| 1 | I | 61 | Low | 56.7 | Low | 212 Ų | 212 | 136.5 Ų | 136.5 | 100% | 1.087 | 66% | 0.664 | S | S | * | * | | | | 0 | -4.7 | 0 | -80.8 | 165 | 0 | 0 | 0 | 113 | | |
| 2 | I | 57.6 | Low | 57 | Low | 131 Ų | 131 | 133.3 Ų | 133.3 | 67% | 0.672 | 65% | 0.651 | S | S | * | * | | | trans | -104 | -26 | -176.3 | -54.1 | 163 | 0 | 0 | 0 | 112.6 | K4 | I2-K4 PolarHBondContact O-N 3.48Š|
| 3 | D | 54.1 | Low | 57.4 | Low | 136 Ų | 136 | 125.8 Ų | 125.8 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.1 | -16.4 | 179.9 | -67 | -82.3 | 0 | 0 | 0 | 116 | | |
| 4 | K | 54.5 | Low | 57.6 | Low | 173 Ų | 173 | 121.5 Ų | 121.5 | 75% | 0.752 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78 | -24 | 178.5 | -78.7 | -161.3 | 159.7 | -137.9 | 0 | 113.6 | I2 | I2-K4 PolarHBondContact O-N 3.48Å |
| 5 | R | 53.3 | Low | 57.8 | Low | 202 Ų | 202 | 121.2 Ų | 121.2 | 76% | 0.762 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.7 | -29.7 | -177.6 | -165 | -151.8 | -70.4 | -176.6 | -4 | 112.8 | | |
| 6 | I | 56.3 | Low | 58.2 | Low | 101 Ų | 101 | 121.5 Ų | 121.5 | 52% | 0.518 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -76.7 | -39.3 | -174.5 | -63.5 | 163.7 | 0 | 0 | 0 | 110.2 | D8 E9 D10 | I6-D8 VanDerWaalsContact C-N 3.29Å; I6-D8 PolarHBondContact O-N 3.11Å; I6-E9 PolarHBondContact O-N 3.07Å; I6-D10 PolarHBondContact O-N 3.35Å |
| 7 | Q | 55.8 | Low | 58.4 | Low | 142 Ų | 142 | 125.5 Ų | 125.5 | 66% | 0.664 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.2 | -32 | 178.6 | -166.5 | 158.8 | 36.8 | 0 | 0 | 113.1 | T11 | Q7-T11 WeakPolarHBondContact O-CB 3.31Å; Q7-T11 PolarHBondContact O-N 2.98Å; Q7-T11 PolarHBondContact O-OG1 2.83Å |
| 8 | D | 55.9 | Low | 58.5 | Low | 103 Ų | 103 | 126.8 Ų | 126.8 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.4 | -36.9 | 177.9 | -69.3 | -45.3 | 0 | 0 | 0 | 112.3 | I6 T11 I12 | I6-D8 VanDerWaalsContact C-N 3.29Å; I6-D8 PolarHBondContact O-N 3.11Å; D8-T11 PolarHBondContact O-N 3.11Å; D8-I12 VanDerWaalsContact O-CG1 3.23Å; D8-I12 WeakPolarHBondContact O-CG1 3.42Å; D8-I12 PolarHBondContact O-N 3.18Å |
| 9 | E | 56.6 | Low | 58.6 | Low | 133 Ų | 133 | 127.2 Ų | 127.2 | 62% | 0.621 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.9 | -43.2 | 177.7 | -96.4 | -76.6 | 98.8 | 0 | 0 | 112.7 | I6 T11 I12 G13 | I6-E9 PolarHBondContact O-N 3.07Å; E9-T11 VanDerWaalsContact C-N 3.26Å; E9-T11 PolarHBondContact O-N 2.95Å; E9-I12 PolarHBondContact O-N 2.81Å; E9-G13 PolarHBondContact O-N 3.31Å |
| 10 | D | 59 | Low | 58.7 | Low | 105 Ų | 105 | 126.8 Ų | 126.8 | 56% | 0.561 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.4 | -30.6 | 176.1 | -72.8 | -63.4 | 0 | 0 | 0 | 112.2 | I6 T14 | I6-D10 PolarHBondContact O-N 3.35Å; D10-T14 WeakPolarHBondContact O-CB 3.45Å; D10-T14 VanDerWaalsContact O-CG2 3.26Å; D10-T14 WeakPolarHBondContact O-CG2 3.35Å; D10-T14 PolarHBondContact O-N 3.04Å; D10-T14 PolarHBondContact O-OG1 3.18Å |
| 11 | T | 59.4 | Low | 58.6 | Low | 64 Ų | 64 | 129.2 Ų | 129.2 | 39% | 0.393 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -76.3 | -31.1 | 177.7 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | Q7 D8 E9 T14 Q15 | Q7-T11 WeakPolarHBondContact O-CB 3.31Å; Q7-T11 PolarHBondContact O-N 2.98Å; Q7-T11 PolarHBondContact O-OG1 2.83Å; D8-T11 PolarHBondContact O-N 3.11Å; E9-T11 VanDerWaalsContact C-N 3.26Å; E9-T11 PolarHBondContact O-N 2.95Å; T11-T14 PolarHBondContact O-OG1 3.44Å; T11-Q15 WeakPolarHBondContact O-CB 3.34Å; T11-Q15 VanDerWaalsContact O-CG 3.24Å; T11-Q15 WeakPolarHBondContact O-CG 3.37Å; T11-Q15 PolarHBondContact O-N 3.23Å; T11-Q15 PolarHBondContact O-NE2 2.95Å |
| 12 | I | 60 | Low | 58.7 | Low | 97 Ų | 97 | 128.3 Ų | 128.3 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.9 | -43.7 | 174.3 | -68.4 | 169.1 | 0 | 0 | 0 | 110.9 | D8 E9 T14 Q15 Q16 | D8-I12 VanDerWaalsContact O-CG1 3.23Å; D8-I12 WeakPolarHBondContact O-CG1 3.42Å; D8-I12 PolarHBondContact O-N 3.18Å; E9-I12 PolarHBondContact O-N 2.81Å; I12-T14 PolarHBondContact O-N 3.34Å; I12-Q15 PolarHBondContact O-N 3.03Å; I12-Q16 WeakPolarHBondContact O-CB 3.24Å; I12-Q16 PolarHBondContact O-N 2.99Å |
| 13 | G | 62.3 | Low | 58.7 | Low | 36 Ų | 36 | 127.2 Ų | 127.2 | 37% | 0.371 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.1 | -37.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E9 R17 | E9-G13 PolarHBondContact O-N 3.31Å; G13-R17 WeakPolarHBondContact O-CB 3.46Å; G13-R17 PolarHBondContact O-N 3.35Å; G13-R17 VanDerWaalsContact O-N 3.08Å |
| 14 | T | 60.6 | Low | 58.7 | Low | 66 Ų | 66 | 128.3 Ų | 128.3 | 41% | 0.405 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76.9 | -26.1 | 176.2 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | D10 T11 I12 R18 | D10-T14 WeakPolarHBondContact O-CB 3.45Å; D10-T14 VanDerWaalsContact O-CG2 3.26Å; D10-T14 WeakPolarHBondContact O-CG2 3.35Å; D10-T14 PolarHBondContact O-N 3.04Å; D10-T14 PolarHBondContact O-OG1 3.18Å; T11-T14 PolarHBondContact O-OG1 3.44Å; I12-T14 PolarHBondContact O-N 3.34Å; T14-R18 PolarHBondContact O-N 2.98Å; T14-R18 PolarHBondContact O-NE 3.34Å; T14-R18 VanDerWaalsContact O-NE 3.09Å |
| 15 | Q | 61.3 | Low | 58.8 | Low | 117 Ų | 117 | 128.3 Ų | 128.3 | 55% | 0.547 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76.6 | -42.6 | 171.5 | -77.2 | -174.5 | 78.2 | 0 | 0 | 111.7 | T11 I12 R17 R18 Q19 | T11-Q15 WeakPolarHBondContact O-CB 3.34Å; T11-Q15 VanDerWaalsContact O-CG 3.24Å; T11-Q15 WeakPolarHBondContact O-CG 3.37Å; T11-Q15 PolarHBondContact O-N 3.23Å; T11-Q15 PolarHBondContact O-NE2 2.95Å; I12-Q15 PolarHBondContact O-N 3.03Å; Q15-R17 PolarHBondContact O-N 3.19Å; Q15-R18 CarbonylContact O-C 3.52Å; Q15-R18 PolarHBondContact O-N 3.12Å; Q15-Q19 PolarHBondContact O-N 3.01Å |
| 16 | Q | 64.3 | Low | 58.4 | Low | 126 Ų | 126 | 126 Ų | 126 | 59% | 0.589 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.5 | -43.8 | 175.9 | -168.7 | 175.8 | 39.8 | 0 | 0 | 111.3 | I12 R18 Q19 I20 | I12-Q16 WeakPolarHBondContact O-CB 3.24Å; I12-Q16 PolarHBondContact O-N 2.99Å; Q16-R18 VanDerWaalsContact C-N 3.26Å; Q16-R18 PolarHBondContact O-N 3.19Å; Q16-Q19 PolarHBondContact O-N 3.1Å; Q16-Q19 VanDerWaalsContact O-N 3.07Å; Q16-I20 WeakPolarHBondContact O-CG1 3.26Å; Q16-I20 PolarHBondContact O-N 3.41Å |
| 17 | R | 61.4 | Low | 58.2 | Low | 189 Ų | 189 | 125.9 Ų | 125.9 | 71% | 0.713 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.7 | -31.5 | 174 | -179.2 | 174.8 | -81.4 | -106.8 | 1.6 | 113.3 | G13 Q15 | G13-R17 WeakPolarHBondContact O-CB 3.46Å; G13-R17 PolarHBondContact O-N 3.35Å; G13-R17 VanDerWaalsContact O-N 3.08Å; Q15-R17 PolarHBondContact O-N 3.19Å |
| 18 | R | 60.4 | Low | 57.8 | Low | 149 Ų | 149 | 125.2 Ų | 125.2 | 56% | 0.562 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -82.6 | -14.3 | 176.2 | -79.8 | -176.7 | -87 | -139 | 2.1 | 113.8 | T14 Q15 Q16 | T14-R18 PolarHBondContact O-N 2.98Å; T14-R18 PolarHBondContact O-NE 3.34Å; T14-R18 VanDerWaalsContact O-NE 3.09Å; Q15-R18 CarbonylContact O-C 3.52Å; Q15-R18 PolarHBondContact O-N 3.12Å; Q16-R18 VanDerWaalsContact C-N 3.26Å; Q16-R18 PolarHBondContact O-N 3.19Å |
| 19 | Q | 59.9 | Low | 57.4 | Low | 135 Ų | 135 | 123.4 Ų | 123.4 | 63% | 0.631 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -88.8 | -25.6 | -179.9 | -153.1 | 170.2 | 3.7 | 0 | 0 | 112.8 | Q15 Q16 F21 R22 V23 | Q15-Q19 PolarHBondContact O-N 3.01Å; Q16-Q19 PolarHBondContact O-N 3.1Å; Q16-Q19 VanDerWaalsContact O-N 3.07Å; Q19-F21 PolarHBondContact O-N 3.25Å; Q19-R22 PolarHBondContact O-N 3.3Å; Q19-V23 PolarHBondContact O-N 2.94Å |
| 20 | I | 60.2 | Low | 57 | Low | 119 Ų | 119 | 128.6 Ų | 128.6 | 61% | 0.61 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -28 | 176.3 | -56.7 | 161.6 | 0 | 0 | 0 | 111.7 | Q16 | Q16-I20 WeakPolarHBondContact O-CG1 3.26Å; Q16-I20 PolarHBondContact O-N 3.41Å |
| 21 | F | 56.5 | Low | 55.9 | Low | 178 Ų | 178 | 129.6 Ų | 129.6 | 78% | 0.781 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 1.7 | 176.4 | -63.8 | -72.8 | 0 | 0 | 0 | 114.4 | Q19 | Q19-F21 PolarHBondContact O-N 3.25Š|
| 22 | R | 62.5 | Low | 55.3 | Low | 192 Ų | 192 | 132.8 Ų | 132.8 | 73% | 0.725 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | -6.2 | 177.4 | -62.8 | -171.4 | -157 | 167.4 | 4.7 | 114.1 | Q19 N24 | Q19-R22 PolarHBondContact O-N 3.3Å; R22-N24 PolarHBondContact O-N 3.49Å; R22-N24 VanDerWaalsContact O-N 3.17Å |
| 23 | V | 59.4 | Low | 54.2 | Low | 109 Ų | 109 | 134.9 Ų | 134.9 | 66% | 0.661 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 88.8 | 171 | 102.1 | 0 | 0 | 0 | 0 | 108.5 | Q19 | Q19-V23 PolarHBondContact O-N 2.94Š|
| 24 | N | 53.9 | Low | 53 | Low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170.9 | 42.6 | 150.9 | -87.5 | 1.3 | 0 | 0 | 0 | 111.1 | R22 | R22-N24 PolarHBondContact O-N 3.49Å; R22-N24 VanDerWaalsContact O-N 3.17Å |
| 25 | K | 55 | Low | 52.1 | Low | 172 Ų | 172 | 142.5 Ų | 142.5 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -136.2 | 104 | 166.8 | -168.3 | 143 | 176.4 | 173.2 | 0 | 105 | | |
| 26 | D | 45.5 | Very low | 51.5 | Low | 155 Ų | 155 | 145.3 Ų | 145.3 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 109.6 | -0.5 | 167.8 | -36.1 | -32.8 | 0 | 0 | 0 | 118.2 | S28 | D26-S28 PolarHBondContact O-N 3.19Š|
| 27 | A | 52.7 | Low | 50.2 | Low | 98 Ų | 98 | 145.4 Ų | 145.4 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | -94.2 | 65 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 28 | S | 47.1 | Very low | 49.4 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | | | trans | -160.2 | 80.4 | 150.6 | -167.6 | 0 | 0 | 0 | 0 | 108.8 | D26 | D26-S28 PolarHBondContact O-N 3.19Š|
