Ų | 145 | 140 Ų | 140 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | 54.9 | 136.7 | 141 | -73.8 | -160.7 | 124 | 0 | 0 | 125.2 | | |
| 141 | R | 28.8 | Very low | 32.1 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 67% | 0.672 | 76% | 0.764 | S | S | * | * | | | trans | 79.6 | 95.7 | 152.5 | -67 | -174.9 | -162.1 | 76.6 | 15.9 | 122 | | |
| 142 | D | 31.4 | Very low | 32.1 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | | 80.8 | 144.5 | 111.5 | -66.3 | -35.7 | 0 | 0 | 0 | 124.7 | | |
| 143 | I | 35.8 | Very low | 32.2 | Very low | 151 Ų | 151 | 148 Ų | 148 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | | | trans | 85.1 | 123.5 | 154.8 | -72.1 | 154.2 | 0 | 0 | 0 | 119.9 | | |
| 144 | L | 33.7 | Very low | 32.2 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | trans | 21.9 | 134.6 | 162.1 | -78.1 | 77 | 0 | 0 | 0 | 120.2 | | |
| 145 | L | 36.8 | Very low | 32.7 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | cis | 71.1 | 77.8 | 29.6 | -144 | -176.8 | 0 | 0 | 0 | 114.7 | | |
| 146 | S | 34.3 | Very low | 32.8 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | -174.2 | 152 | 159.5 | -93.8 | 0 | 0 | 0 | 0 | 108 | | |
| 147 | D | 31.9 | Very low | 33.1 | Very low | 140 Ų | 140 | 152.4 Ų | 152.4 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | cis | -158.5 | 161.1 | -17.1 | -119.5 | -50.8 | 0 | 0 | 0 | 110.7 | | |
| 148 | I | 37.8 | Very low | 33.5 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | trans | -99.8 | 105.3 | 175.2 | -61 | 176.7 | 0 | 0 | 0 | 109.6 | Y150 | I148-Y150 HydrophobicContact CG2-CD2 4.29Å; I148-Y150 HydrophobicContact CG2-CE2 4.17Å; I148-Y150 PolarHBondContact O-N 3.35Å |
| 149 | S | 28.5 | Very low | 33.4 | Very low | 119 Ų | 119 | 151.1 Ų | 151.1 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -78.6 | 108.5 | -176.6 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 150 | Y | 36.1 | Very low | 33.2 | Very low | 217 Ų | 217 | 149.8 Ų | 149.8 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 158 | 163.3 | -91.4 | -89.8 | 0 | 0 | 0 | 112 | I148 | I148-Y150 HydrophobicContact CG2-CD2 4.29Å; I148-Y150 HydrophobicContact CG2-CE2 4.17Å; I148-Y150 PolarHBondContact O-N 3.35Å |
| 151 | L | 35.9 | Very low | 33.1 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 139.3 | -166.5 | -76.6 | 166.6 | 0 | 0 | 0 | 114.3 | | |
| 152 | R | 29.2 | Very low | 33.2 | Very low | 221 Ų | 221 | 149 Ų | 149 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 126.7 | 175 | 177.7 | -173.2 | -63.5 | 174.3 | -1.2 | 110.4 | T154 | R152-T154 HydrophobicContact CG-CG2 4.29Š|
| 153 | I | 35.5 | Very low | 33.3 | Very low | 165 Ų | 165 | 152 Ų | 152 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 130.9 | 158.4 | -62.2 | 179.4 | 0 | 0 | 0 | 107.5 | | |
| 154 | T | 31.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 127.4 | -173.1 | 47.4 | 0 | 0 | 0 | 0 | 111.9 | R152 | R152-T154 HydrophobicContact CG-CG2 4.29Š|
| 155 | N | 36.9 | Very low | 32.9 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | | | trans | -110.7 | 130.8 | 152.6 | -79.3 | -32.9 | 0 | 0 | 0 | 107.8 | | |
| 156 | H | 30.5 | Very low | 32.7 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | -83.8 | 136.6 | -177.1 | -162 | -93.5 | 0 | 0 | 0 | 109.9 | E158 | H156-E158 IonicContact CE1-OE1 3.5Å; H156-E158 PolarHBondContact CE1-OE1 3.17Å |
| 157 | L | 34.1 | Very low | 32.5 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -117.4 | 126.7 | 169.4 | -177.4 | 67.6 | 0 | 0 | 0 | 107.4 | | |
| 158 | E | 38.5 | Very low | 32.3 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | | | trans | -85.4 | 157.5 | 170.9 | -90.8 | -62.8 | 162.6 | 0 | 0 | 112.1 | H156 | H156-E158 IonicContact CE1-OE1 3.5Å; H156-E158 PolarHBondContact CE1-OE1 3.17Å |
| 159 | D | 28.9 | Very low | 32 | Very low | 135 Ų | 135 | 153.6 Ų | 153.6 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | -67.2 | 165.1 | -165.7 | -167.4 | 12.5 | 0 | 0 | 0 | 115.1 | | |
| 160 | G | 29.4 | Very low | 32 | Very low | 73 Ų | 73 | 154.1 Ų | 154.1 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | 165.5 | 74.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 161 | F | 29.4 | Very low | 31.7 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | | | trans | -65.8 | 144.3 | 175.6 | -87.5 | -109 | 0 | 0 | 0 | 115.5 | | |
| 162 | S | 31.8 | Very low | 31.4 | Very low | 122 Ų | 122 | 151.6 Ų | 151.6 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -169.8 | 171.6 | 134.6 | 33.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 163 | K | 31.6 | Very low | 31.6 | Very low | 199 Ų | 199 | 149.8 Ų | 149.8 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | | | trans | -131.7 | 176 | -165.5 | -88.5 | -167.4 | 175.7 | -171.2 | 0 | 113.3 | | |
| 164 | S | 31.8 | Very low | 31.7 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | 76.5 | 129.8 | 175.2 | 63.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 165 | E | 30.5 | Very low | 31.7 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | cis | 92.1 | 146.4 | 25.1 | -165.4 | 175.4 | -170.5 | 0 | 0 | 114.6 | | |
| 166 | V | 32.5 | Very low | 31.4 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | 99.3 | 134.4 | 178.5 | -173.9 | 0 | 0 | 0 | 0 | 116 | | |
| 167 | D | 29.1 | Very low | 31.3 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | -70.4 | 160.5 | -175.1 | -54.2 | -94.8 | 0 | 0 | 0 | 115.4 | | |
| 168 | S | 28.9 | Very low | 31.1 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | | -173.9 | 119 | 115.5 | -100.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 169 | Q | 30.9 | Very low | 30.8 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | -25.9 | 167.5 | 158.3 | -121.2 | 170.2 | -6.7 | 0 | 0 | 121.3 | | |
| 170 | L | 29.4 | Very low | 30.8 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | | | trans | 88.1 | 94.9 | 151.4 | -72.1 | 153.6 | 0 | 0 | 0 | 121.5 | | |
| 171 | H | 29.6 | Very low | 30.8 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | | 77.5 | 141.3 | 115.6 | -90.8 | -134.4 | 0 | 0 | 0 | 124 | | |
| 172 | Q | 30.1 | Very low | 30.8 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | 83.5 | 137.5 | 146.9 | -74.6 | 175.2 | 100.6 | 0 | 0 | 121.6 | | |
| 173 | K | 32.4 | Very low | 31.7 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -114.3 | 141.6 | 174.2 | 175.9 | -172.4 | -178.8 | 179.3 | 0 | 107.7 | | |
| 174 | P | 38.4 | Very low | 31.8 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | | -131 | -179.1 | 125.7 | 12.8 | 8.6 | 0 | 0 | 0 | 111.5 | | |
| 175 | A | 32.1 | Very low | 31.9 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | | | trans | -150 | 139.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 176 | T | 29.7 | Very low | 32.1 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | | | trans | -171.5 | 124.8 | 150.7 | 31.5 | 0 | 0 | 0 | 0 | 114 | | |
| 177 | K | 28.7 | Very low | 32.1 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 81% | 0.809 | 77% | 0.766 | S | S | * | * | | | trans | 60.9 | 150.8 | 132.4 | -60 | -178.6 | 176.5 | -176.5 | 0 | 123.1 | | |
| 178 | S | 28.6 | Very low | 32.4 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | 68.7 | 151.9 | 150 | 43.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 179 | Q | 33.6 | Very low | 32.5 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | cis | -174.6 | 169.5 | -29.5 | -152.3 | 177.8 | -14.7 | 0 | 0 | 109.3 | | |
| 180 | C | 27.4 | Very low | 32.7 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 64% | 0.635 | 75% | 0.747 | S | S | * | * | | | trans | 70.1 | 154.9 | 157.8 | -62.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 181 | N | 30.6 | Very low | 32.9 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | | | cis | -147.6 | 169.2 | 19.4 | -85.4 | -59.6 | 0 | 0 | 0 | 113.2 | | |
| 182 | G | 29.4 | Very low | 33.1 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | -102.1 | -143.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 183 | P | 51.3 | Low | 33.3 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | cis | -137.3 | -164.4 | -6.5 | 43.9 | -25.7 | 0 | 0 | 0 | 113.8 | | |
| 184 | I | 33 | Very low | 34.1 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | | | trans | 153.3 | 155.8 | 153.5 | -83.8 | 155.7 | 0 | 0 | 0 | 109.2 | | |
| 185 | H | 33 | Very low | 33.6 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | | | | -169.5 | 146 | -57 | -171.9 | -102.9 | 0 | 0 | 0 | 109 | | |
| 186 | L | 34.9 | Very low | 33.7 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | 66.1 | 145.4 | 174.7 | -103.3 | 29.4 | 0 | 0 | 0 | 116.9 | | |
| 187 | D | 33 | Very low | 33.8 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | cis | -161.6 | 177.7 | -9.8 | -142.4 | -9.1 | 0 | 0 | 0 | 113.7 | | |
| 188 | S | 34.6 | Very low | 33.9 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | trans | 79.7 | 102.6 | 158.3 | -163.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 189 | D | 33.1 | Very low | 34.3 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | | 58.2 | 145.9 | 126.3 | -39.4 | -43.3 | 0 | 0 | 0 | 121.6 | | |
| 190 | D | 34.9 | Very low | 34.2 | Very low | 133 Ų | 133 | 130 Ų | 130 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | cis | -145.5 | 175.3 | 9.6 | -155.1 | 9 | 0 | 0 | 0 | 113.1 | | |
| 191 | F | 33.4 | Very low | 34.8 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | | | trans | -62.7 | 164.8 | -174.4 | -51.5 | -82.8 | 0 | 0 | 0 | 114.6 | | |
| 192 | S | 34.1 | Very low | 34.9 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | cis | -160.7 | 176.9 | 30.4 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 193 | V | 32.3 | Very low | 35.3 | Very low | 137 Ų | 137 | 136 Ų | 136 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | | | trans | -143.5 | 160.1 | -167.4 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 194 | P | 51.1 | Low | 35 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | -124.5 | -177 | -36.3 | 39.1 | -24.6 | 0 | 0 | 0 | 112.5 | | |
| 195 | E | 27.7 | Very low | 35 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | trans | -172.5 | 169.3 | 130 | -98.4 | -153.2 | 127 | 0 | 0 | 110.1 | | |
| 196 | K | 32.7 | Very low | 35.2 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 70% | 0.7 | 77% | 0.773 | S | S | * | * | | | cis | 170.4 | 121.2 | -46.9 | 174.8 | -157.7 | 176.5 | -172.5 | 0 | 107.4 | | |
| 197 | T | 31.8 | Very low | 35.3 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | 64.8 | 158.1 | -177.3 | 3.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 198 | T | 31.8 | Very low | 35.4 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | cis | -143.9 | 163.7 | 13.1 | -44.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 199 | A | 36.2 | Very low | 35.4 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | | | trans | -75.2 | 146.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 200 | S | 31.6 | Very low | 35.3 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -151.4 | 140.8 | 154 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 201 | T | 41.1 | Very low | 35.1 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -95.5 | 121.7 | -179.7 | -45.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 202 | Q | 32.1 | Very low | 35.4 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -133.5 | 137.5 | 175.6 | -165.7 | 161.6 | 1.7 | 0 | 0 | 112.6 | | |
| 203 | V | 37.3 | Very low | 35.9 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -85.3 | 133.3 | -179.8 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 204 | P | 44.3 | Very low | 35.8 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -78.6 | 125.8 | 164.7 | -12.4 | 29.3 | 0 | 0 | 0 | 110.8 | | |
| 205 | E | 34.8 | Very low | 34.8 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | -112.7 | 159.3 | 172 | -160.4 | 164.5 | -150.9 | 0 | 0 | 110.3 | | |
| 206 | Y | 37.4 | Very low | 35 | Very low | 206 Ų | 206 | 142 Ų | 142 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | | | trans | -38 | 141.1 | -175.7 | -78 | -106.3 | 0 | 0 | 0 | 117.8 | | |
| 207 | I | 36.7 | Very low | 35.2 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | | | trans | -140.6 | 157.3 | 133 | -71.8 | -160.3 | 0 | 0 | 0 | 110.3 | | |
| 208 | H | 33.8 | Very low | 36.1 | Very low | 151 Ų | 151 | 138 Ų | 138 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | trans | -79.6 | 155.1 | -163.1 | -80.4 | -123 | 0 | 0 | 0 | 118.9 | | |
| 209 | L | 34.5 | Very low | 36.2 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | | | trans | 17.4 | 138 | 140.2 | -75.3 | 61.4 | 0 | 0 | 0 | 121.2 | | |
| 210 | S | 31.4 | Very low | 35.8 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | | | trans | -149.9 | 144.2 | 134.8 | -76 | 0 | 0 | 0 | 0 | 109.8 | | |
| 211 | S | 31.5 | Very low | 35.8 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 152 | -174.9 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 212 | P | 40.2 | Very low | 35.4 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 157.4 | -177.3 | 33.4 | -36.4 | 0 | 0 | 0 | 113.2 | | |
| 213 | P | 42.7 | Very low | 35.3 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 142.5 | 174.7 | 35.3 | -32.8 | 0 | 0 | 0 | 113.3 | | |
| 214 | D | 30.2 | Very low | 35.1 | Very low | 171 Ų | 171 | 142 Ų | 142 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 140.1 | 166.6 | -77.3 | -54.5 | 0 | 0 | 0 | 111.5 | | |
| 215 | S | 30.9 | Very low | 34.4 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -166.5 | 135.7 | 166 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 216 | N | 31.5 | Very low | 34.3 | Very low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | | | trans | 149.3 | 143.4 | 165.1 | -85.3 | -44.4 | 0 | 0 | 0 | 108.2 | | |
| 217 | A | 36.5 | Very low | 33.8 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | cis | -144.6 | -145.1 | 3.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 218 | P | 52.5 | Low | 33.5 | Very low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | cis | -138.8 | -168.7 | 0.8 | 44 | -24 | 0 | 0 | 0 | 116.5 | | |
| 219 | M | 32.2 | Very low | 33.3 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | | | trans | 75.2 | 116.3 | 163.3 | -67 | -63.1 | -166.8 | 0 | 0 | 119.8 | | |
| 220 | D | 29.3 | Very low | 33.1 | Very low | 169 Ų | 169 | 130 Ų | 130 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | | -156.5 | 174 | 97.9 | -125.3 | -28.8 | 0 | 0 | 0 | 110.8 | | |
| 221 | A | 31.4 | Very low | 32.9 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | -140.9 | 154.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 222 | L | 32.9 | Very low | 33 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | trans | -160.2 | 115 | 159.8 | -147.2 | 61.9 | 0 | 0 | 0 | 107.3 | | |
