| 1 | M | 53.1 | Low | 58.4 | Low | 228 Ų | 228 | 175.9 Ų | 175.9 | 100% | 1.123 | 86% | 0.859 | S | S | * | * | | | | 0 | 100.9 | 0 | -71.3 | -61.5 | -166.4 | 0 | 0 | 106.8 | T3 | M1-T3 PolarHBondContact O-N 2.81Š|
| 2 | D | 54.6 | Low | 58.4 | Low | 153 Ų | 153 | 181.9 Ų | 181.9 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | | | trans | -85 | 102.2 | -175.5 | -68.7 | -29 | 0 | 0 | 0 | 110 | Q4 | D2-Q4 PolarHBondContact O-N 2.99Š|
| 3 | T | 58.4 | Low | 58.6 | Low | 136 Ų | 136 | 186.4 Ų | 186.4 | 83% | 0.834 | 87% | 0.868 | S | S | * | * | | | trans | -66 | 98.2 | 177.2 | -46.5 | 0 | 0 | 0 | 0 | 109.1 | M1 | M1-T3 PolarHBondContact O-N 2.81Š|
| 4 | Q | 68.2 | Low | 58.5 | Low | 161 Ų | 161 | 179.9 Ų | 179.9 | 75% | 0.752 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.8 | 174 | -74.7 | -74.7 | -42.2 | 0 | 0 | 110 | D2 S6 | D2-Q4 PolarHBondContact O-N 2.99Å; Q4-S6 PolarHBondContact O-N 3.15Å; Q4-S6 VanDerWaalsContact O-N 3.13Å |
| 5 | P | 61.4 | Low | 58.7 | Low | 116 Ų | 116 | 183.6 Ų | 183.6 | 75% | 0.753 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 116.9 | -179.7 | 23.6 | -31.1 | 0 | 0 | 0 | 110.3 | R7 | P5-R7 PolarHBondContact O-N 2.69Š|
| 6 | S | 65.3 | Low | 58.3 | Low | 113 Ų | 113 | 187 Ų | 187 | 79% | 0.79 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 123.2 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 110.8 | Q4 | Q4-S6 PolarHBondContact O-N 3.15Å; Q4-S6 VanDerWaalsContact O-N 3.13Å |
| 7 | R | 57.5 | Low | 57.7 | Low | 235 Ų | 235 | 182.2 Ų | 182.2 | 89% | 0.887 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 138.7 | 177.2 | -87.8 | -179.9 | 173.5 | 173.4 | -1.3 | 110.8 | P5 H9 | P5-R7 PolarHBondContact O-N 2.69Å; R7-H9 PolarHBondContact O-N 3.04Å |
| 8 | P | 58.9 | Low | 57.4 | Low | 123 Ų | 123 | 185.3 Ų | 185.3 | 80% | 0.799 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 124.8 | -177.6 | -8.8 | 16.3 | 0 | 0 | 0 | 110.8 | R10 | P8-R10 PolarHBondContact O-N 3.18Å; P8-R10 VanDerWaalsContact O-N 3.09Å |
| 9 | H | 54.8 | Low | 57.1 | Low | 188 Ų | 188 | 183.1 Ų | 183.1 | 87% | 0.87 | 86% | 0.855 | S | S | * | * | | | trans | -60.1 | 114.9 | 176.7 | -147.2 | 36 | 0 | 0 | 0 | 109.3 | R7 R11 | R7-H9 PolarHBondContact O-N 3.04Å; H9-R11 PolarHBondContact O-N 2.8Å |
| 10 | R | 53.5 | Low | 56.6 | Low | 243 Ų | 243 | 180 Ų | 180 | 92% | 0.917 | 85% | 0.854 | S | S | * | * | | | trans | -65.6 | 96.7 | -174.2 | -160.1 | 178.7 | -172.1 | 179.5 | 3.2 | 108.9 | P8 R12 | P8-R10 PolarHBondContact O-N 3.18Å; P8-R10 VanDerWaalsContact O-N 3.09Å; R10-R12 PolarHBondContact O-N 3.43Å |
| 11 | R | 56.6 | Low | 56.2 | Low | 239 Ų | 239 | 176.2 Ų | 176.2 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | | | trans | -58 | 108.7 | 179 | -62.4 | 179.5 | 86.9 | 175.3 | 6.2 | 109.3 | H9 R13 | H9-R11 PolarHBondContact O-N 2.8Å; R11-R13 PolarHBondContact O-N 3Å |
| 12 | R | 58.3 | Low | 55.6 | Low | 248 Ų | 248 | 169.8 Ų | 169.8 | 94% | 0.936 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 116.1 | 168.2 | -86.4 | -179.1 | 157.7 | 178.8 | -5 | 107.9 | R10 A14 | R10-R12 PolarHBondContact O-N 3.43Å; R12-A14 PolarHBondContact O-N 2.88Å |
| 13 | R | 61.6 | Low | 55 | Low | 240 Ų | 240 | 171.8 Ų | 171.8 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 126.2 | 170.3 | -87.9 | -177.6 | 174 | 179.4 | -1.3 | 108.4 | R11 R15 | R11-R13 PolarHBondContact O-N 3Å; R13-R15 PolarHBondContact O-N 2.73Å; R13-R15 VanDerWaalsContact O-N 3.11Å |
| 14 | A | 56.8 | Low | 54.1 | Low | 95 Ų | 95 | 175 Ų | 175 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 116.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109 | R12 R16 | R12-A14 PolarHBondContact O-N 2.88Å; A14-R16 PolarHBondContact O-N 2.71Å; A14-R16 VanDerWaalsContact O-N 3.16Å |
| 15 | R | 61 | Low | 52.8 | Low | 236 Ų | 236 | 176.8 Ų | 176.8 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | | | trans | -67.8 | 109.3 | 169.6 | -74.2 | -176.9 | 168.1 | -175.3 | -3.9 | 106.8 | R13 C17 | R13-R15 PolarHBondContact O-N 2.73Å; R13-R15 VanDerWaalsContact O-N 3.11Å; R15-C17 PolarHBondContact O-N 2.8Å; R15-C17 VanDerWaalsContact O-N 3.09Å |
| 16 | R | 53.6 | Low | 51.8 | Low | 238 Ų | 238 | 176.9 Ų | 176.9 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | | | trans | -71.5 | 99.2 | 165.1 | -74.9 | -174.8 | 179.8 | -172.4 | -0.8 | 107 | A14 R18 | A14-R16 PolarHBondContact O-N 2.71Å; A14-R16 VanDerWaalsContact O-N 3.16Å; R16-R18 PolarHBondContact O-N 2.91Å |
| 17 | C | 46.9 | Very low | 50.4 | Low | 106 Ų | 106 | 181.6 Ų | 181.6 | 72% | 0.716 | 84% | 0.841 | S | S | * | * | | | trans | -61.3 | 101.9 | 162.9 | -62.8 | 0 | 0 | 0 | 0 | 107 | R15 N19 | R15-C17 PolarHBondContact O-N 2.8Å; R15-C17 VanDerWaalsContact O-N 3.09Å; C17-N19 PolarHBondContact O-N 2.73Å; C17-N19 VanDerWaalsContact O-N 3.16Å |
| 18 | R | 51.9 | Low | 49.6 | Very low | 238 Ų | 238 | 177.9 Ų | 177.9 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | | | trans | -73.4 | 101.3 | 162.8 | -86.5 | -177.7 | 172.5 | 176.3 | -2.6 | 105.5 | R16 S20 | R16-R18 PolarHBondContact O-N 2.91Å; R18-S20 PolarHBondContact O-N 2.76Å |
| 19 | N | 51.8 | Low | 48.7 | Very low | 143 Ų | 143 | 178.3 Ų | 178.3 | 77% | 0.765 | 83% | 0.83 | S | S | * | * | | | trans | -56.4 | 108.4 | 167.3 | -70 | -18 | 0 | 0 | 0 | 107.4 | C17 S21 | C17-N19 PolarHBondContact O-N 2.73Å; C17-N19 VanDerWaalsContact O-N 3.16Å; N19-S21 PolarHBondContact O-N 2.81Å |
| 20 | S | 46.9 | Very low | 48.1 | Very low | 120 Ų | 120 | 176.8 Ų | 176.8 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | | | trans | -69.8 | 72.9 | 168.1 | 52.8 | 0 | 0 | 0 | 0 | 108.4 | R18 A22 | R18-S20 PolarHBondContact O-N 2.76Å; S20-A22 VanDerWaalsContact C-N 3.3Å; S20-A22 PolarHBondContact O-N 2.86Å; S20-A22 VanDerWaalsContact O-N 3.16Å |
| 21 | S | 48.4 | Very low | 47.5 | Very low | 102 Ų | 102 | 169.8 Ų | 169.8 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | | | trans | -81.3 | 90.6 | 161 | 60.9 | 0 | 0 | 0 | 0 | 107.2 | N19 K23 | N19-S21 PolarHBondContact O-N 2.81Å; S21-K23 VanDerWaalsContact C-N 3.33Å; S21-K23 PolarHBondContact O-N 2.8Å |
| 22 | A | 40.4 | Very low | 46.7 | Very low | 93 Ų | 93 | 167.5 Ų | 167.5 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | | | trans | -58 | 95 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109 | S20 | S20-A22 VanDerWaalsContact C-N 3.3Å; S20-A22 PolarHBondContact O-N 2.86Å; S20-A22 VanDerWaalsContact O-N 3.16Å |
| 23 | K | 43.9 | Very low | 45.9 | Very low | 195 Ų | 195 | 160.7 Ų | 160.7 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | | | trans | -105.7 | 88.1 | 155.2 | -79.5 | -167.1 | 176.9 | -177.2 | 0 | 107.6 | S21 K25 | S21-K23 VanDerWaalsContact C-N 3.33Å; S21-K23 PolarHBondContact O-N 2.8Å; K23-K25 PolarHBondContact O-N 2.78Å |
| 24 | K | 38.2 | Very low | 45 | Very low | 203 Ų | 203 | 158.7 Ų | 158.7 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | -45.9 | 115.6 | 158.1 | -73.3 | 174 | 172.7 | 177.3 | 0 | 107.9 | | |
| 25 | K | 40.3 | Very low | 44.4 | Very low | 198 Ų | 198 | 158.6 Ų | 158.6 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | | | trans | -108.7 | 128.3 | 151.9 | -87.1 | -166.7 | 174.7 | -173 | 0 | 107.6 | K23 | K23-K25 PolarHBondContact O-N 2.78Š|
| 26 | P | 40.8 | Very low | 43.6 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -73.8 | 144.1 | -173.3 | 29.4 | -32.9 | 0 | 0 | 0 | 112 | | |
| 27 | R | 36.9 | Very low | 43 | Very low | 212 Ų | 212 | 148.6 Ų | 148.6 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | | | trans | 3.5 | 114.1 | 151.4 | -70.3 | 172 | 165.5 | 159 | -0.2 | 115.9 | E29 | R27-E29 HydrophobicContact CB-CG 4.35Å; R27-E29 VanDerWaalsContact CD-OE1 3.23Å; R27-E29 WeakPolarHBondContact CD-OE1 3.05Å; R27-E29 IonicContact CZ-OE1 3.84Å; R27-E29 IonicContact NE-OE1 2.83Å; R27-E29 PolarHBondContact NE-OE1 3.06Å; R27-E29 VanDerWaalsContact NE-OE1 3.16Å |
| 28 | N | 39.9 | Very low | 42.8 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | trans | -106.6 | 92.8 | 145.8 | -167.8 | 2.5 | 0 | 0 | 0 | 106.5 | | |
| 29 | E | 40.9 | Very low | 42.4 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 62% | 0.621 | 80% | 0.796 | S | S | * | * | | | trans | -86.2 | 105.4 | 167.8 | -70.9 | 170.9 | -171.9 | 0 | 0 | 106 | R27 | R27-E29 HydrophobicContact CB-CG 4.35Å; R27-E29 VanDerWaalsContact CD-OE1 3.23Å; R27-E29 WeakPolarHBondContact CD-OE1 3.05Å; R27-E29 IonicContact CZ-OE1 3.84Å; R27-E29 IonicContact NE-OE1 2.83Å; R27-E29 PolarHBondContact NE-OE1 3.06Å; R27-E29 VanDerWaalsContact NE-OE1 3.16Å |
| 30 | N | 41.8 | Very low | 42 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -170.1 | 128.6 | 149.3 | -97.7 | -28.9 | 0 | 0 | 0 | 112.6 | | |
| 31 | A | 41.5 | Very low | 41.9 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | | | trans | 68.1 | 75.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 32 | E | 39.5 | Very low | 41.7 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | -119.2 | 105.2 | 143.4 | -99 | -175.8 | 169.7 | 0 | 0 | 109.6 | K34 | E32-K34 PolarHBondContact O-N 2.79Å; E32-K34 VanDerWaalsContact O-N 3.08Å |
| 33 | A | 41.6 | Very low | 42.3 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -61.7 | 104 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A35 | A33-A35 PolarHBondContact O-N 3.2Å; A33-A35 VanDerWaalsContact O-N 3.12Å |
| 34 | K | 42.6 | Very low | 42.3 | Very low | 197 Ų | 197 | 145.4 Ų | 145.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -72.2 | 102.3 | 166.6 | -73.9 | -177.1 | 177.8 | -179.9 | 0 | 108.2 | E32 V36 | E32-K34 PolarHBondContact O-N 2.79Å; E32-K34 VanDerWaalsContact O-N 3.08Å; K34-V36 PolarHBondContact O-N 2.88Å |
| 35 | A | 44.9 | Very low | 42.3 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | trans | -61.8 | 100.5 | 167 | 0 | 0 | 0 | 0 | 0 | 108.8 | A33 V37 | A33-A35 PolarHBondContact O-N 3.2Å; A33-A35 VanDerWaalsContact O-N 3.12Å; A35-V37 PolarHBondContact O-N 3.14Å; A35-V37 VanDerWaalsContact O-N 3.14Å |
| 36 | V | 42.4 | Very low | 42.5 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | -72 | 103.1 | 170 | 178.1 | 0 | 0 | 0 | 0 | 106.6 | K34 A38 | K34-V36 PolarHBondContact O-N 2.88Å; V36-A38 PolarHBondContact O-N 3.08Å; V36-A38 VanDerWaalsContact O-N 3.12Å |
| 37 | V | 41.1 | Very low | 42.7 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -63.5 | 110.8 | 169.3 | 176.9 | 0 | 0 | 0 | 0 | 106.7 | A35 A39 | A35-V37 PolarHBondContact O-N 3.14Å; A35-V37 VanDerWaalsContact O-N 3.14Å; V37-A39 PolarHBondContact O-N 2.97Å |
| 38 | A | 43.6 | Very low | 42.8 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -59.8 | 110.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | V36 | V36-A38 PolarHBondContact O-N 3.08Å; V36-A38 VanDerWaalsContact O-N 3.12Å |
| 39 | A | 42.8 | Very low | 42.9 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | | | trans | -66.5 | 134.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108 | V37 D41 | V37-A39 PolarHBondContact O-N 2.97Å; A39-D41 PolarHBondContact O-N 3.35Å |
| 40 | P | 44 | Very low | 42.8 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | trans | -62.6 | 125.1 | 178.7 | 22.2 | -30 | 0 | 0 | 0 | 110.5 | Y42 | P40-Y42 HydrophobicContact CG-CE2 4.32Å; P40-Y42 PolarHBondContact O-N 2.88Å |
| 41 | D | 45.7 | Very low | 42.5 | Very low | 164 Ų | 164 | 129.7 Ų | 129.7 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | trans | -60.1 | 95.3 | 172.8 | -72.3 | -40.9 | 0 | 0 | 0 | 109.5 | A39 | A39-D41 PolarHBondContact O-N 3.35Š|
| 42 | Y | 44 | Very low | 42.6 | Very low | 196 Ų | 196 | 130.4 Ų | 130.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -72.3 | 129.6 | 164.9 | -84.3 | -87.4 | 0 | 0 | 0 | 108.4 | P40 Q44 | P40-Y42 HydrophobicContact CG-CE2 4.32Å; P40-Y42 PolarHBondContact O-N 2.88Å; Y42-Q44 PolarHBondContact O-N 3.19Å |
| 43 | P | 52.8 | Low | 42.5 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -62.6 | 112.2 | 174.9 | 24.8 | -31.4 | 0 | 0 | 0 | 108.5 | C45 | P43-C45 PolarHBondContact O-N 2.78Š|
| 44 | Q | 42.2 | Very low | 42.2 | Very low | 186 Ų | 186 | 131.1 Ų | 131.1 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -61.4 | 110.1 | 167 | -75.8 | -175.1 | -33.8 | 0 | 0 | 107.4 | Y42 S46 | Y42-Q44 PolarHBondContact O-N 3.19Å; Q44-S46 VanDerWaalsContact C-N 3.34Å; Q44-S46 PolarHBondContact O-N 2.85Å |
| 45 | C | 39.6 | Very low | 42.2 | Very low | 122 Ų | 122 | 130 Ų | 130 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -61.9 | 99.4 | 169.1 | -65.6 | 0 | 0 | 0 | 0 | 108.1 | P43 P47 | P43-C45 PolarHBondContact O-N 2.78Å; C45-P47 WeakPolarHBondContact O-CD 3.15Å |