| 29 | G | 47.2 | Very low | 48.4 | Very low | 65 Ų | 65 | 141 Ų | 141 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | trans | -143.6 | 106.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 30 | R | 47.5 | Very low | 47.7 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | 92.8 | 85.7 | 157.3 | -45.7 | 177.2 | 99.3 | -149.4 | 3.2 | 116.5 | | |
| 31 | S | 36.5 | Very low | 46.8 | Very low | 126 Ų | 126 | 144 Ų | 144 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | | | trans | -131.7 | 120.4 | 132.4 | 25.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 32 | T | 46.4 | Very low | 45.7 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | trans | -79.5 | 154.9 | -178.5 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 33 | N | 37.5 | Very low | 45.1 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | trans | 102.3 | 94.4 | 148.9 | -151.3 | 70 | 0 | 0 | 0 | 117.7 | | |
| 34 | S | 37.3 | Very low | 43.9 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | | 176.4 | 112.8 | 116.9 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 35 | H | 42.4 | Very low | 43.3 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 73% | 0.731 | 79% | 0.794 | S | S | * | * | | | trans | 30.2 | 119.2 | 140.2 | -62.5 | -93.5 | 0 | 0 | 0 | 122.1 | | |
| 36 | Q | 47.6 | Very low | 42.6 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | 47.5 | 117.8 | 140 | -61.5 | -169.8 | -68.7 | 0 | 0 | 119.6 | | |
| 37 | S | 36.8 | Very low | 42.2 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | | -175.1 | 142.1 | 114.7 | -78.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 38 | S | 44.5 | Very low | 42.1 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -65.8 | 145.2 | -177.8 | -41.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 39 | T | 41 | Very low | 42.4 | Very low | 136 Ų | 136 | 150.8 Ų | 150.8 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | | 151.7 | 120.3 | 115.2 | 51.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 40 | E | 45.3 | Very low | 42.9 | Very low | 196 Ų | 196 | 151.9 Ų | 151.9 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | -41.4 | 127.4 | 161 | 178.7 | -173.4 | 105.9 | 0 | 0 | 112.8 | | |
| 41 | N | 40.2 | Very low | 43.1 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 65% | 0.647 | 79% | 0.788 | S | S | * | * | | | trans | -174.5 | 81.3 | 146.6 | -166.5 | 46.9 | 0 | 0 | 0 | 111.4 | L43 | N41-L43 WeakPolarHBondContact ND2-CD1 3.37Å; N41-L43 PolarHBondContact O-N 3.4Å |
| 42 | E | 34 | Very low | 43.2 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -83.2 | 84 | 161.9 | -74.5 | -159 | 94.4 | 0 | 0 | 109.5 | K44 | E42-K44 PolarHBondContact O-N 3.43Š|
| 43 | L | 49.3 | Very low | 42.7 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | | | trans | -77.3 | 75.4 | 161.2 | -80.4 | 163.9 | 0 | 0 | 0 | 108.9 | N41 Y45 | N41-L43 WeakPolarHBondContact ND2-CD1 3.37Å; N41-L43 PolarHBondContact O-N 3.4Å; L43-Y45 HydrophobicContact CD2-CE2 4.17Å |
| 44 | K | 35.4 | Very low | 42.8 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | trans | -103.2 | 88.5 | 163.5 | -121.1 | 161.6 | 167.8 | 175.6 | 0 | 107.4 | E42 S46 | E42-K44 PolarHBondContact O-N 3.43Å; K44-S46 PolarHBondContact O-N 2.85Å |
| 45 | Y | 39.8 | Very low | 43.1 | Very low | 216 Ų | 216 | 151.1 Ų | 151.1 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -52.4 | 102.7 | 162.3 | -88.7 | -98.9 | 0 | 0 | 0 | 108 | L43 | L43-Y45 HydrophobicContact CD2-CE2 4.17Š|
| 46 | S | 41 | Very low | 43.1 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 129.1 | 161 | -68.1 | 0 | 0 | 0 | 0 | 107.7 | K44 | K44-S46 PolarHBondContact O-N 2.85Š|
| 47 | E | 37.3 | Very low | 43.4 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 144.9 | -179.2 | -80 | 154.7 | 120.2 | 0 | 0 | 113.2 | R49 | E47-R49 PolarHBondContact O-N 3.16Š|
| 48 | P | 51.4 | Low | 43.5 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 117.9 | 179.9 | 29.2 | -31.3 | 0 | 0 | 0 | 109.6 | | |
| 49 | R | 51.9 | Low | 43.2 | Very low | 234 Ų | 234 | 145.7 Ų | 145.7 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.6 | 168.9 | -168.5 | 175.6 | -149.4 | 154.3 | 6.6 | 108.7 | E47 | E47-R49 PolarHBondContact O-N 3.16Š|
| 50 | P | 57.1 | Low | 43.6 | Very low | 88 Ų | 88 | 146.4 Ų | 146.4 | 57% | 0.571 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -73.6 | 133.7 | -178.1 | 31.5 | -32 | 0 | 0 | 0 | 108.5 | | |
| 51 | W | 53.2 | Low | 43.9 | Very low | 226 Ų | 226 | 148.1 Ų | 148.1 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | 77.3 | 97.7 | 177.3 | -47.5 | -56.8 | 0 | 0 | 0 | 116.3 | | |
| 52 | S | 37.7 | Very low | 44.3 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | trans | -129.8 | 98.5 | 134.9 | -66.2 | 0 | 0 | 0 | 0 | 106.6 | T54 | S52-T54 PolarHBondContact O-N 3.18Š|
| 53 | S | 36.8 | Very low | 44.7 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -56.9 | 122.4 | 167 | -58.1 | 0 | 0 | 0 | 0 | 108.4 | D55 | S53-D55 PolarHBondContact O-N 3.09Å; S53-D55 VanDerWaalsContact O-N 3.13Å |
| 54 | T | 39.3 | Very low | 45 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | | | trans | -69.5 | 97.5 | 158.9 | -54.7 | 0 | 0 | 0 | 0 | 107.1 | S52 | S52-T54 PolarHBondContact O-N 3.18Š|
| 55 | D | 44 | Very low | 45.4 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | trans | -103.1 | 100.9 | 148.8 | -165 | -83.8 | 0 | 0 | 0 | 106.4 | S53 | S53-D55 PolarHBondContact O-N 3.09Å; S53-D55 VanDerWaalsContact O-N 3.13Å |
| 56 | S | 42.3 | Very low | 45.6 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -114.7 | 80.5 | 171.4 | -72.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 57 | D | 52.9 | Low | 45.9 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | trans | -97.2 | 105.7 | 154.1 | -168.8 | -93.9 | 0 | 0 | 0 | 108.9 | | |
| 58 | S | 38.8 | Very low | 46 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -162.4 | 108.5 | 154 | -87.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 59 | S | 37.9 | Very low | 45.6 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | | | | 121.5 | 97.8 | 124 | -157.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 60 | L | 50.7 | Low | 45.1 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | | 61.1 | 92 | 128.1 | -59.7 | 171.7 | 0 | 0 | 0 | 117.1 | | |
| 61 | R | 50.1 | Low | 44.4 | Very low | 231 Ų | 231 | 140.7 Ų | 140.7 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | | -171.1 | 121.6 | 114.3 | 38.6 | -141.7 | -163.8 | -161.3 | 4.7 | 112.8 | | |
| 62 | N | 48.9 | Very low | 43.6 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | 61.6 | 114.1 | 167.7 | -65.8 | -82.1 | 0 | 0 | 0 | 115.4 | | |
| 63 | L | 42.1 | Very low | 44.2 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | | | | 163.1 | 101.4 | 119.6 | -94.8 | 95.3 | 0 | 0 | 0 | 108.4 | | |
| 64 | K | 55.5 | Low | 44.7 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | 51 | 118.6 | 148.2 | -147.2 | 147.5 | 73.4 | 171.5 | 0 | 118.5 | A66 | K64-A66 PolarHBondContact O-N 3.41Š|
| 65 | P | 44.9 | Very low | 45.3 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -62.3 | 128 | 167 | 25.5 | -30.3 | 0 | 0 | 0 | 109.7 | V67 | P65-V67 PolarHBondContact O-N 3.36Š|
| 66 | A | 43.5 | Very low | 45.3 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -62.8 | 123 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | K64 T68 | K64-A66 PolarHBondContact O-N 3.41Å; A66-T68 PolarHBondContact O-N 2.85Å; A66-T68 VanDerWaalsContact O-N 3.13Å |
| 67 | V | 47.9 | Very low | 45.4 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -74 | 103.1 | 179 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | P65 K69 | P65-V67 PolarHBondContact O-N 3.36Å; V67-K69 PolarHBondContact O-N 2.63Å |
| 68 | T | 39 | Very low | 45 | Very low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -63.3 | 114.7 | 168.6 | -55.1 | 0 | 0 | 0 | 0 | 108.3 | A66 A70 | A66-T68 PolarHBondContact O-N 2.85Å; A66-T68 VanDerWaalsContact O-N 3.13Å; T68-A70 PolarHBondContact O-N 3.24Å |
| 69 | K | 43.6 | Very low | 45.6 | Very low | 203 Ų | 203 | 136.5 Ų | 136.5 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -66.4 | 86 | 164.6 | -76.5 | -170.4 | 161.3 | 177.6 | 0 | 108.3 | V67 S71 | V67-K69 PolarHBondContact O-N 2.63Å; K69-S71 PolarHBondContact O-N 3.34Å; K69-S71 VanDerWaalsContact O-N 3.16Å |
| 70 | A | 41.1 | Very low | 46 | Very low | 84 Ų | 84 | 137.5 Ų | 137.5 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | | | trans | -68.6 | 106.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | T68 S72 | T68-A70 PolarHBondContact O-N 3.24Å; A70-S72 VanDerWaalsContact C-N 3.35Å; A70-S72 PolarHBondContact O-N 3.18Å |
| 71 | S | 41.4 | Very low | 46.1 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -58.5 | 102.4 | 165.5 | -173.9 | 0 | 0 | 0 | 0 | 107.4 | K69 F73 | K69-S71 PolarHBondContact O-N 3.34Å; K69-S71 VanDerWaalsContact O-N 3.16Å; S71-F73 PolarHBondContact O-N 3.38Å |
| 72 | S | 37.3 | Very low | 46 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | trans | -78.9 | 101.7 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | A70 | A70-S72 VanDerWaalsContact C-N 3.35Å; A70-S72 PolarHBondContact O-N 3.18Å |
| 73 | F | 49.7 | Very low | 45.7 | Very low | 193 Ų | 193 | 132.9 Ų | 132.9 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -97.4 | 122.3 | 149.2 | -173.2 | -101.7 | 0 | 0 | 0 | 106 | S71 | S71-F73 PolarHBondContact O-N 3.38Š|
| 74 | S | 47.6 | Very low | 45.5 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 82.1 | 65.8 | -178.9 | -53.9 | 0 | 0 | 0 | 0 | 117.5 | I76 | S74-I76 PolarHBondContact O-N 3.39Š|