| 223 | D | 28.9 | Very low | 32.5 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | | 68.6 | 146 | 89.6 | -131.5 | 16.5 | 0 | 0 | 0 | 113.7 | | |
| 224 | M | 32.6 | Very low | 32 | Very low | 142 Ų | 142 | 130.6 Ų | 130.6 | 70% | 0.7 | 75% | 0.754 | S | S | * | * | | | cis | -154.4 | 159.1 | 13.8 | -161.1 | -179.6 | 81.3 | 0 | 0 | 110.7 | | |
| 225 | T | 30 | Very low | 32.1 | Very low | 97 Ų | 97 | 128 Ų | 128 | 60% | 0.595 | 75% | 0.75 | S | S | * | * | | | trans | 15.7 | 131.1 | 158.1 | 58.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 226 | T | 33.8 | Very low | 32 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | | 168.8 | 169.2 | 86.8 | 47.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 227 | D | 26.7 | Very low | 31.9 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | cis | -174.2 | 175.7 | -17.2 | -102.7 | 32 | 0 | 0 | 0 | 106.6 | | |
| 228 | L | 29.1 | Very low | 31.7 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | cis | -175.5 | 127.4 | -32.1 | 177.6 | 84.9 | 0 | 0 | 0 | 108.3 | | |
| 229 | S | 30.4 | Very low | 30.7 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | 63.8 | 167.7 | 170.7 | 84.6 | 0 | 0 | 0 | 0 | 116 | | |
| 230 | N | 29.3 | Very low | 30.7 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | cis | -146.8 | 175.9 | 12.7 | -130.3 | -80 | 0 | 0 | 0 | 107 | | |
| 231 | S | 27.5 | Very low | 30.9 | Very low | 91 Ų | 91 | 125.3 Ų | 125.3 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | cis | -149.4 | -125.7 | 8.6 | -160.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 232 | L | 33.3 | Very low | 31 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | | | trans | -144.1 | 177.5 | -164.2 | -75 | 167.7 | 0 | 0 | 0 | 114.5 | | |
| 233 | H | 31.2 | Very low | 31.1 | Very low | 166 Ų | 166 | 126.5 Ų | 126.5 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | | | trans | 97 | 147.2 | 158.7 | -49.6 | -61.4 | 0 | 0 | 0 | 118.9 | | |
| 234 | S | 30.8 | Very low | 31.4 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | | | cis | 169.5 | 131.7 | -44.3 | -94.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 235 | S | 32.8 | Very low | 31.4 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | trans | 65.1 | 163.7 | 163.1 | -82.5 | 0 | 0 | 0 | 0 | 119 | | |
| 236 | T | 28.3 | Very low | 31.4 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | | | cis | -170.8 | 147 | -27 | -90.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 237 | G | 29.9 | Very low | 31.3 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | | | trans | 108.1 | 152.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 238 | V | 33 | Very low | 31.4 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | | | cis | -138.2 | 155.4 | 8.3 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 239 | N | 31 | Very low | 31.3 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | trans | -60.6 | 162.7 | 176.3 | -48.7 | -67.9 | 0 | 0 | 0 | 112.2 | | |
| 240 | Q | 33.2 | Very low | 31.7 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | cis | -157.9 | 170.3 | 41.8 | -90.6 | -173.6 | -64.2 | 0 | 0 | 109.5 | | |
| 241 | S | 33.1 | Very low | 31.9 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | | | cis | -171 | -177.8 | -10.2 | 48.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 242 | N | 32.6 | Very low | 32.2 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | | | trans | 34.7 | 123.1 | 148.1 | -77.7 | 53.4 | 0 | 0 | 0 | 120.3 | | |
| 243 | E | 35.5 | Very low | 32.1 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | | | cis | -148.3 | 149 | 9.8 | -60.4 | -157.6 | 157.4 | 0 | 0 | 114 | | |
| 244 | N | 36.2 | Very low | 31.9 | Very low | 142 Ų | 142 | 128 Ų | 128 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | | 35.2 | 136.2 | 128.8 | -50.6 | -27.7 | 0 | 0 | 0 | 120.1 | | |
| 245 | S | 32.3 | Very low | 31.9 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | cis | -157.8 | 125.1 | 6.5 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 246 | T | 29.7 | Very low | 32.5 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | | | | 45.3 | 117.2 | 128 | -30.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 247 | L | 32.3 | Very low | 32.5 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 93% | 0.927 | 75% | 0.754 | S | S | * | * | | | trans | -138.2 | 109.2 | 154.3 | -156.4 | 173.8 | 0 | 0 | 0 | 108.2 | | |
| 248 | S | 27 | Very low | 32.4 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | trans | -176.9 | 154.3 | -171.2 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 249 | S | 28.9 | Very low | 32.1 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | cis | -164.2 | 173.8 | -24.3 | -83.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 250 | N | 37.4 | Very low | 31.9 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | | | trans | -81.9 | 146.7 | 176.4 | -53.3 | -61.1 | 0 | 0 | 0 | 113.4 | | |
| 251 | S | 34.5 | Very low | 31.6 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | -165.7 | 156.5 | 156.4 | -134.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 252 | E | 32.9 | Very low | 31.4 | Very low | 133 Ų | 133 | 130 Ų | 130 | 62% | 0.621 | 75% | 0.75 | S | S | * | * | | | cis | -164.5 | 157.1 | 6.3 | -150.5 | 165.4 | 118.5 | 0 | 0 | 111.9 | | |
| 253 | K | 32.5 | Very low | 31.1 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | | | trans | 61.7 | 156.7 | 158 | -83.1 | 155.3 | -177.1 | 155.6 | 0 | 118.7 | | |
| 254 | S | 26.6 | Very low | 30.7 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | cis | -157.1 | 154.9 | -6.4 | 38.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 255 | H | 29.8 | Very low | 30.4 | Very low | 186 Ų | 186 | 130.9 Ų | 130.9 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | trans | -83.8 | -176.7 | 169.9 | -76.1 | -64.6 | 0 | 0 | 0 | 111.9 | | |
| 256 | P | 46.6 | Very low | 30.1 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | | | cis | -142.7 | 172.2 | 11.3 | 40.9 | -20 | 0 | 0 | 0 | 120.1 | | |
| 257 | C | 26.8 | Very low | 29.9 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | | | trans | 49.9 | 130.1 | 143.6 | -66.9 | 0 | 0 | 0 | 0 | 124.6 | | |
| 258 | L | 28.6 | Very low | 30 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | | | | -172.4 | 143.9 | 118.4 | -92.4 | 169 | 0 | 0 | 0 | 106.6 | | |
| 259 | S | 27.1 | Very low | 31.1 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 55% | 0.552 | 76% | 0.758 | S | S | * | * | | | cis | 150.6 | 117.9 | -26.1 | -86.4 | 0 | 0 | 0 | 0 | 107 | | |
| 260 | N | 25.4 | Very low | 31 | Very low | 159 Ų | 159 | 136 Ų | 136 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | 63.8 | 165 | 164.3 | -57.5 | 2.4 | 0 | 0 | 0 | 115.8 | | |
| 261 | S | 28.7 | Very low | 30.7 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | cis | -164.6 | -171.7 | -29.7 | 56.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 262 | S | 28.3 | Very low | 30.3 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | | | cis | -163.1 | 157.9 | 5.2 | -147.4 | 0 | 0 | 0 | 0 | 112 | | |
| 263 | Y | 26.8 | Very low | 30.1 | Very low | 223 Ų | 223 | 134 Ų | 134 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | | | trans | 65.6 | 168.1 | 149.2 | -106.1 | -105.9 | 0 | 0 | 0 | 122.7 | | |
| 264 | C | 27.3 | Very low | 29.9 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | trans | -128 | 177 | -168.4 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 265 | S | 29 | Very low | 30.1 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | trans | 101.5 | 130.6 | 142.9 | -61.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 266 | E | 26.8 | Very low | 30 | Very low | 173 Ų | 173 | 128.8 Ų | 128.8 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | trans | 92.7 | 130.4 | 134.9 | -81.1 | 175.6 | 124.6 | 0 | 0 | 124.7 | | |
| 267 | C | 25.4 | Very low | 29.2 | Very low | 114 Ų | 114 | 130 Ų | 130 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | 79.4 | 121.2 | 143.5 | -67.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 268 | N | 32.8 | Very low | 29.3 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | trans | -70.4 | -175.9 | 151.4 | -72.6 | -44.7 | 0 | 0 | 0 | 110.8 | | |
| 269 | P | 50.6 | Low | 29.1 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | | | cis | -138 | -178.6 | 3.4 | 31.5 | -7.6 | 0 | 0 | 0 | 117.2 | | |
| 270 | H | 27.4 | Very low | 29.4 | Very low | 175 Ų | 175 | 133 Ų | 133 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | trans | 66 | 162.7 | 166.6 | -61.4 | -73.2 | 0 | 0 | 0 | 116.9 | | |
| 271 | S | 31 | Very low | 30.1 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | | | cis | -149 | 152.8 | 10.8 | -35.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 272 | D | 26.5 | Very low | 30.3 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | trans | 49.6 | 164.7 | 137.5 | -54.9 | -26.3 | 0 | 0 | 0 | 126.2 | | |
| 273 | S | 27.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | 91.3 | 102.9 | 167.4 | -129.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 274 | C | 28.1 | Very low | 31.6 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | | 85.9 | 145 | 84.4 | -73.5 | 0 | 0 | 0 | 0 | 113 | | |
| 275 | E | 30.7 | Very low | 31.9 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | | | cis | -159.9 | 178.4 | 8 | -116.1 | -81.9 | -175.1 | 0 | 0 | 110.3 | | |
| 276 | A | 28.5 | Very low | 31.9 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | trans | 71.2 | 140.2 | 163 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 277 | D | 28.5 | Very low | 32.2 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | cis | -163.5 | 163.6 | -25.6 | -151.2 | -18.8 | 0 | 0 | 0 | 110.5 | | |
| 278 | S | 29.6 | Very low | 32.4 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | trans | 19.3 | 149.1 | 147.8 | -65.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 279 | E | 25.2 | Very low | 32.6 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | | | cis | -161.8 | 174.8 | 7.1 | -128.5 | 178.9 | 163.8 | 0 | 0 | 111.6 | | |
| 280 | L | 33 | Very low | 32 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -104.1 | 159.3 | 167.3 | -85.7 | 171.2 | 0 | 0 | 0 | 111.3 | | |
| 281 | P | 39.3 | Very low | 32.2 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | | -140.3 | 165.9 | 126.3 | 36.4 | -23.7 | 0 | 0 | 0 | 116.7 | | |
| 282 | V | 33.8 | Very low | 32.3 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | | | trans | -139.2 | 165.2 | -179.1 | 163.1 | 0 | 0 | 0 | 0 | 105.4 | | |
| 283 | P | 52.9 | Low | 32.5 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | | | cis | -122.8 | -166.4 | -8.3 | 38.1 | -20.8 | 0 | 0 | 0 | 113.2 | | |
| 284 | N | 28.8 | Very low | 33.8 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | | | | -166 | 177.4 | 116.9 | -106.4 | -50.4 | 0 | 0 | 0 | 114.8 | | |
| 285 | K | 33.3 | Very low | 33.9 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | | | trans | -120.7 | -178.5 | -165.2 | -88.3 | -169.4 | 172.4 | -173.9 | 0 | 114.5 | | |
| 286 | D | 29.7 | Very low | 33.9 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | | | trans | 82.3 | 149.1 | 152.1 | -62.7 | -29.7 | 0 | 0 | 0 | 118.3 | | |
| 287 | A | 32.8 | Very low | 33.9 | Very low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | cis | -168.4 | -170.1 | -17.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 288 | S | 30.7 | Very low | 34.9 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | 81.6 | 108.3 | 168.4 | -151.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 289 | S | 36.5 | Very low | 34.9 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | | 94.7 | 153.7 | 66.4 | 88.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 290 | K | 37.3 | Very low | 35.1 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 70% | 0.7 | 76% | 0.755 | S | S | * | * | | | cis | -162 | 165.3 | 10.6 | -148.5 | -178.9 | 178.6 | -143.9 | 0 | 111.5 | | |
| 291 | E | 32.7 | Very low | 34.9 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | | | trans | 66.6 | 142.5 | 155.2 | -88 | 155.9 | -148 | 0 | 0 | 119.4 | | |
| 292 | T | 32 | Very low | 34.6 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | cis | -138.2 | 152.5 | 5.4 | -76.3 | 0 | 0 | 0 | 0 | 112 | | |
| 293 | I | 32.2 | Very low | 34.4 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 80% | 0.795 | 76% | 0.755 | S | S | * | * | | | trans | -136.5 | 154.6 | -169.3 | -82.1 | 170.8 | 0 | 0 | 0 | 107.9 | | |
| 294 | P | 53.7 | Low | 33.3 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | cis | -114 | -159.4 | 19.8 | 22.3 | 3.4 | 0 | 0 | 0 | 112.5 | | |
| 295 | L | 31.4 | Very low | 34.1 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | cis | -152.8 | 164.5 | 29.9 | -81.4 | 167 | 0 | 0 | 0 | 109.6 | | |
| 296 | S | 29.9 | Very low | 33.9 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | | | cis | -156.7 | -167.2 | -6.7 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 297 | A | 29.3 | Very low | 33.8 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | -159.4 | -171.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 298 | P | 48.1 | Very low | 33.7 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | cis | -112.3 | -147.1 | -8.4 | 31.3 | -8.3 | 0 | 0 | 0 | 110.5 | | |
| 299 | S | 30.2 | Very low | 33.6 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | cis | -162.5 | 166.7 | 8.5 | 87.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 300 | N | 29.5 | Very low | 33.3 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | cis | -157.4 | -167.4 | -1.6 | -124.9 | 8.9 | 0 | 0 | 0 | 111.3 | | |
| 301 | H | 29.4 | Very low | 32.8 | Very low | 158 Ų | 158 | 138 Ų | 138 | 73% | 0.731 | 76% | 0.763 | S | S | * | * | | | trans | -77.6 | 151.1 | -174.8 | -53.4 | -74 | 0 | 0 | 0 | 114.2 | | |
| 302 | S | 31.6 | Very low | 32.7 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | | 66.2 | 138 | 62.8 | -30.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 303 | L | 30.2 | Very low | 32.8 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | | | cis | -148.8 | -171.6 | 26.5 | -78 | 170.6 | 0 | 0 | 0 | 114.4 | | |
| 304 | S | 30.2 | Very low | 33.1 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -64.6 | -175.3 | 171.6 | -129.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 305 | P | 46 | Very low | 31.7 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | cis | -141.5 | -178.2 | 9.9 | 42.8 | -22.1 | 0 | 0 | 0 | 119 | | |
| 306 | C | 28.4 | Very low | 31.6 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | trans | 17.8 | 138.3 | 152.6 | -58.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 307 | F | 28.6 | Very low | 31.7 | Very low | 220 Ų | 220 | 145 Ų | 145 | 97% | 0.965 | 76% | 0.759 | S | S | * | * | | | | -168.5 | 173.1 | 115.9 | -103.4 | -62.3 | 0 | 0 | 0 | 113 | | |