| 46 | S | 45 | Very low | 41.7 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 121.2 | 169.2 | -63 | 0 | 0 | 0 | 0 | 108.7 | Q44 G48 | Q44-S46 VanDerWaalsContact C-N 3.34Å; Q44-S46 PolarHBondContact O-N 2.85Å; S46-G48 PolarHBondContact O-N 3.44Å; S46-G48 VanDerWaalsContact O-N 3.1Å |
| 47 | P | 43.4 | Very low | 41.5 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 118.5 | 175.5 | -20.2 | 31.5 | 0 | 0 | 0 | 108.9 | C45 Q49 | C45-P47 WeakPolarHBondContact O-CD 3.15Å; P47-Q49 PolarHBondContact O-N 3.23Å |
| 48 | G | 39 | Very low | 41.4 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 127.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S46 G50 | S46-G48 PolarHBondContact O-N 3.44Å; S46-G48 VanDerWaalsContact O-N 3.1Å; G48-G50 PolarHBondContact O-N 3.39Å |
| 49 | Q | 41.9 | Very low | 40.9 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | | | trans | -67.7 | 82.2 | 174 | -66.7 | -161.9 | -16 | 0 | 0 | 110.1 | P47 K51 | P47-Q49 PolarHBondContact O-N 3.23Å; Q49-K51 VanDerWaalsContact C-N 3.3Å; Q49-K51 PolarHBondContact O-N 3.24Å |
| 50 | G | 39.7 | Very low | 40.6 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | -71.7 | 87.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | G48 S52 | G48-G50 PolarHBondContact O-N 3.39Å; G50-S52 VanDerWaalsContact C-N 3.29Å; G50-S52 PolarHBondContact O-N 2.98Å |
| 51 | K | 36 | Very low | 40.3 | Very low | 186 Ų | 186 | 143 Ų | 143 | 81% | 0.809 | 81% | 0.806 | S | S | * | * | | | trans | -70.4 | 86.9 | 166.9 | -68.5 | -179.2 | -179.4 | 178.1 | 0 | 108.3 | Q49 | Q49-K51 VanDerWaalsContact C-N 3.3Å; Q49-K51 PolarHBondContact O-N 3.24Å |
| 52 | S | 43.7 | Very low | 40 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | -84.7 | 125.5 | 168.5 | 46.8 | 0 | 0 | 0 | 0 | 109.8 | G50 | G50-S52 VanDerWaalsContact C-N 3.29Å; G50-S52 PolarHBondContact O-N 2.98Å |
| 53 | Q | 36.3 | Very low | 39.7 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | trans | -67.2 | 148.5 | 175.9 | -78.3 | -164.2 | -34.1 | 0 | 0 | 111.8 | L55 | Q53-L55 PolarHBondContact O-N 2.72Š|
| 54 | P | 35.5 | Very low | 39.2 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | trans | -77.5 | 107.2 | -177.3 | 30.4 | -32.6 | 0 | 0 | 0 | 111.1 | S56 | P54-S56 PolarHBondContact O-N 3.46Š|
| 55 | L | 42.8 | Very low | 39.2 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -87.2 | 103.9 | 165.4 | -83.9 | 161.2 | 0 | 0 | 0 | 109.6 | Q53 | Q53-L55 PolarHBondContact O-N 2.72Š|
| 56 | S | 34 | Very low | 39.2 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | 42.3 | 111.8 | 142 | -165.5 | 0 | 0 | 0 | 0 | 118.3 | P54 R58 | P54-S56 PolarHBondContact O-N 3.46Å; S56-R58 PolarHBondContact O-N 2.75Å |
| 57 | S | 38.7 | Very low | 39.3 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -57.5 | 115.8 | 164.8 | 41 | 0 | 0 | 0 | 0 | 112.5 | | |
| 58 | R | 38.3 | Very low | 39 | Very low | 224 Ų | 224 | 137 Ų | 137 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | -127.6 | 100.7 | 153.2 | -160.6 | 170.6 | -175.5 | -173.3 | 2.6 | 109.5 | S56 K60 | S56-R58 PolarHBondContact O-N 2.75Å; R58-K60 PolarHBondContact O-N 3.47Å |
| 59 | T | 32.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | -55.3 | 112.6 | 172.2 | 32.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 60 | K | 38.3 | Very low | 39.6 | Very low | 182 Ų | 182 | 146 Ų | 146 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -123.9 | 97.2 | 153.9 | -80.8 | -172.5 | 176.9 | -178.5 | 0 | 107.7 | R58 S62 | R58-K60 PolarHBondContact O-N 3.47Å; K60-S62 PolarHBondContact O-N 3.49Å; K60-S62 VanDerWaalsContact O-N 3.15Å |
| 61 | T | 37.1 | Very low | 39.9 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | | | trans | -61.2 | 105 | 167.2 | 37.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 62 | S | 38 | Very low | 40.6 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | trans | -112.7 | 129.7 | 161.2 | 63.8 | 0 | 0 | 0 | 0 | 108 | K60 S64 | K60-S62 PolarHBondContact O-N 3.49Å; K60-S62 VanDerWaalsContact O-N 3.15Å; S62-S64 PolarHBondContact O-N 3.37Å |
| 63 | S | 38.7 | Very low | 40.8 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | -66.2 | 94.5 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | K65 | S63-K65 PolarHBondContact O-N 3.3Š|
| 64 | S | 43 | Very low | 41.7 | Very low | 103 Ų | 103 | 153.4 Ų | 153.4 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | | | trans | -80.7 | 109.4 | 168.6 | 54.8 | 0 | 0 | 0 | 0 | 108.3 | S62 V66 | S62-S64 PolarHBondContact O-N 3.37Å; S64-V66 PolarHBondContact O-N 3.36Å; S64-V66 VanDerWaalsContact O-N 3.1Å |
| 65 | K | 40.8 | Very low | 42.6 | Very low | 190 Ų | 190 | 155.8 Ų | 155.8 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | -48.4 | 116.1 | 171.3 | -75.5 | 173.9 | 174.1 | 175.5 | 0 | 109.3 | S63 L67 | S63-K65 PolarHBondContact O-N 3.3Å; K65-L67 PolarHBondContact O-N 3.12Å |
| 66 | V | 41.1 | Very low | 42.8 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | | | trans | -61 | 103.6 | 170 | 178.2 | 0 | 0 | 0 | 0 | 107.4 | S64 G68 | S64-V66 PolarHBondContact O-N 3.36Å; S64-V66 VanDerWaalsContact O-N 3.1Å; V66-G68 PolarHBondContact O-N 3.3Å; V66-G68 VanDerWaalsContact O-N 3.08Å |
| 67 | L | 47.3 | Very low | 43.7 | Very low | 162 Ų | 162 | 158.2 Ų | 158.2 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -65.4 | 108.4 | 168.2 | -71.3 | 169.6 | 0 | 0 | 0 | 107 | K65 K69 | K65-L67 PolarHBondContact O-N 3.12Å; L67-K69 PolarHBondContact O-N 3.13Å |
| 68 | G | 37 | Very low | 44.3 | Very low | 62 Ų | 62 | 159.6 Ų | 159.6 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | | | trans | -54.1 | 128.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V66 R70 | V66-G68 PolarHBondContact O-N 3.3Å; V66-G68 VanDerWaalsContact O-N 3.08Å; G68-R70 PolarHBondContact O-N 3.01Å; G68-R70 VanDerWaalsContact O-N 3.11Å |
| 69 | K | 48.2 | Very low | 44.9 | Very low | 203 Ų | 203 | 154.9 Ų | 154.9 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -60.9 | 111.9 | 168 | -64 | -175.6 | 179.1 | -178.1 | 0 | 107.2 | L67 D71 | L67-K69 PolarHBondContact O-N 3.13Å; K69-D71 PolarHBondContact O-N 3.08Å |
| 70 | R | 45.4 | Very low | 45.6 | Very low | 226 Ų | 226 | 157.1 Ų | 157.1 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | -73.6 | 117.5 | 169.9 | -74.2 | -178.6 | -175.6 | 149.8 | 1.1 | 107.7 | G68 I72 | G68-R70 PolarHBondContact O-N 3.01Å; G68-R70 VanDerWaalsContact O-N 3.11Å; R70-I72 PolarHBondContact O-N 3.17Å; R70-I72 VanDerWaalsContact O-N 3.17Å |
| 71 | D | 46.1 | Very low | 46 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | | | trans | -61.8 | 112.3 | 171.1 | -76.6 | -30.6 | 0 | 0 | 0 | 109.7 | K69 R73 | K69-D71 PolarHBondContact O-N 3.08Å; D71-R73 PolarHBondContact O-N 3.36Å; D71-R73 VanDerWaalsContact O-N 3.07Å |
| 72 | I | 50.1 | Low | 46.5 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | | | trans | -73.1 | 98 | 172.5 | -59.2 | 170.2 | 0 | 0 | 0 | 106.4 | R70 E74 | R70-I72 PolarHBondContact O-N 3.17Å; R70-I72 VanDerWaalsContact O-N 3.17Å; I72-E74 PolarHBondContact O-N 2.91Å |
| 73 | R | 47.2 | Very low | 46.9 | Very low | 229 Ų | 229 | 157.1 Ų | 157.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -74.9 | 114.3 | 170.8 | -68.9 | -176.9 | -178.3 | 179.4 | 0.6 | 108.3 | D71 E75 | D71-R73 PolarHBondContact O-N 3.36Å; D71-R73 VanDerWaalsContact O-N 3.07Å; R73-E75 PolarHBondContact O-N 3.42Å |
| 74 | E | 54.7 | Low | 47.5 | Very low | 172 Ų | 172 | 160.8 Ų | 160.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -64.5 | 98.9 | 170.7 | -67.5 | -177.9 | 167 | 0 | 0 | 109.4 | I72 K76 | I72-E74 PolarHBondContact O-N 2.91Å; E74-K76 PolarHBondContact O-N 3.21Å; E74-K76 VanDerWaalsContact O-N 3.11Å |
| 75 | E | 55.2 | Low | 47.7 | Very low | 179 Ų | 179 | 163.8 Ų | 163.8 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | | | trans | -69.2 | 104.2 | 171.6 | -168.9 | 178.3 | 179.2 | 0 | 0 | 108.7 | R73 I77 | R73-E75 PolarHBondContact O-N 3.42Å; E75-I77 PolarHBondContact O-N 3.36Å |
| 76 | K | 47.6 | Very low | 48 | Very low | 180 Ų | 180 | 159.9 Ų | 159.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -71 | 106.7 | 174.5 | -69.4 | -179.1 | -180 | 178.5 | 0 | 108.4 | E74 D78 | E74-K76 PolarHBondContact O-N 3.21Å; E74-K76 VanDerWaalsContact O-N 3.11Å; K76-D78 PolarHBondContact O-N 3.11Å |
| 77 | I | 53.3 | Low | 48.3 | Very low | 150 Ų | 150 | 161 Ų | 161 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -72 | 111 | 173.1 | -59.3 | 170.3 | 0 | 0 | 0 | 108 | E75 S79 | E75-I77 PolarHBondContact O-N 3.36Å; I77-S79 PolarHBondContact O-N 2.97Å; I77-S79 VanDerWaalsContact O-N 3.14Å |
| 78 | D | 51 | Low | 48.5 | Very low | 145 Ų | 145 | 157.9 Ų | 157.9 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -63.9 | 110.2 | 174.3 | -74.1 | -33.5 | 0 | 0 | 0 | 110.1 | K76 E80 | K76-D78 PolarHBondContact O-N 3.11Å; D78-E80 VanDerWaalsContact C-N 3.26Å; D78-E80 PolarHBondContact O-N 3.03Å; D78-E80 VanDerWaalsContact O-N 3.1Å |
| 79 | S | 50.2 | Low | 49 | Very low | 125 Ų | 125 | 164.9 Ų | 164.9 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -87.3 | 57.7 | -177.8 | 42.8 | 0 | 0 | 0 | 0 | 111 | I77 | I77-S79 PolarHBondContact O-N 2.97Å; I77-S79 VanDerWaalsContact O-N 3.14Å |
| 80 | E | 47.5 | Very low | 49.2 | Very low | 176 Ų | 176 | 164.9 Ų | 164.9 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | -128.6 | 49.2 | -176 | -139.8 | -174.5 | -169.7 | 0 | 0 | 114.4 | D78 | D78-E80 VanDerWaalsContact C-N 3.26Å; D78-E80 PolarHBondContact O-N 3.03Å; D78-E80 VanDerWaalsContact O-N 3.1Å |
| 81 | S | 46.7 | Very low | 49.3 | Very low | 106 Ų | 106 | 164.5 Ų | 164.5 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -151.8 | 69.9 | 172.1 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 82 | L | 48.2 | Very low | 49.7 | Very low | 131 Ų | 131 | 167.2 Ų | 167.2 | 69% | 0.686 | 81% | 0.812 | S | S | * | * | | | trans | -158 | 60.9 | 159.3 | -137.4 | 83 | 0 | 0 | 0 | 113.2 | R84 | L82-R84 HydrophobicContact CD2-CG 4.2Å; L82-R84 HydrophobicContact CG-CG 4.23Å; L82-R84 PolarHBondContact O-N 3.09Å; L82-R84 VanDerWaalsContact O-N 3.11Å |
| 83 | K | 46.9 | Very low | 49.3 | Very low | 198 Ų | 198 | 163.2 Ų | 163.2 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -76.9 | 93.1 | 163.3 | -73.8 | 176.8 | -176.5 | 161.7 | 0 | 108.1 | D85 | K83-D85 PolarHBondContact O-N 3.18Š|
| 84 | R | 50.9 | Low | 49.4 | Very low | 198 Ų | 198 | 163.8 Ų | 163.8 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | | | trans | -75.3 | 117 | 175.2 | -75.9 | -178.6 | 178.2 | 156.4 | 0.5 | 110.8 | L82 S86 | L82-R84 HydrophobicContact CD2-CG 4.2Å; L82-R84 HydrophobicContact CG-CG 4.23Å; L82-R84 PolarHBondContact O-N 3.09Å; L82-R84 VanDerWaalsContact O-N 3.11Å; R84-S86 PolarHBondContact O-N 2.98Å; R84-S86 PolarHBondContact O-OG 3.17Å |
| 85 | D | 46.1 | Very low | 49.7 | Very low | 167 Ų | 167 | 166.5 Ų | 166.5 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | -60.7 | 102.5 | 168.5 | -68.9 | -42.8 | 0 | 0 | 0 | 110.9 | K83 | K83-D85 PolarHBondContact O-N 3.18Š|
| 86 | S | 46.8 | Very low | 49.3 | Very low | 107 Ų | 107 | 167.8 Ų | 167.8 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | | | trans | -112.6 | 63.6 | -179.8 | 28.6 | 0 | 0 | 0 | 0 | 110 | R84 | R84-S86 PolarHBondContact O-N 2.98Å; R84-S86 PolarHBondContact O-OG 3.17Å |
| 87 | N | 49.1 | Very low | 49.6 | Very low | 163 Ų | 163 | 165 Ų | 165 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | | | trans | -120.4 | 72.6 | 172.1 | -88.6 | -26.1 | 0 | 0 | 0 | 110.8 | | |
| 88 | S | 50.1 | Low | 49.2 | Very low | 96 Ų | 96 | 162.3 Ų | 162.3 | 67% | 0.671 | 82% | 0.816 | S | S | * | * | | | trans | -120.4 | 90.6 | 165.8 | 158.3 | 0 | 0 | 0 | 0 | 109.4 | R90 | S88-R90 PolarHBondContact O-N 3.17Š|
| 89 | K | 48.6 | Very low | 49 | Very low | 209 Ų | 209 | 161.7 Ų | 161.7 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -72.5 | 85.5 | 169.7 | -68 | -163.9 | -178.4 | -178.8 | 0 | 110.1 | | |
| 90 | R | 51.8 | Low | 48.8 | Very low | 204 Ų | 204 | 162.1 Ų | 162.1 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | | | trans | -95.7 | 109.6 | 167.2 | -87.8 | -178.1 | 166.5 | -173.6 | -4.9 | 110.2 | S88 K92 | S88-R90 PolarHBondContact O-N 3.17Å; R90-K92 PolarHBondContact O-N 3.38Å; R90-K92 VanDerWaalsContact O-N 3.09Å |
| 91 | K | 47.6 | Very low | 48.5 | Very low | 217 Ų | 217 | 156.5 Ų | 156.5 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | | | trans | -61 | 103.5 | 164.7 | -77.2 | -176.1 | 175.2 | 179.6 | 0 | 108.3 | | |
| 92 | K | 53.6 | Low | 48.6 | Very low | 201 Ų | 201 | 155.7 Ų | 155.7 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -83.5 | 113.3 | 168.4 | -77.9 | -174 | 176.6 | -179.2 | 0 | 108.5 | R90 R94 | R90-K92 PolarHBondContact O-N 3.38Å; R90-K92 VanDerWaalsContact O-N 3.09Å; K92-R94 PolarHBondContact O-N 3.28Å |