| 75 | G | 51.1 | Low | 44.8 | Very low | 70 Ų | 70 | 127.1 Ų | 127.1 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | | 60.4 | 35.7 | 112.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 76 | I | 43.9 | Very low | 44.6 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -144.7 | 112.4 | 165.8 | -32.4 | 170 | 0 | 0 | 0 | 111.6 | S74 V78 | S74-I76 PolarHBondContact O-N 3.39Å; I76-V78 HydrophobicContact CG2-CG2 4.19Å |
| 77 | S | 44.9 | Very low | 44.3 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -88.2 | 107.8 | 167.9 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 78 | V | 44.5 | Very low | 44 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -99.2 | 91.9 | 165.5 | -169.1 | 0 | 0 | 0 | 0 | 107.6 | I76 T80 | I76-V78 HydrophobicContact CG2-CG2 4.19Å; V78-T80 VanDerWaalsContact C-N 3.31Å; V78-T80 WeakPolarHBondContact CG1-OG1 3.34Å; V78-T80 PolarHBondContact O-N 3.33Å; V78-T80 VanDerWaalsContact O-N 3.12Å |
| 79 | L | 51.8 | Low | 44.3 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | -74.2 | 89.1 | 162.7 | -69 | 171.2 | 0 | 0 | 0 | 107.4 | R81 | L79-R81 VanDerWaalsContact C-N 3.28Å; L79-R81 PolarHBondContact O-N 3.3Å |
| 80 | T | 46.5 | Very low | 44.1 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | | | trans | -79.5 | 85.4 | 171.8 | -43.6 | 0 | 0 | 0 | 0 | 108.9 | V78 G82 | V78-T80 VanDerWaalsContact C-N 3.31Å; V78-T80 WeakPolarHBondContact CG1-OG1 3.34Å; V78-T80 PolarHBondContact O-N 3.33Å; V78-T80 VanDerWaalsContact O-N 3.12Å; T80-G82 PolarHBondContact O-N 3.13Å |
| 81 | R | 51.8 | Low | 43.9 | Very low | 224 Ų | 224 | 129.8 Ų | 129.8 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | 26.4 | 88 | 135.3 | -157.8 | 176.9 | -161.7 | 153.7 | 2 | 114.8 | L79 D83 | L79-R81 VanDerWaalsContact C-N 3.28Å; L79-R81 PolarHBondContact O-N 3.3Å; R81-D83 PolarHBondContact O-N 3.33Å |
| 82 | G | 48.8 | Very low | 43.8 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | -75.5 | 105.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | T80 S84 | T80-G82 PolarHBondContact O-N 3.13Å; G82-S84 PolarHBondContact O-N 3.17Å |
| 83 | D | 43.5 | Very low | 44.4 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | | | trans | -79.6 | 107.4 | 169.6 | 59.9 | -51.1 | 0 | 0 | 0 | 109.5 | R81 S85 | R81-D83 PolarHBondContact O-N 3.33Å; D83-S85 PolarHBondContact O-N 2.79Å |
| 84 | S | 37.8 | Very low | 44.3 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -63.4 | 113.7 | 171.7 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | G82 | G82-S84 PolarHBondContact O-N 3.17Š|
| 85 | S | 40.5 | Very low | 44 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -79.3 | 122.2 | 160.5 | -97 | 0 | 0 | 0 | 0 | 109.9 | D83 | D83-S85 PolarHBondContact O-N 2.79Š|
| 86 | G | 40.9 | Very low | 43.6 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -70 | 149.9 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 87 | S | 36.6 | Very low | 43.3 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | -131.8 | 97 | 154.4 | 167.7 | 0 | 0 | 0 | 0 | 108.2 | K89 | S87-K89 PolarHBondContact O-N 3.25Š|
| 88 | S | 41.4 | Very low | 42.9 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -57.4 | 121.2 | 168.1 | -73.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 89 | K | 45.2 | Very low | 42.5 | Very low | 209 Ų | 209 | 131.6 Ų | 131.6 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | | -153.7 | 126.6 | 126.9 | -68.7 | -157.3 | 179.4 | 170.6 | 0 | 109.7 | S87 | S87-K89 PolarHBondContact O-N 3.25Š|
| 90 | S | 38.7 | Very low | 41.8 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -79.8 | 164.9 | -179 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 91 | I | 38.1 | Very low | 41.2 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | | | trans | 119.7 | 110.8 | 165.3 | -66.2 | 160.3 | 0 | 0 | 0 | 107.7 | | |
| 92 | G | 40.2 | Very low | 40.7 | Very low | 62 Ų | 62 | 126.6 Ų | 126.6 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | | | cis | 171.2 | 168.2 | 3.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 93 | R | 49.3 | Very low | 39.9 | Very low | 219 Ų | 219 | 126.4 Ų | 126.4 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | trans | 83.4 | 104.2 | 159.6 | -55.7 | -165.2 | 77.6 | -172.2 | 1.2 | 116.6 | | |
| 94 | L | 47.1 | Very low | 39.7 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | | | | 59 | 138 | 127.1 | 66.9 | 101.1 | 0 | 0 | 0 | 118.6 | | |
| 95 | S | 41 | Very low | 39.8 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | | | cis | -173.9 | 152.6 | 8.7 | -107.9 | 0 | 0 | 0 | 0 | 109 | | |
| 96 | K | 43 | Very low | 39.6 | Very low | 182 Ų | 182 | 123.1 Ų | 123.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 74.5 | 110.2 | 138.8 | -79.1 | 178.7 | 173 | 177.7 | 0 | 120.2 | | |
| 97 | T | 37.3 | Very low | 39.3 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | | 39.7 | 131.2 | 118.9 | 49.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 98 | G | 37.9 | Very low | 39.3 | Very low | 66 Ų | 66 | 125.1 Ų | 125.1 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | cis | 161.6 | -171.5 | 18.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 99 | S | 35.3 | Very low | 39.3 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | trans | 67 | 99.9 | 152.7 | -68.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 100 | E | 36.3 | Very low | 38.7 | Very low | 165 Ų | 165 | 120.2 Ų | 120.2 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | | | | 90.4 | 115.8 | 77.1 | 83.6 | -162.6 | 112.2 | 0 | 0 | 113.6 | | |
| 101 | S | 35.1 | Very low | 38.6 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | 15.9 | 133.6 | 144.3 | -45.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 102 | S | 40.6 | Very low | 38.6 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | | | trans | 176 | 133.8 | 130.3 | -76 | 0 | 0 | 0 | 0 | 106.9 | | |
| 103 | G | 32.5 | Very low | 38.4 | Very low | 69 Ų | 69 | 121.4 Ų | 121.4 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | cis | 110.3 | 117.3 | 29 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 104 | S | 38.3 | Very low | 37.7 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | 93.2 | 130.5 | 145.2 | -138.5 | 0 | 0 | 0 | 0 | 121 | | |
| 105 | V | 40.7 | Very low | 36.9 | Very low | 141 Ų | 141 | 117.5 Ų | 117.5 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | | | trans | 55.9 | 140.5 | 146.6 | -61.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 106 | G | 35.7 | Very low | 36.5 | Very low | 63 Ų | 63 | 122.1 Ų | 122.1 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | cis | 142.7 | 135.1 | 18.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 107 | S | 34.9 | Very low | 36.1 | Very low | 132 Ų | 132 | 120.2 Ų | 120.2 | 92% | 0.923 | 78% | 0.775 | S | S | * | * | | | trans | 83.1 | 140.3 | 152.7 | -55.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 108 | S | 37.3 | Very low | 36.2 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -88.2 | -170.8 | -171.2 | -45.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 109 | T | 41.7 | Very low | 36 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | | | trans | 80.1 | 138.8 | 167.3 | 55.5 | 0 | 0 | 0 | 0 | 116 | | |
| 110 | G | 32.1 | Very low | 36.6 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | cis | 156.6 | 150.1 | 3.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 111 | S | 35.8 | Very low | 36.2 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | 87.6 | 110.6 | 153 | -133.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 112 | L | 39.6 | Very low | 36 | Very low | 154 Ų | 154 | 120.5 Ų | 120.5 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | | 29.3 | 134.4 | 126 | -53.9 | 173.2 | 0 | 0 | 0 | 121.4 | | |
| 113 | S | 34 | Very low | 35.3 | Very low | 110 Ų | 110 | 119.4 Ų | 119.4 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | | 170.1 | 145.3 | 106.2 | -74.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 114 | H | 35.7 | Very low | 35.2 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | 92.3 | 104.4 | 137.7 | -104.4 | -89 | 0 | 0 | 0 | 124.1 | | |
| 115 | T | 31 | Very low | 34.8 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 63% | 0.632 | 79% | 0.79 | S | S | * | * | | | trans | 38.6 | 134.7 | 131.3 | 67.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 116 | Q | 31.3 | Very low | 34.3 | Very low | 190 Ų | 190 | 126.2 Ų | 126.2 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | | 168.1 | 137.6 | 91.7 | -163.7 | 168.7 | 98.4 | 0 | 0 | 111.3 | | |
| 117 | Q | 34.5 | Very low | 33.9 | Very low | 143 Ų | 143 | 128 Ų | 128 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | | | trans | -87.1 | 165.9 | 175.8 | -117.6 | -150.4 | -16.2 | 0 | 0 | 112.3 | | |
| 118 | P | 40.5 | Very low | 33.6 | Very low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | | -144.2 | 153.7 | 107.3 | 24.1 | -2.3 | 0 | 0 | 0 | 116.5 | | |
| 119 | L | 33.6 | Very low | 33.3 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | trans | -78.5 | -175.7 | 168.5 | -117.4 | 74.4 | 0 | 0 | 0 | 111.5 | | |
| 120 | P | 46.8 | Very low | 32.7 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | cis | -140.5 | 174.7 | 6.8 | 34 | -11.2 | 0 | 0 | 0 | 116.7 | | |
| 121 | G | 27.6 | Very low | 32.7 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | | | trans | 171.2 | 108.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 122 | S | 30.8 | Very low | 32.9 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | -72.3 | 147.8 | 175.3 | -63.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 123 | A | 26.4 | Very low | 32.5 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | 179.9 | 155.2 | 133.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 124 | L | 31.4 | Very low | 32.7 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -70.9 | 167.4 | -172.3 | -79.4 | 93.5 | 0 | 0 | 0 | 116.6 | | |