| 308 | L | 29.1 | Very low | 31.9 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | | | trans | -132.6 | 134.9 | -175.3 | 162.3 | 139.1 | 0 | 0 | 0 | 110.6 | | |
| 309 | R | 28.5 | Very low | 31.1 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | trans | -178.4 | 137.2 | 152.2 | -105 | -69.6 | -178.7 | 163.6 | 3.1 | 112 | Y311 | R309-Y311 VanDerWaalsContact NH1-CE2 3.33Å; R309-Y311 PolarHBondContact NH1-OH 3.43Å |
| 310 | D | 30.3 | Very low | 31.1 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | -74.3 | 164.2 | 161.5 | -39.3 | -98.6 | 0 | 0 | 0 | 111.6 | | |
| 311 | Y | 27.1 | Very low | 31.4 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | | | | -163.5 | 163.8 | 129 | -102.7 | -63.3 | 0 | 0 | 0 | 112 | R309 | R309-Y311 VanDerWaalsContact NH1-CE2 3.33Å; R309-Y311 PolarHBondContact NH1-OH 3.43Å |
| 312 | Q | 32 | Very low | 31.4 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | trans | -91.8 | 168.6 | -170.5 | -67.6 | 160.3 | -86.5 | 0 | 0 | 113.9 | | |
| 313 | Q | 32.3 | Very low | 31.5 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | | | trans | -8.6 | 149.1 | 151.8 | -111.2 | -178.7 | -12.4 | 0 | 0 | 118.1 | | |
| 314 | P | 38.6 | Very low | 31.7 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | | | | -155.6 | 152.7 | 83.3 | 41.1 | -22 | 0 | 0 | 0 | 119.9 | | |
| 315 | R | 23.9 | Very low | 31.6 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | | 74.2 | 106.5 | 126.2 | -166.9 | 170.1 | -163.8 | 148.7 | 24.4 | 125 | | |
| 316 | E | 29.6 | Very low | 30.8 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 59% | 0.593 | 74% | 0.741 | S | S | * | * | | | | 63.9 | 155.2 | 129.8 | -59.9 | 169.8 | 170.9 | 0 | 0 | 125.4 | | |
| 317 | H | 33 | Very low | 30.9 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | 67.6 | 146.5 | 163.7 | -68.2 | -74.2 | 0 | 0 | 0 | 119 | | |
| 318 | E | 32.4 | Very low | 31.1 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | | | cis | -173.8 | 178.2 | -19.2 | -139.8 | -175.8 | -94.6 | 0 | 0 | 108 | | |
| 319 | T | 32.6 | Very low | 31.2 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | cis | -140.9 | -144.5 | -3.5 | -31.6 | 0 | 0 | 0 | 0 | 107 | | |
| 320 | D | 30.7 | Very low | 31.5 | Very low | 133 Ų | 133 | 138 Ų | 138 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | | | cis | -158.8 | 171.1 | -2.9 | 173.8 | 50.5 | 0 | 0 | 0 | 109.5 | | |
| 321 | S | 35.1 | Very low | 31.7 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | | | trans | 74.3 | 135 | 156.7 | -93.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 322 | S | 30.1 | Very low | 31.7 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | | | cis | -159.4 | 157.5 | 19.8 | 50.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 323 | C | 32.2 | Very low | 31.6 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | | | trans | 31.8 | 114.6 | 158.9 | 61.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 324 | M | 34 | Very low | 31.3 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 80% | 0.803 | 73% | 0.726 | S | S | * | * | | | | 75.6 | 141.1 | 93.4 | -66.2 | -66.1 | 151.4 | 0 | 0 | 116.2 | L326 | M324-L326 HydrophobicContact SD-CD1 4.31Š|
| 325 | T | 28.4 | Very low | 30.7 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 80% | 0.798 | 72% | 0.72 | S | S | * | * | | | cis | -152.3 | 170.4 | 41.1 | -45.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 326 | L | 30.5 | Very low | 31 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | | | trans | -65.5 | 171.5 | -177.6 | -62.9 | 88.2 | 0 | 0 | 0 | 114.3 | M324 | M324-L326 HydrophobicContact SD-CD1 4.31Š|
| 327 | T | 30.6 | Very low | 31 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | | | | -162.3 | 147.2 | 50.5 | 53.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 328 | N | 33 | Very low | 30.9 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | | 24.5 | 147.4 | 125.5 | -68.7 | 53.4 | 0 | 0 | 0 | 121.1 | | |
| 329 | D | 31.2 | Very low | 30.8 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | | | cis | -156.8 | 162.5 | 5 | -94.8 | -27.9 | 0 | 0 | 0 | 113.6 | | |
| 330 | D | 33.3 | Very low | 31 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | trans | 41.4 | 120.1 | 150.1 | -70.7 | -10.6 | 0 | 0 | 0 | 126.5 | | |
| 331 | H | 34.3 | Very low | 30.9 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | | | | 41.4 | 108.4 | 128.4 | -66.1 | -73.1 | 0 | 0 | 0 | 124.4 | | |
| 332 | A | 28.1 | Very low | 30.7 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | | | | 87.6 | 158 | 124.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 333 | I | 29.4 | Very low | 30.8 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | trans | 79.7 | 112.2 | 163.3 | -59.9 | 177.7 | 0 | 0 | 0 | 120.2 | | |
| 334 | M | 26.1 | Very low | 30.6 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | | | trans | 38.3 | 111.5 | 141.7 | -63.5 | -178.4 | 62.4 | 0 | 0 | 123.9 | | |
| 335 | S | 26.6 | Very low | 30.6 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | | 72.7 | 137.8 | 110.1 | -54.2 | 0 | 0 | 0 | 0 | 124.1 | | |
| 336 | L | 30.4 | Very low | 30.9 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | | | trans | 71.7 | 151.2 | 157.6 | -62.6 | 159.2 | 0 | 0 | 0 | 115.9 | | |
| 337 | T | 29.5 | Very low | 30.7 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | cis | -127.8 | 173.8 | 12.8 | 47 | 0 | 0 | 0 | 0 | 109.8 | | |
| 338 | S | 31 | Very low | 30.7 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | cis | -154.7 | 174.8 | 16.1 | -143.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 339 | S | 30.4 | Very low | 30.3 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | cis | -143.7 | -134.1 | 9.1 | 66.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 340 | N | 36 | Very low | 30.2 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | -135.7 | 154.6 | -175.5 | -52.3 | -77.4 | 0 | 0 | 0 | 110 | | |
| 341 | A | 29.9 | Very low | 29.9 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | cis | -153.6 | -165.1 | 10.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 342 | S | 30.5 | Very low | 30.1 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | cis | -163.3 | 157.6 | 3.9 | 103 | 0 | 0 | 0 | 0 | 112.9 | | |
| 343 | K | 31.2 | Very low | 29.9 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | 61 | 105.3 | 149.9 | -67.1 | -176.4 | 176.6 | -178.1 | 0 | 122.6 | | |
| 344 | S | 28.5 | Very low | 30.3 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | 78 | 134.2 | 129.7 | 57.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 345 | I | 33.1 | Very low | 30.4 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -123.2 | 155.6 | 169.6 | -24.8 | 176.3 | 0 | 0 | 0 | 107.6 | | |
| 346 | P | 36.5 | Very low | 30.4 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | | -134.7 | 163.6 | 100.2 | 12.9 | 10.4 | 0 | 0 | 0 | 112 | | |
| 347 | S | 25.6 | Very low | 30.3 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | cis | 75.9 | 144.8 | 46.7 | -155 | 0 | 0 | 0 | 0 | 115.1 | | |
| 348 | C | 30.2 | Very low | 30.3 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -90.8 | 150.4 | -158.3 | -47.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 349 | H | 25.7 | Very low | 30.2 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | | | trans | -159.4 | 161.6 | 141.8 | -145 | -98.6 | 0 | 0 | 0 | 115.1 | | |
| 350 | T | 28.3 | Very low | 30.1 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 69% | 0.693 | 81% | 0.805 | S | S | * | * | | | trans | -82 | 144.6 | 169 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 351 | E | 25.8 | Very low | 29.9 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | | -174.7 | 169.4 | 129.9 | -110.7 | -174.3 | -168.7 | 0 | 0 | 115.7 | | |
| 352 | I | 39.4 | Very low | 29.8 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | trans | -110.8 | 135.3 | -175.9 | -62.6 | 161.1 | 0 | 0 | 0 | 109.6 | | |
| 353 | K | 24.8 | Very low | 30.1 | Very low | 207 Ų | 207 | 147.4 Ų | 147.4 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | | | trans | -149.5 | 148.4 | 154.2 | -143.5 | 160.2 | -174.6 | 171 | 0 | 114.6 | | |
| 354 | K | 37.3 | Very low | 29.9 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | | | trans | -95.2 | 160.5 | -178.3 | -54.3 | 174.5 | -179.4 | -179.5 | 0 | 111 | | |
| 355 | N | 26.9 | Very low | 30.2 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -176.6 | 106.1 | 145.7 | -84.3 | -23 | 0 | 0 | 0 | 105.9 | | |
| 356 | S | 26.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | | 70.5 | 98.7 | 66.7 | -171.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 357 | T | 29.6 | Very low | 30 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | | -164.4 | 123.9 | 129.9 | -71.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 358 | Q | 28 | Very low | 30.8 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -26.2 | 136.5 | 161.7 | 178.2 | -178.3 | 10.7 | 0 | 0 | 118.9 | | |
| 359 | L | 29.7 | Very low | 30.8 | Very low | 176 Ų | 176 | 151 Ų | 151 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | -152.7 | 159.9 | 136.2 | -120.1 | 164.8 | 0 | 0 | 0 | 109.3 | | |
| 360 | D | 28.1 | Very low | 31.1 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | | | trans | -137.7 | 161.9 | -158.6 | -170.8 | 17.2 | 0 | 0 | 0 | 111.2 | | |
| 361 | V | 31.9 | Very low | 31.3 | Very low | 124 Ų | 124 | 149 Ų | 149 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | 53.3 | 114.2 | 173.3 | -171.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 362 | S | 28.7 | Very low | 31.8 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | | -171.7 | 135.2 | 119.6 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 363 | D | 35.9 | Very low | 31.8 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | -59.7 | 153 | 156 | -71.1 | -76.7 | 0 | 0 | 0 | 111.3 | | |
| 364 | C | 27.3 | Very low | 32.5 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | -159.2 | 130.9 | 139.2 | -117.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 365 | N | 35.7 | Very low | 32.1 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -85.4 | 168.4 | 169 | -83.4 | -87.5 | 0 | 0 | 0 | 110.6 | | |
| 366 | N | 34.1 | Very low | 32.9 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | | | trans | 79.3 | 153.6 | 177.7 | -44.5 | -65.3 | 0 | 0 | 0 | 113.3 | | |
| 367 | C | 30.1 | Very low | 33.3 | Very low | 120 Ų | 120 | 148 Ų | 148 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | cis | -125.3 | 159.5 | 20.3 | -66.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 368 | I | 42.8 | Very low | 33.6 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -90.9 | 131.2 | 164.4 | -65.5 | 171.1 | 0 | 0 | 0 | 108.5 | | |
| 369 | E | 31 | Very low | 34.3 | Very low | 187 Ų | 187 | 147.9 Ų | 147.9 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -147.7 | 133.4 | 171.9 | -174 | 111 | -119.2 | 0 | 0 | 107.6 | | |
| 370 | G | 31.4 | Very low | 34.7 | Very low | 43 Ų | 43 | 146.3 Ų | 146.3 | 44% | 0.443 | 78% | 0.775 | S | S | . | * | | | cis | 170.4 | 85 | -6.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 371 | F | 32.8 | Very low | 35.5 | Very low | 209 Ų | 209 | 147.4 Ų | 147.4 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | | | trans | -124.7 | 102.3 | -178 | -70.5 | -66.9 | 0 | 0 | 0 | 113.1 | | |
| 372 | H | 35.9 | Very low | 36.2 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 88% | 0.884 | 78% | 0.776 | S | S | * | * | | | trans | -78.6 | 118.8 | 173.7 | -65.5 | -82.5 | 0 | 0 | 0 | 111.6 | | |
| 373 | I | 38.6 | Very low | 37 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | | | trans | -112.1 | 120 | 159.2 | -62.2 | -178 | 0 | 0 | 0 | 108.4 | S375 | I373-S375 PolarHBondContact O-N 3.37Š|
| 374 | K | 39.6 | Very low | 37.4 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 70% | 0.7 | 78% | 0.775 | S | S | * | * | | | trans | -92.7 | 91.1 | -168.7 | -166.2 | -179.1 | -171.1 | -173.8 | 0 | 111.2 | Y376 | K374-Y376 HydrophobicContact CD-CE2 3.91Å; K374-Y376 VanDerWaalsContact CE-OH 3.26Å; K374-Y376 WeakPolarHBondContact CE-OH 3.1Å; K374-Y376 HydrophobicContact CG-CD2 4.4Å; K374-Y376 HydrophobicContact CG-CE2 3.97Å; K374-Y376 PolarHBondContact NZ-OH 2.83Å |
| 375 | S | 30.1 | Very low | 38.2 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -91.9 | 122.9 | 173.7 | 46.7 | 0 | 0 | 0 | 0 | 111.8 | I373 | I373-S375 PolarHBondContact O-N 3.37Š|
| 376 | Y | 42.2 | Very low | 38.7 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | -99.8 | 116.1 | 169.7 | -76.9 | -98.2 | 0 | 0 | 0 | 109.6 | K374 | K374-Y376 HydrophobicContact CD-CE2 3.91Å; K374-Y376 VanDerWaalsContact CE-OH 3.26Å; K374-Y376 WeakPolarHBondContact CE-OH 3.1Å; K374-Y376 HydrophobicContact CG-CD2 4.4Å; K374-Y376 HydrophobicContact CG-CE2 3.97Å; K374-Y376 PolarHBondContact NZ-OH 2.83Å |
| 377 | L | 34.9 | Very low | 39.4 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | | | trans | -157.6 | 161.9 | 157.6 | -98.1 | 175 | 0 | 0 | 0 | 107.7 | | |
| 378 | P | 36.9 | Very low | 40.4 | Very low | 104 Ų | 104 | 148 Ų | 148 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | | | trans | -80.6 | 150.5 | -151 | 30.2 | -36.8 | 0 | 0 | 0 | 115.9 | N380 | P378-N380 PolarHBondContact O-N 3.08Š|
| 379 | R | 43.2 | Very low | 40.6 | Very low | 203 Ų | 203 | 144.4 Ų | 144.4 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | | | trans | -61.2 | 113.2 | 170.8 | 173.3 | -170.7 | -70.3 | -123.8 | 3.3 | 111 | E381 | R379-E381 WeakPolarHBondContact CD-OE1 3.44Å; R379-E381 HydrophobicContact CG-CG 3.81Å; R379-E381 IonicContact CZ-OE1 3.47Å; R379-E381 IonicContact NE-OE1 2.6Å; R379-E381 IonicContact NH1-OE1 3.46Å; R379-E381 PolarHBondContact NH1-OE1 3.02Å |
| 380 | N | 37.1 | Very low | 41.7 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | | | trans | -114.1 | 117.2 | 154 | -77.6 | -27.9 | 0 | 0 | 0 | 107.4 | P378 I382 | P378-N380 PolarHBondContact O-N 3.08Å; N380-I382 PolarHBondContact O-N 3.12Å |
| 381 | E | 46 | Very low | 42.7 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 71% | 0.71 | 71% | 0.714 | S | S | * | * | | | trans | -82.5 | 96.5 | -177.6 | -68.2 | -178.5 | -179 | 0 | 0 | 110.8 | R379 | R379-E381 WeakPolarHBondContact CD-OE1 3.44Å; R379-E381 HydrophobicContact CG-CG 3.81Å; R379-E381 IonicContact CZ-OE1 3.47Å; R379-E381 IonicContact NE-OE1 2.6Å; R379-E381 IonicContact NH1-OE1 3.46Å; R379-E381 PolarHBondContact NH1-OE1 3.02Å |
| 382 | I | 46.8 | Very low | 43.6 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 76% | 0.764 | 70% | 0.695 | S | S | * | * | | | trans | -105.3 | 126.3 | 166.4 | -56.8 | 179.3 | 0 | 0 | 0 | 107.2 | N380 | N380-I382 PolarHBondContact O-N 3.12Š|