| 93 | G | 43.2 | Very low | 48.5 | Very low | 74 Ų | 74 | 161.2 Ų | 161.2 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | | | trans | -61 | 124 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R95 | G93-R95 PolarHBondContact O-N 3.4Š|
| 94 | R | 48.6 | Very low | 48.7 | Very low | 241 Ų | 241 | 158 Ų | 158 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | -77.3 | 95.3 | 179.3 | -175.7 | -179.5 | 176.9 | -168.2 | -0.3 | 108.9 | K92 | K92-R94 PolarHBondContact O-N 3.28Š|
| 95 | R | 61.2 | Low | 48.7 | Very low | 229 Ų | 229 | 152.2 Ų | 152.2 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -73.6 | 124.3 | 166.4 | -78 | -177.3 | 171.7 | 161 | -2.4 | 108.5 | G93 T97 | G93-R95 PolarHBondContact O-N 3.4Å; R95-T97 PolarHBondContact O-N 2.79Å |
| 96 | K | 46.2 | Very low | 49.1 | Very low | 207 Ų | 207 | 149.9 Ų | 149.9 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 107.1 | 169.8 | -65.9 | -176.1 | 179.5 | -178.4 | 0 | 107.4 | | |
| 97 | T | 54.3 | Low | 49.3 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | -91.3 | 114.5 | 165.8 | 47.8 | 0 | 0 | 0 | 0 | 107.4 | R95 T99 | R95-T97 PolarHBondContact O-N 2.79Å; T97-T99 PolarHBondContact O-N 2.87Å |
| 98 | A | 45.5 | Very low | 49.1 | Very low | 94 Ų | 94 | 150.2 Ų | 150.2 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | -67.7 | 112.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | V100 | A98-V100 PolarHBondContact O-N 2.79Š|
| 99 | T | 46.8 | Very low | 49.2 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | trans | -68.5 | 97.1 | 172 | -53.1 | 0 | 0 | 0 | 0 | 107.5 | T97 G101 | T97-T99 PolarHBondContact O-N 2.87Å; T99-G101 PolarHBondContact O-N 3.46Å; T99-G101 VanDerWaalsContact O-N 3.13Å |
| 100 | V | 44.3 | Very low | 49.4 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | -70.9 | 105 | 167.2 | 179.4 | 0 | 0 | 0 | 0 | 106 | A98 A102 | A98-V100 PolarHBondContact O-N 2.79Å; V100-A102 PolarHBondContact O-N 2.86Å |
| 101 | G | 42.6 | Very low | 49.4 | Very low | 58 Ų | 58 | 146.9 Ų | 146.9 | 60% | 0.598 | 75% | 0.75 | S | S | * | * | | | trans | -60.5 | 109.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T99 R103 | T99-G101 PolarHBondContact O-N 3.46Å; T99-G101 VanDerWaalsContact O-N 3.13Å; G101-R103 PolarHBondContact O-N 3.44Å |
| 102 | A | 49.4 | Very low | 49.4 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | | | trans | -61.9 | 109.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | V100 L104 | V100-A102 PolarHBondContact O-N 2.86Å; A102-L104 PolarHBondContact O-N 3.47Å |
| 103 | R | 45.2 | Very low | 49 | Very low | 248 Ų | 248 | 138 Ų | 138 | 94% | 0.936 | 73% | 0.729 | S | S | * | * | | | trans | -62.5 | 100.8 | 170.2 | -71.8 | 178.4 | 175.2 | 178.4 | -3 | 106.9 | G101 S105 | G101-R103 PolarHBondContact O-N 3.44Å; R103-S105 PolarHBondContact O-N 2.94Å |
| 104 | L | 50.6 | Low | 49.2 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | | | trans | -65.8 | 128.5 | 169.6 | -70.1 | 168.4 | 0 | 0 | 0 | 107.8 | A102 | A102-L104 PolarHBondContact O-N 3.47Š|
| 105 | S | 51.2 | Low | 49.2 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 53% | 0.531 | 72% | 0.718 | S | S | . | * | | | trans | -53 | 137 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | R103 Q107 Q108 | R103-S105 PolarHBondContact O-N 2.94Å; S105-Q107 PolarHBondContact O-N 3.34Å; S105-Q107 VanDerWaalsContact O-N 3.09Å; S105-Q107 PolarHBondContact OG-N 2.7Å; S105-Q108 PolarHBondContact O-N 2.96Å |
| 106 | D | 55.5 | Low | 48.6 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -59.7 | -21.8 | -178.3 | -66.8 | -39.7 | 0 | 0 | 0 | 112.9 | Q108 R109 | D106-Q108 VanDerWaalsContact C-N 3.27Å; D106-Q108 PolarHBondContact O-N 2.83Å; D106-R109 PolarHBondContact O-N 3.47Å; D106-R109 IonicContact OD1-CZ 2.76Å; D106-R109 IonicContact OD1-NE 2.68Å; D106-R109 IonicContact OD1-NH2 3.16Å; D106-R109 PolarHBondContact OD1-NH2 3.24Å |
| 107 | Q | 49.7 | Very low | 48.2 | Very low | 155 Ų | 155 | 124 Ų | 124 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -64.9 | -24.9 | 174.9 | -76.3 | -176.2 | -20.2 | 0 | 0 | 114.1 | S105 | S105-Q107 PolarHBondContact O-N 3.34Å; S105-Q107 VanDerWaalsContact O-N 3.09Å; S105-Q107 PolarHBondContact OG-N 2.7Å |
| 108 | Q | 44.7 | Very low | 47.6 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 57% | 0.57 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -78.7 | -22.2 | 177.9 | -157.7 | 70.9 | 48.6 | 0 | 0 | 112.1 | S105 D106 | S105-Q108 PolarHBondContact O-N 2.96Å; D106-Q108 VanDerWaalsContact C-N 3.27Å; D106-Q108 PolarHBondContact O-N 2.83Å |
| 109 | R | 52.4 | Low | 47.3 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 65% | 0.653 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -22.3 | -179.4 | -87.1 | -171.5 | -85.8 | -150.6 | -0.1 | 113.7 | D106 | D106-R109 PolarHBondContact O-N 3.47Å; D106-R109 IonicContact OD1-CZ 2.76Å; D106-R109 IonicContact OD1-NE 2.68Å; D106-R109 IonicContact OD1-NH2 3.16Å; D106-R109 PolarHBondContact OD1-NH2 3.24Å |
| 110 | E | 52.6 | Low | 47.1 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -25.5 | -177.5 | -162.1 | 168.9 | -166.4 | 0 | 0 | 112.8 | | |
| 111 | I | 52.9 | Low | 47 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 57% | 0.574 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -76.6 | -26.2 | -176.8 | -57.8 | 177 | 0 | 0 | 0 | 112 | S113 | I111-S113 VanDerWaalsContact C-N 3.34Å; I111-S113 PolarHBondContact O-N 2.78Å |
| 112 | D | 47.9 | Very low | 46.7 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -85.6 | -0.1 | -175.7 | -73.9 | -18.3 | 0 | 0 | 0 | 114.3 | | |
| 113 | S | 43.5 | Very low | 46.1 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -103.1 | 30.6 | -177.6 | 78.5 | 0 | 0 | 0 | 0 | 114.6 | I111 P115 | I111-S113 VanDerWaalsContact C-N 3.34Å; I111-S113 PolarHBondContact O-N 2.78Å; S113-P115 WeakPolarHBondContact O-CD 3.34Å |
| 114 | I | 48.6 | Very low | 46 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | | | trans | -79.2 | 111 | 170.7 | -58.2 | 177.9 | 0 | 0 | 0 | 108.6 | T116 | I114-T116 PolarHBondContact O-N 3.01Š|
| 115 | P | 49.1 | Very low | 45.3 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | | | trans | -72.1 | 99.2 | 178.4 | 29.5 | -32.6 | 0 | 0 | 0 | 110.1 | S113 G117 | S113-P115 WeakPolarHBondContact O-CD 3.34Å; P115-G117 PolarHBondContact O-N 3.16Å |
| 116 | T | 46.9 | Very low | 44.7 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 90% | 0.896 | 75% | 0.749 | S | S | * | * | | | trans | -71.3 | 78.5 | 166.1 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | I114 | I114-T116 PolarHBondContact O-N 3.01Š|
| 117 | G | 37.9 | Very low | 44.1 | Very low | 61 Ų | 61 | 144.5 Ų | 144.5 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | | | trans | -157.9 | 33.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P115 K119 | P115-G117 PolarHBondContact O-N 3.16Å; G117-K119 PolarHBondContact O-N 3.27Å; G117-K119 VanDerWaalsContact O-N 3.13Å |
| 118 | A | 42.7 | Very low | 43.3 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -72.8 | 105.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K120 | A118-K120 PolarHBondContact O-N 3Å; A118-K120 VanDerWaalsContact O-N 3.08Å |
| 119 | K | 39.7 | Very low | 42.9 | Very low | 204 Ų | 204 | 154 Ų | 154 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | | | trans | -53 | 110.8 | 171.6 | -68.1 | 179.6 | 176.8 | 178.4 | 0 | 109.2 | G117 S121 | G117-K119 PolarHBondContact O-N 3.27Å; G117-K119 VanDerWaalsContact O-N 3.13Å; K119-S121 PolarHBondContact O-N 2.8Å |
| 120 | K | 42.5 | Very low | 42.1 | Very low | 210 Ų | 210 | 155.2 Ų | 155.2 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | | | trans | -64.3 | 115.2 | 171.1 | -68.4 | -176.4 | 178 | -178.9 | 0 | 108.2 | A118 | A118-K120 PolarHBondContact O-N 3Å; A118-K120 VanDerWaalsContact O-N 3.08Å |
| 121 | S | 42.1 | Very low | 41.2 | Very low | 110 Ų | 110 | 157.1 Ų | 157.1 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -71 | 142.7 | 177 | 54.8 | 0 | 0 | 0 | 0 | 111 | K119 K123 | K119-S121 PolarHBondContact O-N 2.8Å; S121-K123 PolarHBondContact O-N 2.7Å |
| 122 | E | 35.8 | Very low | 40.3 | Very low | 176 Ų | 176 | 156.5 Ų | 156.5 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -84.5 | 40.4 | -164.9 | -160.6 | 162 | -169.4 | 0 | 0 | 113.7 | | |
| 123 | K | 37.1 | Very low | 39.8 | Very low | 197 Ų | 197 | 154.2 Ų | 154.2 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | | | trans | -126.5 | 64.8 | -173.4 | -73.5 | -172.8 | 177.9 | -179.9 | 0 | 113.3 | S121 | S121-K123 PolarHBondContact O-N 2.7Š|
| 124 | S | 41.9 | Very low | 39.4 | Very low | 117 Ų | 117 | 156.8 Ų | 156.8 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -163.7 | 48.2 | 156.4 | 67 | 0 | 0 | 0 | 0 | 112.6 | | |
| 125 | K | 36.7 | Very low | 38.6 | Very low | 181 Ų | 181 | 155.4 Ų | 155.4 | 79% | 0.787 | 83% | 0.831 | S | S | * | * | | | trans | -100 | 81.5 | 160.9 | -74.5 | 177.3 | -178.5 | 167 | 0 | 107.2 | | |
| 126 | N | 39.5 | Very low | 37.7 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | | | trans | -179.3 | 46.6 | 161.5 | -94.9 | -8.2 | 0 | 0 | 0 | 114.4 | | |
| 127 | I | 42.2 | Very low | 37 | Very low | 179 Ų | 179 | 155.7 Ų | 155.7 | 92% | 0.918 | 83% | 0.827 | S | S | * | * | | | trans | -133.2 | 71.2 | 158.7 | -52.5 | 176.8 | 0 | 0 | 0 | 107.2 | | |
| 128 | R | 31.9 | Very low | 36.8 | Very low | 239 Ų | 239 | 157.8 Ų | 157.8 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | | | trans | -129.3 | 94.6 | 175.3 | -135.5 | -173.9 | -173.1 | -173.6 | 1.3 | 105.8 | | |
| 129 | R | 36.2 | Very low | 36.3 | Very low | 237 Ų | 237 | 161.3 Ų | 161.3 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | | | trans | 156.2 | 139 | 153.6 | -86.9 | 157.9 | -176.3 | -168.8 | 0.9 | 109.4 | | |
| 130 | K | 36.4 | Very low | 36.1 | Very low | 198 Ų | 198 | 157 Ų | 157 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | | | trans | 87.7 | 84.2 | 172.6 | -51.2 | -175.4 | 179.5 | -175.5 | 0 | 114.8 | | |
| 131 | Q | 34.3 | Very low | 35.6 | Very low | 195 Ų | 195 | 153.9 Ų | 153.9 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | | | | -178.8 | 72.7 | 126 | -94.3 | 173.5 | 25.6 | 0 | 0 | 107.4 | | |
| 132 | A | 33.3 | Very low | 35.3 | Very low | 99 Ų | 99 | 158.2 Ų | 158.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -98.3 | 139.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 133 | A | 37.1 | Very low | 35.7 | Very low | 96 Ų | 96 | 156.5 Ų | 156.5 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | | | trans | 79.9 | 73.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 134 | V | 35 | Very low | 35.8 | Very low | 141 Ų | 141 | 157 Ų | 157 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | | | trans | -112.4 | 119.2 | 136.7 | 178.4 | 0 | 0 | 0 | 0 | 106.1 | | |
| 135 | C | 31.6 | Very low | 35.5 | Very low | 103 Ų | 103 | 154.4 Ų | 154.4 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | | | trans | -57.2 | 142 | -169.5 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | I137 | C135-I137 PolarHBondContact O-N 3.2Å; C135-I137 VanDerWaalsContact O-N 3.1Å |
| 136 | S | 30.8 | Very low | 35.6 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | -46.5 | 106.8 | 156.7 | 44.3 | 0 | 0 | 0 | 0 | 110.5 | T138 | S136-T138 PolarHBondContact O-N 3.26Š|
| 137 | I | 32.2 | Very low | 35.5 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -80.8 | 99.3 | 160.5 | -63.6 | 173.1 | 0 | 0 | 0 | 105.8 | C135 | C135-I137 PolarHBondContact O-N 3.2Å; C135-I137 VanDerWaalsContact O-N 3.1Å |
| 138 | T | 34.2 | Very low | 35.4 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 64% | 0.638 | 79% | 0.793 | S | S | * | * | | | trans | -66.4 | 126.8 | 160.8 | 38.8 | 0 | 0 | 0 | 0 | 109.3 | S136 | S136-T138 PolarHBondContact O-N 3.26Š|
| 139 | E | 32.3 | Very low | 36 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 72.3 | 137.9 | 144.2 | -62.4 | 174.5 | 173.8 | 0 | 0 | 119.1 | | |
| 140 | S | 34.3 | Very low | 36.5 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | 69.2 | 78.4 | 163.6 | 67.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 141 | E | 32.9 | Very low | 37 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | -139.7 | 99.1 | 136.4 | -79.3 | -153.4 | 146.5 | 0 | 0 | 109.4 | K143 | E141-K143 HydrophobicContact CB-CG 4.39Å; E141-K143 PolarHBondContact O-N 3.24Å; E141-K143 WeakPolarHBondContact OE1-CE 3.31Å; E141-K143 IonicContact OE1-NZ 3.73Å; E141-K143 PolarHBondContact OE1-NZ 3.06Å; E141-K143 VanDerWaalsContact OE2-CD 3.31Å; E141-K143 WeakPolarHBondContact OE2-CD 3.38Å; E141-K143 VanDerWaalsContact OE2-CE 3.27Å; E141-K143 WeakPolarHBondContact OE2-CE 3.1Å; E141-K143 IonicContact OE2-NZ 3.68Å; E141-K143 PolarHBondContact OE2-NZ 3.05Å |