| 125 | S | 29 | Very low | 32.4 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | 100.2 | 110.2 | 141.5 | -75.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 126 | Q | 30.3 | Very low | 32.7 | Very low | 193 Ų | 193 | 131.2 Ų | 131.2 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | 44.9 | 143.8 | 133.8 | -77.3 | -171.6 | -10 | 0 | 0 | 123.5 | | |
| 127 | S | 27.5 | Very low | 32.7 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | 105.5 | 97.8 | 142.8 | 165.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 128 | S | 28.7 | Very low | 32.6 | Very low | 88 Ų | 88 | 124.6 Ų | 124.6 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | | | | 81.8 | 138.2 | 122.6 | -62.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 129 | H | 31.6 | Very low | 32.1 | Very low | 190 Ų | 190 | 124.3 Ų | 124.3 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | | | trans | 79.8 | 128.3 | 162.5 | -45 | -67.3 | 0 | 0 | 0 | 116 | | |
| 130 | G | 29.4 | Very low | 32.1 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | cis | 175.6 | 135.9 | 0.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 131 | A | 31.8 | Very low | 31.4 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | -126 | 135.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 132 | P | 38.9 | Very low | 31.6 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 128.4 | -179.9 | 29.8 | -31.4 | 0 | 0 | 0 | 111.4 | | |
| 133 | V | 32.2 | Very low | 31.7 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127.6 | 170 | 170.5 | 0 | 0 | 0 | 0 | 109.4 | Y135 | V133-Y135 HydrophobicContact CG1-CD2 4.38Å; V133-Y135 HydrophobicContact CG1-CE2 4.26Å |
| 134 | I | 37.3 | Very low | 32.2 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 80% | 0.795 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 117.8 | 165.4 | -63.1 | -72 | 0 | 0 | 0 | 107.6 | | |
| 135 | Y | 30.5 | Very low | 32.4 | Very low | 203 Ų | 203 | 128 Ų | 128 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79 | 133.3 | 171.1 | -69.1 | -90.9 | 0 | 0 | 0 | 110.5 | V133 | V133-Y135 HydrophobicContact CG1-CD2 4.38Å; V133-Y135 HydrophobicContact CG1-CE2 4.26Å |
| 136 | P | 37.4 | Very low | 32.7 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 127.6 | 155.2 | -6.1 | 24.4 | 0 | 0 | 0 | 109.2 | A138 | P136-A138 PolarHBondContact O-N 3.07Š|
| 137 | A | 31.1 | Very low | 33.3 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 129.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | S139 | A137-S139 PolarHBondContact O-N 3.04Š|
| 138 | A | 31.6 | Very low | 33.6 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -63.8 | 115.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | P136 | P136-A138 PolarHBondContact O-N 3.07Š|
| 139 | S | 30.1 | Very low | 34.1 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | trans | -107.7 | 118.1 | 163 | -169.9 | 0 | 0 | 0 | 0 | 107.9 | A137 | A137-S139 PolarHBondContact O-N 3.04Š|
| 140 | N | 34.1 | Very low | 34.7 | Very low | 133 Ų | 133 | 125.5 Ų | 125.5 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -78.7 | 132.7 | -174.5 | -88 | 20.2 | 0 | 0 | 0 | 112.1 | | |
| 141 | H | 32.3 | Very low | 35.3 | Very low | 177 Ų | 177 | 127.4 Ų | 127.4 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | | | trans | 76.9 | 136.5 | 162.1 | -74.5 | -120 | 0 | 0 | 0 | 118.5 | | |
| 142 | S | 31.6 | Very low | 35.5 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | cis | -162 | 109.6 | -7.9 | 48.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 143 | S | 33.5 | Very low | 35.6 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -92.6 | 112.8 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | S145 | S143-S145 PolarHBondContact O-N 3.29Š|
| 144 | L | 36.5 | Very low | 35.6 | Very low | 173 Ų | 173 | 129 Ų | 129 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | trans | -78.1 | 94.7 | 165.8 | -67 | 174.9 | 0 | 0 | 0 | 107.8 | F146 | L144-F146 PolarHBondContact O-N 3.45Š|
| 145 | S | 35.2 | Very low | 35.4 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -75.9 | 114.6 | 162.8 | -68.8 | 0 | 0 | 0 | 0 | 108.1 | S143 D147 | S143-S145 PolarHBondContact O-N 3.29Å; S145-D147 PolarHBondContact O-N 2.86Å |
| 146 | F | 34.6 | Very low | 35.5 | Very low | 194 Ų | 194 | 122.2 Ų | 122.2 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | -82.3 | 103.5 | 165.8 | -164.2 | -96.2 | 0 | 0 | 0 | 107.8 | L144 G148 | L144-F146 PolarHBondContact O-N 3.45Å; F146-G148 PolarHBondContact O-N 3.07Å |
| 147 | D | 43 | Very low | 35.4 | Very low | 155 Ų | 155 | 121.6 Ų | 121.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | trans | -72.1 | 108.5 | 165.2 | -172.7 | -106.3 | 0 | 0 | 0 | 107.8 | S145 | S145-D147 PolarHBondContact O-N 2.86Š|
| 148 | G | 34 | Very low | 35.7 | Very low | 55 Ų | 55 | 122 Ų | 122 | 57% | 0.567 | 79% | 0.786 | S | S | * | * | | | trans | -134.1 | 85.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | F146 | F146-G148 PolarHBondContact O-N 3.07Š|
| 149 | G | 40.2 | Very low | 35.8 | Very low | 59 Ų | 59 | 121.7 Ų | 121.7 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | | | trans | -52 | 144.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 150 | L | 43.8 | Very low | 35.9 | Very low | 162 Ų | 162 | 120.8 Ų | 120.8 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | | -157.3 | 145.6 | 51.8 | -33.6 | 95.7 | 0 | 0 | 0 | 109.6 | | |
| 151 | S | 41 | Very low | 36 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | 56.2 | 115.7 | 156.4 | 58.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 152 | G | 35.8 | Very low | 36.2 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 147.4 | 102.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 153 | Q | 42.9 | Very low | 36.8 | Very low | 213 Ų | 213 | 123.7 Ų | 123.7 | 100% | 0.995 | 77% | 0.773 | S | S | * | * | | | trans | -57.9 | 128.4 | 170.5 | -106.9 | 146.6 | 46.9 | 0 | 0 | 112 | | |
| 154 | G | 31.6 | Very low | 37.3 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | trans | -169.8 | 116.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | S156 | G154-S156 PolarHBondContact O-N 3.45Š|
| 155 | A | 33.6 | Very low | 37.7 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 131.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P157 | A155-P157 VanDerWaalsContact O-CD 3.3Å; A155-P157 WeakPolarHBondContact O-CD 3.41Å |
| 156 | S | 32 | Very low | 38.7 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 117.6 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | G154 S158 | G154-S156 PolarHBondContact O-N 3.45Å; S156-S158 PolarHBondContact O-N 3.26Å |
| 157 | P | 34.6 | Very low | 39.6 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 118.7 | 158.8 | 29.6 | -29.2 | 0 | 0 | 0 | 107.3 | A155 T159 | A155-P157 VanDerWaalsContact O-CD 3.3Å; A155-P157 WeakPolarHBondContact O-CD 3.41Å; P157-T159 PolarHBondContact O-N 3.43Å |
| 158 | S | 37.2 | Very low | 39.9 | Very low | 108 Ų | 108 | 115.6 Ų | 115.6 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | trans | -55.6 | 97.9 | 174.2 | -165.3 | 0 | 0 | 0 | 0 | 110 | S156 | S156-S158 PolarHBondContact O-N 3.26Š|
| 159 | T | 33.5 | Very low | 41.1 | Very low | 89 Ų | 89 | 115.5 Ų | 115.5 | 55% | 0.546 | 72% | 0.718 | S | S | . | * | | | trans | -88.7 | 102 | 160.8 | 53.5 | 0 | 0 | 0 | 0 | 106.5 | P157 F161 | P157-T159 PolarHBondContact O-N 3.43Å; T159-F161 VanDerWaalsContact C-N 3.31Å; T159-F161 WeakPolarHBondContact O-CD2 3.43Å; T159-F161 PolarHBondContact O-N 3.02Å; T159-F161 WeakPolarHBondContact OG1-CE2 3.23Å; T159-F161 WeakPolarHBondContact OG1-CZ 3.32Å |
| 160 | S | 33.4 | Very low | 42.5 | Very low | 101 Ų | 101 | 116.2 Ų | 116.2 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | trans | -58.6 | 95.7 | 167.6 | -54.8 | 0 | 0 | 0 | 0 | 108.7 | L162 | S160-L162 VanDerWaalsContact C-N 3.35Å; S160-L162 PolarHBondContact O-N 3.08Å |
| 161 | F | 36.3 | Very low | 44.4 | Very low | 167 Ų | 167 | 111.3 Ų | 111.3 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | | | trans | -72.6 | 97.9 | 163.9 | -63.6 | -78.8 | 0 | 0 | 0 | 106.5 | T159 L163 | T159-F161 VanDerWaalsContact C-N 3.31Å; T159-F161 WeakPolarHBondContact O-CD2 3.43Å; T159-F161 PolarHBondContact O-N 3.02Å; T159-F161 WeakPolarHBondContact OG1-CE2 3.23Å; T159-F161 WeakPolarHBondContact OG1-CZ 3.32Å; F161-L163 HydrophobicContact CB-CD1 3.91Å; F161-L163 PolarHBondContact O-N 2.91Å |
| 162 | L | 35.9 | Very low | 46.4 | Very low | 150 Ų | 150 | 109.2 Ų | 109.2 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | | | trans | -67.7 | 88.8 | 161.3 | -67.2 | 172.5 | 0 | 0 | 0 | 106.6 | S160 L164 | S160-L162 VanDerWaalsContact C-N 3.35Å; S160-L162 PolarHBondContact O-N 3.08Å; L162-L164 HydrophobicContact CB-CD1 4.47Å; L162-L164 PolarHBondContact O-N 3.28Å |
| 163 | L | 43.5 | Very low | 48.8 | Very low | 156 Ų | 156 | 109.6 Ų | 109.6 | 82% | 0.817 | 67% | 0.671 | S | S | * | * | | | trans | -69.6 | 80.7 | 156.6 | -85.8 | 87.3 | 0 | 0 | 0 | 106.5 | F161 | F161-L163 HydrophobicContact CB-CD1 3.91Å; F161-L163 PolarHBondContact O-N 2.91Å |
| 164 | L | 43.9 | Very low | 50.9 | Low | 106 Ų | 106 | 101.9 Ų | 101.9 | 56% | 0.555 | 65% | 0.649 | S | S | * | * | | | trans | -58.3 | 130 | 158.7 | -77.1 | 141.6 | 0 | 0 | 0 | 106.4 | L162 L166 T169 | L162-L164 HydrophobicContact CB-CD1 4.47Å; L162-L164 PolarHBondContact O-N 3.28Å; L164-L166 PolarHBondContact O-N 3.25Å; L164-L166 VanDerWaalsContact O-N 3.15Å; L164-T169 HydrophobicContact CB-CG2 4.35Å |
| 165 | P | 46.7 | Very low | 53.7 | Low | 90 Ų | 90 | 99.9 Ų | 99.9 | 58% | 0.584 | 62% | 0.623 | S | S | * | * | | | trans | -48 | 127.1 | 167.8 | -24.8 | 33.2 | 0 | 0 | 0 | 108.2 | E167 A168 | P165-E167 PolarHBondContact O-N 2.85Å; P165-A168 PolarHBondContact O-N 3.21Å |