| 383 | K | 44.8 | Very low | 44.6 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | | | trans | -55.2 | 141.7 | -174.5 | -70 | -178.9 | 176.8 | 179.8 | 0 | 111.7 | Q385 | K383-Q385 HydrophobicContact CB-CB 4.43Å; K383-Q385 PolarHBondContact O-N 3.29Å |
| 384 | P | 43.4 | Very low | 45.1 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 21.7 | 177.7 | 32.9 | -37.4 | 0 | 0 | 0 | 114.3 | | |
| 385 | Q | 44.3 | Very low | 45.9 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 63% | 0.631 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -49.8 | -172.7 | -156.4 | 82.9 | 22 | 0 | 0 | 112.1 | K383 N387 K388 | K383-Q385 HydrophobicContact CB-CB 4.43Å; K383-Q385 PolarHBondContact O-N 3.29Å; Q385-N387 PolarHBondContact O-N 3.39Å; Q385-K388 PolarHBondContact O-N 3.07Å |
| 386 | T | 46.4 | Very low | 47.4 | Very low | 74 Ų | 74 | 138.4 Ų | 138.4 | 45% | 0.454 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -73.8 | -20.5 | -168.9 | 45.3 | 0 | 0 | 0 | 0 | 114.4 | K388 E389 I390 | T386-K388 PolarHBondContact O-N 3.41Å; T386-E389 PolarHBondContact O-N 3.3Å; T386-I390 WeakPolarHBondContact O-CB 3.48Å; T386-I390 WeakPolarHBondContact O-CD1 3.46Å; T386-I390 VanDerWaalsContact O-CG1 3.25Å; T386-I390 WeakPolarHBondContact O-CG1 3.45Å; T386-I390 PolarHBondContact O-N 3.14Å |
| 387 | N | 49.3 | Very low | 48.3 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 68% | 0.684 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.5 | -20.1 | 174.7 | -108.2 | -64.1 | 0 | 0 | 0 | 112.8 | Q385 | Q385-N387 PolarHBondContact O-N 3.39Å |
| 388 | K | 51.6 | Low | 49.8 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 65% | 0.652 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.1 | -54.3 | 172.3 | -147.8 | -173.3 | -178.2 | -155 | 0 | 110.3 | Q385 T386 I390 R391 E392 | Q385-K388 PolarHBondContact O-N 3.07Å; T386-K388 PolarHBondContact O-N 3.41Å; K388-I390 VanDerWaalsContact C-N 3.3Å; K388-I390 PolarHBondContact O-N 2.86Å; K388-R391 CarbonylContact O-C 3.55Å; K388-R391 WeakPolarHBondContact O-CA 3.41Å; K388-R391 WeakPolarHBondContact O-CB 3.45Å; K388-R391 PolarHBondContact O-N 3.11Å; K388-E392 WeakPolarHBondContact O-CB 3.25Å; K388-E392 PolarHBondContact O-N 3.18Å |
| 389 | E | 46.7 | Very low | 51.8 | Low | 94 Ų | 94 | 131.5 Ų | 131.5 | 44% | 0.439 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -54.8 | -39.7 | 178.4 | -68.4 | 173.9 | 119.4 | 0 | 0 | 113.3 | T386 R391 E392 M393 | T386-E389 PolarHBondContact O-N 3.3Å; E389-R391 VanDerWaalsContact C-N 3.31Å; E389-R391 PolarHBondContact O-N 3.03Å; E389-E392 WeakPolarHBondContact O-CB 3.44Å; E389-E392 PolarHBondContact O-N 3.01Å; E389-E392 VanDerWaalsContact O-N 3.12Å; E389-M393 HydrophobicContact CB-CE 3.98Å; E389-M393 PolarHBondContact O-N 3.2Å |
| 390 | I | 53.8 | Low | 53.4 | Low | 96 Ų | 96 | 129 Ų | 129 | 49% | 0.492 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68.7 | -30.6 | 178 | -66.9 | 165.7 | 0 | 0 | 0 | 111.6 | T386 K388 E392 N394 | T386-I390 WeakPolarHBondContact O-CB 3.48Å; T386-I390 WeakPolarHBondContact O-CD1 3.46Å; T386-I390 VanDerWaalsContact O-CG1 3.25Å; T386-I390 WeakPolarHBondContact O-CG1 3.45Å; T386-I390 PolarHBondContact O-N 3.14Å; K388-I390 VanDerWaalsContact C-N 3.3Å; K388-I390 PolarHBondContact O-N 2.86Å; I390-E392 VanDerWaalsContact C-N 3.32Å; I390-N394 PolarHBondContact O-ND2 3.03Å |
| 391 | R | 51.5 | Low | 55.5 | Low | 202 Ų | 202 | 124.8 Ų | 124.8 | 76% | 0.762 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -79.3 | -18.5 | 172.4 | -158.5 | 179.5 | -168.1 | -137.6 | 2.7 | 112.4 | K388 E389 Q395 | K388-R391 CarbonylContact O-C 3.55Å; K388-R391 WeakPolarHBondContact O-CA 3.41Å; K388-R391 WeakPolarHBondContact O-CB 3.45Å; K388-R391 PolarHBondContact O-N 3.11Å; E389-R391 VanDerWaalsContact C-N 3.31Å; E389-R391 PolarHBondContact O-N 3.03Å; R391-Q395 PolarHBondContact O-NE2 3.26Å |
| 392 | E | 53.5 | Low | 57.4 | Low | 110 Ų | 110 | 122.4 Ų | 122.4 | 51% | 0.514 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -89 | -45.7 | -177.8 | -154.1 | 151.4 | -152.2 | 0 | 0 | 110.7 | K388 E389 I390 N394 Q395 | K388-E392 WeakPolarHBondContact O-CB 3.25Å; K388-E392 PolarHBondContact O-N 3.18Å; E389-E392 WeakPolarHBondContact O-CB 3.44Å; E389-E392 PolarHBondContact O-N 3.01Å; E389-E392 VanDerWaalsContact O-N 3.12Å; I390-E392 VanDerWaalsContact C-N 3.32Å; E392-N394 PolarHBondContact O-N 3.29Å; E392-Q395 WeakPolarHBondContact O-CB 3.47Å; E392-Q395 PolarHBondContact O-N 2.87Å |
| 393 | M | 55.1 | Low | 59.3 | Low | 147 Ų | 147 | 119.3 Ų | 119.3 | 72% | 0.724 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.2 | -19.6 | 172.2 | -80.5 | -179.1 | -87.7 | 0 | 0 | 114.5 | E389 | E389-M393 HydrophobicContact CB-CE 3.98Å; E389-M393 PolarHBondContact O-N 3.2Å |
| 394 | N | 50.5 | Low | 61.2 | Low | 127 Ų | 127 | 114.4 Ų | 114.4 | 68% | 0.679 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -0.5 | 172.7 | -73.5 | -79.1 | 0 | 0 | 0 | 113.2 | I390 E392 I396 | I390-N394 PolarHBondContact O-ND2 3.03Å; E392-N394 PolarHBondContact O-N 3.29Å; N394-I396 VanDerWaalsContact C-N 3.26Å; N394-I396 PolarHBondContact O-N 3.07Å |
| 395 | Q | 55.1 | Low | 63.5 | Low | 125 Ų | 125 | 112.1 Ų | 112.1 | 58% | 0.584 | 57% | 0.574 | S | S | * | * | | | trans | -79.6 | 80.3 | 165.3 | -82.5 | 165.1 | 86.3 | 0 | 0 | 109.2 | R391 E392 H397 | R391-Q395 PolarHBondContact O-NE2 3.26Å; E392-Q395 WeakPolarHBondContact O-CB 3.47Å; E392-Q395 PolarHBondContact O-N 2.87Å; Q395-H397 PolarHBondContact O-N 2.83Å |
| 396 | I | 62.4 | Low | 65.8 | Low | 134 Ų | 134 | 109.8 Ų | 109.8 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | | | trans | -54.2 | 127 | 154.1 | -50.7 | 176.5 | 0 | 0 | 0 | 106 | N394 L398 | N394-I396 VanDerWaalsContact C-N 3.26Å; N394-I396 PolarHBondContact O-N 3.07Å; I396-L398 HydrophobicContact CB-CD1 4.24Å; I396-L398 HydrophobicContact CG2-CD1 3.59Å; I396-L398 PolarHBondContact O-N 2.81Å |
| 397 | H | 61.9 | Low | 68 | Low | 190 Ų | 190 | 112.4 Ų | 112.4 | 88% | 0.88 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -71.8 | 54.6 | -170.9 | -71.6 | -94.3 | 0 | 0 | 0 | 113.9 | Q395 | Q395-H397 PolarHBondContact O-N 2.83Š|
| 398 | L | 64.9 | Low | 70.2 | Confident | 63 Ų | 63 | 108.2 Ų | 108.2 | 33% | 0.33 | 56% | 0.56 | S | S | . | * | | | trans | -80.8 | 136.8 | 162.9 | -84 | 69.6 | 0 | 0 | 0 | 108.4 | I396 E402 L403 L406 | I396-L398 HydrophobicContact CB-CD1 4.24Å; I396-L398 HydrophobicContact CG2-CD1 3.59Å; I396-L398 PolarHBondContact O-N 2.81Å; L398-E402 WeakPolarHBondContact CA-OE2 3.36Å; L398-E402 HydrophobicContact CB-CB 4.1Å; L398-E402 HydrophobicContact CD2-CB 4.27Å; L398-E402 HydrophobicContact CG-CB 4.3Å; L398-L403 HydrophobicContact CB-CD2 3.85Å; L398-L403 HydrophobicContact CB-CG 3.8Å; L398-L403 HydrophobicContact CD2-CD2 3.92Å; L398-L403 HydrophobicContact CG-CD2 4.48Å; L398-L406 HydrophobicContact CD2-CD2 4.23Å |
| 399 | A | 78.9 | Confident | 72.3 | Confident | 59 Ų | 59 | 109.7 Ų | 109.7 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | | | trans | -61 | 151.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | G401 E402 L403 | A399-G401 PolarHBondContact O-N 3.08Å; A399-G401 VanDerWaalsContact O-N 3.11Å; A399-E402 HydrophobicContact CB-CG 4.18Å; A399-E402 PolarHBondContact N-OE2 3.38Å; A399-E402 WeakPolarHBondContact O-CA 3.31Å; A399-E402 WeakPolarHBondContact O-CB 3.35Å; A399-E402 PolarHBondContact O-N 2.89Å; A399-L403 PolarHBondContact O-N 2.88Å |
| 400 | H | 78.1 | Confident | 74.7 | Confident | 150 Ų | 150 | 109.6 Ų | 109.6 | 69% | 0.694 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -55.8 | -36.4 | -176 | -176 | 41.7 | 0 | 0 | 0 | 112.9 | L403 C404 | H400-L403 PolarHBondContact O-N 3.4Å; H400-C404 PolarHBondContact O-N 3.41Å; H400-C404 PolarHBondContact O-SG 2.94Å |
| 401 | G | 79.6 | Confident | 76.8 | Confident | 54 Ų | 54 | 109.8 Ų | 109.8 | 56% | 0.557 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.2 | -31.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A399 S405 | A399-G401 PolarHBondContact O-N 3.08Å; A399-G401 VanDerWaalsContact O-N 3.11Å; G401-S405 WeakPolarHBondContact O-CB 3.44Å; G401-S405 PolarHBondContact O-N 3.34Å |
| 402 | E | 86.8 | Confident | 79 | Confident | 102 Ų | 102 | 103.5 Ų | 103.5 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.3 | -40 | 174.3 | -62.8 | 178.2 | 127.2 | 0 | 0 | 111.2 | L398 A399 S405 L406 | L398-E402 WeakPolarHBondContact CA-OE2 3.36Å; L398-E402 HydrophobicContact CB-CB 4.1Å; L398-E402 HydrophobicContact CD2-CB 4.27Å; L398-E402 HydrophobicContact CG-CB 4.3Å; A399-E402 HydrophobicContact CB-CG 4.18Å; A399-E402 PolarHBondContact N-OE2 3.38Å; A399-E402 WeakPolarHBondContact O-CA 3.31Å; A399-E402 WeakPolarHBondContact O-CB 3.35Å; A399-E402 PolarHBondContact O-N 2.89Å; E402-S405 PolarHBondContact O-N 2.93Å; E402-S405 PolarHBondContact O-OG 3.44Å; E402-S405 VanDerWaalsContact O-OG 3.04Å; E402-L406 VanDerWaalsContact O-CB 3.3Å; E402-L406 WeakPolarHBondContact O-CB 3.37Å; E402-L406 PolarHBondContact O-N 2.88Å |
| 403 | L | 86.8 | Confident | 81.1 | Confident | 84 Ų | 84 | 103 Ų | 103 | 44% | 0.44 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -44.6 | 172.7 | -70 | 173.5 | 0 | 0 | 0 | 111.4 | L398 A399 H400 L406 Q407 | L398-L403 HydrophobicContact CB-CD2 3.85Å; L398-L403 HydrophobicContact CB-CG 3.8Å; L398-L403 HydrophobicContact CD2-CD2 3.92Å; L398-L403 HydrophobicContact CG-CD2 4.48Å; A399-L403 PolarHBondContact O-N 2.88Å; H400-L403 PolarHBondContact O-N 3.4Å; L403-L406 PolarHBondContact O-N 3.1Å; L403-Q407 WeakPolarHBondContact O-CB 3.38Å; L403-Q407 PolarHBondContact O-N 2.86Å |
| 404 | C | 85.4 | Confident | 83.2 | Confident | 61 Ų | 61 | 101.5 Ų | 101.5 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 175.7 | -68.3 | 0 | 0 | 0 | 0 | 112.5 | H400 Q407 G408 | H400-C404 PolarHBondContact O-N 3.41Å; H400-C404 PolarHBondContact O-SG 2.94Å; C404-Q407 PolarHBondContact O-N 3.04Å; C404-G408 PolarHBondContact O-N 3Å |
| 405 | S | 90.1 | Very high | 85.4 | Confident | 69 Ų | 69 | 100.7 Ų | 100.7 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.6 | -37.2 | 176.9 | 79.7 | 0 | 0 | 0 | 0 | 112.3 | G401 E402 R409 | G401-S405 WeakPolarHBondContact O-CB 3.44Å; G401-S405 PolarHBondContact O-N 3.34Å; E402-S405 PolarHBondContact O-N 2.93Å; E402-S405 PolarHBondContact O-OG 3.44Å; E402-S405 VanDerWaalsContact O-OG 3.04Å; S405-R409 WeakPolarHBondContact O-CB 3.46Å; S405-R409 VanDerWaalsContact O-CG 3.3Å; S405-R409 WeakPolarHBondContact O-CG 3.28Å; S405-R409 PolarHBondContact O-N 2.96Å |
| 406 | L | 92.8 | Very high | 87.5 | Confident | 86 Ų | 86 | 97.6 Ų | 97.6 | 45% | 0.45 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 173.4 | -177.7 | 60.7 | 0 | 0 | 0 | 111.5 | L398 E402 L403 R409 L410 | L398-L406 HydrophobicContact CD2-CD2 4.23Å; E402-L406 VanDerWaalsContact O-CB 3.3Å; E402-L406 WeakPolarHBondContact O-CB 3.37Å; E402-L406 PolarHBondContact O-N 2.88Å; L403-L406 PolarHBondContact O-N 3.1Å; L406-R409 PolarHBondContact O-N 3.2Å; L406-L410 WeakPolarHBondContact O-CB 3.1Å; L406-L410 PolarHBondContact O-N 2.88Å |
| 407 | Q | 93.3 | Very high | 89.2 | Confident | 130 Ų | 130 | 96.9 Ų | 96.9 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 175.3 | -175.9 | 175.8 | -5.3 | 0 | 0 | 111.7 | L403 C404 R409 L410 Q411 | L403-Q407 WeakPolarHBondContact O-CB 3.38Å; L403-Q407 PolarHBondContact O-N 2.86Å; C404-Q407 PolarHBondContact O-N 3.04Å; Q407-R409 PolarHBondContact O-N 3.28Å; Q407-L410 PolarHBondContact O-N 2.82Å; Q407-Q411 PolarHBondContact O-N 3.43Å |
| 408 | G | 95.3 | Very high | 90.9 | Very high | 39 Ų | 39 | 92.3 Ų | 92.3 | 40% | 0.402 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | C404 S412 | C404-G408 PolarHBondContact O-N 3Å; G408-S412 WeakPolarHBondContact O-CB 3.45Å; G408-S412 PolarHBondContact O-N 3.36Å |
| 409 | R | 96.3 | Very high | 92.5 | Very high | 181 Ų | 181 | 91.6 Ų | 91.6 | 68% | 0.683 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | 172.6 | -74.6 | 175 | 65.4 | -163.9 | -0.4 | 112.4 | S405 L406 Q407 S412 V413 | S405-R409 WeakPolarHBondContact O-CB 3.46Å; S405-R409 VanDerWaalsContact O-CG 3.3Å; S405-R409 WeakPolarHBondContact O-CG 3.28Å; S405-R409 PolarHBondContact O-N 2.96Å; L406-R409 PolarHBondContact O-N 3.2Å; Q407-R409 PolarHBondContact O-N 3.28Å; R409-S412 PolarHBondContact O-N 3.01Å; R409-V413 WeakPolarHBondContact O-CG2 3.4Å; R409-V413 PolarHBondContact O-N 3.12Å; R409-V413 VanDerWaalsContact O-N 3.12Å |
| 410 | L | 97.7 | Very high | 93.5 | Very high | 93 Ų | 93 | 91.7 Ų | 91.7 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -46.8 | 178.2 | -174.2 | 148.6 | 0 | 0 | 0 | 111 | L406 Q407 S412 V413 E414 | L406-L410 WeakPolarHBondContact O-CB 3.1Å; L406-L410 PolarHBondContact O-N 2.88Å; Q407-L410 PolarHBondContact O-N 2.82Å; L410-S412 VanDerWaalsContact C-N 3.32Å; L410-S412 PolarHBondContact O-N 3.14Å; L410-V413 WeakPolarHBondContact O-CA 3.49Å; L410-V413 WeakPolarHBondContact O-CB 3.42Å; L410-V413 PolarHBondContact O-N 3.27Å; L410-E414 HydrophobicContact CD2-CG 4.15Å; L410-E414 PolarHBondContact O-N 2.91Å |
| 411 | Q | 96.9 | Very high | 94.4 | Very high | 99 Ų | 99 | 90.5 Ų | 90.5 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.1 | -44 | 174.1 | -177.7 | -176.5 | -26.7 | 0 | 0 | 111.5 | Q407 V413 E414 E415 | Q407-Q411 PolarHBondContact O-N 3.43Å; Q411-V413 VanDerWaalsContact C-N 3.27Å; Q411-V413 PolarHBondContact O-N 2.88Å; Q411-E414 PolarHBondContact O-N 2.97Å; Q411-E414 VanDerWaalsContact O-N 3.11Å; Q411-E415 HydrophobicContact CG-CG 4.44Å; Q411-E415 WeakPolarHBondContact CG-OE1 3.36Å; Q411-E415 PolarHBondContact NE2-OE1 3.21Å; Q411-E415 WeakPolarHBondContact O-CG 3.28Å; Q411-E415 PolarHBondContact O-N 3.28Å |
| 412 | S | 97.7 | Very high | 95.3 | Very high | 70 Ų | 70 | 93.1 Ų | 93.1 | 49% | 0.49 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -33.1 | 176.2 | -176.1 | 0 | 0 | 0 | 0 | 113 | G408 R409 L410 S416 | G408-S412 WeakPolarHBondContact O-CB 3.45Å; G408-S412 PolarHBondContact O-N 3.36Å; R409-S412 PolarHBondContact O-N 3.01Å; L410-S412 VanDerWaalsContact C-N 3.32Å; L410-S412 PolarHBondContact O-N 3.14Å; S412-S416 WeakPolarHBondContact O-CB 3.3Å; S412-S416 PolarHBondContact O-N 2.94Å |
| 413 | V | 98.3 | Very high | 95.9 | Very high | 99 Ų | 99 | 93.2 Ų | 93.2 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.4 | -38.3 | 172.6 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | R409 L410 Q411 S416 L417 | R409-V413 WeakPolarHBondContact O-CG2 3.4Å; R409-V413 PolarHBondContact O-N 3.12Å; R409-V413 VanDerWaalsContact O-N 3.12Å; L410-V413 WeakPolarHBondContact O-CA 3.49Å; L410-V413 WeakPolarHBondContact O-CB 3.42Å; L410-V413 PolarHBondContact O-N 3.27Å; Q411-V413 VanDerWaalsContact C-N 3.27Å; Q411-V413 PolarHBondContact O-N 2.88Å; V413-S416 PolarHBondContact O-N 2.69Å; V413-L417 VanDerWaalsContact O-CB 3.3Å; V413-L417 WeakPolarHBondContact O-CB 3.45Å; V413-L417 PolarHBondContact O-N 3.49Å |