| 142 | E | 36.3 | Very low | 37.2 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | | | trans | -57.6 | 87.8 | 152.9 | -71 | -177.8 | 146.3 | 0 | 0 | 108.5 | | |
| 143 | K | 43.1 | Very low | 37.5 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 61% | 0.609 | 77% | 0.765 | S | S | * | * | | | trans | -129.4 | 95.7 | 168.9 | -78.2 | -172.5 | -172.3 | 153.5 | 0 | 110.3 | E141 G145 | E141-K143 HydrophobicContact CB-CG 4.39Å; E141-K143 PolarHBondContact O-N 3.24Å; E141-K143 WeakPolarHBondContact OE1-CE 3.31Å; E141-K143 IonicContact OE1-NZ 3.73Å; E141-K143 PolarHBondContact OE1-NZ 3.06Å; E141-K143 VanDerWaalsContact OE2-CD 3.31Å; E141-K143 WeakPolarHBondContact OE2-CD 3.38Å; E141-K143 VanDerWaalsContact OE2-CE 3.27Å; E141-K143 WeakPolarHBondContact OE2-CE 3.1Å; E141-K143 IonicContact OE2-NZ 3.68Å; E141-K143 PolarHBondContact OE2-NZ 3.05Å; K143-G145 PolarHBondContact O-N 2.97Å |
| 144 | K | 38.9 | Very low | 37.7 | Very low | 208 Ų | 208 | 138.2 Ų | 138.2 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | | | trans | 38.1 | 74.3 | 135.2 | -60.9 | -174.3 | 177.7 | -175.4 | 0 | 114.1 | | |
| 145 | G | 36 | Very low | 38 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | | | trans | -61.6 | 142.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K143 T147 | K143-G145 PolarHBondContact O-N 2.97Å; G145-T147 PolarHBondContact O-N 3.45Å |
| 146 | P | 40 | Very low | 38.4 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -60.4 | 127.3 | -175.2 | 23.6 | -32.7 | 0 | 0 | 0 | 111 | I148 | P146-I148 PolarHBondContact O-N 3.49Š|
| 147 | T | 37.4 | Very low | 38.8 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | -61.6 | 99.9 | 168.5 | -47.9 | 0 | 0 | 0 | 0 | 108 | G145 E149 | G145-T147 PolarHBondContact O-N 3.45Å; T147-E149 PolarHBondContact O-N 3.09Å |
| 148 | I | 40 | Very low | 39.4 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -77.7 | 107.4 | 168 | -60.4 | 172.2 | 0 | 0 | 0 | 105.5 | P146 S150 | P146-I148 PolarHBondContact O-N 3.49Å; I148-S150 VanDerWaalsContact C-N 3.32Å; I148-S150 PolarHBondContact O-N 3.04Å |
| 149 | E | 42.6 | Very low | 39.6 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -61.5 | 98.4 | 165.1 | -65.1 | -174.3 | 168.1 | 0 | 0 | 107.3 | T147 E151 | T147-E149 PolarHBondContact O-N 3.09Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E149-E151 PolarHBondContact O-N 3.13Å |
| 150 | S | 48.7 | Very low | 40 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | trans | -72 | 96.9 | 168.9 | 58.7 | 0 | 0 | 0 | 0 | 107.1 | I148 N152 | I148-S150 VanDerWaalsContact C-N 3.32Å; I148-S150 PolarHBondContact O-N 3.04Å; S150-N152 PolarHBondContact O-N 2.83Å; S150-N152 VanDerWaalsContact O-N 3.08Å |
| 151 | E | 45.2 | Very low | 40.1 | Very low | 191 Ų | 191 | 155.8 Ų | 155.8 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | -50.6 | 115.2 | 166.1 | -136.3 | 175.1 | -177.7 | 0 | 0 | 107.9 | E149 D153 | E149-E151 VanDerWaalsContact C-N 3.32Å; E149-E151 PolarHBondContact O-N 3.13Å; E151-D153 PolarHBondContact O-N 3.4Å |
| 152 | N | 38.4 | Very low | 40.4 | Very low | 138 Ų | 138 | 153.5 Ų | 153.5 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -59.5 | 100.7 | 179.6 | -79.5 | -60.3 | 0 | 0 | 0 | 109.4 | S150 T154 | S150-N152 PolarHBondContact O-N 2.83Å; S150-N152 VanDerWaalsContact O-N 3.08Å; N152-T154 HydrophobicContact CB-CG2 4.47Å; N152-T154 PolarHBondContact O-N 3.12Å; N152-T154 PolarHBondContact O-OG1 3.15Å |
| 153 | D | 40.8 | Very low | 40.3 | Very low | 126 Ų | 126 | 150 Ų | 150 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | | | trans | -68.6 | 86.6 | 167.7 | -160.4 | -3.5 | 0 | 0 | 0 | 108.6 | E151 R155 | E151-D153 PolarHBondContact O-N 3.4Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 WeakPolarHBondContact OD1-CD 3.48Å; D153-R155 WeakPolarHBondContact OD1-CG 3.33Å |
| 154 | T | 40.6 | Very low | 40.1 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 16.3 | -177.2 | 24.3 | 0 | 0 | 0 | 0 | 112.9 | N152 | N152-T154 HydrophobicContact CB-CG2 4.47Å; N152-T154 PolarHBondContact O-N 3.12Å; N152-T154 PolarHBondContact O-OG1 3.15Å |
| 155 | R | 42.6 | Very low | 40 | Very low | 220 Ų | 220 | 147 Ų | 147 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -6 | -175.3 | -69.4 | -176.5 | -179.8 | -154.1 | 1.9 | 115.1 | D153 R157 | D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 WeakPolarHBondContact OD1-CD 3.48Å; D153-R155 WeakPolarHBondContact OD1-CG 3.33Å; R155-R157 PolarHBondContact O-N 3.08Å |
| 156 | I | 39.1 | Very low | 39.9 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | | | trans | -97.4 | 64.9 | 172.7 | -43.6 | 179.4 | 0 | 0 | 0 | 109.6 | | |
| 157 | R | 40.1 | Very low | 39.5 | Very low | 225 Ų | 225 | 153 Ų | 153 | 85% | 0.849 | 81% | 0.806 | S | S | * | * | | | trans | -78.6 | 123.5 | 160.2 | -92.2 | -174.8 | 178.1 | 176.1 | 1.5 | 108.2 | R155 V159 | R155-R157 PolarHBondContact O-N 3.08Å; R157-V159 PolarHBondContact O-N 3.09Å |
| 158 | P | 43.6 | Very low | 39.4 | Very low | 103 Ų | 103 | 155.9 Ų | 155.9 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | | | trans | -60.9 | 124.8 | 175.4 | 22.7 | -30.5 | 0 | 0 | 0 | 109.3 | R160 | P158-R160 PolarHBondContact O-N 2.77Š|
| 159 | V | 39.5 | Very low | 38.9 | Very low | 144 Ų | 144 | 160.1 Ų | 160.1 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | | | trans | -60.6 | 89.6 | 163.9 | 176.9 | 0 | 0 | 0 | 0 | 106.1 | R157 E161 | R157-V159 PolarHBondContact O-N 3.09Å; V159-E161 PolarHBondContact O-N 2.87Å |
| 160 | R | 38.8 | Very low | 38.7 | Very low | 223 Ų | 223 | 160.7 Ų | 160.7 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | trans | -64.3 | 120.2 | 168.4 | -94.7 | -178.1 | 166.8 | 133.2 | -3.5 | 107.3 | P158 A162 | P158-R160 PolarHBondContact O-N 2.77Å; R160-A162 PolarHBondContact O-N 3.09Å |
| 161 | E | 38 | Very low | 38.2 | Very low | 194 Ų | 194 | 165.1 Ų | 165.1 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | | | trans | -44.2 | 114.8 | 166.3 | -61.5 | 171.4 | 160.5 | 0 | 0 | 110.1 | V159 | V159-E161 PolarHBondContact O-N 2.87Š|
| 162 | A | 39.6 | Very low | 37.5 | Very low | 97 Ų | 97 | 163.6 Ų | 163.6 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -140 | 69.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | R160 | R160-A162 PolarHBondContact O-N 3.09Š|
| 163 | T | 33.7 | Very low | 37.6 | Very low | 129 Ų | 129 | 168 Ų | 168 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | | | trans | -133 | 141.1 | 157.9 | 48.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 164 | L | 39.2 | Very low | 37.4 | Very low | 171 Ų | 171 | 169.6 Ų | 169.6 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 98.6 | 72 | -176.2 | -50.5 | 174.9 | 0 | 0 | 0 | 115.6 | | |
| 165 | S | 36.6 | Very low | 37.4 | Very low | 114 Ų | 114 | 170.2 Ų | 170.2 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | | | trans | -175.4 | 78.7 | 135.9 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 166 | T | 34.3 | Very low | 37 | Very low | 141 Ų | 141 | 164.4 Ų | 164.4 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | | | trans | -128.3 | 70 | 169.6 | 8.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 167 | N | 31 | Very low | 36.9 | Very low | 164 Ų | 164 | 163.1 Ų | 163.1 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | | | trans | -124.2 | 64 | 159 | -91.5 | -32.3 | 0 | 0 | 0 | 108.6 | | |
| 168 | Q | 35.6 | Very low | 36.7 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | | | trans | -131.3 | 94.8 | 161.7 | -73.4 | -164.6 | 4 | 0 | 0 | 110.5 | | |
| 169 | R | 30 | Very low | 36.4 | Very low | 238 Ų | 238 | 162.9 Ų | 162.9 | 90% | 0.898 | 83% | 0.834 | S | S | * | * | | | trans | -53.7 | 131.8 | 154.2 | -72 | 169.7 | 163.7 | 175.9 | -5.9 | 109.1 | | |
| 170 | K | 37.6 | Very low | 36.3 | Very low | 187 Ų | 187 | 161.4 Ų | 161.4 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | | | | 161.5 | 118.1 | 121.1 | -87.2 | 168.8 | -176.2 | 179.9 | 0 | 111.8 | | |
| 171 | K | 37.2 | Very low | 36.3 | Very low | 189 Ų | 189 | 159 Ų | 159 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | | | trans | 54 | 113.3 | 131.6 | -61.4 | -175.4 | 176.7 | -172.8 | 0 | 119.7 | | |
| 172 | M | 31.6 | Very low | 36.5 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | | | | 59.6 | 112 | 127.9 | -59.2 | -160.9 | 69.8 | 0 | 0 | 119.6 | | |
| 173 | R | 39.6 | Very low | 36.4 | Very low | 232 Ų | 232 | 159.8 Ų | 159.8 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | | | | -154.9 | 118.1 | 128.8 | -106.1 | 172.2 | -165.3 | 164.8 | 3.4 | 108.8 | V175 | R173-V175 PolarHBondContact O-N 3.37Š|
| 174 | N | 38.1 | Very low | 36.6 | Very low | 159 Ų | 159 | 162 Ų | 162 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | -64 | 108.3 | 166.4 | -65.6 | -16.3 | 0 | 0 | 0 | 107.1 | | |
| 175 | V | 38.7 | Very low | 36.5 | Very low | 131 Ų | 131 | 159.9 Ų | 159.9 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -101.9 | 120.1 | 169.6 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | R173 | R173-V175 PolarHBondContact O-N 3.37Š|
| 176 | S | 35.4 | Very low | 36.9 | Very low | 98 Ų | 98 | 161.4 Ų | 161.4 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | | | trans | -54.3 | 138.6 | -175.3 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | T178 | S176-T178 PolarHBondContact O-N 3.19Š|
| 177 | T | 37.1 | Very low | 37.1 | Very low | 135 Ų | 135 | 162.7 Ų | 162.7 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | | | trans | -62 | 106.8 | 167.4 | 45.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 178 | T | 35.2 | Very low | 37.5 | Very low | 122 Ų | 122 | 164 Ų | 164 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -81.3 | 112.1 | 160.9 | 36.5 | 0 | 0 | 0 | 0 | 109.2 | S176 V180 | S176-T178 PolarHBondContact O-N 3.19Å; T178-V180 PolarHBondContact O-N 3.29Å |
| 179 | K | 37.7 | Very low | 37.7 | Very low | 201 Ų | 201 | 161.2 Ų | 161.2 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -64.7 | 108.4 | 167.5 | -69 | 177.4 | 176.8 | 179.9 | 0 | 108.3 | | |
| 180 | V | 37.3 | Very low | 38 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | trans | -91.9 | 108.6 | 167.5 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | T178 N182 | T178-V180 PolarHBondContact O-N 3.29Å; V180-N182 WeakPolarHBondContact CG1-OD1 3.17Å; V180-N182 PolarHBondContact O-N 2.78Å |
| 181 | K | 38.5 | Very low | 38 | Very low | 173 Ų | 173 | 153.9 Ų | 153.9 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | -75.2 | 106.2 | 166.6 | -72.7 | 179.3 | 172.5 | -172.2 | 0 | 106.9 | E183 | K181-E183 PolarHBondContact O-N 3.06Š|
| 182 | N | 41.9 | Very low | 38 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | -88.3 | 99.2 | 162.7 | -74.4 | -6.4 | 0 | 0 | 0 | 106.8 | V180 E184 | V180-N182 WeakPolarHBondContact CG1-OD1 3.17Å; V180-N182 PolarHBondContact O-N 2.78Å; N182-E184 PolarHBondContact O-N 3Å |
| 183 | E | 37.2 | Very low | 38 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -83.5 | 97.6 | 164 | -71.8 | 173.2 | -172.7 | 0 | 0 | 106.3 | K181 | K181-E183 PolarHBondContact O-N 3.06Š|
| 184 | E | 37.8 | Very low | 37.9 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -104.4 | 100.3 | 172.8 | -159.1 | 171.4 | -160.4 | 0 | 0 | 108.3 | N182 I186 | N182-E184 PolarHBondContact O-N 3Å; E184-I186 PolarHBondContact O-N 2.94Å |
| 185 | T | 37.7 | Very low | 37.8 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -75.5 | 107.1 | 178.2 | -42.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 186 | I | 44.8 | Very low | 37.7 | Very low | 147 Ų | 147 | 139 Ų | 139 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | trans | -88.8 | 108 | 170.9 | -58.3 | 174.7 | 0 | 0 | 0 | 107.6 | E184 Q188 | E184-I186 PolarHBondContact O-N 2.94Å; I186-Q188 PolarHBondContact O-N 3.47Å |
| 187 | E | 39.9 | Very low | 37.7 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -62.9 | 109.2 | 171.5 | -68.3 | -178.1 | 161.8 | 0 | 0 | 109.8 | V189 | E187-V189 PolarHBondContact O-N 3.14Å; E187-V189 VanDerWaalsContact O-N 3.13Å |
| 188 | Q | 38.7 | Very low | 37.6 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | -73.9 | 97.5 | 167 | -74.1 | -176.6 | -6.1 | 0 | 0 | 108.6 | I186 G190 | I186-Q188 PolarHBondContact O-N 3.47Å; Q188-G190 PolarHBondContact O-N 3.44Å; Q188-G190 VanDerWaalsContact O-N 3.08Å |