| 166 | L | 54.6 | Low | 56.6 | Low | 108 Ų | 108 | 99.2 Ų | 99.2 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -8.2 | -178.7 | -144.1 | 62.7 | 0 | 0 | 0 | 112.2 | L164 Y196 | L164-L166 PolarHBondContact O-N 3.25Å; L164-L166 VanDerWaalsContact O-N 3.15Å; L166-Y196 HydrophobicContact CD1-CE2 4.36Å; L166-Y196 HydrophobicContact CD2-CD2 4.42Å; L166-Y196 HydrophobicContact CD2-CE2 3.52Å; L166-Y196 HydrophobicContact CG-CE2 3.63Å; L166-Y196 PolarHBondContact O-OH 2.89Å |
| 167 | E | 53.2 | Low | 59.4 | Low | 194 Ų | 194 | 96.3 Ų | 96.3 | 91% | 0.907 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -14.4 | 168.9 | -72.3 | -156.5 | 98.6 | 0 | 0 | 114.3 | P165 | P165-E167 PolarHBondContact O-N 2.85Š|
| 168 | A | 49.9 | Very low | 62.3 | Low | 71 Ų | 71 | 96.1 Ų | 96.1 | 59% | 0.587 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -108.2 | -4.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P165 G170 | P165-A168 PolarHBondContact O-N 3.21Å; A168-G170 VanDerWaalsContact C-N 3.31Å; A168-G170 PolarHBondContact O-N 2.82Å |
| 169 | T | 58.8 | Low | 64.7 | Low | 54 Ų | 54 | 92.7 Ų | 92.7 | 33% | 0.331 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -82 | -5.1 | -178.1 | 40.2 | 0 | 0 | 0 | 0 | 113.9 | L164 I171 | L164-T169 HydrophobicContact CB-CG2 4.35Å; T169-I171 HydrophobicContact CG2-CD1 4.37Å; T169-I171 PolarHBondContact O-N 3.31Å |
| 170 | G | 71.1 | Confident | 67.3 | Low | 73 Ų | 73 | 94.1 Ų | 94.1 | 75% | 0.753 | 56% | 0.556 | S | S | * | * | | | trans | 56.8 | 14.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A168 P172 | A168-G170 VanDerWaalsContact C-N 3.31Å; A168-G170 PolarHBondContact O-N 2.82Å; G170-P172 VanDerWaalsContact O-CD 3.27Å; G170-P172 WeakPolarHBondContact O-CD 3.44Å |
| 171 | I | 82.4 | Confident | 70 | Confident | 59 Ų | 59 | 97.8 Ų | 97.8 | 30% | 0.303 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 116 | -179.3 | -63.8 | 168.5 | 0 | 0 | 0 | 105.8 | T169 S175 Y196 | T169-I171 HydrophobicContact CG2-CD1 4.37Å; T169-I171 PolarHBondContact O-N 3.31Å; I171-S175 VanDerWaalsContact CG2-CB 3.47Å; I171-Y196 HydrophobicContact CB-CD1 4.07Å; I171-Y196 HydrophobicContact CB-CE1 4.2Å; I171-Y196 HydrophobicContact CG2-CD1 3.59Å; I171-Y196 HydrophobicContact CG2-CE1 4.23Å; I171-Y196 HydrophobicContact CG2-CG 3.95Å; I171-Y196 WeakPolarHBondContact O-CE1 3.35Å |
| 172 | P | 82.9 | Confident | 72.6 | Confident | 81 Ų | 81 | 93.9 Ų | 93.9 | 53% | 0.526 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 145.4 | -179.2 | 22.7 | -27.1 | 0 | 0 | 0 | 110 | G170 G174 S175 | G170-P172 VanDerWaalsContact O-CD 3.27Å; G170-P172 WeakPolarHBondContact O-CD 3.44Å; P172-G174 PolarHBondContact O-N 3.36Å; P172-S175 VanDerWaalsContact CD-OG 3.28Å; P172-S175 WeakPolarHBondContact CD-OG 3.3Å; P172-S175 VanDerWaalsContact CG-OG 3.3Å; P172-S175 WeakPolarHBondContact CG-OG 3.32Å; P172-S175 VanDerWaalsContact O-CB 3.3Å; P172-S175 WeakPolarHBondContact O-CB 3.16Å; P172-S175 PolarHBondContact O-N 3.26Å; P172-S175 PolarHBondContact O-OG 3.04Å |
| 173 | P | 86.8 | Confident | 75.3 | Confident | 86 Ų | 86 | 89.2 Ų | 89.2 | 56% | 0.558 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 140.7 | 169.5 | -23.9 | 33.2 | 0 | 0 | 0 | 110.8 | P198 | P173-P198 HydrophobicContact CB-CG 4.48Å; P173-P198 HydrophobicContact CG-CG 3.94Å |
| 174 | G | 86.6 | Confident | 77.7 | Confident | 52 Ų | 52 | 87.7 Ų | 87.7 | 54% | 0.536 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | -2.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P172 V195 Y196 | P172-G174 PolarHBondContact O-N 3.36Å; G174-V195 VanDerWaalsContact CA-CG1 3.44Å; G174-Y196 PolarHBondContact N-O 3.17Å |
| 175 | S | 91.4 | Very high | 80.1 | Confident | 29 Ų | 29 | 84.9 Ų | 84.9 | 20% | 0.203 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 137.8 | 177 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | I171 P172 V195 Y196 | I171-S175 VanDerWaalsContact CG2-CB 3.47Å; P172-S175 VanDerWaalsContact CD-OG 3.28Å; P172-S175 WeakPolarHBondContact CD-OG 3.3Å; P172-S175 VanDerWaalsContact CG-OG 3.3Å; P172-S175 WeakPolarHBondContact CG-OG 3.32Å; P172-S175 VanDerWaalsContact O-CB 3.3Å; P172-S175 WeakPolarHBondContact O-CB 3.16Å; P172-S175 PolarHBondContact O-N 3.26Å; P172-S175 PolarHBondContact O-OG 3.04Å; S175-V195 CarbonylContact O-C 3.56Å; S175-V195 WeakPolarHBondContact O-CA 3.43Å; S175-Y196 WeakPolarHBondContact O-CB 3.45Å; S175-Y196 PolarHBondContact O-N 3.46Å |
| 176 | I | 93.6 | Very high | 82.2 | Confident | 89 Ų | 89 | 85 Ų | 85 | 46% | 0.456 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 131.6 | 171.1 | -64.7 | 167.9 | 0 | 0 | 0 | 109.3 | P185 P193 V194 V195 | I176-P185 HydrophobicContact CG2-CB 3.71Å; I176-P193 HydrophobicContact CD1-CB 4.33Å; I176-P193 HydrophobicContact CD1-CG 4.23Å; I176-P193 HydrophobicContact CG1-CB 4.36Å; I176-P193 HydrophobicContact CG2-CB 3.78Å; I176-V194 WeakPolarHBondContact CA-O 3.3Å; I176-V195 HydrophobicContact CG1-CG2 4.45Å |
| 177 | L | 92.1 | Very high | 84.1 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 27% | 0.272 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 125.6 | 176.1 | -62.6 | -177 | 0 | 0 | 0 | 109.9 | P185 F186 V194 Y196 | L177-P185 CarbonylContact O-C 3.56Å; L177-P185 VanDerWaalsContact O-CA 3.3Å; L177-P185 WeakPolarHBondContact O-CA 3.16Å; L177-F186 HydrophobicContact CB-CD2 3.7Å; L177-F186 HydrophobicContact CB-CE2 4.43Å; L177-F186 WeakPolarHBondContact O-CD2 3.28Å; L177-F186 PolarHBondContact O-N 3.29Å; L177-V194 HydrophobicContact CD1-CG1 3.85Å; L177-V194 HydrophobicContact CG-CG1 4.38Å; L177-V194 PolarHBondContact N-O 3.36Å; L177-Y196 HydrophobicContact CD2-CG 4.5Å |
| 178 | I | 93.7 | Very high | 85.9 | Confident | 103 Ų | 103 | 78.5 Ų | 78.5 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | B | Isolated β-bridge | trans | -111.4 | 136.1 | 178.6 | -58.8 | 175.9 | 0 | 0 | 0 | 109.1 | P180 G183 | I178-P180 WeakPolarHBondContact O-CD 3.45Å; I178-G183 VanDerWaalsContact CG2-C 3.46Å; I178-G183 WeakPolarHBondContact CG2-O 3.28Å |
| 179 | N | 88.1 | Confident | 87.8 | Confident | 36 Ų | 36 | 81.9 Ų | 81.9 | 19% | 0.193 | 50% | 0.496 | C | S | . | . | | | trans | -74.4 | 119 | 173.3 | -179.9 | -22.6 | 0 | 0 | 0 | 109.5 | Q181 T182 G183 Q184 F186 | N179-Q181 PolarHBondContact O-N 3.13Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.41Å; N179-Q181 PolarHBondContact OD1-N 3.07Å; N179-T182 WeakPolarHBondContact CB-OG1 3.44Å; N179-T182 PolarHBondContact O-N 3.32Å; N179-G183 WeakPolarHBondContact O-CA 3.32Å; N179-G183 PolarHBondContact O-N 3.46Å; N179-Q184 PolarHBondContact N-O 3.25Å; N179-F186 HydrophobicContact CB-CE1 3.99Å; N179-F186 HydrophobicContact CB-CE2 3.95Å; N179-F186 HydrophobicContact CB-CZ 3.64Å |
| 180 | P | 88.1 | Confident | 89.3 | Confident | 120 Ų | 120 | 85 Ų | 85 | 78% | 0.779 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.8 | -177.1 | 27.3 | -35 | 0 | 0 | 0 | 113.7 | I178 | I178-P180 WeakPolarHBondContact O-CD 3.45Š|
| 181 | Q | 90.1 | Very high | 90.3 | Very high | 177 Ų | 177 | 83.7 Ų | 83.7 | 83% | 0.827 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -30.1 | -179.4 | -57 | 171.1 | 31.4 | 0 | 0 | 111.9 | N179 | N179-Q181 PolarHBondContact O-N 3.13Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.41Å; N179-Q181 PolarHBondContact OD1-N 3.07Å |
| 182 | T | 92.1 | Very high | 90.8 | Very high | 86 Ų | 86 | 82.9 Ų | 82.9 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -16.1 | -175.8 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | N179 Q184 | N179-T182 WeakPolarHBondContact CB-OG1 3.44Å; N179-T182 PolarHBondContact O-N 3.32Å; T182-Q184 PolarHBondContact O-N 2.86Å; T182-Q184 PolarHBondContact OG1-N 3.37Å |
| 183 | G | 92.1 | Very high | 91.2 | Very high | 52 Ų | 52 | 81.5 Ų | 81.5 | 54% | 0.536 | 49% | 0.488 | S | S | . | . | | | trans | 68.9 | 6.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I178 N179 | I178-G183 VanDerWaalsContact CG2-C 3.46Å; I178-G183 WeakPolarHBondContact CG2-O 3.28Å; N179-G183 WeakPolarHBondContact O-CA 3.32Å; N179-G183 PolarHBondContact O-N 3.46Å |
| 184 | Q | 93.6 | Very high | 91.5 | Very high | 124 Ų | 124 | 79 Ų | 79 | 58% | 0.579 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -99.2 | 148.9 | -176.9 | -64.9 | -63 | -17.4 | 0 | 0 | 111.5 | N179 T182 | N179-Q184 PolarHBondContact N-O 3.25Å; T182-Q184 PolarHBondContact O-N 2.86Å; T182-Q184 PolarHBondContact OG1-N 3.37Å |
| 185 | P | 94.5 | Very high | 91.8 | Very high | 46 Ų | 46 | 80.2 Ų | 80.2 | 30% | 0.299 | 47% | 0.467 | S | S | . | . | B | Isolated β-bridge | trans | -61.9 | 142.3 | 172.3 | 28.4 | -33.8 | 0 | 0 | 0 | 110 | I176 L177 L187 P193 | I176-P185 HydrophobicContact CG2-CB 3.71Å; L177-P185 CarbonylContact O-C 3.56Å; L177-P185 VanDerWaalsContact O-CA 3.3Å; L177-P185 WeakPolarHBondContact O-CA 3.16Å; P185-L187 HydrophobicContact CG-CD2 4.18Å; P185-P193 HydrophobicContact CB-CB 3.95Å |
| 186 | F | 91 | Very high | 91.8 | Very high | 92 Ų | 92 | 80 Ų | 80 | 40% | 0.404 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 139 | 163.3 | -69.3 | -79.8 | 0 | 0 | 0 | 108.1 | L177 N179 P193 V194 | L177-F186 HydrophobicContact CB-CD2 3.7Å; L177-F186 HydrophobicContact CB-CE2 4.43Å; L177-F186 WeakPolarHBondContact O-CD2 3.28Å; L177-F186 PolarHBondContact O-N 3.29Å; N179-F186 HydrophobicContact CB-CE1 3.99Å; N179-F186 HydrophobicContact CB-CE2 3.95Å; N179-F186 HydrophobicContact CB-CZ 3.64Å; F186-P193 CarbonylContact O-C 3.58Å; F186-P193 WeakPolarHBondContact O-CA 3.27Å; F186-V194 HydrophobicContact CB-CB 3.92Å; F186-V194 HydrophobicContact CB-CG2 3.68Å; F186-V194 WeakPolarHBondContact O-CG2 3.34Å; F186-V194 PolarHBondContact O-N 2.85Å |