| 414 | E | 98.1 | Very high | 96.4 | Very high | 117 Ų | 117 | 94 Ų | 94 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 175.1 | -68.8 | 178.9 | 147.6 | 0 | 0 | 111.9 | L410 Q411 S416 L417 Q418 | L410-E414 HydrophobicContact CD2-CG 4.15Å; L410-E414 PolarHBondContact O-N 2.91Å; Q411-E414 PolarHBondContact O-N 2.97Å; Q411-E414 VanDerWaalsContact O-N 3.11Å; E414-S416 PolarHBondContact O-N 3.08Å; E414-L417 PolarHBondContact O-N 3.12Å; E414-Q418 WeakPolarHBondContact O-CB 3.35Å; E414-Q418 PolarHBondContact O-N 3.43Å |
| 415 | E | 98.1 | Very high | 97 | Very high | 109 Ų | 109 | 97.6 Ų | 97.6 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 174.3 | -71.3 | 171.5 | -173.9 | 0 | 0 | 111.8 | Q411 Q418 S419 | Q411-E415 HydrophobicContact CG-CG 4.44Å; Q411-E415 WeakPolarHBondContact CG-OE1 3.36Å; Q411-E415 PolarHBondContact NE2-OE1 3.21Å; Q411-E415 WeakPolarHBondContact O-CG 3.28Å; Q411-E415 PolarHBondContact O-N 3.28Å; E415-Q418 PolarHBondContact O-N 3.46Å; E415-S419 WeakPolarHBondContact O-CB 3.48Å; E415-S419 PolarHBondContact O-N 3.1Å |
| 416 | S | 98.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 98.6 Ų | 98.6 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 173.9 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | S412 V413 E414 S419 N420 | S412-S416 WeakPolarHBondContact O-CB 3.3Å; S412-S416 PolarHBondContact O-N 2.94Å; V413-S416 PolarHBondContact O-N 2.69Å; E414-S416 PolarHBondContact O-N 3.08Å; S416-S419 PolarHBondContact O-N 3.2Å; S416-N420 WeakPolarHBondContact O-CB 3.34Å; S416-N420 PolarHBondContact O-N 3.5Å; S416-N420 PolarHBondContact O-ND2 2.87Å |
| 417 | L | 98.4 | Very high | 97.7 | Very high | 118 Ų | 118 | 99.7 Ų | 99.7 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 177.5 | -177.7 | 61.7 | 0 | 0 | 0 | 111.7 | V413 E414 N420 Q421 | V413-L417 VanDerWaalsContact O-CB 3.3Å; V413-L417 WeakPolarHBondContact O-CB 3.45Å; V413-L417 PolarHBondContact O-N 3.49Å; E414-L417 PolarHBondContact O-N 3.12Å; L417-N420 PolarHBondContact O-N 2.92Å; L417-Q421 PolarHBondContact O-N 3.46Å |
| 418 | Q | 98.4 | Very high | 97.8 | Very high | 95 Ų | 95 | 97.6 Ų | 97.6 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 174.1 | -179.9 | 63.1 | 31.5 | 0 | 0 | 111.2 | E414 E415 N420 Q421 E422 | E414-Q418 WeakPolarHBondContact O-CB 3.35Å; E414-Q418 PolarHBondContact O-N 3.43Å; E415-Q418 PolarHBondContact O-N 3.46Å; Q418-N420 VanDerWaalsContact C-N 3.27Å; Q418-N420 PolarHBondContact O-N 2.94Å; Q418-Q421 WeakPolarHBondContact O-CB 3.43Å; Q418-Q421 PolarHBondContact O-N 3.35Å; Q418-E422 PolarHBondContact NE2-OE1 3.26Å; Q418-E422 PolarHBondContact O-N 3.02Å |
| 419 | S | 98.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 99.6 Ų | 99.6 | 33% | 0.329 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 176 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | E415 S416 E422 K423 | E415-S419 WeakPolarHBondContact O-CB 3.48Å; E415-S419 PolarHBondContact O-N 3.1Å; S416-S419 PolarHBondContact O-N 3.2Å; S419-E422 PolarHBondContact O-N 3.27Å; S419-K423 VanDerWaalsContact O-CG 3.26Å; S419-K423 WeakPolarHBondContact O-CG 3.3Å; S419-K423 PolarHBondContact O-N 2.89Å; S419-K423 WeakPolarHBondContact OG-CE 3.43Å; S419-K423 PolarHBondContact OG-NZ 3.29Å |
| 420 | N | 98.4 | Very high | 97.8 | Very high | 62 Ų | 62 | 94.4 Ų | 94.4 | 33% | 0.332 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.6 | -35.2 | 178.6 | -66 | -25.3 | 0 | 0 | 0 | 112.3 | S416 L417 Q418 E422 K423 I424 | S416-N420 WeakPolarHBondContact O-CB 3.34Å; S416-N420 PolarHBondContact O-N 3.5Å; S416-N420 PolarHBondContact O-ND2 2.87Å; L417-N420 PolarHBondContact O-N 2.92Å; Q418-N420 VanDerWaalsContact C-N 3.27Å; Q418-N420 PolarHBondContact O-N 2.94Å; N420-E422 VanDerWaalsContact C-N 3.31Å; N420-E422 PolarHBondContact O-N 2.89Å; N420-K423 PolarHBondContact O-N 3.34Å; N420-K423 PolarHBondContact OD1-NZ 2.92Å; N420-I424 WeakPolarHBondContact O-CB 3.28Å; N420-I424 WeakPolarHBondContact O-CD1 3.41Å; N420-I424 WeakPolarHBondContact O-CG1 3.3Å; N420-I424 PolarHBondContact O-N 3.46Å |
| 421 | Q | 98.6 | Very high | 97.5 | Very high | 124 Ų | 124 | 93.6 Ų | 93.6 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.6 | -41.1 | 170.7 | -176.9 | 177.7 | -2 | 0 | 0 | 111.4 | L417 Q418 K425 | L417-Q421 PolarHBondContact O-N 3.46Å; Q418-Q421 WeakPolarHBondContact O-CB 3.43Å; Q418-Q421 PolarHBondContact O-N 3.35Å; Q421-K425 WeakPolarHBondContact O-CB 3.44Å; Q421-K425 PolarHBondContact O-N 3.1Å |
| 422 | E | 98.4 | Very high | 97.1 | Very high | 109 Ų | 109 | 93.7 Ų | 93.7 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -44 | 176.6 | -72.3 | 173.3 | -165.9 | 0 | 0 | 112.3 | Q418 S419 N420 I424 K425 V426 | Q418-E422 PolarHBondContact NE2-OE1 3.26Å; Q418-E422 PolarHBondContact O-N 3.02Å; S419-E422 PolarHBondContact O-N 3.27Å; N420-E422 VanDerWaalsContact C-N 3.31Å; N420-E422 PolarHBondContact O-N 2.89Å; E422-I424 PolarHBondContact O-N 3.22Å; E422-K425 WeakPolarHBondContact O-CB 3.43Å; E422-K425 PolarHBondContact O-N 3.46Å; E422-V426 WeakPolarHBondContact O-CG2 3.48Å; E422-V426 PolarHBondContact O-N 2.93Å |
| 423 | K | 98.4 | Very high | 96.9 | Very high | 105 Ų | 105 | 95.2 Ų | 95.2 | 46% | 0.457 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 172.5 | -69.7 | 163.8 | -154.8 | 156 | 0 | 111.9 | S419 N420 K425 V426 L427 | S419-K423 VanDerWaalsContact O-CG 3.26Å; S419-K423 WeakPolarHBondContact O-CG 3.3Å; S419-K423 PolarHBondContact O-N 2.89Å; S419-K423 WeakPolarHBondContact OG-CE 3.43Å; S419-K423 PolarHBondContact OG-NZ 3.29Å; N420-K423 PolarHBondContact O-N 3.34Å; N420-K423 PolarHBondContact OD1-NZ 2.92Å; K423-K425 VanDerWaalsContact C-N 3.32Å; K423-K425 PolarHBondContact O-N 3.16Å; K423-V426 PolarHBondContact O-N 3.38Å; K423-L427 WeakPolarHBondContact O-CG 3.28Å; K423-L427 PolarHBondContact O-N 2.99Å |
| 424 | I | 98.1 | Very high | 96.5 | Very high | 100 Ų | 100 | 96 Ų | 96 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 177.4 | -70.9 | 164.3 | 0 | 0 | 0 | 110.6 | N420 E422 V426 L427 L428 | N420-I424 WeakPolarHBondContact O-CB 3.28Å; N420-I424 WeakPolarHBondContact O-CD1 3.41Å; N420-I424 WeakPolarHBondContact O-CG1 3.3Å; N420-I424 PolarHBondContact O-N 3.46Å; E422-I424 PolarHBondContact O-N 3.22Å; I424-V426 PolarHBondContact O-N 2.95Å; I424-L427 PolarHBondContact O-N 3.31Å; I424-L428 HydrophobicContact CG2-CD1 3.87Å; I424-L428 HydrophobicContact CG2-CG 4.34Å; I424-L428 WeakPolarHBondContact O-CB 3.4Å; I424-L428 VanDerWaalsContact O-CG 3.28Å; I424-L428 WeakPolarHBondContact O-CG 3.5Å; I424-L428 PolarHBondContact O-N 2.86Å |
| 425 | K | 97.9 | Very high | 96 | Very high | 137 Ų | 137 | 92.4 Ų | 92.4 | 60% | 0.596 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 176.1 | -176.3 | -175.9 | 176.6 | -171.9 | 0 | 112.3 | Q421 E422 K423 L428 N429 | Q421-K425 WeakPolarHBondContact O-CB 3.44Å; Q421-K425 PolarHBondContact O-N 3.1Å; E422-K425 WeakPolarHBondContact O-CB 3.43Å; E422-K425 PolarHBondContact O-N 3.46Å; K423-K425 VanDerWaalsContact C-N 3.32Å; K423-K425 PolarHBondContact O-N 3.16Å; K425-L428 PolarHBondContact O-N 3.46Å; K425-N429 VanDerWaalsContact O-CG 3.29Å; K425-N429 PolarHBondContact O-N 3.49Å; K425-N429 VanDerWaalsContact O-N 3.1Å; K425-N429 PolarHBondContact O-OD1 3.3Å |
| 426 | V | 98.4 | Very high | 95.5 | Very high | 90 Ų | 90 | 92.9 Ų | 92.9 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 175.7 | 172 | 0 | 0 | 0 | 0 | 111 | E422 K423 I424 L428 N429 V430 | E422-V426 WeakPolarHBondContact O-CG2 3.48Å; E422-V426 PolarHBondContact O-N 2.93Å; K423-V426 PolarHBondContact O-N 3.38Å; I424-V426 PolarHBondContact O-N 2.95Å; V426-L428 PolarHBondContact O-N 3.01Å; V426-N429 PolarHBondContact O-N 3.05Å; V426-V430 HydrophobicContact CG1-CG2 4.5Å; V426-V430 WeakPolarHBondContact O-CG2 3.26Å; V426-V430 PolarHBondContact O-N 3.38Å |
| 427 | L | 98.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 92.6 Ų | 92.6 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | 177.5 | -70.4 | 170 | 0 | 0 | 0 | 112.3 | K423 I424 N429 V430 I431 | K423-L427 WeakPolarHBondContact O-CG 3.28Å; K423-L427 PolarHBondContact O-N 2.99Å; I424-L427 PolarHBondContact O-N 3.31Å; L427-N429 VanDerWaalsContact C-N 3.35Å; L427-N429 PolarHBondContact O-N 2.94Å; L427-V430 PolarHBondContact O-N 3.24Å; L427-I431 WeakPolarHBondContact O-CD1 3.45Å; L427-I431 VanDerWaalsContact O-CG1 3.27Å; L427-I431 WeakPolarHBondContact O-CG1 3.27Å; L427-I431 PolarHBondContact O-N 2.79Å |
| 428 | L | 94.8 | Very high | 94.5 | Very high | 86 Ų | 86 | 94.3 Ų | 94.3 | 45% | 0.45 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 176.1 | -73.5 | 170.9 | 0 | 0 | 0 | 112.6 | I424 K425 V426 Q432 | I424-L428 HydrophobicContact CG2-CD1 3.87Å; I424-L428 HydrophobicContact CG2-CG 4.34Å; I424-L428 WeakPolarHBondContact O-CB 3.4Å; I424-L428 VanDerWaalsContact O-CG 3.28Å; I424-L428 WeakPolarHBondContact O-CG 3.5Å; I424-L428 PolarHBondContact O-N 2.86Å; K425-L428 PolarHBondContact O-N 3.46Å; V426-L428 PolarHBondContact O-N 3.01Å; L428-Q432 WeakPolarHBondContact O-CG 3.35Å; L428-Q432 PolarHBondContact O-N 3.11Å; L428-Q432 VanDerWaalsContact O-N 3.08Å |
| 429 | N | 95.1 | Very high | 93.9 | Very high | 80 Ų | 80 | 89.8 Ų | 89.8 | 43% | 0.428 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.4 | -47 | 173.6 | -69.5 | -3.6 | 0 | 0 | 0 | 111.1 | K425 V426 L427 I431 Q432 D433 | K425-N429 VanDerWaalsContact O-CG 3.29Å; K425-N429 PolarHBondContact O-N 3.49Å; K425-N429 VanDerWaalsContact O-N 3.1Å; K425-N429 PolarHBondContact O-OD1 3.3Å; V426-N429 PolarHBondContact O-N 3.05Å; L427-N429 VanDerWaalsContact C-N 3.35Å; L427-N429 PolarHBondContact O-N 2.94Å; N429-I431 VanDerWaalsContact C-N 3.3Å; N429-I431 PolarHBondContact O-N 2.86Å; N429-Q432 WeakPolarHBondContact O-CB 3.31Å; N429-Q432 PolarHBondContact O-N 2.78Å; N429-Q432 VanDerWaalsContact O-N 3.1Å; N429-D433 PolarHBondContact O-N 3.33Å |
| 430 | V | 96.7 | Very high | 93.3 | Very high | 72 Ų | 72 | 92.6 Ų | 92.6 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60 | -39.7 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | V426 L427 D433 L434 | V426-V430 HydrophobicContact CG1-CG2 4.5Å; V426-V430 WeakPolarHBondContact O-CG2 3.26Å; V426-V430 PolarHBondContact O-N 3.38Å; L427-V430 PolarHBondContact O-N 3.24Å; V430-D433 PolarHBondContact O-N 2.88Å; V430-L434 HydrophobicContact CG1-CD1 3.9Å; V430-L434 HydrophobicContact CG1-CG 4.39Å; V430-L434 WeakPolarHBondContact O-CB 3.21Å; V430-L434 VanDerWaalsContact O-CG 3.24Å; V430-L434 WeakPolarHBondContact O-CG 3.3Å; V430-L434 PolarHBondContact O-N 3.46Å |
| 431 | I | 91.3 | Very high | 92.8 | Very high | 77 Ų | 77 | 94.1 Ų | 94.1 | 40% | 0.395 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 173.6 | -70.4 | 162.9 | 0 | 0 | 0 | 110.8 | L427 N429 D433 L434 E435 T449 | L427-I431 WeakPolarHBondContact O-CD1 3.45Å; L427-I431 VanDerWaalsContact O-CG1 3.27Å; L427-I431 WeakPolarHBondContact O-CG1 3.27Å; L427-I431 PolarHBondContact O-N 2.79Å; N429-I431 VanDerWaalsContact C-N 3.3Å; N429-I431 PolarHBondContact O-N 2.86Å; I431-D433 PolarHBondContact O-N 3.25Å; I431-L434 PolarHBondContact O-N 2.87Å; I431-E435 HydrophobicContact CG2-CG 4.35Å; I431-E435 WeakPolarHBondContact O-CB 3.4Å; I431-E435 WeakPolarHBondContact O-CG 3.49Å; I431-E435 PolarHBondContact O-N 2.91Å; I431-T449 HydrophobicContact CG2-CG2 4.36Å |
| 432 | Q | 90.2 | Very high | 92.2 | Very high | 101 Ų | 101 | 92 Ų | 92 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 178.3 | -73 | 169.4 | 34.1 | 0 | 0 | 112.6 | L428 N429 K436 | L428-Q432 WeakPolarHBondContact O-CG 3.35Å; L428-Q432 PolarHBondContact O-N 3.11Å; L428-Q432 VanDerWaalsContact O-N 3.08Å; N429-Q432 WeakPolarHBondContact O-CB 3.31Å; N429-Q432 PolarHBondContact O-N 2.78Å; N429-Q432 VanDerWaalsContact O-N 3.1Å; Q432-K436 WeakPolarHBondContact O-CB 3.18Å; Q432-K436 PolarHBondContact O-N 3.17Å |
| 433 | D | 91.7 | Very high | 91.6 | Very high | 101 Ų | 101 | 90 Ų | 90 | 54% | 0.54 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.7 | -39.4 | 177.2 | -75.4 | -38.3 | 0 | 0 | 0 | 111.9 | N429 V430 I431 K436 A437 | N429-D433 PolarHBondContact O-N 3.33Å; V430-D433 PolarHBondContact O-N 2.88Å; I431-D433 PolarHBondContact O-N 3.25Å; D433-K436 PolarHBondContact O-N 2.71Å; D433-A437 VanDerWaalsContact O-CB 3.28Å; D433-A437 WeakPolarHBondContact O-CB 3.37Å; D433-A437 PolarHBondContact O-N 2.7Å |
| 434 | L | 91 | Very high | 90.8 | Very high | 115 Ų | 115 | 88.5 Ų | 88.5 | 60% | 0.602 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.3 | -42.3 | 173.8 | -72 | 170.9 | 0 | 0 | 0 | 112.5 | V430 I431 R438 | V430-L434 HydrophobicContact CG1-CD1 3.9Å; V430-L434 HydrophobicContact CG1-CG 4.39Å; V430-L434 WeakPolarHBondContact O-CB 3.21Å; V430-L434 VanDerWaalsContact O-CG 3.24Å; V430-L434 WeakPolarHBondContact O-CG 3.3Å; V430-L434 PolarHBondContact O-N 3.46Å; I431-L434 PolarHBondContact O-N 2.87Å; L434-R438 WeakPolarHBondContact O-CB 3.25Å; L434-R438 PolarHBondContact O-N 2.6Å |
| 435 | E | 87 | Confident | 89.5 | Confident | 43 Ų | 43 | 90.1 Ų | 90.1 | 20% | 0.201 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 174.2 | -75.6 | -178.8 | 137.6 | 0 | 0 | 111.4 | I431 R438 A439 Y447 T449 | I431-E435 HydrophobicContact CG2-CG 4.35Å; I431-E435 WeakPolarHBondContact O-CB 3.4Å; I431-E435 WeakPolarHBondContact O-CG 3.49Å; I431-E435 PolarHBondContact O-N 2.91Å; E435-R438 PolarHBondContact O-N 2.88Å; E435-A439 WeakPolarHBondContact O-CB 3.11Å; E435-A439 PolarHBondContact O-N 2.87Å; E435-Y447 HydrophobicContact CB-CD2 4.34Å; E435-Y447 WeakPolarHBondContact O-CD2 3.22Å; E435-T449 WeakPolarHBondContact OE1-CA 3.33Å; E435-T449 WeakPolarHBondContact OE2-CA 3.49Å; E435-T449 WeakPolarHBondContact OE2-CB 3.08Å; E435-T449 WeakPolarHBondContact OE2-CG2 3.42Å; E435-T449 PolarHBondContact OE2-OG1 2.86Å |
| 436 | K | 87.6 | Confident | 87.9 | Confident | 118 Ų | 118 | 90.3 Ų | 90.3 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 177.6 | -178.1 | -177.2 | 173.7 | -168.5 | 0 | 112.4 | Q432 D433 R438 A439 L440 | Q432-K436 WeakPolarHBondContact O-CB 3.18Å; Q432-K436 PolarHBondContact O-N 3.17Å; D433-K436 PolarHBondContact O-N 2.71Å; K436-R438 VanDerWaalsContact C-N 3.34Å; K436-A439 WeakPolarHBondContact O-CB 3.49Å; K436-A439 PolarHBondContact O-N 3.18Å; K436-L440 WeakPolarHBondContact O-CG 3.4Å; K436-L440 PolarHBondContact O-N 3.41Å; K436-L440 VanDerWaalsContact O-N 3.09Å |