| 189 | V | 40 | Very low | 37.6 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | trans | -70.9 | 100.4 | 167.2 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | E187 E191 | E187-V189 PolarHBondContact O-N 3.14Å; E187-V189 VanDerWaalsContact O-N 3.13Å; V189-E191 PolarHBondContact O-N 3.19Å |
| 190 | G | 35.4 | Very low | 37.5 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -71.7 | 111.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q188 | Q188-G190 PolarHBondContact O-N 3.44Å; Q188-G190 VanDerWaalsContact O-N 3.08Å |
| 191 | E | 37.3 | Very low | 37.2 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | | | trans | -91.9 | 115.6 | 161.4 | -161.5 | 169.4 | -166.7 | 0 | 0 | 108.1 | V189 | V189-E191 PolarHBondContact O-N 3.19Š|
| 192 | A | 37.6 | Very low | 37.1 | Very low | 73 Ų | 73 | 142 Ų | 142 | 60% | 0.603 | 81% | 0.808 | S | S | * | * | | | trans | -102.3 | 132 | -169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 193 | I | 31.2 | Very low | 36.8 | Very low | 158 Ų | 158 | 144 Ų | 144 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | | | trans | 72.3 | 140.4 | 139.6 | -59.2 | 167.4 | 0 | 0 | 0 | 115.4 | | |
| 194 | P | 37.5 | Very low | 36.9 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | | | cis | -136.9 | 159.1 | 33.3 | 19 | 8 | 0 | 0 | 0 | 118.8 | | |
| 195 | V | 36.3 | Very low | 36.9 | Very low | 129 Ų | 129 | 146 Ų | 146 | 78% | 0.782 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 126.9 | 168.8 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 196 | G | 36.7 | Very low | 37.2 | Very low | 77 Ų | 77 | 148.9 Ų | 148.9 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 125.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 197 | Q | 34.7 | Very low | 36.9 | Very low | 178 Ų | 178 | 149 Ų | 149 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 161.8 | -177.8 | -67.7 | 174.3 | -33.2 | 0 | 0 | 113.3 | | |
| 198 | S | 36 | Very low | 36.8 | Very low | 127 Ų | 127 | 151 Ų | 151 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | | | trans | 102.8 | 119.2 | 151.3 | 83.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 199 | G | 34.4 | Very low | 36.9 | Very low | 74 Ų | 74 | 149.3 Ų | 149.3 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | 152.2 | 83 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 200 | N | 35.7 | Very low | 37 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | | | trans | 65.7 | 108.2 | 154.6 | -69.1 | -15.9 | 0 | 0 | 0 | 121.4 | E202 | N200-E202 PolarHBondContact O-N 3.49Š|
| 201 | N | 31.8 | Very low | 37.2 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | -59.3 | 114 | 154.8 | -72.3 | -46.8 | 0 | 0 | 0 | 111.6 | | |
| 202 | E | 35.8 | Very low | 37.5 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | | | trans | -139 | 100.6 | 146.8 | -119.6 | 173.7 | -171.6 | 0 | 0 | 109.4 | N200 | N200-E202 PolarHBondContact O-N 3.49Š|
| 203 | Q | 36.2 | Very low | 37.7 | Very low | 186 Ų | 186 | 153.6 Ų | 153.6 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | | | trans | -3.3 | 113.9 | 158 | -56 | 173.1 | 7.9 | 0 | 0 | 116.6 | | |
| 204 | Q | 38.5 | Very low | 38 | Very low | 179 Ų | 179 | 154.9 Ų | 154.9 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | | | trans | -146.3 | 100.5 | 133.1 | -101.8 | 178.5 | 27.1 | 0 | 0 | 109.3 | F206 | Q204-F206 PolarHBondContact O-N 3.31Š|
| 205 | K | 38.7 | Very low | 37.8 | Very low | 202 Ų | 202 | 151.8 Ų | 151.8 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | | | trans | -68.4 | 107.1 | 159.3 | -78.2 | 175.4 | 172.6 | 178.4 | 0 | 107.5 | | |
| 206 | F | 43.8 | Very low | 38.1 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | | | trans | -136.3 | 140.6 | 151.2 | -85.8 | -77.4 | 0 | 0 | 0 | 110.3 | Q204 | Q204-F206 PolarHBondContact O-N 3.31Š|
| 207 | I | 38.6 | Very low | 38.1 | Very low | 149 Ų | 149 | 154.6 Ų | 154.6 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | | | trans | -75.4 | 146.7 | -157.9 | -73.6 | 154.2 | 0 | 0 | 0 | 110.8 | D209 | I207-D209 PolarHBondContact O-N 3.02Å; I207-D209 VanDerWaalsContact O-N 3.14Å |
| 208 | R | 38 | Very low | 38.4 | Very low | 210 Ų | 210 | 150.3 Ų | 150.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | trans | -54.2 | 106.9 | 165.1 | -75.4 | 171.5 | 171.5 | 163.4 | -1.9 | 110.5 | | |
| 209 | D | 39.8 | Very low | 38.7 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -97.2 | 89.4 | 152.4 | -77.7 | -23 | 0 | 0 | 0 | 108.8 | I207 S211 | I207-D209 PolarHBondContact O-N 3.02Å; I207-D209 VanDerWaalsContact O-N 3.14Å; D209-S211 PolarHBondContact O-N 3.43Å |
| 210 | K | 42.4 | Very low | 38.8 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | trans | -69.8 | 99.2 | 161.1 | -73 | -177.9 | 174.1 | -174.9 | 0 | 107.5 | | |
| 211 | S | 40.4 | Very low | 39.1 | Very low | 95 Ų | 95 | 152.3 Ų | 152.3 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | | | trans | -132.2 | 95.2 | 149.7 | 84.6 | 0 | 0 | 0 | 0 | 108.9 | D209 K213 | D209-S211 PolarHBondContact O-N 3.43Å; S211-K213 PolarHBondContact O-N 2.75Å |
| 212 | A | 43.2 | Very low | 39.5 | Very low | 99 Ų | 99 | 152 Ų | 152 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -65.2 | 82.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 213 | K | 41.6 | Very low | 39.9 | Very low | 188 Ų | 188 | 148.2 Ų | 148.2 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | | | trans | -101 | 80.2 | 153.7 | -73.2 | -173.9 | -179.7 | -179.8 | 0 | 105.4 | S211 G215 | S211-K213 PolarHBondContact O-N 2.75Å; K213-G215 PolarHBondContact O-N 3.02Å |
| 214 | E | 37.5 | Very low | 39.9 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -60.7 | 83.7 | 154.2 | -72.7 | 179.9 | 170.4 | 0 | 0 | 106 | I216 | E214-I216 PolarHBondContact O-N 3.28Š|
| 215 | G | 34.5 | Very low | 39.8 | Very low | 58 Ų | 58 | 141.6 Ų | 141.6 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | | | trans | -61.1 | 108.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 105.1 | K213 V217 | K213-G215 PolarHBondContact O-N 3.02Å; G215-V217 PolarHBondContact O-N 2.98Å |
| 216 | I | 42 | Very low | 39.9 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | | | trans | -57.7 | 95.6 | 162.1 | -61.7 | 167.4 | 0 | 0 | 0 | 104.2 | E214 S218 | E214-I216 PolarHBondContact O-N 3.28Å; I216-S218 PolarHBondContact O-N 3.35Å |
| 217 | V | 37.4 | Very low | 39.6 | Very low | 116 Ų | 116 | 136 Ų | 136 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | | | trans | -69.6 | 87.7 | 165.9 | -179.9 | 0 | 0 | 0 | 0 | 103.6 | G215 N219 | G215-V217 PolarHBondContact O-N 2.98Å; V217-N219 PolarHBondContact O-N 3.35Å |
| 218 | S | 40.1 | Very low | 39.7 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | | | trans | -59.1 | 90.4 | 160.5 | -56 | 0 | 0 | 0 | 0 | 105.3 | I216 E220 | I216-S218 PolarHBondContact O-N 3.35Å; S218-E220 PolarHBondContact O-N 3.33Å |
| 219 | N | 41.8 | Very low | 39.8 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | | | trans | -63.6 | 88.8 | 156.5 | -82.2 | -17.1 | 0 | 0 | 0 | 104.5 | V217 V221 | V217-N219 PolarHBondContact O-N 3.35Å; N219-V221 HydrophobicContact CB-CG2 4.37Å; N219-V221 PolarHBondContact O-N 3.19Å |
| 220 | E | 37.3 | Very low | 39.9 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | | | trans | -59.4 | 82.8 | 155.2 | -69.4 | -174.8 | 173 | 0 | 0 | 105.5 | S218 E222 | S218-E220 PolarHBondContact O-N 3.33Å; E220-E222 PolarHBondContact O-N 3.33Å |
| 221 | V | 40.8 | Very low | 39.7 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | | | trans | -67.8 | 91.8 | 157.7 | 179.7 | 0 | 0 | 0 | 0 | 102.9 | N219 V223 | N219-V221 HydrophobicContact CB-CG2 4.37Å; N219-V221 PolarHBondContact O-N 3.19Å; V221-V223 HydrophobicContact CG1-CG2 4.03Å; V221-V223 PolarHBondContact O-N 3.38Å |
| 222 | E | 41 | Very low | 39.7 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | | | trans | -53.1 | 92.4 | 154.2 | -77 | -172.2 | 157.7 | 0 | 0 | 105.4 | E220 I224 | E220-E222 PolarHBondContact O-N 3.33Å; E222-I224 PolarHBondContact O-N 3.1Å |
| 223 | V | 44.5 | Very low | 39.8 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | | | trans | -64.7 | 92.1 | 159.5 | 179.2 | 0 | 0 | 0 | 0 | 102.7 | V221 C225 | V221-V223 HydrophobicContact CG1-CG2 4.03Å; V221-V223 PolarHBondContact O-N 3.38Å; V223-C225 PolarHBondContact O-N 3.38Å |
| 224 | I | 36.7 | Very low | 39.9 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | trans | -57.7 | 89.3 | 164.3 | -61.3 | 170.4 | 0 | 0 | 0 | 104 | E222 P226 | E222-I224 PolarHBondContact O-N 3.1Å; I224-P226 WeakPolarHBondContact O-CD 3.47Å; I224-P226 VanDerWaalsContact O-N 3.15Å |
| 225 | C | 36 | Very low | 40 | Very low | 83 Ų | 83 | 128.5 Ų | 128.5 | 56% | 0.561 | 73% | 0.726 | S | S | * | * | | | trans | -58.6 | 116.3 | 165.1 | -81.2 | 0 | 0 | 0 | 0 | 104.5 | V223 N227 | V223-C225 PolarHBondContact O-N 3.38Å; C225-N227 PolarHBondContact O-N 3.42Å |
| 226 | P | 41.2 | Very low | 40.3 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | trans | -65.8 | 86.9 | 170.6 | 27.5 | -31.2 | 0 | 0 | 0 | 107.4 | I224 A228 | I224-P226 WeakPolarHBondContact O-CD 3.47Å; I224-P226 VanDerWaalsContact O-N 3.15Å; P226-A228 PolarHBondContact O-N 3.25Å; P226-A228 VanDerWaalsContact O-N 3.15Å |
| 227 | N | 37.7 | Very low | 40.4 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | | | trans | -74 | 21.7 | 161.3 | -87.4 | -15.8 | 0 | 0 | 0 | 110.7 | C225 A229 | C225-N227 PolarHBondContact O-N 3.42Å; N227-A229 PolarHBondContact O-N 3.16Å |
| 228 | A | 40.6 | Very low | 40.4 | Very low | 76 Ų | 76 | 139.4 Ų | 139.4 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | | | trans | -74.9 | 90.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | P226 L230 | P226-A228 PolarHBondContact O-N 3.25Å; P226-A228 VanDerWaalsContact O-N 3.15Å; A228-L230 PolarHBondContact O-N 2.96Å |
| 229 | A | 39.6 | Very low | 40.6 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | trans | -41.9 | 95.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108 | N227 E231 | N227-A229 PolarHBondContact O-N 3.16Å; A229-E231 PolarHBondContact O-N 3.29Å |
| 230 | L | 42.1 | Very low | 40.6 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | | | trans | -60.3 | 92.3 | 160.9 | -88.8 | 150.9 | 0 | 0 | 0 | 104.3 | A228 N232 | A228-L230 PolarHBondContact O-N 2.96Å; L230-N232 PolarHBondContact O-N 3.05Å |
| 231 | E | 38.4 | Very low | 40.8 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -45 | 107.1 | 163.7 | -73.5 | -171.5 | 149.8 | 0 | 0 | 106.5 | A229 P233 | A229-E231 PolarHBondContact O-N 3.29Å; E231-P233 WeakPolarHBondContact O-CD 3.24Å |
| 232 | N | 40.3 | Very low | 41 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | -56.6 | 110 | 174 | -92.4 | -48.6 | 0 | 0 | 0 | 107.7 | L230 F234 | L230-N232 PolarHBondContact O-N 3.05Å; N232-F234 PolarHBondContact O-N 3.13Å |
| 233 | P | 45 | Very low | 41.2 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -74.6 | 6.2 | -179.5 | 27.4 | -25.6 | 0 | 0 | 0 | 112.5 | E231 Q235 | E231-P233 WeakPolarHBondContact O-CD 3.24Å; P233-Q235 PolarHBondContact O-N 2.98Å |
| 234 | F | 43.4 | Very low | 41.1 | Very low | 180 Ų | 180 | 140 Ų | 140 | 79% | 0.789 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -87.8 | 7.2 | -171.6 | -75.7 | -76.2 | 0 | 0 | 0 | 116.1 | N232 | N232-F234 PolarHBondContact O-N 3.13Š|
| 235 | Q | 39.6 | Very low | 41.2 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -100.7 | 7.4 | 177.7 | -69.4 | -162 | 11 | 0 | 0 | 116.1 | P233 K237 | P233-Q235 PolarHBondContact O-N 2.98Å; Q235-K237 VanDerWaalsContact C-N 3.34Å; Q235-K237 PolarHBondContact O-N 2.87Å |
| 236 | K | 41.3 | Very low | 41.6 | Very low | 196 Ų | 196 | 146.1 Ų | 146.1 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | | | trans | -86.1 | 84.4 | 159 | -77.5 | -177.6 | -179.2 | 174.4 | 0 | 108.9 | Q238 | K236-Q238 PolarHBondContact O-N 2.75Š|
| 237 | K | 44.1 | Very low | 41.7 | Very low | 191 Ų | 191 | 149 Ų | 149 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | trans | -57.8 | 88.7 | 159.4 | -70.6 | 179.8 | 179.2 | 177.7 | 0 | 107.6 | Q235 I239 | Q235-K237 VanDerWaalsContact C-N 3.34Å; Q235-K237 PolarHBondContact O-N 2.87Å; K237-I239 PolarHBondContact O-N 3.44Å |
| 238 | Q | 37.8 | Very low | 42.3 | Very low | 166 Ų | 166 | 152.3 Ų | 152.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -66.4 | 104.3 | 162.5 | -106.8 | -177.4 | 1.9 | 0 | 0 | 106.2 | K236 I240 | K236-Q238 PolarHBondContact O-N 2.75Å; Q238-I240 HydrophobicContact CB-CG1 4.3Å; Q238-I240 PolarHBondContact O-N 3.45Å |