| 187 | L | 93.6 | Very high | 91.6 | Very high | 107 Ų | 107 | 81.3 Ų | 81.3 | 56% | 0.56 | 47% | 0.47 | S | S | * | . | B | Isolated β-bridge | trans | -111.2 | 139.3 | 179.7 | -58.6 | -178.8 | 0 | 0 | 0 | 110.3 | P185 S192 | P185-L187 HydrophobicContact CG-CD2 4.18Å; L187-S192 CarbonylContact C-O 3.5Å; L187-S192 VanDerWaalsContact CA-O 3.28Å; L187-S192 WeakPolarHBondContact CA-O 3.3Å |
| 188 | N | 91 | Very high | 91.1 | Very high | 60 Ų | 60 | 80.6 Ų | 80.6 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | | | trans | -70.3 | 166.2 | 165.9 | -63.3 | -56.9 | 0 | 0 | 0 | 110 | D190 G191 S192 | N188-D190 WeakPolarHBondContact CB-OD1 3.3Å; N188-D190 PolarHBondContact O-N 2.91Å; N188-D190 VanDerWaalsContact O-N 3.1Å; N188-G191 PolarHBondContact O-N 2.76Å; N188-S192 PolarHBondContact N-O 2.87Å; N188-S192 PolarHBondContact ND2-O 2.81Å; N188-S192 PolarHBondContact ND2-OG 3.38Å |
| 189 | P | 90.7 | Very high | 90.3 | Very high | 142 Ų | 142 | 81.3 Ų | 81.3 | 92% | 0.922 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25.4 | 178.2 | -24.7 | 34.6 | 0 | 0 | 0 | 114.5 | G191 | P189-G191 VanDerWaalsContact C-N 3.28Š|
| 190 | D | 89.9 | Confident | 89.3 | Confident | 119 Ų | 119 | 87.3 Ų | 87.3 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.9 | 174.5 | 58.2 | -64.8 | 0 | 0 | 0 | 113.9 | N188 S192 | N188-D190 WeakPolarHBondContact CB-OD1 3.3Å; N188-D190 PolarHBondContact O-N 2.91Å; N188-D190 VanDerWaalsContact O-N 3.1Å; D190-S192 VanDerWaalsContact C-N 3.34Å; D190-S192 WeakPolarHBondContact OD2-CB 3.21Å; D190-S192 PolarHBondContact OD2-OG 3.1Å |
| 191 | G | 91.3 | Very high | 87.8 | Confident | 46 Ų | 46 | 87.7 Ų | 87.7 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 83.6 | 1.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | N188 P189 | N188-G191 PolarHBondContact O-N 2.76Å; P189-G191 VanDerWaalsContact C-N 3.28Å |
| 192 | S | 93.1 | Very high | 86 | Confident | 41 Ų | 41 | 87.8 Ų | 87.8 | 29% | 0.287 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 150.3 | 172.6 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | L187 N188 D190 | L187-S192 CarbonylContact C-O 3.5Å; L187-S192 VanDerWaalsContact CA-O 3.28Å; L187-S192 WeakPolarHBondContact CA-O 3.3Å; N188-S192 PolarHBondContact N-O 2.87Å; N188-S192 PolarHBondContact ND2-O 2.81Å; N188-S192 PolarHBondContact ND2-OG 3.38Å; D190-S192 VanDerWaalsContact C-N 3.34Å; D190-S192 WeakPolarHBondContact OD2-CB 3.21Å; D190-S192 PolarHBondContact OD2-OG 3.1Å |
| 193 | P | 92.3 | Very high | 83.7 | Confident | 53 Ų | 53 | 91.4 Ų | 91.4 | 34% | 0.344 | 52% | 0.521 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 139.3 | 175.9 | 27.5 | -33.9 | 0 | 0 | 0 | 111.6 | I176 P185 F186 V195 | I176-P193 HydrophobicContact CD1-CB 4.33Å; I176-P193 HydrophobicContact CD1-CG 4.23Å; I176-P193 HydrophobicContact CG1-CB 4.36Å; I176-P193 HydrophobicContact CG2-CB 3.78Å; P185-P193 HydrophobicContact CB-CB 3.95Å; F186-P193 CarbonylContact O-C 3.58Å; F186-P193 WeakPolarHBondContact O-CA 3.27Å; P193-V195 PolarHBondContact O-N 3.22Å |
| 194 | V | 93.3 | Very high | 81.3 | Confident | 34 Ų | 34 | 94.3 Ų | 94.3 | 21% | 0.206 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -70 | 127.1 | 176.5 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | I176 L177 F186 | I176-V194 WeakPolarHBondContact CA-O 3.3Å; L177-V194 HydrophobicContact CD1-CG1 3.85Å; L177-V194 HydrophobicContact CG-CG1 4.38Å; L177-V194 PolarHBondContact N-O 3.36Å; F186-V194 HydrophobicContact CB-CB 3.92Å; F186-V194 HydrophobicContact CB-CG2 3.68Å; F186-V194 WeakPolarHBondContact O-CG2 3.34Å; F186-V194 PolarHBondContact O-N 2.85Å |
| 195 | V | 93.1 | Very high | 79 | Confident | 76 Ų | 76 | 94.7 Ų | 94.7 | 46% | 0.461 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.5 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | G174 S175 I176 P193 N197 | G174-V195 VanDerWaalsContact CA-CG1 3.44Å; S175-V195 CarbonylContact O-C 3.56Å; S175-V195 WeakPolarHBondContact O-CA 3.43Å; I176-V195 HydrophobicContact CG1-CG2 4.45Å; P193-V195 PolarHBondContact O-N 3.22Å; V195-N197 PolarHBondContact O-N 2.88Å |
| 196 | Y | 90.8 | Very high | 76.5 | Confident | 26 Ų | 26 | 103.4 Ų | 103.4 | 10% | 0.102 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.1 | 115.9 | 173.3 | 179.7 | -111.3 | 0 | 0 | 0 | 110.3 | L166 I171 G174 S175 L177 P198 | L166-Y196 HydrophobicContact CD1-CE2 4.36Å; L166-Y196 HydrophobicContact CD2-CD2 4.42Å; L166-Y196 HydrophobicContact CD2-CE2 3.52Å; L166-Y196 HydrophobicContact CG-CE2 3.63Å; L166-Y196 PolarHBondContact O-OH 2.89Å; I171-Y196 HydrophobicContact CB-CD1 4.07Å; I171-Y196 HydrophobicContact CB-CE1 4.2Å; I171-Y196 HydrophobicContact CG2-CD1 3.59Å; I171-Y196 HydrophobicContact CG2-CE1 4.23Å; I171-Y196 HydrophobicContact CG2-CG 3.95Å; I171-Y196 WeakPolarHBondContact O-CE1 3.35Å; G174-Y196 PolarHBondContact N-O 3.17Å; S175-Y196 WeakPolarHBondContact O-CB 3.45Å; S175-Y196 PolarHBondContact O-N 3.46Å; L177-Y196 HydrophobicContact CD2-CG 4.5Å; Y196-P198 HydrophobicContact CE1-CB 4.36Å; Y196-P198 HydrophobicContact CE1-CG 4.16Å |
| 197 | N | 88.3 | Confident | 74.2 | Confident | 115 Ų | 115 | 105 Ų | 105 | 62% | 0.615 | 59% | 0.585 | S | S | * | * | | | trans | -131.3 | 107.8 | 169.9 | -167.9 | 38.5 | 0 | 0 | 0 | 107.8 | V195 | V195-N197 PolarHBondContact O-N 2.88Š|
| 198 | P | 81.5 | Confident | 71.6 | Confident | 38 Ų | 38 | 108.5 Ų | 108.5 | 25% | 0.247 | 60% | 0.598 | C | S | . | * | | | trans | -62.6 | 145.2 | 178.5 | 24.5 | -30.1 | 0 | 0 | 0 | 109.8 | P173 Y196 M200 | P173-P198 HydrophobicContact CB-CG 4.48Å; P173-P198 HydrophobicContact CG-CG 3.94Å; Y196-P198 HydrophobicContact CE1-CB 4.36Å; Y196-P198 HydrophobicContact CE1-CG 4.16Å; P198-M200 PolarHBondContact O-N 2.92Å |
| 199 | P | 77.9 | Confident | 69.4 | Low | 118 Ų | 118 | 111.6 Ų | 111.6 | 77% | 0.766 | 62% | 0.619 | S | S | * | * | | | trans | -59.6 | 117 | 171.3 | 25.1 | -31.4 | 0 | 0 | 0 | 107.9 | T201 | P199-T201 PolarHBondContact O-N 2.66Š|
| 200 | M | 66.1 | Low | 67.3 | Low | 162 Ų | 162 | 111.1 Ų | 111.1 | 80% | 0.798 | 62% | 0.616 | S | S | * | * | | | trans | -56.2 | 112.3 | 169.6 | -64.1 | -97.9 | -174.1 | 0 | 0 | 106.3 | P198 Q202 | P198-M200 PolarHBondContact O-N 2.92Å; M200-Q202 VanDerWaalsContact C-N 3.34Å; M200-Q202 PolarHBondContact O-N 2.85Å |
| 201 | T | 58.6 | Low | 65.1 | Low | 127 Ų | 127 | 108.2 Ų | 108.2 | 78% | 0.779 | 61% | 0.614 | S | S | * | * | | | trans | -60.3 | 104.5 | 168.7 | 50.4 | 0 | 0 | 0 | 0 | 106.2 | P199 Q203 | P199-T201 PolarHBondContact O-N 2.66Å; T201-Q203 PolarHBondContact O-N 3.17Å |
| 202 | Q | 51.2 | Low | 63 | Low | 179 Ų | 179 | 111.6 Ų | 111.6 | 84% | 0.836 | 63% | 0.628 | S | S | * | * | | | trans | -56.5 | 105.9 | 168.2 | -69.7 | -109 | 96.5 | 0 | 0 | 105.9 | M200 | M200-Q202 VanDerWaalsContact C-N 3.34Å; M200-Q202 PolarHBondContact O-N 2.85Å |
| 203 | Q | 43.7 | Very low | 60.9 | Low | 163 Ų | 163 | 115.9 Ų | 115.9 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | | | trans | -47 | 133.2 | 166.5 | -74.8 | -95.6 | 11.2 | 0 | 0 | 107.1 | T201 V205 | T201-Q203 PolarHBondContact O-N 3.17Å; Q203-V205 PolarHBondContact O-N 3.48Å |
| 204 | P | 42.9 | Very low | 59.2 | Low | 113 Ų | 113 | 122 Ų | 122 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | | | trans | -55.9 | 119.6 | 178.8 | 20.4 | -28.9 | 0 | 0 | 0 | 108.1 | R206 | P204-R206 PolarHBondContact O-N 2.8Š|
| 205 | V | 45.2 | Very low | 57.5 | Low | 132 Ų | 132 | 125.8 Ų | 125.8 | 80% | 0.8 | 70% | 0.704 | S | S | * | * | | | trans | -51.6 | 106.5 | 170.2 | 168.4 | 0 | 0 | 0 | 0 | 106.3 | Q203 T207 | Q203-V205 PolarHBondContact O-N 3.48Å; V205-T207 PolarHBondContact O-N 3.45Å |
| 206 | R | 41.4 | Very low | 55.5 | Low | 228 Ų | 228 | 128.2 Ų | 128.2 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | | | trans | -64.4 | 106.5 | 173.9 | -167.5 | -176.1 | -173.2 | 177.9 | 2.9 | 106 | P204 Q208 | P204-R206 PolarHBondContact O-N 2.8Å; R206-Q208 PolarHBondContact O-N 2.74Å |
| 207 | T | 41.5 | Very low | 54 | Low | 127 Ų | 127 | 134.9 Ų | 134.9 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | trans | -46.6 | 107.3 | 169.8 | -54.1 | 0 | 0 | 0 | 0 | 108.3 | V205 V209 | V205-T207 PolarHBondContact O-N 3.45Å; T207-V209 PolarHBondContact O-N 2.94Å |
| 208 | Q | 40.1 | Very low | 52.4 | Low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | trans | -70.4 | 120.8 | 177 | -69.4 | -129.7 | 77.6 | 0 | 0 | 108.2 | R206 | R206-Q208 PolarHBondContact O-N 2.74Š|
| 209 | V | 45.6 | Very low | 51.4 | Low | 126 Ų | 126 | 138.5 Ų | 138.5 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -60.9 | 138.7 | 164 | 178 | 0 | 0 | 0 | 0 | 107.7 | T207 G211 | T207-V209 PolarHBondContact O-N 2.94Å; V209-G211 PolarHBondContact O-N 2.56Å |
| 210 | P | 45.8 | Very low | 50.5 | Low | 131 Ų | 131 | 138.5 Ų | 138.5 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -62.4 | 106.7 | -178.9 | -19.2 | 30.9 | 0 | 0 | 0 | 111.3 | | |
| 211 | G | 42.6 | Very low | 49.8 | Very low | 58 Ų | 58 | 136.2 Ų | 136.2 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 162.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V209 | V209-G211 PolarHBondContact O-N 2.56Š|
| 212 | P | 48.6 | Very low | 49.5 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 155.8 | -172.6 | 26.6 | -33.6 | 0 | 0 | 0 | 112.4 | Q214 | P212-Q214 PolarHBondContact O-N 2.93Š|
| 213 | P | 47.7 | Very low | 49.5 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 125.4 | -166.5 | 25.5 | -32.8 | 0 | 0 | 0 | 111.3 | | |
| 214 | Q | 58.4 | Low | 49.5 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 146.2 | 170.9 | -65 | -148.6 | -47.9 | 0 | 0 | 110.6 | P212 | P212-Q214 PolarHBondContact O-N 2.93Š|