| 437 | A | 89.9 | Confident | 86.5 | Confident | 56 Ų | 56 | 87.8 Ų | 87.8 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D433 L440 S441 | D433-A437 VanDerWaalsContact O-CB 3.28Å; D433-A437 WeakPolarHBondContact O-CB 3.37Å; D433-A437 PolarHBondContact O-N 2.7Å; A437-L440 PolarHBondContact O-N 2.97Å; A437-S441 PolarHBondContact O-N 2.86Å |
| 438 | R | 86.9 | Confident | 85.1 | Confident | 154 Ų | 154 | 88 Ų | 88 | 58% | 0.581 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 175 | -171.4 | -176.7 | -65.6 | -169.5 | -1.3 | 111.9 | L434 E435 K436 L440 S441 E442 Y447 | L434-R438 WeakPolarHBondContact O-CB 3.25Å; L434-R438 PolarHBondContact O-N 2.6Å; E435-R438 PolarHBondContact O-N 2.88Å; K436-R438 VanDerWaalsContact C-N 3.34Å; R438-L440 VanDerWaalsContact C-N 3.34Å; R438-L440 PolarHBondContact O-N 3.46Å; R438-S441 WeakPolarHBondContact CA-OG 3.4Å; R438-S441 PolarHBondContact O-N 3.45Å; R438-S441 VanDerWaalsContact O-N 3.13Å; R438-S441 PolarHBondContact O-OG 3.49Å; R438-E442 WeakPolarHBondContact CD-OE1 3.28Å; R438-E442 VanDerWaalsContact CG-OE1 3.26Å; R438-E442 WeakPolarHBondContact CG-OE1 3.13Å; R438-E442 PolarHBondContact O-N 3.43Å; R438-Y447 HydrophobicContact CB-CE2 4.03Å; R438-Y447 HydrophobicContact CG-CE2 3.97Å |
| 439 | A | 85.5 | Confident | 84 | Confident | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -53.5 | -52.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E435 K436 S441 E442 G443 R444 Y447 | E435-A439 WeakPolarHBondContact O-CB 3.11Å; E435-A439 PolarHBondContact O-N 2.87Å; K436-A439 WeakPolarHBondContact O-CB 3.49Å; K436-A439 PolarHBondContact O-N 3.18Å; A439-S441 VanDerWaalsContact C-N 3.31Å; A439-S441 PolarHBondContact O-N 2.81Å; A439-E442 CarbonylContact O-C 3.56Å; A439-E442 PolarHBondContact O-N 2.7Å; A439-E442 VanDerWaalsContact O-N 3.1Å; A439-G443 PolarHBondContact O-N 3.47Å; A439-R444 CarbonylContact C-O 3.5Å; A439-R444 HydrophobicContact CB-CB 4.37Å; A439-R444 WeakPolarHBondContact CB-O 3.43Å; A439-R444 CarbonylContact O-C 2.92Å; A439-R444 WeakPolarHBondContact O-CA 3.44Å; A439-R444 PolarHBondContact O-N 3.03Å; A439-Y447 WeakPolarHBondContact CA-OH 3.41Å; A439-Y447 HydrophobicContact CB-CD1 3.74Å; A439-Y447 HydrophobicContact CB-CD2 3.91Å; A439-Y447 HydrophobicContact CB-CE1 3.65Å; A439-Y447 HydrophobicContact CB-CE2 3.89Å; A439-Y447 HydrophobicContact CB-CG 3.82Å |
| 440 | L | 86.2 | Confident | 82.8 | Confident | 105 Ų | 105 | 85.7 Ų | 85.7 | 55% | 0.55 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 178.9 | -65.6 | 170.9 | 0 | 0 | 0 | 112.1 | K436 A437 R438 E442 G443 R444 | K436-L440 WeakPolarHBondContact O-CG 3.4Å; K436-L440 PolarHBondContact O-N 3.41Å; K436-L440 VanDerWaalsContact O-N 3.09Å; A437-L440 PolarHBondContact O-N 2.97Å; R438-L440 VanDerWaalsContact C-N 3.34Å; R438-L440 PolarHBondContact O-N 3.46Å; L440-E442 VanDerWaalsContact C-N 3.31Å; L440-E442 PolarHBondContact O-N 3.03Å; L440-G443 PolarHBondContact O-N 2.88Å; L440-G443 VanDerWaalsContact O-N 3.13Å; L440-R444 PolarHBondContact N-O 3.04Å |
| 441 | S | 86.6 | Confident | 81.7 | Confident | 94 Ų | 94 | 88.4 Ų | 88.4 | 66% | 0.657 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.4 | -28.7 | 175.9 | 73.6 | 0 | 0 | 0 | 0 | 114 | A437 R438 A439 G443 | A437-S441 PolarHBondContact O-N 2.86Å; R438-S441 WeakPolarHBondContact CA-OG 3.4Å; R438-S441 PolarHBondContact O-N 3.45Å; R438-S441 VanDerWaalsContact O-N 3.13Å; R438-S441 PolarHBondContact O-OG 3.49Å; A439-S441 VanDerWaalsContact C-N 3.31Å; A439-S441 PolarHBondContact O-N 2.81Å; S441-G443 VanDerWaalsContact C-N 3.31Å |
| 442 | E | 86.9 | Confident | 80.9 | Confident | 80 Ų | 80 | 85.8 Ų | 85.8 | 37% | 0.374 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 11.3 | 174.2 | -67.8 | -179.9 | -112.5 | 0 | 0 | 112.6 | R438 A439 L440 R444 Y447 N455 | R438-E442 WeakPolarHBondContact CD-OE1 3.28Å; R438-E442 VanDerWaalsContact CG-OE1 3.26Å; R438-E442 WeakPolarHBondContact CG-OE1 3.13Å; R438-E442 PolarHBondContact O-N 3.43Å; A439-E442 CarbonylContact O-C 3.56Å; A439-E442 PolarHBondContact O-N 2.7Å; A439-E442 VanDerWaalsContact O-N 3.1Å; L440-E442 VanDerWaalsContact C-N 3.31Å; L440-E442 PolarHBondContact O-N 3.03Å; E442-R444 HydrophobicContact CB-CG 4.43Å; E442-R444 PolarHBondContact O-N 2.91Å; E442-R444 IonicContact OE1-NH2 3.52Å; E442-R444 IonicContact OE2-CZ 3.54Å; E442-R444 IonicContact OE2-NE 3.63Å; E442-R444 IonicContact OE2-NH2 2.7Å; E442-R444 PolarHBondContact OE2-NH2 3.31Å; E442-Y447 WeakPolarHBondContact CB-OH 3.34Å; E442-Y447 PolarHBondContact OE1-OH 3.39Å; E442-Y447 PolarHBondContact OE2-OH 3.4Å; E442-N455 PolarHBondContact OE2-ND2 2.84Å |
| 443 | G | 84.9 | Confident | 80.2 | Confident | 68 Ų | 68 | 83.9 Ų | 83.9 | 70% | 0.701 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 13.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A439 L440 S441 | A439-G443 PolarHBondContact O-N 3.47Å; L440-G443 PolarHBondContact O-N 2.88Å; L440-G443 VanDerWaalsContact O-N 3.13Å; S441-G443 VanDerWaalsContact C-N 3.31Å |
| 444 | R | 82.7 | Confident | 79.5 | Confident | 73 Ų | 73 | 85.2 Ų | 85.2 | 28% | 0.275 | 46% | 0.455 | S | S | . | . | | | trans | -99.5 | 132.2 | -179.5 | -58.1 | -163.7 | -93.8 | 160.1 | 2.4 | 109.5 | A439 L440 E442 F446 Y447 D452 N455 | A439-R444 CarbonylContact C-O 3.5Å; A439-R444 HydrophobicContact CB-CB 4.37Å; A439-R444 WeakPolarHBondContact CB-O 3.43Å; A439-R444 CarbonylContact O-C 2.92Å; A439-R444 WeakPolarHBondContact O-CA 3.44Å; A439-R444 PolarHBondContact O-N 3.03Å; L440-R444 PolarHBondContact N-O 3.04Å; E442-R444 HydrophobicContact CB-CG 4.43Å; E442-R444 PolarHBondContact O-N 2.91Å; E442-R444 IonicContact OE1-NH2 3.52Å; E442-R444 IonicContact OE2-CZ 3.54Å; E442-R444 IonicContact OE2-NE 3.63Å; E442-R444 IonicContact OE2-NH2 2.7Å; E442-R444 PolarHBondContact OE2-NH2 3.31Å; R444-F446 VanDerWaalsContact C-N 3.26Å; R444-F446 PolarHBondContact O-N 2.88Å; R444-Y447 HydrophobicContact CB-CE1 3.94Å; R444-Y447 HydrophobicContact CG-CE1 4.39Å; R444-Y447 PolarHBondContact NE-OH 3.2Å; R444-Y447 PolarHBondContact NH2-OH 3.26Å; R444-D452 IonicContact CZ-OD2 3.59Å; R444-D452 VanDerWaalsContact CZ-OD2 3.24Å; R444-D452 IonicContact NH1-OD1 3.62Å; R444-D452 IonicContact NH1-OD2 2.7Å; R444-D452 PolarHBondContact NH1-OD2 3.06Å; R444-D452 IonicContact NH2-OD2 2.89Å; R444-D452 PolarHBondContact NH2-OD2 3.35Å; R444-N455 PolarHBondContact NH2-ND2 3.14Å |
| 445 | N | 70.2 | Confident | 78.8 | Confident | 133 Ų | 133 | 84.6 Ų | 84.6 | 71% | 0.711 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -68.3 | -22.7 | -172.4 | -75.6 | -81.6 | 0 | 0 | 0 | 114.3 | | |
| 446 | F | 63.7 | Low | 78.4 | Confident | 141 Ų | 141 | 84.3 Ų | 84.3 | 62% | 0.618 | 45% | 0.454 | S | S | * | . | | | trans | -167 | 151.6 | 179.6 | 42.2 | -95.2 | 0 | 0 | 0 | 110.6 | R444 | R444-F446 VanDerWaalsContact C-N 3.26Å; R444-F446 PolarHBondContact O-N 2.88Å |
| 447 | Y | 68.8 | Low | 78.2 | Confident | 38 Ų | 38 | 82.1 Ų | 82.1 | 15% | 0.149 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 149.2 | 152.4 | -60.9 | -26.7 | 0 | 0 | 0 | 109.2 | E435 R438 A439 E442 R444 | E435-Y447 HydrophobicContact CB-CD2 4.34Å; E435-Y447 WeakPolarHBondContact O-CD2 3.22Å; R438-Y447 HydrophobicContact CB-CE2 4.03Å; R438-Y447 HydrophobicContact CG-CE2 3.97Å; A439-Y447 WeakPolarHBondContact CA-OH 3.41Å; A439-Y447 HydrophobicContact CB-CD1 3.74Å; A439-Y447 HydrophobicContact CB-CD2 3.91Å; A439-Y447 HydrophobicContact CB-CE1 3.65Å; A439-Y447 HydrophobicContact CB-CE2 3.89Å; A439-Y447 HydrophobicContact CB-CG 3.82Å; E442-Y447 WeakPolarHBondContact CB-OH 3.34Å; E442-Y447 PolarHBondContact OE1-OH 3.39Å; E442-Y447 PolarHBondContact OE2-OH 3.4Å; R444-Y447 HydrophobicContact CB-CE1 3.94Å; R444-Y447 HydrophobicContact CG-CE1 4.39Å; R444-Y447 PolarHBondContact NE-OH 3.2Å; R444-Y447 PolarHBondContact NH2-OH 3.26Å |
| 448 | H | 68.8 | Low | 78 | Confident | 113 Ų | 113 | 84 Ų | 84 | 52% | 0.523 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -94 | 131.5 | 155.1 | -76.9 | -36.7 | 0 | 0 | 0 | 107.8 | G450 Q451 | H448-G450 PolarHBondContact O-N 2.94Å; H448-Q451 HydrophobicContact CB-CB 4.12Å; H448-Q451 HydrophobicContact CB-CG 3.79Å; H448-Q451 WeakPolarHBondContact O-CB 3.13Å; H448-Q451 PolarHBondContact O-N 3.01Å |
| 449 | T | 73 | Confident | 77.7 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 125.4 | -177.2 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | I431 E435 Q451 | I431-T449 HydrophobicContact CG2-CG2 4.36Å; E435-T449 WeakPolarHBondContact OE1-CA 3.33Å; E435-T449 WeakPolarHBondContact OE2-CA 3.49Å; E435-T449 WeakPolarHBondContact OE2-CB 3.08Å; E435-T449 WeakPolarHBondContact OE2-CG2 3.42Å; E435-T449 PolarHBondContact OE2-OG1 2.86Å; T449-Q451 VanDerWaalsContact C-N 3.32Å; T449-Q451 PolarHBondContact O-N 3.5Å |
| 450 | G | 69.5 | Low | 77.6 | Confident | 42 Ų | 42 | 81.3 Ų | 81.3 | 43% | 0.433 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 6.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | H448 | H448-G450 PolarHBondContact O-N 2.94Š|
| 451 | Q | 74.1 | Confident | 77.3 | Confident | 129 Ų | 129 | 81.4 Ų | 81.4 | 60% | 0.603 | 46% | 0.456 | S | S | * | . | | | trans | -99.7 | -2.2 | -177 | -61.1 | -169.9 | 7.2 | 0 | 0 | 115.5 | H448 T449 L453 | H448-Q451 HydrophobicContact CB-CB 4.12Å; H448-Q451 HydrophobicContact CB-CG 3.79Å; H448-Q451 WeakPolarHBondContact O-CB 3.13Å; H448-Q451 PolarHBondContact O-N 3.01Å; T449-Q451 VanDerWaalsContact C-N 3.32Å; T449-Q451 PolarHBondContact O-N 3.5Å; Q451-L453 VanDerWaalsContact C-N 3.3Å; Q451-L453 PolarHBondContact O-N 2.89Å |
| 452 | D | 74.6 | Confident | 77.2 | Confident | 22 Ų | 22 | 80.4 Ų | 80.4 | 12% | 0.118 | 45% | 0.446 | C | S | . | . | | | trans | -80.2 | 77.9 | 179.6 | -162.4 | -15.2 | 0 | 0 | 0 | 112.5 | R444 N454 N455 C456 C459 | R444-D452 IonicContact CZ-OD2 3.59Å; R444-D452 VanDerWaalsContact CZ-OD2 3.24Å; R444-D452 IonicContact NH1-OD1 3.62Å; R444-D452 IonicContact NH1-OD2 2.7Å; R444-D452 PolarHBondContact NH1-OD2 3.06Å; R444-D452 IonicContact NH2-OD2 2.89Å; R444-D452 PolarHBondContact NH2-OD2 3.35Å; D452-N454 PolarHBondContact O-N 2.76Å; D452-N454 PolarHBondContact OD1-N 3.47Å; D452-N454 VanDerWaalsContact OD1-N 3.09Å; D452-N455 PolarHBondContact OD1-N 3.32Å; D452-C456 HydrophobicContact CB-CB 4.34Å; D452-C456 WeakPolarHBondContact O-CB 3.48Å; D452-C456 PolarHBondContact O-N 3.32Å; D452-C459 WeakPolarHBondContact O-CB 3.38Å |
| 453 | L | 75.2 | Confident | 76.7 | Confident | 61 Ų | 61 | 77.2 Ų | 77.2 | 32% | 0.319 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -1.2 | 177.1 | -49.1 | -170.6 | 0 | 0 | 0 | 113.3 | Q451 C459 Q460 A463 Y467 | Q451-L453 VanDerWaalsContact C-N 3.3Å; Q451-L453 PolarHBondContact O-N 2.89Å; L453-C459 HydrophobicContact CD2-CB 4.1Å; L453-Q460 WeakPolarHBondContact O-CG 3.45Å; L453-Q460 PolarHBondContact O-NE2 2.91Å; L453-A463 HydrophobicContact CD1-CB 4.11Å; L453-A463 HydrophobicContact CD2-CB 3.41Å; L453-A463 VanDerWaalsContact CD2-CB 3.41Å; L453-A463 HydrophobicContact CG-CB 4.43Å; L453-Y467 HydrophobicContact CD1-CE2 4.15Å |
| 454 | N | 75.6 | Confident | 76.1 | Confident | 130 Ų | 130 | 78 Ų | 78 | 70% | 0.695 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -48.1 | 179.9 | -64.9 | -18.6 | 0 | 0 | 0 | 110.9 | D452 Q460 | D452-N454 PolarHBondContact O-N 2.76Å; D452-N454 PolarHBondContact OD1-N 3.47Å; D452-N454 VanDerWaalsContact OD1-N 3.09Å; N454-Q460 PolarHBondContact O-NE2 3Å; N454-Q460 VanDerWaalsContact O-NE2 3.14Å |
| 455 | N | 76.6 | Confident | 75.6 | Confident | 102 Ų | 102 | 79.7 Ų | 79.7 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -0.6 | -170.7 | -60.9 | 12.5 | 0 | 0 | 0 | 113.7 | E442 R444 D452 | E442-N455 PolarHBondContact OE2-ND2 2.84Å; R444-N455 PolarHBondContact NH2-ND2 3.14Å; D452-N455 PolarHBondContact OD1-N 3.32Å |
| 456 | C | 79 | Confident | 75.9 | Confident | 36 Ų | 36 | 78.2 Ų | 78.2 | 24% | 0.243 | 43% | 0.432 | C | S | . | . | | | trans | -125.5 | 107.2 | 178 | -173 | 0 | 0 | 0 | 0 | 112.7 | D452 T458 C459 Q460 | D452-C456 HydrophobicContact CB-CB 4.34Å; D452-C456 WeakPolarHBondContact O-CB 3.48Å; D452-C456 PolarHBondContact O-N 3.32Å; C456-T458 VanDerWaalsContact C-N 3.29Å; C456-T458 PolarHBondContact O-N 3.47Å; C456-C459 HydrophobicContact CB-CB 3.94Å; C456-C459 WeakPolarHBondContact O-CA 3.5Å; C456-C459 WeakPolarHBondContact O-CB 3.34Å; C456-C459 PolarHBondContact O-N 2.93Å; C456-Q460 PolarHBondContact O-N 3.44Å |
| 457 | S | 83.9 | Confident | 76.4 | Confident | 73 Ų | 73 | 78 Ų | 78 | 51% | 0.51 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60 | -34.6 | 178.1 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | C459 Q460 N461 | S457-C459 VanDerWaalsContact C-N 3.32Å; S457-C459 PolarHBondContact O-N 3Å; S457-Q460 PolarHBondContact O-N 3.21Å; S457-N461 WeakPolarHBondContact O-CB 3.33Å; S457-N461 VanDerWaalsContact O-CG 3.24Å; S457-N461 PolarHBondContact O-N 3.26Å; S457-N461 PolarHBondContact O-ND2 2.98Å |
| 458 | T | 84.6 | Confident | 76.7 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.8 | -37.8 | 172.9 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | C456 T462 | C456-T458 VanDerWaalsContact C-N 3.29Å; C456-T458 PolarHBondContact O-N 3.47Å; T458-T462 VanDerWaalsContact O-CB 3.28Å; T458-T462 WeakPolarHBondContact O-CB 3.16Å; T458-T462 PolarHBondContact O-N 3.39Å; T458-T462 PolarHBondContact O-OG1 2.9Å |
| 459 | C | 81.2 | Confident | 77.4 | Confident | 17 Ų | 17 | 77 Ų | 77 | 12% | 0.115 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -71.3 | -42.3 | 174.9 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | D452 L453 C456 S457 N461 T462 A463 | D452-C459 WeakPolarHBondContact O-CB 3.38Å; L453-C459 HydrophobicContact CD2-CB 4.1Å; C456-C459 HydrophobicContact CB-CB 3.94Å; C456-C459 WeakPolarHBondContact O-CA 3.5Å; C456-C459 WeakPolarHBondContact O-CB 3.34Å; C456-C459 PolarHBondContact O-N 2.93Å; S457-C459 VanDerWaalsContact C-N 3.32Å; S457-C459 PolarHBondContact O-N 3Å; C459-N461 PolarHBondContact O-N 3.46Å; C459-T462 PolarHBondContact O-N 3.24Å; C459-A463 WeakPolarHBondContact O-CB 3.26Å; C459-A463 PolarHBondContact O-N 3.44Å |
| 460 | Q | 82.8 | Confident | 77.9 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -55.4 | -51.4 | 173.4 | -71.7 | 167.2 | -9.1 | 0 | 0 | 111.9 | L453 N454 C456 S457 A463 C464 | L453-Q460 WeakPolarHBondContact O-CG 3.45Å; L453-Q460 PolarHBondContact O-NE2 2.91Å; N454-Q460 PolarHBondContact O-NE2 3Å; N454-Q460 VanDerWaalsContact O-NE2 3.14Å; C456-Q460 PolarHBondContact O-N 3.44Å; S457-Q460 PolarHBondContact O-N 3.21Å; Q460-A463 PolarHBondContact O-N 3.5Å; Q460-C464 VanDerWaalsContact O-CB 3.31Å; Q460-C464 WeakPolarHBondContact O-CB 3.28Å; Q460-C464 PolarHBondContact O-N 3.5Å |