| 239 | I | 43.6 | Very low | 42.9 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | trans | -67.6 | 86.4 | 165.7 | -60.5 | 165.9 | 0 | 0 | 0 | 105.2 | K237 K241 | K237-I239 PolarHBondContact O-N 3.44Å; I239-K241 HydrophobicContact CG2-CG 4.45Å; I239-K241 PolarHBondContact O-N 3.44Å; I239-K241 VanDerWaalsContact O-N 3.08Å |
| 240 | I | 42.7 | Very low | 43.7 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 63% | 0.626 | 79% | 0.785 | S | S | * | * | | | trans | -72.2 | 102.3 | 168.9 | -57.3 | 175.4 | 0 | 0 | 0 | 105.2 | Q238 T242 | Q238-I240 HydrophobicContact CB-CG1 4.3Å; Q238-I240 PolarHBondContact O-N 3.45Å; I240-T242 HydrophobicContact CG2-CG2 3.87Å; I240-T242 PolarHBondContact O-N 2.99Å |
| 241 | K | 40.8 | Very low | 44.5 | Very low | 179 Ų | 179 | 157.8 Ų | 157.8 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | | | trans | -66.8 | 89 | 163.1 | -67.2 | 178.5 | 179.4 | -179.5 | 0 | 106.8 | I239 D243 | I239-K241 HydrophobicContact CG2-CG 4.45Å; I239-K241 PolarHBondContact O-N 3.44Å; I239-K241 VanDerWaalsContact O-N 3.08Å; K241-D243 PolarHBondContact O-N 3.35Å |
| 242 | T | 44.4 | Very low | 45.5 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | -78.6 | 111.6 | 161.3 | 45.7 | 0 | 0 | 0 | 0 | 106.9 | I240 G244 | I240-T242 HydrophobicContact CG2-CG2 3.87Å; I240-T242 PolarHBondContact O-N 2.99Å; T242-G244 PolarHBondContact O-N 3.5Å |
| 243 | D | 45.6 | Very low | 46.1 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | trans | -63.3 | 80.5 | 160.6 | -63 | -38.1 | 0 | 0 | 0 | 107 | K241 E245 | K241-D243 PolarHBondContact O-N 3.35Å; D243-E245 PolarHBondContact O-N 3.2Å |
| 244 | G | 41.9 | Very low | 47 | Very low | 63 Ų | 63 | 153 Ų | 153 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | | | trans | -70.2 | 80.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | T242 E246 | T242-G244 PolarHBondContact O-N 3.5Å; G244-E246 PolarHBondContact O-N 3.47Å |
| 245 | E | 40.2 | Very low | 47.6 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | trans | -49.1 | 112.9 | 154.8 | -92.3 | -166.3 | 144.7 | 0 | 0 | 106.4 | D243 Q247 | D243-E245 PolarHBondContact O-N 3.2Å; E245-Q247 PolarHBondContact O-N 3Å |
| 246 | E | 44.3 | Very low | 48.2 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | | | trans | -52.3 | 92.3 | 168.9 | -74.7 | -179 | 142.6 | 0 | 0 | 107.9 | G244 R248 | G244-E246 PolarHBondContact O-N 3.47Å; E246-R248 PolarHBondContact O-N 3.32Å |
| 247 | Q | 43.4 | Very low | 48.6 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | | | trans | -67.7 | 89.1 | 166.7 | -71.6 | -160.5 | -0.2 | 0 | 0 | 106.1 | E245 A249 | E245-Q247 PolarHBondContact O-N 3Å; Q247-A249 PolarHBondContact O-N 3.48Å; Q247-A249 VanDerWaalsContact O-N 3.12Å |
| 248 | R | 49.5 | Very low | 48.8 | Very low | 225 Ų | 225 | 141.3 Ų | 141.3 | 85% | 0.849 | 72% | 0.721 | S | S | * | * | | | trans | -41.3 | 122.6 | 170.7 | -84 | -176.1 | 171.6 | -178.5 | -1.9 | 108 | E246 R250 | E246-R248 PolarHBondContact O-N 3.32Å; R248-R250 PolarHBondContact O-N 3.11Å |
| 249 | A | 52.8 | Low | 48.8 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 79% | 0.793 | 72% | 0.721 | S | S | * | * | | | trans | -43.3 | 115.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q247 | Q247-A249 PolarHBondContact O-N 3.48Å; Q247-A249 VanDerWaalsContact O-N 3.12Å |
| 250 | R | 57.5 | Low | 49 | Very low | 222 Ų | 222 | 144.3 Ų | 144.3 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 127.9 | 177.3 | -76.4 | -177.9 | 178.7 | -166.9 | 0.1 | 107.7 | R248 L252 | R248-R250 PolarHBondContact O-N 3.11Å; R250-L252 PolarHBondContact O-N 3.18Å; R250-L252 VanDerWaalsContact O-N 3.11Å |
| 251 | P | 57.9 | Low | 49.2 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 123 | 175.8 | 20.7 | -29.6 | 0 | 0 | 0 | 108.5 | | |
| 252 | L | 58.8 | Low | 49.3 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 147.1 | 176.2 | -72.6 | 168.2 | 0 | 0 | 0 | 109.3 | R250 S254 | R250-L252 PolarHBondContact O-N 3.18Å; R250-L252 VanDerWaalsContact O-N 3.11Å; L252-S254 PolarHBondContact O-N 3.26Å |
| 253 | P | 54.5 | Low | 49.2 | Very low | 66 Ų | 66 | 145.8 Ų | 145.8 | 43% | 0.429 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 135.8 | 177.9 | -23.5 | 32.3 | 0 | 0 | 0 | 111.6 | W255 Q256 | P253-W255 VanDerWaalsContact CB-CD1 3.43Å; P253-W255 HydrophobicContact CB-CG 4.33Å; P253-W255 VanDerWaalsContact CB-NE1 3.26Å; P253-W255 PolarHBondContact O-N 2.85Å; P253-Q256 PolarHBondContact O-N 2.88Å |
| 254 | S | 62.7 | Low | 48.9 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -18.2 | -175.4 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | L252 | L252-S254 PolarHBondContact O-N 3.26Š|
| 255 | W | 55.9 | Low | 48.7 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 60% | 0.595 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -23.3 | 175.8 | 65.6 | -95.7 | 0 | 0 | 0 | 113.6 | P253 R258 | P253-W255 VanDerWaalsContact CB-CD1 3.43Å; P253-W255 HydrophobicContact CB-CG 4.33Å; P253-W255 VanDerWaalsContact CB-NE1 3.26Å; P253-W255 PolarHBondContact O-N 2.85Å; W255-R258 PolarHBondContact O-N 3.03Å |
| 256 | Q | 52.2 | Low | 48.5 | Very low | 96 Ų | 96 | 145 Ų | 145 | 45% | 0.449 | 74% | 0.736 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.5 | -29.1 | 177.3 | -105.6 | 164.9 | -5.8 | 0 | 0 | 112.7 | P253 R258 | P253-Q256 PolarHBondContact O-N 2.88Å; Q256-R258 VanDerWaalsContact C-N 3.31Å; Q256-R258 PolarHBondContact O-N 3.23Å |
| 257 | G | 49.9 | Very low | 48.3 | Very low | 46 Ų | 46 | 144.1 Ų | 144.1 | 47% | 0.474 | 74% | 0.737 | S | S | . | * | G | 310 helix | trans | -74.7 | -18.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | W259 | G257-W259 PolarHBondContact O-N 2.77Š|
| 258 | R | 48.4 | Very low | 48.1 | Very low | 201 Ų | 201 | 140.5 Ų | 140.5 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -75.9 | -22.9 | -171.8 | -144 | 178 | -135.6 | -139.4 | 2.1 | 113.9 | W255 Q256 | W255-R258 PolarHBondContact O-N 3.03Å; Q256-R258 VanDerWaalsContact C-N 3.31Å; Q256-R258 PolarHBondContact O-N 3.23Å |
| 259 | W | 38.5 | Very low | 47.4 | Very low | 208 Ų | 208 | 138.1 Ų | 138.1 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -82.5 | -15.6 | -179.7 | -65.5 | 82.9 | 0 | 0 | 0 | 113.5 | G257 | G257-W259 PolarHBondContact O-N 2.77Š|
| 260 | Q | 47 | Very low | 46.6 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -19.4 | 175 | -84.5 | -177.9 | -6.8 | 0 | 0 | 113.7 | | |
| 261 | Q | 46.3 | Very low | 45.5 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -84 | -12.3 | -178.2 | -85.8 | -175.3 | -14.9 | 0 | 0 | 114.8 | M263 | Q261-M263 PolarHBondContact O-N 3.41Å; Q261-M263 VanDerWaalsContact O-N 3.16Å |
| 262 | T | 43.7 | Very low | 44.6 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -76.4 | 0.9 | -176.5 | -21.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 263 | M | 42.1 | Very low | 43.3 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -105.5 | 5.7 | -178.7 | -68.3 | -65 | -174.2 | 0 | 0 | 114.8 | Q261 | Q261-M263 PolarHBondContact O-N 3.41Å; Q261-M263 VanDerWaalsContact O-N 3.16Å |
| 264 | Q | 39.2 | Very low | 42.2 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -136.3 | 69 | -176 | -72.7 | -172.7 | -1.9 | 0 | 0 | 113.1 | | |
| 265 | T | 38.5 | Very low | 41 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -160.4 | 57.3 | 152.8 | -12.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 266 | G | 35.5 | Very low | 40 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | | | trans | -103.9 | 91.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | S268 | G266-S268 PolarHBondContact O-N 2.93Å; G266-S268 VanDerWaalsContact O-N 3.15Å |
| 267 | N | 39.3 | Very low | 39.3 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | -65.9 | 102.1 | 166.2 | -79.8 | -10.6 | 0 | 0 | 0 | 108.6 | | |
| 268 | S | 40.8 | Very low | 38.8 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | -163 | 107.5 | 158.2 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | G266 | G266-S268 PolarHBondContact O-N 2.93Å; G266-S268 VanDerWaalsContact O-N 3.15Å |
| 269 | E | 35.1 | Very low | 38.3 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | trans | 36.4 | 105.2 | 140.3 | -75.6 | 160.6 | 141.7 | 0 | 0 | 119.1 | H271 | E269-H271 PolarHBondContact O-N 3.47Å; E269-H271 VanDerWaalsContact O-N 3.12Å |
| 270 | S | 35 | Very low | 38.4 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | | 31.1 | 74.2 | 114.4 | 175.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 271 | H | 35.4 | Very low | 38.3 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | -126.4 | 96.9 | 146.8 | -77.1 | -62.5 | 0 | 0 | 0 | 109.4 | E269 G273 | E269-H271 PolarHBondContact O-N 3.47Å; E269-H271 VanDerWaalsContact O-N 3.12Å; H271-G273 PolarHBondContact O-N 2.9Å |
| 272 | I | 38.6 | Very low | 38 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | | | trans | -57.5 | 122.2 | 166.4 | -73.4 | 159.4 | 0 | 0 | 0 | 108.9 | | |
| 273 | G | 30.2 | Very low | 37.9 | Very low | 64 Ų | 64 | 134.1 Ų | 134.1 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | trans | 64.6 | 93.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | H271 | H271-G273 PolarHBondContact O-N 2.9Š|
| 274 | Q | 31.9 | Very low | 37.5 | Very low | 204 Ų | 204 | 129.4 Ų | 129.4 | 95% | 0.953 | 77% | 0.772 | S | S | * | * | | | trans | -136.1 | 108.7 | 139.2 | -89.3 | -173 | -14.2 | 0 | 0 | 110.1 | | |
| 275 | S | 38.2 | Very low | 37.5 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | -73.3 | 132.2 | 167.9 | 172.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 276 | G | 34.5 | Very low | 37.6 | Very low | 63 Ų | 63 | 132.7 Ų | 132.7 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | trans | 54.7 | 103.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 277 | S | 37.4 | Very low | 38.2 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | 176 | 134.4 | 130.9 | -78.5 | 0 | 0 | 0 | 0 | 109.2 | A279 | S277-A279 VanDerWaalsContact C-N 3.32Å; S277-A279 PolarHBondContact O-N 3.05Å |
| 278 | N | 38.5 | Very low | 38.3 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | trans | -55.9 | 84.6 | 177.5 | -65.8 | -44.1 | 0 | 0 | 0 | 112.2 | F280 | N278-F280 HydrophobicContact CB-CD2 4.06Å; N278-F280 HydrophobicContact CB-CE2 4.13Å; N278-F280 PolarHBondContact O-N 3.46Å |
| 279 | A | 39.8 | Very low | 38.5 | Very low | 76 Ų | 76 | 141 Ų | 141 | 63% | 0.628 | 78% | 0.776 | S | S | * | * | | | trans | -80.3 | 83.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | S277 I281 | S277-A279 VanDerWaalsContact C-N 3.32Å; S277-A279 PolarHBondContact O-N 3.05Å; A279-I281 HydrophobicContact CB-CD1 4.34Å; A279-I281 HydrophobicContact CB-CG1 3.79Å; A279-I281 PolarHBondContact O-N 3.45Å |
| 280 | F | 38.9 | Very low | 39.1 | Very low | 185 Ų | 185 | 141 Ų | 141 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -58 | 78.5 | 150.5 | -77.1 | -95.2 | 0 | 0 | 0 | 106.5 | N278 N282 | N278-F280 HydrophobicContact CB-CD2 4.06Å; N278-F280 HydrophobicContact CB-CE2 4.13Å; N278-F280 PolarHBondContact O-N 3.46Å; F280-N282 PolarHBondContact O-N 3.19Å |
| 281 | I | 45.2 | Very low | 39.4 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | | | trans | -72.6 | 94.5 | 169.5 | -56.5 | -176.7 | 0 | 0 | 0 | 104.2 | A279 N283 | A279-I281 HydrophobicContact CB-CD1 4.34Å; A279-I281 HydrophobicContact CB-CG1 3.79Å; A279-I281 PolarHBondContact O-N 3.45Å; I281-N283 WeakPolarHBondContact CG2-OD1 3.13Å; I281-N283 PolarHBondContact O-N 3.24Å |
| 282 | N | 39.7 | Very low | 39.9 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | trans | -61.3 | 70.9 | 166 | -148.6 | 2.2 | 0 | 0 | 0 | 107 | F280 G284 | F280-N282 PolarHBondContact O-N 3.19Å; N282-G284 PolarHBondContact O-N 3.13Å |
| 283 | N | 41.3 | Very low | 40.2 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | | | trans | -72.4 | 85.3 | 170.8 | -86.8 | -18.7 | 0 | 0 | 0 | 106.1 | I281 Q285 | I281-N283 WeakPolarHBondContact CG2-OD1 3.13Å; I281-N283 PolarHBondContact O-N 3.24Å; N283-Q285 HydrophobicContact CB-CG 4.38Å; N283-Q285 PolarHBondContact O-N 3.21Å |
| 284 | G | 34.8 | Very low | 41.2 | Very low | 75 Ų | 75 | 142.2 Ų | 142.2 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -61.3 | 41.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N282 R286 | N282-G284 PolarHBondContact O-N 3.13Å; G284-R286 PolarHBondContact O-N 3.09Å |
| 285 | Q | 39.4 | Very low | 42.1 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | | | trans | -65.8 | 92.1 | 159.8 | -81 | -170.9 | -15.5 | 0 | 0 | 105.5 | N283 L287 | N283-Q285 HydrophobicContact CB-CG 4.38Å; N283-Q285 PolarHBondContact O-N 3.21Å; Q285-L287 PolarHBondContact O-N 3.08Å |