| 215 | P | 56.3 | Low | 49.6 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 151.7 | 176.9 | 26.8 | -32.4 | 0 | 0 | 0 | 111.5 | | |
| 216 | P | 51.7 | Low | 49.3 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 137 | -174.7 | 25.1 | -32.3 | 0 | 0 | 0 | 111.8 | | |
| 217 | L | 58.6 | Low | 49.1 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 145.6 | 171.5 | -76 | 154 | 0 | 0 | 0 | 110.5 | | |
| 218 | P | 54.8 | Low | 49.1 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66 | 148.2 | 177.3 | 26.9 | -32.5 | 0 | 0 | 0 | 111.5 | | |
| 219 | P | 60 | Low | 49 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 149.3 | -177.4 | 27.4 | -33.7 | 0 | 0 | 0 | 112.2 | | |
| 220 | P | 59.8 | Low | 48.3 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66 | 150.2 | 173.5 | 27.9 | -33.1 | 0 | 0 | 0 | 111.2 | | |
| 221 | P | 51.4 | Low | 48.3 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 146.3 | 179.8 | 26.8 | -33 | 0 | 0 | 0 | 111.3 | Q223 | P221-Q223 PolarHBondContact O-N 3.03Š|
| 222 | P | 52.8 | Low | 47.8 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68 | 124 | -176.9 | 25.3 | -31.6 | 0 | 0 | 0 | 111.3 | | |
| 223 | Q | 51.6 | Low | 47.7 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 126.2 | 166.1 | -68.2 | -165 | 5.3 | 0 | 0 | 109.2 | P221 | P221-Q223 PolarHBondContact O-N 3.03Š|
| 224 | Q | 43.1 | Very low | 47.7 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 140.1 | 170 | -66.5 | -149.2 | -27.2 | 0 | 0 | 110.3 | A226 | Q224-A226 PolarHBondContact O-N 2.85Š|
| 225 | P | 44.9 | Very low | 47.2 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -77.6 | 107.8 | 175.5 | 28.4 | -28.1 | 0 | 0 | 0 | 109.8 | A227 | P225-A227 PolarHBondContact O-N 2.95Š|
| 226 | A | 39.6 | Very low | 47.1 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | | | trans | -74.7 | 102.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q224 S228 | Q224-A226 PolarHBondContact O-N 2.85Å; A226-S228 PolarHBondContact O-N 3.15Å |
| 227 | A | 36.7 | Very low | 46.8 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -60.8 | 121.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P225 | P225-A227 PolarHBondContact O-N 2.95Š|
| 228 | S | 41.9 | Very low | 46.5 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | | | trans | -64.2 | 158.1 | 167.8 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | A226 | A226-S228 PolarHBondContact O-N 3.15Š|
| 229 | H | 37 | Very low | 46.3 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | 104.1 | 100.8 | 160 | -58 | -82.3 | 0 | 0 | 0 | 117.1 | | |
| 230 | M | 31.4 | Very low | 45.9 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | | 166.4 | 125.6 | 97.6 | -80.1 | -79.6 | 70.4 | 0 | 0 | 112 | | |
| 231 | F | 45.3 | Very low | 45.3 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | trans | 38.9 | 109.3 | 152.4 | -67.1 | -82.6 | 0 | 0 | 0 | 121.4 | | |
| 232 | S | 31.2 | Very low | 45.1 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | | -165.7 | 101.7 | 122.1 | -87.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 233 | Q | 47.3 | Very low | 44.8 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | -68.1 | 115.7 | 155.4 | -179 | -161.1 | 86.6 | 0 | 0 | 106.4 | | |
| 234 | D | 48.2 | Very low | 44.1 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | 158.5 | 96.8 | 155.2 | -104.2 | -69.1 | 0 | 0 | 0 | 108 | | |
| 235 | N | 47.8 | Very low | 44.5 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | | | trans | 174 | 68.5 | 139.9 | -161.9 | -6.1 | 0 | 0 | 0 | 111 | A238 | N235-A238 VanDerWaalsContact OD1-CB 3.32Å; N235-A238 WeakPolarHBondContact OD1-CB 3.45Å |
| 236 | L | 53.8 | Low | 44.2 | Very low | 175 Ų | 175 | 136 Ų | 136 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -105.6 | 10.7 | 161.4 | -75.3 | 165.5 | 0 | 0 | 0 | 111.8 | | |
| 237 | G | 46.1 | Very low | 44.1 | Very low | 64 Ų | 64 | 142.6 Ų | 142.6 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -88.8 | -12.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 238 | A | 51.4 | Low | 44.1 | Very low | 61 Ų | 61 | 146.3 Ų | 146.3 | 50% | 0.504 | 78% | 0.78 | S | S | . | * | S | Bend | trans | -100.9 | 12.4 | -167 | 0 | 0 | 0 | 0 | 0 | 116.5 | N235 | N235-A238 VanDerWaalsContact OD1-CB 3.32Å; N235-A238 WeakPolarHBondContact OD1-CB 3.45Å |
| 239 | Q | 51.4 | Low | 44.3 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -114.1 | 5.9 | 179.7 | -78.3 | -84.5 | 9.1 | 0 | 0 | 114.5 | | |
| 240 | F | 52.2 | Low | 44.2 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -120.9 | 10.3 | -179.3 | -73.7 | -77.3 | 0 | 0 | 0 | 115.6 | | |
| 241 | S | 46.5 | Very low | 44.5 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | -97.9 | 8.2 | -176.3 | -71.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 242 | H | 47 | Very low | 44.2 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 17.1 | -171 | -75 | -74.9 | 0 | 0 | 0 | 117.4 | | |
| 243 | M | 45.8 | Very low | 44.2 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 93% | 0.931 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | 34.9 | 170.7 | -76.2 | -166.3 | -69.9 | 0 | 0 | 114.8 | | |
| 244 | S | 38.4 | Very low | 43.7 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | -91.9 | 99.8 | 163.2 | -76.8 | 0 | 0 | 0 | 0 | 110.2 | A246 | S244-A246 PolarHBondContact O-N 3.14Š|
| 245 | L | 49.7 | Very low | 43.3 | Very low | 185 Ų | 185 | 136.4 Ų | 136.4 | 97% | 0.969 | 79% | 0.786 | S | S | * | * | | | trans | -70.5 | 88.3 | 173.3 | -154.5 | 83.3 | 0 | 0 | 0 | 109.5 | | |
| 246 | A | 39.2 | Very low | 43.4 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -86.1 | 123.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S244 | S244-A246 PolarHBondContact O-N 3.14Š|
| 247 | R | 38.3 | Very low | 42.4 | Very low | 234 Ų | 234 | 134.8 Ų | 134.8 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -55 | 136.3 | 171.1 | -75.2 | 169.6 | 128.7 | -179.8 | -3 | 111.4 | | |
| 248 | Q | 36 | Very low | 42 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | -129.4 | 113.6 | 157.8 | -76.2 | -69 | -81.5 | 0 | 0 | 108.4 | | |
| 249 | P | 47.2 | Very low | 41.4 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | trans | -93 | 124.6 | 159.1 | 32.7 | -22.4 | 0 | 0 | 0 | 108 | | |
| 250 | S | 34.1 | Very low | 40.8 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -132.7 | 113.7 | 160.6 | -157 | 0 | 0 | 0 | 0 | 107.9 | | |
| 251 | A | 38.6 | Very low | 40.1 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -87.6 | 158.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 252 | D | 36.9 | Very low | 39.6 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | 96.7 | 131.3 | 147.7 | -140.5 | -103.7 | 0 | 0 | 0 | 118.7 | | |
| 253 | G | 32 | Very low | 38.8 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | 150.9 | 74.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 254 | S | 37.4 | Very low | 38.4 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -56.4 | 154 | 157.8 | 44 | 0 | 0 | 0 | 0 | 110.8 | | |
| 255 | D | 38.9 | Very low | 38.6 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | | | | -178.1 | -161 | 52.2 | -162.1 | 20.1 | 0 | 0 | 0 | 108.3 | | |
| 256 | P | 50.3 | Low | 38 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 53% | 0.532 | 79% | 0.787 | S | S | . | * | | | | -125.8 | 179.4 | -112.7 | 43 | -22.8 | 0 | 0 | 0 | 114.8 | | |
| 257 | H | 33.6 | Very low | 38.1 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | 65.6 | 112.8 | 158 | -79.5 | -80.6 | 0 | 0 | 0 | 119.7 | | |
| 258 | A | 37 | Very low | 37.8 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | | -176.8 | 101.6 | 116.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 259 | T | 37.8 | Very low | 37.6 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | | | trans | 55.5 | 113 | 130.3 | 52.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 260 | M | 40 | Very low | 37.2 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | | 56.8 | 108.6 | 120.2 | -66.6 | -171.1 | -82.8 | 0 | 0 | 118 | | |
| 261 | F | 37.6 | Very low | 37.5 | Very low | 214 Ų | 214 | 134.8 Ų | 134.8 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | | | | -161.3 | 117.7 | 105.3 | -92.3 | -72 | 0 | 0 | 0 | 109.2 | | |
| 262 | Q | 34.7 | Very low | 37.4 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | trans | -87.9 | 144.7 | 173.3 | -71.5 | -149.3 | 68.9 | 0 | 0 | 110.4 | | |
| 263 | S | 30.8 | Very low | 37.5 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -163.4 | 108.3 | 139.1 | -98.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 264 | T | 38.2 | Very low | 37.4 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | | | trans | 59.2 | 84.6 | 135.5 | -175.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 265 | V | 43.1 | Very low | 37.3 | Very low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | | -134.4 | 129.2 | 122.3 | -71.8 | 0 | 0 | 0 | 0 | 108.3 | L267 | V265-L267 PolarHBondContact O-N 3.31Š|
| 266 | V | 37.2 | Very low | 37.5 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | | | trans | -66.3 | 95.6 | -179.7 | 174.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 267 | L | 39.6 | Very low | 37.3 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | -84.4 | 111.8 | 164.6 | -167.2 | 64.9 | 0 | 0 | 0 | 107.3 | V265 S269 | V265-L267 PolarHBondContact O-N 3.31Å; L267-S269 PolarHBondContact O-N 3.3Å |
| 268 | Q | 33.3 | Very low | 37.7 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -51.4 | 124.5 | 178.7 | -157.6 | 169.6 | 42.3 | 0 | 0 | 110.2 | | |
| 269 | S | 32 | Very low | 38.3 | Very low | 92 Ų | 92 | 140 Ų | 140 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | trans | -47.8 | 126.2 | 172.6 | 44.4 | 0 | 0 | 0 | 0 | 111.9 | L267 Q271 | L267-S269 PolarHBondContact O-N 3.3Å; S269-Q271 PolarHBondContact O-N 3.25Å; S269-Q271 VanDerWaalsContact O-N 3.11Å |