| 461 | N | 81.3 | Confident | 78.3 | Confident | 106 Ų | 106 | 81.5 Ų | 81.5 | 57% | 0.567 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.6 | -45.1 | -179.3 | -69.5 | -17.2 | 0 | 0 | 0 | 111.6 | S457 C459 C464 I465 | S457-N461 WeakPolarHBondContact O-CB 3.33Å; S457-N461 VanDerWaalsContact O-CG 3.24Å; S457-N461 PolarHBondContact O-N 3.26Å; S457-N461 PolarHBondContact O-ND2 2.98Å; C459-N461 PolarHBondContact O-N 3.46Å; N461-C464 WeakPolarHBondContact O-CB 3.44Å; N461-C464 PolarHBondContact O-N 2.91Å; N461-I465 WeakPolarHBondContact O-CG1 3.39Å; N461-I465 PolarHBondContact O-N 3.23Å; N461-I465 VanDerWaalsContact O-N 3.1Å |
| 462 | T | 83.2 | Confident | 78.9 | Confident | 73 Ų | 73 | 79.8 Ų | 79.8 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 178.9 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | T458 C459 I465 I466 | T458-T462 VanDerWaalsContact O-CB 3.28Å; T458-T462 WeakPolarHBondContact O-CB 3.16Å; T458-T462 PolarHBondContact O-N 3.39Å; T458-T462 PolarHBondContact O-OG1 2.9Å; C459-T462 PolarHBondContact O-N 3.24Å; T462-I465 PolarHBondContact O-N 2.97Å; T462-I466 HydrophobicContact CG2-CD1 4.13Å; T462-I466 WeakPolarHBondContact O-CG1 3.22Å; T462-I466 PolarHBondContact O-N 3.27Å |
| 463 | A | 77.2 | Confident | 79.6 | Confident | 13 Ų | 13 | 83.9 Ų | 83.9 | 11% | 0.107 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L453 C459 Q460 I465 I466 Y467 | L453-A463 HydrophobicContact CD1-CB 4.11Å; L453-A463 HydrophobicContact CD2-CB 3.41Å; L453-A463 VanDerWaalsContact CD2-CB 3.41Å; L453-A463 HydrophobicContact CG-CB 4.43Å; C459-A463 WeakPolarHBondContact O-CB 3.26Å; C459-A463 PolarHBondContact O-N 3.44Å; Q460-A463 PolarHBondContact O-N 3.5Å; A463-I465 VanDerWaalsContact C-N 3.31Å; A463-I465 PolarHBondContact O-N 2.76Å; A463-I466 PolarHBondContact O-N 3Å; A463-Y467 HydrophobicContact CB-CD2 4.12Å; A463-Y467 HydrophobicContact CB-CE2 4.01Å; A463-Y467 WeakPolarHBondContact O-CB 3.33Å; A463-Y467 WeakPolarHBondContact O-CD2 3.37Å; A463-Y467 PolarHBondContact O-N 2.98Å |
| 464 | C | 71.7 | Confident | 80.1 | Confident | 84 Ų | 84 | 86.9 Ų | 86.9 | 57% | 0.568 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 172 | -171.5 | 0 | 0 | 0 | 0 | 111.3 | Q460 N461 S468 | Q460-C464 VanDerWaalsContact O-CB 3.31Å; Q460-C464 WeakPolarHBondContact O-CB 3.28Å; Q460-C464 PolarHBondContact O-N 3.5Å; N461-C464 WeakPolarHBondContact O-CB 3.44Å; N461-C464 PolarHBondContact O-N 2.91Å; C464-S468 VanDerWaalsContact O-CB 3.27Å; C464-S468 WeakPolarHBondContact O-CB 3.47Å; C464-S468 PolarHBondContact O-N 2.94Å; C464-S468 PolarHBondContact O-OG 3.32Å |
| 465 | I | 73.3 | Confident | 80.6 | Confident | 110 Ų | 110 | 84.7 Ų | 84.7 | 56% | 0.564 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.7 | -46.9 | 173.4 | -65 | 163.9 | 0 | 0 | 0 | 110.7 | N461 T462 A463 S468 V469 | N461-I465 WeakPolarHBondContact O-CG1 3.39Å; N461-I465 PolarHBondContact O-N 3.23Å; N461-I465 VanDerWaalsContact O-N 3.1Å; T462-I465 PolarHBondContact O-N 2.97Å; A463-I465 VanDerWaalsContact C-N 3.31Å; A463-I465 PolarHBondContact O-N 2.76Å; I465-S468 PolarHBondContact O-OG 3.45Å; I465-S468 VanDerWaalsContact O-OG 3.08Å; I465-V469 WeakPolarHBondContact O-CB 3.27Å; I465-V469 VanDerWaalsContact O-CG2 3.28Å; I465-V469 WeakPolarHBondContact O-CG2 3.42Å; I465-V469 PolarHBondContact O-N 2.86Å; I465-V469 VanDerWaalsContact O-N 3.1Å |
| 466 | I | 75.7 | Confident | 81.1 | Confident | 102 Ų | 102 | 85.3 Ų | 85.3 | 52% | 0.523 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62 | -48.6 | 179.4 | -68.6 | 165.4 | 0 | 0 | 0 | 111.1 | T462 A463 E470 | T462-I466 HydrophobicContact CG2-CD1 4.13Å; T462-I466 WeakPolarHBondContact O-CG1 3.22Å; T462-I466 PolarHBondContact O-N 3.27Å; A463-I466 PolarHBondContact O-N 3Å; I466-E470 VanDerWaalsContact O-CB 3.25Å; I466-E470 WeakPolarHBondContact O-CB 3.43Å; I466-E470 PolarHBondContact O-N 2.81Å |
| 467 | Y | 74.1 | Confident | 81.5 | Confident | 135 Ų | 135 | 88.9 Ų | 88.9 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -74.1 | -31.1 | -176.3 | -69.2 | -51.9 | 0 | 0 | 0 | 113.6 | L453 A463 Y471 | L453-Y467 HydrophobicContact CD1-CE2 4.15Å; A463-Y467 HydrophobicContact CB-CD2 4.12Å; A463-Y467 HydrophobicContact CB-CE2 4.01Å; A463-Y467 WeakPolarHBondContact O-CB 3.33Å; A463-Y467 WeakPolarHBondContact O-CD2 3.37Å; A463-Y467 PolarHBondContact O-N 2.98Å; Y467-Y471 WeakPolarHBondContact O-CB 3.44Å; Y467-Y471 PolarHBondContact O-N 2.9Å |
| 468 | S | 76.5 | Confident | 81.7 | Confident | 58 Ų | 58 | 87.3 Ų | 87.3 | 41% | 0.406 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.6 | -46.1 | 172 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | C464 I465 E470 Y471 D472 | C464-S468 VanDerWaalsContact O-CB 3.27Å; C464-S468 WeakPolarHBondContact O-CB 3.47Å; C464-S468 PolarHBondContact O-N 2.94Å; C464-S468 PolarHBondContact O-OG 3.32Å; I465-S468 PolarHBondContact O-OG 3.45Å; I465-S468 VanDerWaalsContact O-OG 3.08Å; S468-E470 PolarHBondContact O-N 3.09Å; S468-Y471 WeakPolarHBondContact O-CB 3.35Å; S468-Y471 PolarHBondContact O-N 2.7Å; S468-D472 PolarHBondContact O-N 2.89Å |
| 469 | V | 83.3 | Confident | 82 | Confident | 73 Ų | 73 | 91.3 Ų | 91.3 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -44 | 174.3 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | I465 Y471 D472 F473 | I465-V469 WeakPolarHBondContact O-CB 3.27Å; I465-V469 VanDerWaalsContact O-CG2 3.28Å; I465-V469 WeakPolarHBondContact O-CG2 3.42Å; I465-V469 PolarHBondContact O-N 2.86Å; I465-V469 VanDerWaalsContact O-N 3.1Å; V469-Y471 VanDerWaalsContact C-N 3.33Å; V469-Y471 PolarHBondContact O-N 2.92Å; V469-D472 PolarHBondContact O-N 3.32Å; V469-F473 HydrophobicContact CG1-CD2 3.7Å; V469-F473 HydrophobicContact CG1-CE2 3.73Å; V469-F473 VanDerWaalsContact O-CD2 3.3Å; V469-F473 WeakPolarHBondContact O-CD2 3.33Å; V469-F473 PolarHBondContact O-N 3.48Å |
| 470 | E | 82.2 | Confident | 82.4 | Confident | 78 Ų | 78 | 96.3 Ų | 96.3 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66 | -34.1 | 177.3 | -159.9 | -162.4 | -172.9 | 0 | 0 | 112.5 | I466 S468 R474 | I466-E470 VanDerWaalsContact O-CB 3.25Å; I466-E470 WeakPolarHBondContact O-CB 3.43Å; I466-E470 PolarHBondContact O-N 2.81Å; S468-E470 PolarHBondContact O-N 3.09Å; E470-R474 VanDerWaalsContact CD-CZ 3.4Å; E470-R474 PolarHBondContact O-N 3.08Å; E470-R474 IonicContact OE1-CZ 3.87Å; E470-R474 IonicContact OE1-NH1 3.39Å; E470-R474 PolarHBondContact OE1-NH1 2.97Å; E470-R474 IonicContact OE1-NH2 2.66Å; E470-R474 IonicContact OE2-CZ 2.71Å; E470-R474 IonicContact OE2-NH1 2.76Å; E470-R474 PolarHBondContact OE2-NH1 3.36Å; E470-R474 IonicContact OE2-NH2 3.62Å; E470-R474 PolarHBondContact OE2-NH2 2.9Å |
| 471 | Y | 79.4 | Confident | 82.6 | Confident | 134 Ų | 134 | 98.1 Ų | 98.1 | 53% | 0.525 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -49.1 | 172.4 | -179.6 | -93.9 | 0 | 0 | 0 | 111.2 | Y467 S468 V469 F473 R474 Q475 | Y467-Y471 WeakPolarHBondContact O-CB 3.44Å; Y467-Y471 PolarHBondContact O-N 2.9Å; S468-Y471 WeakPolarHBondContact O-CB 3.35Å; S468-Y471 PolarHBondContact O-N 2.7Å; V469-Y471 VanDerWaalsContact C-N 3.33Å; V469-Y471 PolarHBondContact O-N 2.92Å; Y471-F473 VanDerWaalsContact C-N 3.34Å; Y471-F473 PolarHBondContact O-N 3.35Å; Y471-R474 PolarHBondContact O-N 3.1Å; Y471-R474 VanDerWaalsContact O-N 3.12Å; Y471-Q475 HydrophobicContact CD1-CG 3.92Å; Y471-Q475 HydrophobicContact CE1-CG 3.59Å; Y471-Q475 HydrophobicContact CE2-CG 4.44Å; Y471-Q475 HydrophobicContact CG-CG 4.47Å; Y471-Q475 VanDerWaalsContact O-CG 3.28Å; Y471-Q475 WeakPolarHBondContact O-CG 3.49Å; Y471-Q475 PolarHBondContact O-N 3.23Å; Y471-Q475 PolarHBondContact OH-NE2 2.96Å; Y471-Q475 VanDerWaalsContact OH-NE2 3.1Å |
| 472 | D | 85.4 | Confident | 82.8 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 178.3 | -83.3 | -8.3 | 0 | 0 | 0 | 112.3 | S468 V469 Q475 Q476 | S468-D472 PolarHBondContact O-N 2.89Å; V469-D472 PolarHBondContact O-N 3.32Å; D472-Q475 PolarHBondContact O-N 3.1Å; D472-Q476 WeakPolarHBondContact O-CB 3.46Å; D472-Q476 VanDerWaalsContact O-CG 3.28Å; D472-Q476 WeakPolarHBondContact O-CG 3.46Å; D472-Q476 PolarHBondContact O-N 2.97Å |
| 473 | F | 88.7 | Confident | 83.1 | Confident | 108 Ų | 108 | 99 Ų | 99 | 47% | 0.474 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 170.6 | -90.1 | -69.8 | 0 | 0 | 0 | 111.8 | V469 Y471 Q475 Q476 E477 | V469-F473 HydrophobicContact CG1-CD2 3.7Å; V469-F473 HydrophobicContact CG1-CE2 3.73Å; V469-F473 VanDerWaalsContact O-CD2 3.3Å; V469-F473 WeakPolarHBondContact O-CD2 3.33Å; V469-F473 PolarHBondContact O-N 3.48Å; Y471-F473 VanDerWaalsContact C-N 3.34Å; Y471-F473 PolarHBondContact O-N 3.35Å; F473-Q475 VanDerWaalsContact C-N 3.29Å; F473-Q475 PolarHBondContact O-N 3.36Å; F473-Q476 PolarHBondContact O-N 2.93Å; F473-E477 WeakPolarHBondContact O-CB 3.41Å; F473-E477 WeakPolarHBondContact O-CG 3.37Å; F473-E477 PolarHBondContact O-N 2.6Å |
| 474 | R | 87.1 | Confident | 83.4 | Confident | 124 Ų | 124 | 102.2 Ų | 102.2 | 47% | 0.468 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -35.7 | 174.7 | -82.2 | -168.9 | -81.9 | -97.4 | 1 | 112.9 | E470 Y471 G478 | E470-R474 VanDerWaalsContact CD-CZ 3.4Å; E470-R474 PolarHBondContact O-N 3.08Å; E470-R474 IonicContact OE1-CZ 3.87Å; E470-R474 IonicContact OE1-NH1 3.39Å; E470-R474 PolarHBondContact OE1-NH1 2.97Å; E470-R474 IonicContact OE1-NH2 2.66Å; E470-R474 IonicContact OE2-CZ 2.71Å; E470-R474 IonicContact OE2-NH1 2.76Å; E470-R474 PolarHBondContact OE2-NH1 3.36Å; E470-R474 IonicContact OE2-NH2 3.62Å; E470-R474 PolarHBondContact OE2-NH2 2.9Å; Y471-R474 PolarHBondContact O-N 3.1Å; Y471-R474 VanDerWaalsContact O-N 3.12Å; R474-G478 PolarHBondContact O-N 2.89Å |
| 475 | Q | 85.1 | Confident | 84.1 | Confident | 85 Ų | 85 | 104.4 Ų | 104.4 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.5 | -36.5 | 176.1 | -67.2 | -74.5 | 65.2 | 0 | 0 | 112.1 | Y471 D472 F473 R479 | Y471-Q475 HydrophobicContact CD1-CG 3.92Å; Y471-Q475 HydrophobicContact CE1-CG 3.59Å; Y471-Q475 HydrophobicContact CE2-CG 4.44Å; Y471-Q475 HydrophobicContact CG-CG 4.47Å; Y471-Q475 VanDerWaalsContact O-CG 3.28Å; Y471-Q475 WeakPolarHBondContact O-CG 3.49Å; Y471-Q475 PolarHBondContact O-N 3.23Å; Y471-Q475 PolarHBondContact OH-NE2 2.96Å; Y471-Q475 VanDerWaalsContact OH-NE2 3.1Å; D472-Q475 PolarHBondContact O-N 3.1Å; F473-Q475 VanDerWaalsContact C-N 3.29Å; F473-Q475 PolarHBondContact O-N 3.36Å; Q475-R479 VanDerWaalsContact O-CG 3.28Å; Q475-R479 WeakPolarHBondContact O-CG 3.24Å; Q475-R479 PolarHBondContact O-N 2.96Å; Q475-R479 VanDerWaalsContact O-N 3.14Å |
| 476 | Q | 87.9 | Confident | 84.6 | Confident | 115 Ų | 115 | 106 Ų | 106 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -47 | 172 | -71.3 | 173.7 | 51.7 | 0 | 0 | 111.4 | D472 F473 G478 R479 F480 | D472-Q476 WeakPolarHBondContact O-CB 3.46Å; D472-Q476 VanDerWaalsContact O-CG 3.28Å; D472-Q476 WeakPolarHBondContact O-CG 3.46Å; D472-Q476 PolarHBondContact O-N 2.97Å; F473-Q476 PolarHBondContact O-N 2.93Å; Q476-G478 VanDerWaalsContact C-N 3.32Å; Q476-G478 PolarHBondContact O-N 3.03Å; Q476-R479 PolarHBondContact O-N 2.63Å; Q476-F480 WeakPolarHBondContact O-CB 3.48Å; Q476-F480 PolarHBondContact O-N 2.96Å |
| 477 | E | 88.1 | Confident | 84.9 | Confident | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 174.6 | -75.5 | -171.1 | 155 | 0 | 0 | 111.9 | F473 F480 H481 | F473-E477 WeakPolarHBondContact O-CB 3.41Å; F473-E477 WeakPolarHBondContact O-CG 3.37Å; F473-E477 PolarHBondContact O-N 2.6Å; E477-F480 PolarHBondContact O-N 3.43Å; E477-H481 WeakPolarHBondContact O-CB 3.26Å; E477-H481 PolarHBondContact O-N 3.03Å; E477-H481 PolarHBondContact O-ND1 2.7Å |
| 478 | G | 87.8 | Confident | 85 | Confident | 41 Ų | 41 | 103.7 Ų | 103.7 | 42% | 0.423 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R474 Q476 Q482 | R474-G478 PolarHBondContact O-N 2.89Å; Q476-G478 VanDerWaalsContact C-N 3.32Å; Q476-G478 PolarHBondContact O-N 3.03Å; G478-Q482 PolarHBondContact O-N 3.28Å; G478-Q482 VanDerWaalsContact O-N 3.07Å |
| 479 | R | 89.7 | Confident | 84.5 | Confident | 180 Ų | 180 | 106 Ų | 106 | 68% | 0.679 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 173.4 | -70 | 168.9 | -171.5 | -118.9 | 4.5 | 111.4 | Q475 Q476 Q482 I483 | Q475-R479 VanDerWaalsContact O-CG 3.28Å; Q475-R479 WeakPolarHBondContact O-CG 3.24Å; Q475-R479 PolarHBondContact O-N 2.96Å; Q475-R479 VanDerWaalsContact O-N 3.14Å; Q476-R479 PolarHBondContact O-N 2.63Å; R479-Q482 WeakPolarHBondContact O-CB 3.38Å; R479-Q482 PolarHBondContact O-N 3.18Å; R479-I483 WeakPolarHBondContact O-CG1 3.37Å; R479-I483 PolarHBondContact O-N 2.96Å |
| 480 | F | 89.1 | Confident | 83.4 | Confident | 122 Ų | 122 | 105.8 Ų | 105.8 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 178.6 | -175.4 | -113.9 | 0 | 0 | 0 | 112.5 | Q476 E477 Q482 I483 L484 | Q476-F480 WeakPolarHBondContact O-CB 3.48Å; Q476-F480 PolarHBondContact O-N 2.96Å; E477-F480 PolarHBondContact O-N 3.43Å; F480-Q482 VanDerWaalsContact C-N 3.27Å; F480-Q482 PolarHBondContact O-N 3.34Å; F480-I483 WeakPolarHBondContact O-CB 3.18Å; F480-I483 PolarHBondContact O-N 2.89Å; F480-L484 HydrophobicContact CD1-CD1 3.94Å; F480-L484 HydrophobicContact CD1-CG 4.38Å; F480-L484 HydrophobicContact CE1-CD1 3.6Å; F480-L484 HydrophobicContact CE1-CD2 4.44Å; F480-L484 HydrophobicContact CE1-CG 4.08Å; F480-L484 HydrophobicContact CZ-CD1 4.12Å; F480-L484 HydrophobicContact CZ-CD2 4.13Å; F480-L484 HydrophobicContact CZ-CG 4.16Å; F480-L484 PolarHBondContact O-N 3.01Å |
| 481 | H | 86.9 | Confident | 82.1 | Confident | 117 Ų | 117 | 110.4 Ų | 110.4 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.6 | -36.9 | 171.7 | -79.7 | 87 | 0 | 0 | 0 | 112.1 | E477 I483 L484 K485 | E477-H481 WeakPolarHBondContact O-CB 3.26Å; E477-H481 PolarHBondContact O-N 3.03Å; E477-H481 PolarHBondContact O-ND1 2.7Å; H481-I483 VanDerWaalsContact C-N 3.31Å; H481-I483 PolarHBondContact O-N 2.85Å; H481-L484 PolarHBondContact O-N 3.43Å; H481-K485 WeakPolarHBondContact O-CB 3.4Å; H481-K485 PolarHBondContact O-N 2.87Å |
| 482 | Q | 86.7 | Confident | 80.9 | Confident | 110 Ų | 110 | 109.9 Ų | 109.9 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.3 | -29.2 | 174.9 | -153.2 | -164.5 | 56.5 | 0 | 0 | 112.5 | G478 R479 F480 R486 | G478-Q482 PolarHBondContact O-N 3.28Å; G478-Q482 VanDerWaalsContact O-N 3.07Å; R479-Q482 WeakPolarHBondContact O-CB 3.38Å; R479-Q482 PolarHBondContact O-N 3.18Å; F480-Q482 VanDerWaalsContact C-N 3.27Å; F480-Q482 PolarHBondContact O-N 3.34Å; Q482-R486 WeakPolarHBondContact O-CG 3.47Å; Q482-R486 PolarHBondContact O-N 3.45Å; Q482-R486 PolarHBondContact O-NH1 2.7Å; Q482-R486 VanDerWaalsContact OE1-CZ 3.25Å |