| 286 | R | 40.9 | Very low | 43 | Very low | 216 Ų | 216 | 138.4 Ų | 138.4 | 82% | 0.815 | 74% | 0.74 | S | S | * | * | | | trans | -22.9 | 109.9 | 150.8 | -172.8 | 177.9 | -175.9 | -178.9 | -0.1 | 107.1 | G284 E288 | G284-R286 PolarHBondContact O-N 3.09Å; R286-E288 PolarHBondContact O-N 2.89Å |
| 287 | L | 46.4 | Very low | 44 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | | | trans | -62.5 | 81.8 | 174.6 | -159.6 | 91.1 | 0 | 0 | 0 | 105.5 | Q285 E289 | Q285-L287 PolarHBondContact O-N 3.08Å; L287-E289 PolarHBondContact O-N 3.13Å |
| 288 | E | 42.5 | Very low | 44.8 | Very low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | | | trans | -56.7 | 114.1 | 168.7 | -83.7 | -167.8 | 162.9 | 0 | 0 | 104.9 | R286 Q290 | R286-E288 PolarHBondContact O-N 2.89Å; E288-Q290 PolarHBondContact O-N 2.99Å |
| 289 | E | 45.8 | Very low | 45.7 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | | | trans | -11.4 | 78.3 | 160.6 | -63.6 | 172.7 | 177.9 | 0 | 0 | 112.1 | L287 K291 | L287-E289 PolarHBondContact O-N 3.13Å; E289-K291 PolarHBondContact O-N 2.67Å |
| 290 | Q | 45.8 | Very low | 46.6 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | | | trans | -70.9 | 92 | 169.8 | -138.6 | -175.5 | 20.8 | 0 | 0 | 102.6 | E288 F292 | E288-Q290 PolarHBondContact O-N 2.99Å; Q290-F292 PolarHBondContact O-N 2.83Å |
| 291 | K | 42.9 | Very low | 47.7 | Very low | 188 Ų | 188 | 127 Ų | 127 | 82% | 0.817 | 67% | 0.673 | S | S | * | * | | | trans | -44.2 | 107.5 | 175.4 | -78.2 | 175.6 | 177.9 | 173.4 | 0 | 105.9 | E289 | E289-K291 PolarHBondContact O-N 2.67Š|
| 292 | F | 44.4 | Very low | 48.7 | Very low | 193 Ų | 193 | 125.8 Ų | 125.8 | 85% | 0.846 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 123.8 | 169.8 | -78.2 | -84.7 | 0 | 0 | 0 | 105.4 | Q290 S294 | Q290-F292 PolarHBondContact O-N 2.83Å; F292-S294 PolarHBondContact O-N 3.07Å |
| 293 | P | 46.5 | Very low | 49.6 | Very low | 83 Ų | 83 | 122.7 Ų | 122.7 | 54% | 0.539 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 126.7 | 178.3 | 24.3 | -33 | 0 | 0 | 0 | 106 | T297 | P293-T297 HydrophobicContact CB-CG2 4.34Š|
| 294 | S | 50.6 | Low | 50.6 | Low | 76 Ų | 76 | 121.6 Ų | 121.6 | 53% | 0.531 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -47.4 | 147 | -175.5 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | F292 E296 T297 | F292-S294 PolarHBondContact O-N 3.07Å; S294-E296 PolarHBondContact O-N 3Å; S294-T297 PolarHBondContact O-N 3.46Å; S294-T297 PolarHBondContact O-OG1 2.99Å |
| 295 | S | 51.5 | Low | 52.1 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -49 | -24.2 | -170.8 | 56.8 | 0 | 0 | 0 | 0 | 115 | A298 A299 | S295-A298 PolarHBondContact O-N 3.39Å; S295-A299 WeakPolarHBondContact O-CB 3.49Å; S295-A299 PolarHBondContact O-N 3.01Å |
| 296 | E | 55.2 | Low | 53.3 | Low | 147 Ų | 147 | 123.8 Ų | 123.8 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.5 | -40 | 172.3 | -69.8 | -173.6 | 155.9 | 0 | 0 | 113 | S294 T300 | S294-E296 PolarHBondContact O-N 3Å; E296-T300 PolarHBondContact O-N 2.99Å; E296-T300 PolarHBondContact O-OG1 3.33Å |
| 297 | T | 56.2 | Low | 54.2 | Low | 59 Ų | 59 | 121.6 Ų | 121.6 | 36% | 0.362 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72 | -39.9 | 179.4 | -22.2 | 0 | 0 | 0 | 0 | 111.6 | P293 S294 A299 T300 L301 | P293-T297 HydrophobicContact CB-CG2 4.34Å; S294-T297 PolarHBondContact O-N 3.46Å; S294-T297 PolarHBondContact O-OG1 2.99Å; T297-A299 VanDerWaalsContact C-N 3.35Å; T297-T300 VanDerWaalsContact CA-OG1 3.3Å; T297-T300 WeakPolarHBondContact CA-OG1 3.47Å; T297-T300 PolarHBondContact O-N 3.05Å; T297-T300 PolarHBondContact O-OG1 3.34Å; T297-T300 VanDerWaalsContact O-OG1 3.07Å; T297-L301 WeakPolarHBondContact O-CB 3.29Å; T297-L301 VanDerWaalsContact O-CG 3.31Å; T297-L301 WeakPolarHBondContact O-CG 3.31Å; T297-L301 PolarHBondContact O-N 3.04Å |
| 298 | A | 55.2 | Low | 54.8 | Low | 52 Ų | 52 | 119.1 Ų | 119.1 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.5 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S295 L302 | S295-A298 PolarHBondContact O-N 3.39Å; A298-L302 WeakPolarHBondContact O-CB 3.21Å; A298-L302 PolarHBondContact O-N 3.16Å |
| 299 | A | 57.4 | Low | 55.3 | Low | 61 Ų | 61 | 115.4 Ų | 115.4 | 50% | 0.504 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.5 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S295 T297 L302 H303 | S295-A299 WeakPolarHBondContact O-CB 3.49Å; S295-A299 PolarHBondContact O-N 3.01Å; T297-A299 VanDerWaalsContact C-N 3.35Å; A299-L302 PolarHBondContact O-N 2.88Å; A299-H303 WeakPolarHBondContact O-CB 3.33Å; A299-H303 PolarHBondContact O-N 3.1Å |
| 300 | T | 57.9 | Low | 55.8 | Low | 78 Ų | 78 | 115.7 Ų | 115.7 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.4 | -45 | 175.4 | 26 | 0 | 0 | 0 | 0 | 111.7 | E296 T297 L302 H303 D304 | E296-T300 PolarHBondContact O-N 2.99Å; E296-T300 PolarHBondContact O-OG1 3.33Å; T297-T300 VanDerWaalsContact CA-OG1 3.3Å; T297-T300 WeakPolarHBondContact CA-OG1 3.47Å; T297-T300 PolarHBondContact O-N 3.05Å; T297-T300 PolarHBondContact O-OG1 3.34Å; T297-T300 VanDerWaalsContact O-OG1 3.07Å; T300-L302 VanDerWaalsContact C-N 3.3Å; T300-L302 PolarHBondContact O-N 3.2Å; T300-H303 PolarHBondContact O-N 3.11Å; T300-D304 PolarHBondContact O-N 2.75Å |
| 301 | L | 61.9 | Low | 56.2 | Low | 107 Ų | 107 | 110.1 Ų | 110.1 | 56% | 0.56 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -57.9 | -41.8 | 174.2 | -74.9 | 168.8 | 0 | 0 | 0 | 112.3 | T297 H303 D304 L305 | T297-L301 WeakPolarHBondContact O-CB 3.29Å; T297-L301 VanDerWaalsContact O-CG 3.31Å; T297-L301 WeakPolarHBondContact O-CG 3.31Å; T297-L301 PolarHBondContact O-N 3.04Å; L301-H303 VanDerWaalsContact C-N 3.3Å; L301-H303 PolarHBondContact O-N 3.2Å; L301-D304 PolarHBondContact O-N 2.66Å; L301-L305 WeakPolarHBondContact O-CB 3.46Å; L301-L305 PolarHBondContact O-N 2.7Å |
| 302 | L | 66.2 | Low | 56.7 | Low | 93 Ų | 93 | 103.2 Ų | 103.2 | 49% | 0.487 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.5 | -34.4 | 176.8 | -143.1 | 83.6 | 0 | 0 | 0 | 112 | A298 A299 T300 R306 | A298-L302 WeakPolarHBondContact O-CB 3.21Å; A298-L302 PolarHBondContact O-N 3.16Å; A299-L302 PolarHBondContact O-N 2.88Å; T300-L302 VanDerWaalsContact C-N 3.3Å; T300-L302 PolarHBondContact O-N 3.2Å; L302-R306 VanDerWaalsContact O-CG 3.29Å; L302-R306 WeakPolarHBondContact O-CG 3.42Å; L302-R306 PolarHBondContact O-N 3.02Å; L302-R306 VanDerWaalsContact O-N 3.13Å |
| 303 | H | 58.9 | Low | 57.1 | Low | 98 Ų | 98 | 98 Ų | 98 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.4 | -37 | 179.5 | -145.6 | -64.7 | 0 | 0 | 0 | 112.2 | A299 T300 L301 R306 R307 | A299-H303 WeakPolarHBondContact O-CB 3.33Å; A299-H303 PolarHBondContact O-N 3.1Å; T300-H303 PolarHBondContact O-N 3.11Å; L301-H303 VanDerWaalsContact C-N 3.3Å; L301-H303 PolarHBondContact O-N 3.2Å; H303-R306 PolarHBondContact O-N 2.79Å; H303-R307 PolarHBondContact O-N 2.99Å |
| 304 | D | 62.1 | Low | 57.4 | Low | 86 Ų | 86 | 100.5 Ų | 100.5 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 175.3 | -74.1 | -17.8 | 0 | 0 | 0 | 111.6 | T300 L301 R306 R307 N308 | T300-D304 PolarHBondContact O-N 2.75Å; L301-D304 PolarHBondContact O-N 2.66Å; D304-R306 VanDerWaalsContact C-N 3.33Å; D304-R306 PolarHBondContact O-N 3Å; D304-R307 PolarHBondContact O-N 3.05Å; D304-N308 WeakPolarHBondContact O-CB 3.46Å; D304-N308 PolarHBondContact O-N 2.8Å; D304-N308 PolarHBondContact O-ND2 3.03Å |
| 305 | L | 65.4 | Low | 57.5 | Low | 112 Ų | 112 | 103.8 Ų | 103.8 | 59% | 0.586 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.6 | -45.1 | 171.8 | -103.1 | 156.9 | 0 | 0 | 0 | 111.9 | L301 R307 N308 V309 | L301-L305 WeakPolarHBondContact O-CB 3.46Å; L301-L305 PolarHBondContact O-N 2.7Å; L305-R307 PolarHBondContact O-N 3.48Å; L305-N308 PolarHBondContact O-N 3.17Å; L305-V309 WeakPolarHBondContact O-CG2 3.31Å; L305-V309 PolarHBondContact O-N 3.09Å |
| 306 | R | 66 | Low | 57.4 | Low | 168 Ų | 168 | 107.5 Ų | 107.5 | 63% | 0.634 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -38.7 | 177.8 | -76.8 | 174.7 | 178.2 | 165.7 | 1.3 | 112.6 | L302 H303 D304 R310 | L302-R306 VanDerWaalsContact O-CG 3.29Å; L302-R306 WeakPolarHBondContact O-CG 3.42Å; L302-R306 PolarHBondContact O-N 3.02Å; L302-R306 VanDerWaalsContact O-N 3.13Å; H303-R306 PolarHBondContact O-N 2.79Å; D304-R306 VanDerWaalsContact C-N 3.33Å; D304-R306 PolarHBondContact O-N 3Å; R306-R310 PolarHBondContact O-N 2.83Å |
| 307 | R | 59.8 | Low | 57.2 | Low | 169 Ų | 169 | 108.8 Ų | 108.8 | 64% | 0.638 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 175.5 | -79.2 | -175.6 | 176.7 | 178.6 | 0.6 | 111.7 | H303 D304 L305 V309 R310 A311 | H303-R307 PolarHBondContact O-N 2.99Å; D304-R307 PolarHBondContact O-N 3.05Å; L305-R307 PolarHBondContact O-N 3.48Å; R307-V309 PolarHBondContact O-N 2.68Å; R307-R310 PolarHBondContact O-N 2.76Å; R307-A311 PolarHBondContact O-N 2.99Å |
| 308 | N | 57.8 | Low | 56.9 | Low | 115 Ų | 115 | 110.6 Ų | 110.6 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.6 | -39.9 | 179.7 | -71 | -19.2 | 0 | 0 | 0 | 112.6 | D304 L305 R310 A311 A312 | D304-N308 WeakPolarHBondContact O-CB 3.46Å; D304-N308 PolarHBondContact O-N 2.8Å; D304-N308 PolarHBondContact O-ND2 3.03Å; L305-N308 PolarHBondContact O-N 3.17Å; N308-R310 VanDerWaalsContact C-N 3.31Å; N308-R310 PolarHBondContact O-N 3.14Å; N308-A311 PolarHBondContact O-N 3.16Å; N308-A312 WeakPolarHBondContact O-CB 3.3Å; N308-A312 PolarHBondContact O-N 3.26Å |
| 309 | V | 54.8 | Low | 56.5 | Low | 83 Ų | 83 | 112 Ų | 112 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -35.7 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | L305 R307 N313 | L305-V309 WeakPolarHBondContact O-CG2 3.31Å; L305-V309 PolarHBondContact O-N 3.09Å; R307-V309 PolarHBondContact O-N 2.68Å; V309-N313 PolarHBondContact O-N 3.1Å; V309-N313 VanDerWaalsContact O-N 3.16Å; V309-N313 PolarHBondContact O-ND2 3.12Å |
| 310 | R | 56 | Low | 56 | Low | 185 Ų | 185 | 112.7 Ų | 112.7 | 70% | 0.698 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.7 | -44.1 | 178.1 | -150.4 | -179.5 | -154 | -177.1 | 5.7 | 111.8 | R306 R307 N308 N313 E314 | R306-R310 PolarHBondContact O-N 2.83Å; R307-R310 PolarHBondContact O-N 2.76Å; N308-R310 VanDerWaalsContact C-N 3.31Å; N308-R310 PolarHBondContact O-N 3.14Å; R310-N313 PolarHBondContact O-N 3.22Å; R310-E314 PolarHBondContact O-N 2.96Å; R310-E314 VanDerWaalsContact O-N 3.1Å |
| 311 | A | 53.9 | Low | 55.5 | Low | 59 Ų | 59 | 114.8 Ų | 114.8 | 49% | 0.488 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R307 N308 N313 E314 Q315 | R307-A311 PolarHBondContact O-N 2.99Å; N308-A311 PolarHBondContact O-N 3.16Å; A311-N313 VanDerWaalsContact C-N 3.33Å; A311-N313 PolarHBondContact O-N 3.11Å; A311-E314 PolarHBondContact O-N 2.9Å; A311-Q315 PolarHBondContact O-N 3.35Å |
| 312 | A | 52.9 | Low | 54.8 | Low | 43 Ų | 43 | 120.6 Ų | 120.6 | 36% | 0.355 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.3 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N308 Q315 Y316 | N308-A312 WeakPolarHBondContact O-CB 3.3Å; N308-A312 PolarHBondContact O-N 3.26Å; A312-Q315 PolarHBondContact O-N 3.02Å; A312-Y316 WeakPolarHBondContact O-CD2 3.35Å; A312-Y316 PolarHBondContact O-N 3.29Å |
| 313 | N | 52.4 | Low | 53.8 | Low | 84 Ų | 84 | 120.2 Ų | 120.2 | 45% | 0.449 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.9 | -37.5 | 179.6 | -82.8 | -36.5 | 0 | 0 | 0 | 113.5 | V309 R310 A311 Q315 Y316 F317 | V309-N313 PolarHBondContact O-N 3.1Å; V309-N313 VanDerWaalsContact O-N 3.16Å; V309-N313 PolarHBondContact O-ND2 3.12Å; R310-N313 PolarHBondContact O-N 3.22Å; A311-N313 VanDerWaalsContact C-N 3.33Å; A311-N313 PolarHBondContact O-N 3.11Å; N313-Q315 PolarHBondContact O-N 2.93Å; N313-Y316 PolarHBondContact O-N 3.07Å; N313-F317 VanDerWaalsContact O-CD2 3.24Å; N313-F317 WeakPolarHBondContact O-CD2 3.34Å; N313-F317 PolarHBondContact O-N 3.14Å |
| 314 | E | 53.8 | Low | 53.2 | Low | 135 Ų | 135 | 123.3 Ų | 123.3 | 63% | 0.631 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.7 | -30.5 | 176.7 | -74.9 | -175.5 | -179 | 0 | 0 | 112.5 | R310 A311 Y316 F317 S318 | R310-E314 PolarHBondContact O-N 2.96Å; R310-E314 VanDerWaalsContact O-N 3.1Å; A311-E314 PolarHBondContact O-N 2.9Å; E314-Y316 VanDerWaalsContact C-N 3.34Å; E314-Y316 PolarHBondContact O-N 3.12Å; E314-F317 PolarHBondContact O-N 2.93Å; E314-S318 PolarHBondContact O-N 3.07Å; E314-S318 PolarHBondContact O-OG 2.99Å; E314-S318 VanDerWaalsContact O-OG 3.14Å |
| 315 | Q | 51.8 | Low | 52.4 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.2 | -31.3 | 175.8 | -141.1 | 176.6 | -3.1 | 0 | 0 | 112.7 | A311 A312 N313 S318 | A311-Q315 PolarHBondContact O-N 3.35Å; A312-Q315 PolarHBondContact O-N 3.02Å; N313-Q315 PolarHBondContact O-N 2.93Å; Q315-S318 PolarHBondContact O-OG 3.08Å |
| 316 | Y | 50.4 | Low | 51.4 | Low | 179 Ų | 179 | 126.9 Ų | 126.9 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.5 | -29.2 | 174.1 | -78.9 | -76.3 | 0 | 0 | 0 | 113.4 | A312 N313 E314 | A312-Y316 WeakPolarHBondContact O-CD2 3.35Å; A312-Y316 PolarHBondContact O-N 3.29Å; N313-Y316 PolarHBondContact O-N 3.07Å; E314-Y316 VanDerWaalsContact C-N 3.34Å; E314-Y316 PolarHBondContact O-N 3.12Å |
| 317 | F | 50.2 | Low | 50.8 | Low | 173 Ų | 173 | 129 Ų | 129 | 76% | 0.759 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -89.2 | -21.4 | -178.9 | -72.8 | -70 | 0 | 0 | 0 | 114.4 | N313 E314 | N313-F317 VanDerWaalsContact O-CD2 3.24Å; N313-F317 WeakPolarHBondContact O-CD2 3.34Å; N313-F317 PolarHBondContact O-N 3.14Å; E314-F317 PolarHBondContact O-N 2.93Å |
| 318 | S | 50.5 | Low | 50.3 | Low | 98 Ų | 98 | 129.7 Ų | 129.7 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82.4 | -24.4 | -178.4 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | E314 Q315 | E314-S318 PolarHBondContact O-N 3.07Å; E314-S318 PolarHBondContact O-OG 2.99Å; E314-S318 VanDerWaalsContact O-OG 3.14Å; Q315-S318 PolarHBondContact O-OG 3.08Å |
| 319 | S | 46.9 | Very low | 50.1 | Low | 82 Ų | 82 | 129.5 Ų | 129.5 | 57% | 0.573 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 16.3 | -179 | 67.3 | 0 | 0 | 0 | 0 | 114.7 | T321 | S319-T321 PolarHBondContact O-N 3.16Å; S319-T321 PolarHBondContact O-OG1 3.11Å; S319-T321 VanDerWaalsContact O-OG1 3.09Å |
| 320 | A | 46.5 | Very low | 49.9 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | | | trans | -72.1 | 52 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R322 | A320-R322 PolarHBondContact O-N 3.4Š|
| 321 | T | 47.9 | Very low | 49.6 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 75% | 0.748 | 68% | 0.678 | S | S | * | * | | | trans | -49.8 | 103.3 | 146.3 | 22.7 | 0 | 0 | 0 | 0 | 106.1 | S319 S323 | S319-T321 PolarHBondContact O-N 3.16Å; S319-T321 PolarHBondContact O-OG1 3.11Å; S319-T321 VanDerWaalsContact O-OG1 3.09Å; T321-S323 PolarHBondContact O-N 3.2Å |
| 322 | R | 46.1 | Very low | 49.5 | Very low | 228 Ų | 228 | 139.2 Ų | 139.2 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | | | trans | -60.9 | 71.9 | 169.3 | -73.8 | 171.6 | 151 | -155.5 | -4.6 | 108.2 | A320 N324 | A320-R322 PolarHBondContact O-N 3.4Å; R322-N324 PolarHBondContact O-N 3.17Å |
| 323 | S | 46.7 | Very low | 49.4 | Very low | 86 Ų | 86 | 141.3 Ų | 141.3 | 60% | 0.601 | 71% | 0.713 | S | S | * | * | | | trans | -61.8 | 136.2 | 163.6 | 62 | 0 | 0 | 0 | 0 | 106.5 | T321 I325 | T321-S323 PolarHBondContact O-N 3.2Å; S323-I325 PolarHBondContact O-N 3.02Å |
| 324 | N | 44.7 | Very low | 49.5 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | | | trans | -63.3 | 68.3 | 177.5 | -93.2 | -32.6 | 0 | 0 | 0 | 110.2 | R322 Q326 | R322-N324 PolarHBondContact O-N 3.17Å; N324-Q326 PolarHBondContact O-N 3.04Å |
| 325 | I | 45.1 | Very low | 49.6 | Very low | 119 Ų | 119 | 144 Ų | 144 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | | | trans | -73.5 | 81.3 | 162.6 | -51 | 177.7 | 0 | 0 | 0 | 104.8 | S323 R327 | S323-I325 PolarHBondContact O-N 3.02Å; I325-R327 HydrophobicContact CG2-CG 3.66Å; I325-R327 PolarHBondContact O-N 3.16Å |
| 326 | Q | 46.2 | Very low | 49.5 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | | | trans | -56.9 | 87.9 | 150.9 | -85 | -179.4 | -17.7 | 0 | 0 | 105.3 | N324 F328 | N324-Q326 PolarHBondContact O-N 3.04Å; Q326-F328 VanDerWaalsContact C-N 3.25Å; Q326-F328 PolarHBondContact O-N 3.37Å |
| 327 | R | 53 | Low | 49.4 | Very low | 213 Ų | 213 | 143.9 Ų | 143.9 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | -61.4 | 102.4 | 164.6 | -70.4 | -174.8 | 178.9 | -177.4 | -1.7 | 104.1 | I325 V329 | I325-R327 HydrophobicContact CG2-CG 3.66Å; I325-R327 PolarHBondContact O-N 3.16Å; R327-V329 PolarHBondContact O-N 2.97Å |
| 328 | F | 49 | Very low | 49.3 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 80% | 0.798 | 72% | 0.717 | S | S | * | * | | | trans | -53.2 | 98.2 | 161 | -82.4 | -92.5 | 0 | 0 | 0 | 105.2 | Q326 P330 | Q326-F328 VanDerWaalsContact C-N 3.25Å; Q326-F328 PolarHBondContact O-N 3.37Å; F328-P330 WeakPolarHBondContact O-CD 3.27Å; F328-P330 VanDerWaalsContact O-N 3.13Å |
| 329 | V | 52.7 | Low | 49.4 | Very low | 112 Ų | 112 | 141 Ų | 141 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | | | trans | -65.4 | 110.2 | 166.2 | 177.6 | 0 | 0 | 0 | 0 | 103 | R327 R331 | R327-V329 PolarHBondContact O-N 2.97Å; V329-R331 PolarHBondContact O-N 3.1Å |
| 330 | P | 51.5 | Low | 49.3 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | | | trans | -54.4 | 122.9 | 174.7 | 21.8 | -30 | 0 | 0 | 0 | 106 | F328 Q332 | F328-P330 WeakPolarHBondContact O-CD 3.27Å; F328-P330 VanDerWaalsContact O-N 3.13Å; P330-Q332 PolarHBondContact O-N 3.08Å |
| 331 | R | 48.9 | Very low | 49.4 | Very low | 245 Ų | 245 | 142.8 Ų | 142.8 | 93% | 0.925 | 72% | 0.716 | S | S | * | * | | | trans | -50.5 | 111.8 | 172.1 | -78.8 | -177.6 | 170.2 | -174.1 | -2.2 | 105.2 | V329 A333 | V329-R331 PolarHBondContact O-N 3.1Å; R331-A333 PolarHBondContact O-N 3.35Å |
| 332 | Q | 52.4 | Low | 48.9 | Very low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 116.1 | -171.4 | -68.1 | -172.3 | -22.2 | 0 | 0 | 107.7 | P330 K334 | P330-Q332 PolarHBondContact O-N 3.08Å; Q332-K334 PolarHBondContact O-N 3.1Å |
| 333 | A | 50.5 | Low | 48.7 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 126 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106 | R331 | R331-A333 PolarHBondContact O-N 3.35Š|
| 334 | K | 54.6 | Low | 49 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 129 | 178.1 | -76.2 | 174.5 | 178.5 | 174.4 | 0 | 107.2 | Q332 H336 | Q332-K334 PolarHBondContact O-N 3.1Å; K334-H336 PolarHBondContact O-N 2.97Å; K334-H336 VanDerWaalsContact O-N 3.09Å |
| 335 | P | 55.3 | Low | 49.5 | Very low | 90 Ų | 90 | 133.7 Ų | 133.7 | 58% | 0.584 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 122.8 | 175.5 | 19.9 | -29.2 | 0 | 0 | 0 | 108.1 | F337 | P335-F337 HydrophobicContact CB-CE2 4.34Å; P335-F337 HydrophobicContact CB-CZ 4.41Å; P335-F337 HydrophobicContact CG-CD2 4.48Å; P335-F337 HydrophobicContact CG-CE2 3.72Å; P335-F337 HydrophobicContact CG-CZ 3.85Å; P335-F337 VanDerWaalsContact O-CD2 3.31Å; P335-F337 WeakPolarHBondContact O-CD2 3.23Å; P335-F337 PolarHBondContact O-N 2.89Å |
| 336 | H | 49.5 | Very low | 49.8 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | | | trans | -66.5 | 101.6 | 170.5 | -72.7 | -79.1 | 0 | 0 | 0 | 106.9 | K334 V338 | K334-H336 PolarHBondContact O-N 2.97Å; K334-H336 VanDerWaalsContact O-N 3.09Å; H336-V338 PolarHBondContact O-N 3.03Å; H336-V338 VanDerWaalsContact O-N 3.17Å |
| 337 | F | 50.1 | Low | 49.7 | Very low | 171 Ų | 171 | 127.9 Ų | 127.9 | 75% | 0.75 | 70% | 0.698 | S | S | * | * | | | trans | -74.2 | 104.6 | 171.4 | -69.5 | -79.3 | 0 | 0 | 0 | 107.8 | P335 N339 | P335-F337 HydrophobicContact CB-CE2 4.34Å; P335-F337 HydrophobicContact CB-CZ 4.41Å; P335-F337 HydrophobicContact CG-CD2 4.48Å; P335-F337 HydrophobicContact CG-CE2 3.72Å; P335-F337 HydrophobicContact CG-CZ 3.85Å; P335-F337 VanDerWaalsContact O-CD2 3.31Å; P335-F337 WeakPolarHBondContact O-CD2 3.23Å; P335-F337 PolarHBondContact O-N 2.89Å; F337-N339 PolarHBondContact O-N 2.84Å |
| 338 | V | 47.3 | Very low | 49.3 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 48% | 0.479 | 69% | 0.688 | S | S | . | * | | | trans | -76.9 | 109.1 | 166.3 | -174.1 | 0 | 0 | 0 | 0 | 106.2 | H336 I340 I350 | H336-V338 PolarHBondContact O-N 3.03Å; H336-V338 VanDerWaalsContact O-N 3.17Å; V338-I340 HydrophobicContact CG1-CG1 4.2Å; V338-I340 PolarHBondContact O-N 3.28Å; V338-I350 HydrophobicContact CG1-CG2 4.18Å |
| 339 | N | 52.7 | Low | 49.1 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | | | trans | -74.1 | 106.3 | 172.7 | -75.4 | -13.6 | 0 | 0 | 0 | 108 | F337 | F337-N339 PolarHBondContact O-N 2.84Š|
| 340 | I | 44.6 | Very low | 48.9 | Very low | 117 Ų | 117 | 120 Ų | 120 | 60% | 0.6 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.2 | 107.5 | 172.3 | -55.4 | 171.4 | 0 | 0 | 0 | 106.7 | V338 I348 | V338-I340 HydrophobicContact CG1-CG1 4.2Å; V338-I340 PolarHBondContact O-N 3.28Å; I340-I348 HydrophobicContact CG2-CG2 4.1Å |
| 341 | S | 47.8 | Very low | 48.9 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 55% | 0.552 | 67% | 0.67 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.6 | 167.9 | 51.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 342 | A | 39.1 | Very low | 48.8 | Very low | 85 Ų | 85 | 112.2 Ų | 112.2 | 70% | 0.702 | 66% | 0.659 | S | S | * | * | | | trans | -89.3 | 112.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 343 | S | 41 | Very low | 48.5 | Very low | 68 Ų | 68 | 114.6 Ų | 114.6 | 48% | 0.476 | 66% | 0.661 | S | S | . | * | | | trans | -91 | 135.2 | 165.2 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | D345 T346 | S343-D345 PolarHBondContact O-N 3.15Å; S343-T346 VanDerWaalsContact O-O 3.08Å |
| 344 | A | 54 | Low | 48.4 | Very low | 102 Ų | 102 | 115.5 Ų | 115.5 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -67.7 | -26.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 345 | D | 54.7 | Low | 48.4 | Very low | 151 Ų | 151 | 111.7 Ų | 111.7 | 81% | 0.807 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -103.6 | -12.7 | -167.9 | -63.2 | -29.2 | 0 | 0 | 0 | 113.9 | S343 | S343-D345 PolarHBondContact O-N 3.15Š|
| 346 | T | 50.4 | Low | 47.8 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 53% | 0.534 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -144.4 | 125.3 | 179.1 | 47 | 0 | 0 | 0 | 0 | 107 | S343 | S343-T346 VanDerWaalsContact O-O 3.08Š|
| 347 | G | 44.5 | Very low | 47.7 | Very low | 65 Ų | 65 | 117.8 Ų | 117.8 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | | | trans | -46.5 | 165.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N349 | G347-N349 PolarHBondContact O-N 3.24Š|
| 348 | I | 44.6 | Very low | 47.6 | Very low | 118 Ų | 118 | 115 Ų | 115 | 61% | 0.605 | 67% | 0.674 | S | S | * | * | | | trans | -50.3 | 105.1 | -173.3 | -56.5 | 168.5 | 0 | 0 | 0 | 111.1 | I340 I350 | I340-I348 HydrophobicContact CG2-CG2 4.1Å; I348-I350 HydrophobicContact CG2-CG1 3.92Å |
| 349 | N | 44.7 | Very low | 47.6 | Very low | 115 Ų | 115 | 117 Ų | 117 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88 | 108.2 | 173.2 | -97.1 | -39 | 0 | 0 | 0 | 109.3 | G347 A351 | G347-N349 PolarHBondContact O-N 3.24Å; N349-A351 PolarHBondContact O-N 3.27Å |
| 350 | I | 47.8 | Very low | 47.3 | Very low | 108 Ų | 108 | 116.2 Ų | 116.2 | 55% | 0.554 | 68% | 0.684 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92 | 93.7 | 176.4 | -53.7 | 177.4 | 0 | 0 | 0 | 108.3 | V338 I348 V352 | V338-I350 HydrophobicContact CG1-CG2 4.18Å; I348-I350 HydrophobicContact CG2-CG1 3.92Å; I350-V352 HydrophobicContact CG2-CG2 4.01Å; I350-V352 PolarHBondContact O-N 3Å |
| 351 | A | 52.4 | Low | 47.5 | Very low | 75 Ų | 75 | 116.1 Ų | 116.1 | 62% | 0.62 | 69% | 0.689 | S | S | * | * | | | trans | -84.4 | 97 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | N349 R353 | N349-A351 PolarHBondContact O-N 3.27Å; A351-R353 PolarHBondContact O-N 3.36Å |
| 352 | V | 46.4 | Very low | 47.5 | Very low | 113 Ų | 113 | 118.6 Ų | 118.6 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | | | trans | -80.6 | 104 | 171.4 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | I350 P354 | I350-V352 HydrophobicContact CG2-CG2 4.01Å; I350-V352 PolarHBondContact O-N 3Å; V352-P354 WeakPolarHBondContact O-CD 3.37Å |
| 353 | R | 45.6 | Very low | 48.1 | Very low | 230 Ų | 230 | 121 Ų | 121 | 87% | 0.868 | 70% | 0.698 | S | S | * | * | | | trans | -78.5 | 118.9 | 170.5 | -105.5 | -177.7 | 174.3 | 178.4 | -1.2 | 109.6 | A351 T355 | A351-R353 PolarHBondContact O-N 3.36Å; R353-T355 PolarHBondContact O-N 3.43Å |
| 354 | P | 48.4 | Very low | 48.6 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | | | trans | -70.8 | 120.9 | 167.9 | 11.9 | -2.5 | 0 | 0 | 0 | 109 | V352 | V352-P354 WeakPolarHBondContact O-CD 3.37Š|
| 355 | T | 54.8 | Low | 48.2 | Very low | 103 Ų | 103 | 127 Ų | 127 | 63% | 0.632 | 70% | 0.704 | S | S | * | * | | | trans | -89.7 | 115 | 166.8 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | R353 | R353-T355 PolarHBondContact O-N 3.43Š|
| 356 | H | 43.9 | Very low | 47.6 | Very low | 252 Ų | 252 | 124.8 Ų | 124.8 | 100% | 1.167 | 70% | 0.695 | S | S | * | * | | | trans | -73.8 | 0 | 169.4 | -75.5 | -71.5 | 0 | 0 | 0 | 112 | | |