| 483 | I | 88.6 | Confident | 79.1 | Confident | 89 Ų | 89 | 110 Ų | 110 | 46% | 0.456 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73.8 | -49.2 | 172.7 | -67 | 164.4 | 0 | 0 | 0 | 110.3 | R479 F480 H481 K485 R486 L487 | R479-I483 WeakPolarHBondContact O-CG1 3.37Å; R479-I483 PolarHBondContact O-N 2.96Å; F480-I483 WeakPolarHBondContact O-CB 3.18Å; F480-I483 PolarHBondContact O-N 2.89Å; H481-I483 VanDerWaalsContact C-N 3.31Å; H481-I483 PolarHBondContact O-N 2.85Å; I483-K485 VanDerWaalsContact C-N 3.28Å; I483-K485 PolarHBondContact O-N 2.83Å; I483-R486 WeakPolarHBondContact O-CB 3.49Å; I483-R486 PolarHBondContact O-N 2.99Å; I483-L487 HydrophobicContact CG2-CD1 4.19Å; I483-L487 PolarHBondContact O-N 3.11Å |
| 484 | L | 85 | Confident | 77.1 | Confident | 80 Ų | 80 | 110.3 Ų | 110.3 | 42% | 0.419 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -54.5 | -44.2 | 175.7 | -70.8 | 177 | 0 | 0 | 0 | 111.9 | F480 H481 R486 L487 D488 | F480-L484 HydrophobicContact CD1-CD1 3.94Å; F480-L484 HydrophobicContact CD1-CG 4.38Å; F480-L484 HydrophobicContact CE1-CD1 3.6Å; F480-L484 HydrophobicContact CE1-CD2 4.44Å; F480-L484 HydrophobicContact CE1-CG 4.08Å; F480-L484 HydrophobicContact CZ-CD1 4.12Å; F480-L484 HydrophobicContact CZ-CD2 4.13Å; F480-L484 HydrophobicContact CZ-CG 4.16Å; F480-L484 PolarHBondContact O-N 3.01Å; H481-L484 PolarHBondContact O-N 3.43Å; L484-R486 VanDerWaalsContact C-N 3.33Å; L484-R486 PolarHBondContact O-N 3.1Å; L484-L487 PolarHBondContact O-N 3.13Å; L484-L487 VanDerWaalsContact O-N 3.17Å; L484-D488 PolarHBondContact O-N 3.01Å |
| 485 | K | 84.9 | Confident | 75.4 | Confident | 130 Ų | 130 | 109.1 Ų | 109.1 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.7 | -33.2 | 176.8 | -174.4 | 174.3 | 178.5 | -178 | 0 | 113.2 | H481 I483 H489 | H481-K485 WeakPolarHBondContact O-CB 3.4Å; H481-K485 PolarHBondContact O-N 2.87Å; I483-K485 VanDerWaalsContact C-N 3.28Å; I483-K485 PolarHBondContact O-N 2.83Å; K485-H489 WeakPolarHBondContact CE-NE2 3.15Å; K485-H489 PolarHBondContact O-CD2 3.3Å; K485-H489 PolarHBondContact O-N 3.39Å; K485-H489 VanDerWaalsContact O-N 3.17Å |
| 486 | R | 85.3 | Confident | 73.1 | Confident | 143 Ų | 143 | 111.9 Ų | 111.9 | 54% | 0.54 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.9 | -37.1 | 172.9 | -75.8 | 179.7 | -173.9 | 98.5 | -6.4 | 111.7 | Q482 I483 L484 A490 | Q482-R486 WeakPolarHBondContact O-CG 3.47Å; Q482-R486 PolarHBondContact O-N 3.45Å; Q482-R486 PolarHBondContact O-NH1 2.7Å; Q482-R486 VanDerWaalsContact OE1-CZ 3.25Å; I483-R486 WeakPolarHBondContact O-CB 3.49Å; I483-R486 PolarHBondContact O-N 2.99Å; L484-R486 VanDerWaalsContact C-N 3.33Å; L484-R486 PolarHBondContact O-N 3.1Å; R486-A490 WeakPolarHBondContact O-CB 3.42Å; R486-A490 PolarHBondContact O-N 3.28Å |
| 487 | L | 81.1 | Confident | 70.9 | Confident | 106 Ų | 106 | 111.2 Ų | 111.2 | 56% | 0.555 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.8 | -45.1 | 178.2 | -65.3 | 170.7 | 0 | 0 | 0 | 111.8 | I483 L484 H489 A490 E491 | I483-L487 HydrophobicContact CG2-CD1 4.19Å; I483-L487 PolarHBondContact O-N 3.11Å; L484-L487 PolarHBondContact O-N 3.13Å; L484-L487 VanDerWaalsContact O-N 3.17Å; L487-H489 VanDerWaalsContact C-N 3.3Å; L487-H489 PolarHBondContact O-N 3.36Å; L487-A490 WeakPolarHBondContact O-CB 3.28Å; L487-A490 PolarHBondContact O-N 3.23Å; L487-E491 PolarHBondContact O-N 3.36Å |
| 488 | D | 75.2 | Confident | 68.4 | Low | 83 Ų | 83 | 111.6 Ų | 111.6 | 44% | 0.444 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.1 | -39.9 | 173.7 | 177.7 | 45.7 | 0 | 0 | 0 | 112.1 | L484 Q492 | L484-D488 PolarHBondContact O-N 3.01Å; D488-Q492 VanDerWaalsContact CG-NE2 3.29Å; D488-Q492 VanDerWaalsContact O-CG 3.31Å; D488-Q492 WeakPolarHBondContact O-CG 3.44Å; D488-Q492 PolarHBondContact O-N 3.24Å; D488-Q492 PolarHBondContact O-NE2 3.4Å; D488-Q492 PolarHBondContact OD1-NE2 3.13Å; D488-Q492 PolarHBondContact OD2-NE2 3.09Å |
| 489 | H | 67.3 | Low | 66.6 | Low | 105 Ų | 105 | 114.6 Ų | 114.6 | 49% | 0.486 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.4 | -26.7 | 173.3 | -69.6 | -33.2 | 0 | 0 | 0 | 114.2 | K485 L487 | K485-H489 WeakPolarHBondContact CE-NE2 3.15Å; K485-H489 PolarHBondContact O-CD2 3.3Å; K485-H489 PolarHBondContact O-N 3.39Å; K485-H489 VanDerWaalsContact O-N 3.17Å; L487-H489 VanDerWaalsContact C-N 3.3Å; L487-H489 PolarHBondContact O-N 3.36Å |
| 490 | A | 60.9 | Low | 64.2 | Low | 69 Ų | 69 | 114.2 Ų | 114.2 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.4 | -34.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R486 L487 Q492 | R486-A490 WeakPolarHBondContact O-CB 3.42Å; R486-A490 PolarHBondContact O-N 3.28Å; L487-A490 WeakPolarHBondContact O-CB 3.28Å; L487-A490 PolarHBondContact O-N 3.23Å; A490-Q492 VanDerWaalsContact C-N 3.29Å; A490-Q492 PolarHBondContact O-N 2.82Å |
| 491 | E | 54.1 | Low | 61.5 | Low | 176 Ų | 176 | 115.7 Ų | 115.7 | 82% | 0.822 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.2 | -23.4 | 176.8 | -164 | 171.2 | 177.1 | 0 | 0 | 112.6 | L487 S493 | L487-E491 PolarHBondContact O-N 3.36Å; E491-S493 VanDerWaalsContact C-N 3.28Å; E491-S493 PolarHBondContact O-N 2.88Å |
| 492 | Q | 53.1 | Low | 58.9 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 57% | 0.57 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 16.6 | 179.8 | -69.2 | 174.9 | 40.8 | 0 | 0 | 114.7 | D488 A490 P494 | D488-Q492 VanDerWaalsContact CG-NE2 3.29Å; D488-Q492 VanDerWaalsContact O-CG 3.31Å; D488-Q492 WeakPolarHBondContact O-CG 3.44Å; D488-Q492 PolarHBondContact O-N 3.24Å; D488-Q492 PolarHBondContact O-NE2 3.4Å; D488-Q492 PolarHBondContact OD1-NE2 3.13Å; D488-Q492 PolarHBondContact OD2-NE2 3.09Å; A490-Q492 VanDerWaalsContact C-N 3.29Å; A490-Q492 PolarHBondContact O-N 2.82Å; Q492-P494 VanDerWaalsContact C-CD 3.44Å; Q492-P494 WeakPolarHBondContact O-CD 3.38Å |
| 493 | S | 47.5 | Very low | 57.1 | Low | 96 Ų | 96 | 117.9 Ų | 117.9 | 67% | 0.671 | 67% | 0.67 | S | S | * | * | | | trans | -109.6 | 76.5 | -179.5 | 178.5 | 0 | 0 | 0 | 0 | 113.6 | E491 A495 | E491-S493 VanDerWaalsContact C-N 3.28Å; E491-S493 PolarHBondContact O-N 2.88Å; S493-A495 PolarHBondContact O-N 3.27Å |
| 494 | P | 47.2 | Very low | 54.2 | Low | 114 Ų | 114 | 119.8 Ų | 119.8 | 74% | 0.74 | 69% | 0.691 | S | S | * | * | | | trans | -72.5 | 127.7 | 169.3 | 31.2 | -32.8 | 0 | 0 | 0 | 110.6 | Q492 | Q492-P494 VanDerWaalsContact C-CD 3.44Å; Q492-P494 WeakPolarHBondContact O-CD 3.38Å |
| 495 | A | 51.2 | Low | 51.7 | Low | 98 Ų | 98 | 123.5 Ų | 123.5 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | | | trans | -70.1 | 142 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | S493 | S493-A495 PolarHBondContact O-N 3.27Š|
| 496 | T | 37.9 | Very low | 50.4 | Low | 143 Ų | 143 | 122.3 Ų | 122.3 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | | | trans | -147.9 | 120.1 | 159.4 | -64.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 497 | A | 41.9 | Very low | 48.5 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | | | trans | -101.3 | 146.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 498 | S | 35.5 | Very low | 46.2 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | trans | -157.8 | 136.2 | 152.7 | -165.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 499 | P | 48.6 | Very low | 44.6 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | trans | -103.7 | 167.3 | -172.6 | 40.2 | -36.1 | 0 | 0 | 0 | 114.6 | | |
| 500 | Q | 40.1 | Very low | 42.9 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 62.3 | 118.4 | 163 | -65.1 | 175.6 | -8.9 | 0 | 0 | 118.7 | | |
| 501 | N | 31.6 | Very low | 41.7 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | | -168.1 | 176.7 | 96 | -103.2 | -75.8 | 0 | 0 | 0 | 112.8 | | |
| 502 | L | 33.6 | Very low | 40.7 | Very low | 161 Ų | 161 | 130 Ų | 130 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | | | trans | -78.3 | 165 | -168.5 | -98.6 | 74.9 | 0 | 0 | 0 | 115.4 | | |
| 503 | P | 47.7 | Very low | 39.7 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -89.5 | 156.7 | -176.6 | 36.5 | -36.1 | 0 | 0 | 0 | 114.5 | | |
| 504 | S | 28.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | | | trans | -161.4 | 166 | 158.7 | -81.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 505 | D | 32.4 | Very low | 39.1 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | -101.2 | -158.6 | -158.7 | -139.6 | -8.1 | 0 | 0 | 0 | 112.7 | | |
| 506 | P | 57.9 | Low | 38.8 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | | | trans | -107.5 | -165.7 | -149 | 36.5 | -14.2 | 0 | 0 | 0 | 112 | | |
| 507 | P | 45.2 | Very low | 38.7 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | | | cis | -143.3 | -178.1 | 9.2 | 46.8 | -27.4 | 0 | 0 | 0 | 118.2 | | |
| 508 | I | 32.2 | Very low | 38.4 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | 16.9 | 135.6 | 136 | -62.3 | 169.8 | 0 | 0 | 0 | 117.2 | | |
| 509 | P | 41.9 | Very low | 38.9 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | cis | -146.8 | 177.4 | 33.7 | 27 | -0.5 | 0 | 0 | 0 | 120 | | |
| 510 | E | 31.4 | Very low | 38.9 | Very low | 142 Ų | 142 | 156.3 Ų | 156.3 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | | | trans | 78.6 | 131.2 | 136.2 | -88.4 | -167.3 | 154.7 | 0 | 0 | 126.9 | | |
| 511 | K | 34.9 | Very low | 39.1 | Very low | 159 Ų | 159 | 156.4 Ų | 156.4 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | 91.4 | 134.7 | 131.4 | -83.8 | 169.2 | -177.4 | 144.8 | 0 | 122.8 | | |
| 512 | K | 33.8 | Very low | 39.6 | Very low | 179 Ų | 179 | 158.2 Ų | 158.2 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | | | trans | 62.1 | 109.4 | 163.3 | -68.5 | -176.7 | 173.4 | 179 | 0 | 117.2 | | |
| 513 | E | 32.8 | Very low | 40.4 | Very low | 145 Ų | 145 | 159.9 Ų | 159.9 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | | 72.7 | 105.5 | 61.6 | -173.2 | -176.7 | -145.5 | 0 | 0 | 113.3 | | |
| 514 | L | 41.9 | Very low | 40.3 | Very low | 149 Ų | 149 | 162.5 Ų | 162.5 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -150.4 | 109 | 143.7 | -120.9 | 167.5 | 0 | 0 | 0 | 110.4 | | |
| 515 | R | 39.8 | Very low | 41 | Very low | 204 Ų | 204 | 161.2 Ų | 161.2 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -69.1 | 146.9 | 174.5 | -59 | -178.7 | -177.6 | -155.8 | -0.5 | 110.6 | | |
| 516 | R | 44.5 | Very low | 41.2 | Very low | 235 Ų | 235 | 160.4 Ų | 160.4 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | | | trans | -152.6 | 158.1 | 133.9 | -100.1 | 134 | -159.8 | 175.6 | 7.5 | 111.3 | | |
| 517 | K | 35.4 | Very low | 40.6 | Very low | 190 Ų | 190 | 166.7 Ų | 166.7 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | | | trans | -94.8 | 177.3 | -165.5 | -71.4 | 179.8 | 174 | 176.7 | 0 | 112.5 | | |
| 518 | T | 36 | Very low | 40.2 | Very low | 134 Ų | 134 | 171.6 Ų | 171.6 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | 78.5 | 146.6 | 156.3 | 5.1 | 0 | 0 | 0 | 0 | 114 | | |
| 519 | K | 45.6 | Very low | 40.5 | Very low | 182 Ų | 182 | 175.4 Ų | 175.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | cis | -143.3 | 137.9 | 15.1 | -170.7 | 171.3 | -176.2 | 175.2 | 0 | 111.3 | M521 | K519-M521 PolarHBondContact O-N 3.44Š|
| 520 | K | 50.3 | Low | 40.4 | Very low | 210 Ų | 210 | 178.9 Ų | 178.9 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | | | trans | -63.5 | 99.1 | 174 | -76 | -174.4 | 176.6 | -179 | 0 | 109.9 | K522 | K520-K522 PolarHBondContact O-N 3.11Š|
| 521 | M | 42.7 | Very low | 40.9 | Very low | 174 Ų | 174 | 180.8 Ų | 180.8 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | -76.9 | 104.5 | 167 | -69.6 | -151.7 | 75.2 | 0 | 0 | 109.4 | K519 K523 | K519-M521 PolarHBondContact O-N 3.44Å; M521-K523 PolarHBondContact O-N 3.09Å |
| 522 | K | 43.3 | Very low | 41.2 | Very low | 191 Ų | 191 | 182 Ų | 182 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | | | trans | -65.7 | 91.1 | 179.3 | -173 | 175.9 | -176.6 | 176.6 | 0 | 109.4 | K520 K524 | K520-K522 PolarHBondContact O-N 3.11Å; K522-K524 PolarHBondContact O-N 3.42Å |
| 523 | K | 51 | Low | 41.7 | Very low | 196 Ų | 196 | 182.2 Ų | 182.2 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | | | trans | -55 | 105.9 | 172.7 | -74.8 | -171.6 | 176.6 | -176.6 | 0 | 108.6 | M521 C525 | M521-K523 PolarHBondContact O-N 3.09Å; K523-C525 PolarHBondContact O-N 3.06Å |
| 524 | K | 43.8 | Very low | 42.2 | Very low | 167 Ų | 167 | 184.5 Ų | 184.5 | 73% | 0.726 | 83% | 0.827 | S | S | * | * | | | trans | -78.2 | 103.3 | 173.3 | -69.1 | -174.4 | 179.1 | -176.8 | 0 | 107.7 | K522 F526 | K522-K524 PolarHBondContact O-N 3.42Å; K524-F526 HydrophobicContact CB-CD2 4.35Å; K524-F526 HydrophobicContact CB-CE2 4.29Å; K524-F526 HydrophobicContact CD-CE2 4.41Å; K524-F526 PolarHBondContact O-N 3.32Å |
| 525 | C | 45.1 | Very low | 42.2 | Very low | 103 Ų | 103 | 186.9 Ų | 186.9 | 70% | 0.696 | 83% | 0.831 | S | S | * | * | | | trans | -69.9 | 94.6 | 169.9 | -59.8 | 0 | 0 | 0 | 0 | 108.8 | K523 W527 | K523-C525 PolarHBondContact O-N 3.06Å; C525-W527 PolarHBondContact O-N 3.19Å |
| 526 | F | 35.6 | Very low | 42.4 | Very low | 139 Ų | 139 | 185.6 Ų | 185.6 | 61% | 0.61 | 84% | 0.835 | S | S | * | * | | | trans | -73.6 | 101.7 | 168.2 | -85.5 | -77.7 | 0 | 0 | 0 | 109.1 | K524 W528 | K524-F526 HydrophobicContact CB-CD2 4.35Å; K524-F526 HydrophobicContact CB-CE2 4.29Å; K524-F526 HydrophobicContact CD-CE2 4.41Å; K524-F526 PolarHBondContact O-N 3.32Å; F526-W528 AromaticContact CD1-CE2 3.73Å; F526-W528 AromaticContact CD1-CH2 3.98Å; F526-W528 HydrophobicContact CD1-CH2 3.98Å; F526-W528 AromaticContact CD1-CZ2 3.31Å; F526-W528 HydrophobicContact CD1-CZ2 3.31Å; F526-W528 HydrophobicContact CE1-CH2 4.04Å; F526-W528 AromaticContact CE1-CZ2 3.65Å; F526-W528 HydrophobicContact CE1-CZ2 3.65Å; F526-W528 HydrophobicContact CG-CZ2 4.16Å |
| 527 | W | 46 | Very low | 42.2 | Very low | 238 Ų | 238 | 181.8 Ų | 181.8 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | | | trans | -82.9 | 131.5 | 161 | -72.5 | 72.1 | 0 | 0 | 0 | 108.1 | C525 | C525-W527 PolarHBondContact O-N 3.19Š|
| 528 | W | 35.6 | Very low | 42.8 | Very low | 209 Ų | 209 | 181.2 Ų | 181.2 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | | | trans | -129.1 | 150.7 | 167.6 | -53 | 105.6 | 0 | 0 | 0 | 107.8 | F526 | F526-W528 AromaticContact CD1-CE2 3.73Å; F526-W528 AromaticContact CD1-CH2 3.98Å; F526-W528 HydrophobicContact CD1-CH2 3.98Å; F526-W528 AromaticContact CD1-CZ2 3.31Å; F526-W528 HydrophobicContact CD1-CZ2 3.31Å; F526-W528 HydrophobicContact CE1-CH2 4.04Å; F526-W528 AromaticContact CE1-CZ2 3.65Å; F526-W528 HydrophobicContact CE1-CZ2 3.65Å; F526-W528 HydrophobicContact CG-CZ2 4.16Å |
| 529 | I | 38.8 | Very low | 43.4 | Very low | 231 Ų | 231 | 185.5 Ų | 185.5 | 100% | 1.185 | 83% | 0.832 | S | S | * | * | | | trans | -93 | 0 | 176.4 | -66.6 | 162.8 | 0 | 0 | 0 | 109.1 | | |