| 270 | P | 38.1 | Very low | 39.2 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -71.5 | 108.4 | 160.9 | 27.1 | -24.5 | 0 | 0 | 0 | 107.2 | | |
| 271 | Q | 39.4 | Very low | 40.3 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -47.2 | 142.8 | 165.6 | -85.3 | -76.7 | -0.4 | 0 | 0 | 110.3 | S269 | S269-Q271 PolarHBondContact O-N 3.25Å; S269-Q271 VanDerWaalsContact O-N 3.11Å |
| 272 | Q | 36.8 | Very low | 41.7 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -65.2 | 161.7 | 174.8 | -65.4 | -149.8 | -29.9 | 0 | 0 | 112.2 | | |
| 273 | S | 39.3 | Very low | 43.4 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | 85.4 | 99.7 | 154.9 | -157.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 274 | G | 30.7 | Very low | 45.6 | Very low | 61 Ų | 61 | 131.2 Ų | 131.2 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | | | trans | 166.2 | 67.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | I276 | G274-I276 PolarHBondContact O-N 3.05Š|
| 275 | Y | 35.8 | Very low | 47.6 | Very low | 203 Ų | 203 | 131 Ų | 131 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | | | trans | -57.2 | 109.8 | 163.2 | 51.4 | -89.5 | 0 | 0 | 0 | 106.4 | V277 | Y275-V277 VanDerWaalsContact C-N 3.28Å; Y275-V277 HydrophobicContact CD2-CG2 3.88Å; Y275-V277 PolarHBondContact O-N 3.35Å |
| 276 | I | 41.5 | Very low | 49.5 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | -79.7 | 98.3 | 154.8 | -51.5 | -179.1 | 0 | 0 | 0 | 102.4 | G274 T278 | G274-I276 PolarHBondContact O-N 3.05Å; I276-T278 PolarHBondContact O-N 3.49Å |
| 277 | V | 46.3 | Very low | 51.8 | Low | 97 Ų | 97 | 128.5 Ų | 128.5 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | | | trans | -58 | 97.7 | 157.1 | 167.7 | 0 | 0 | 0 | 0 | 103.9 | Y275 T279 | Y275-V277 VanDerWaalsContact C-N 3.28Å; Y275-V277 HydrophobicContact CD2-CG2 3.88Å; Y275-V277 PolarHBondContact O-N 3.35Å; V277-T279 HydrophobicContact CG1-CG2 3.51Å; V277-T279 PolarHBondContact O-N 3.31Å |
| 278 | T | 41.6 | Very low | 54 | Low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | | | trans | -67.6 | 83.4 | 160.4 | -53.7 | 0 | 0 | 0 | 0 | 104.4 | I276 A280 | I276-T278 PolarHBondContact O-N 3.49Å; T278-A280 PolarHBondContact O-N 3.24Å |
| 279 | T | 50 | Low | 56.5 | Low | 106 Ų | 106 | 123.2 Ų | 123.2 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | | | trans | -55.2 | 116.7 | 165.6 | 47.9 | 0 | 0 | 0 | 0 | 104.7 | V277 | V277-T279 HydrophobicContact CG1-CG2 3.51Å; V277-T279 PolarHBondContact O-N 3.31Å |
| 280 | A | 56.6 | Low | 59.1 | Low | 73 Ų | 73 | 124.3 Ų | 124.3 | 60% | 0.603 | 74% | 0.741 | S | S | * | * | | | trans | -45.1 | 140.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | T278 P282 | T278-A280 PolarHBondContact O-N 3.24Å; A280-P282 VanDerWaalsContact O-N 3.15Å |
| 281 | P | 63.4 | Low | 61.3 | Low | 113 Ų | 113 | 123.6 Ų | 123.6 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -47 | 129.4 | 175 | -22.2 | 29.9 | 0 | 0 | 0 | 108.1 | H283 | P281-H283 PolarHBondContact O-N 3.22Š|
| 282 | P | 68.3 | Low | 63.4 | Low | 119 Ų | 119 | 120.9 Ų | 120.9 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 131 | 178.3 | 20.5 | -30.3 | 0 | 0 | 0 | 107.9 | A280 | A280-P282 VanDerWaalsContact O-N 3.15Š|
| 283 | H | 69.7 | Low | 65.6 | Low | 169 Ų | 169 | 117.9 Ų | 117.9 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 138.2 | 174.9 | -73.7 | -102.3 | 0 | 0 | 0 | 108.6 | P281 | P281-H283 PolarHBondContact O-N 3.22Š|
| 284 | P | 76.9 | Confident | 67.6 | Low | 114 Ų | 114 | 117.3 Ų | 117.3 | 74% | 0.74 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 138.2 | 174.8 | 23.1 | -32.1 | 0 | 0 | 0 | 108.7 | | |
| 285 | P | 80.4 | Confident | 70 | Confident | 113 Ų | 113 | 120.3 Ų | 120.3 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 145 | 178.8 | 24.3 | -33.1 | 0 | 0 | 0 | 109.3 | | |
| 286 | P | 83.3 | Confident | 71.8 | Confident | 113 Ų | 113 | 116.2 Ų | 116.2 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 146.4 | 175.9 | 25 | -33.2 | 0 | 0 | 0 | 109.7 | | |
| 287 | P | 84.7 | Confident | 73.2 | Confident | 114 Ų | 114 | 116.6 Ų | 116.6 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.2 | 175.4 | 24.9 | -33.4 | 0 | 0 | 0 | 109.8 | | |
| 288 | P | 85.7 | Confident | 74.3 | Confident | 112 Ų | 112 | 117 Ų | 117 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 147 | 177 | 25.2 | -33.5 | 0 | 0 | 0 | 110 | | |
| 289 | P | 85.9 | Confident | 74.9 | Confident | 114 Ų | 114 | 117.8 Ų | 117.8 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 146.3 | 175.3 | 25.4 | -33.3 | 0 | 0 | 0 | 109.7 | | |
| 290 | P | 86.1 | Confident | 75.4 | Confident | 115 Ų | 115 | 116.1 Ų | 116.1 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 147.5 | 175.5 | 25.4 | -33.5 | 0 | 0 | 0 | 109.8 | | |
| 291 | P | 85 | Confident | 74.9 | Confident | 113 Ų | 113 | 121.6 Ų | 121.6 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 145.7 | 175.3 | 24.9 | -33.2 | 0 | 0 | 0 | 109.8 | | |
| 292 | P | 84.2 | Confident | 74.1 | Confident | 114 Ų | 114 | 121.4 Ų | 121.4 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 143.5 | 175.9 | 24.6 | -33 | 0 | 0 | 0 | 109.5 | | |
| 293 | P | 82.3 | Confident | 73 | Confident | 115 Ų | 115 | 122 Ų | 122 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -57 | 145.9 | 175.5 | 25 | -33.3 | 0 | 0 | 0 | 109.6 | | |
| 294 | P | 81.2 | Confident | 71.9 | Confident | 112 Ų | 112 | 119.6 Ų | 119.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56 | 142.1 | 175.3 | 24.7 | -33.1 | 0 | 0 | 0 | 109.3 | S296 | P294-S296 PolarHBondContact O-N 3.42Š|
| 295 | P | 80.8 | Confident | 70.1 | Confident | 124 Ų | 124 | 120.7 Ų | 120.7 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56 | 126.9 | 178.4 | 20.4 | -29.6 | 0 | 0 | 0 | 109.4 | L297 | P295-L297 PolarHBondContact O-N 2.88Å; P295-L297 VanDerWaalsContact O-N 3.11Å |
| 296 | S | 73.8 | Confident | 68.1 | Low | 117 Ų | 117 | 119.5 Ų | 119.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -55 | 119 | 175 | -52.2 | 0 | 0 | 0 | 0 | 108.8 | P294 | P294-S296 PolarHBondContact O-N 3.42Š|
| 297 | L | 70.9 | Confident | 65.7 | Low | 158 Ų | 158 | 119 Ų | 119 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 135.3 | 171.7 | -76.6 | 158.4 | 0 | 0 | 0 | 108.6 | P295 | P295-L297 PolarHBondContact O-N 2.88Å; P295-L297 VanDerWaalsContact O-N 3.11Å |
| 298 | P | 69.8 | Low | 63.4 | Low | 106 Ų | 106 | 123 Ų | 123 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 136.2 | 177.2 | 22.8 | -31.3 | 0 | 0 | 0 | 109.7 | G300 | P298-G300 PolarHBondContact O-N 2.97Å; P298-G300 VanDerWaalsContact O-N 3.07Å |
| 299 | P | 54.9 | Low | 60.8 | Low | 139 Ų | 139 | 123 Ų | 123 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -69.5 | 111.4 | 178.1 | 26.8 | -30 | 0 | 0 | 0 | 108.5 | | |
| 300 | G | 58.8 | Low | 58.2 | Low | 71 Ų | 71 | 121.7 Ų | 121.7 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | 122.1 | 64.8 | 169 | 0 | 0 | 0 | 0 | 0 | 114.5 | P298 | P298-G300 PolarHBondContact O-N 2.97Å; P298-G300 VanDerWaalsContact O-N 3.07Å |
| 301 | Q | 46.5 | Very low | 55.9 | Low | 189 Ų | 189 | 122.3 Ų | 122.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -137.2 | 123.5 | 140.5 | -73.9 | -161.3 | 56.4 | 0 | 0 | 109.8 | | |
| 302 | S | 47.4 | Very low | 53.4 | Low | 109 Ų | 109 | 120.3 Ų | 120.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -52.3 | 133.6 | 174.9 | 44.8 | 0 | 0 | 0 | 0 | 111.9 | P304 | S302-P304 VanDerWaalsContact O-CD 3.31Å; S302-P304 WeakPolarHBondContact O-CD 2.89Å |
| 303 | V | 44.2 | Very low | 51.2 | Low | 131 Ų | 131 | 124 Ų | 124 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -61.2 | 123.6 | 165.7 | -173.3 | 0 | 0 | 0 | 0 | 109 | | |
| 304 | P | 46.3 | Very low | 49.5 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -89.9 | 115.8 | 156.9 | 12.9 | 5.9 | 0 | 0 | 0 | 108.6 | S302 A306 | S302-P304 VanDerWaalsContact O-CD 3.31Å; S302-P304 WeakPolarHBondContact O-CD 2.89Å; P304-A306 PolarHBondContact O-N 3.18Å |
| 305 | T | 40.8 | Very low | 47.3 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -63.2 | 120.5 | 160.4 | -69.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 306 | A | 36.9 | Very low | 45 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | | | trans | -161.5 | 110.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108 | P304 | P304-A306 PolarHBondContact O-N 3.18Š|
| 307 | S | 34.7 | Very low | 43.2 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | | 64.9 | 109.9 | 94.1 | -90.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 308 | F | 36.3 | Very low | 42 | Very low | 196 Ų | 196 | 126.6 Ų | 126.6 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | 42.2 | 137.4 | 144.1 | -67.3 | -85.9 | 0 | 0 | 0 | 122.8 | | |
| 309 | S | 31.1 | Very low | 40.7 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | 100.2 | 110 | 143.9 | -72.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 310 | A | 31.3 | Very low | 40.5 | Very low | 88 Ų | 88 | 128.6 Ų | 128.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | | 55.8 | 126.5 | 123.3 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 311 | S | 38 | Very low | 39.7 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | 63 | 121.9 | 145.1 | 84 | 0 | 0 | 0 | 0 | 119.3 | | |
| 312 | G | 30.7 | Very low | 39.4 | Very low | 72 Ų | 72 | 131.7 Ų | 131.7 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | 166.7 | 96.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 313 | H | 39.7 | Very low | 39.1 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 89% | 0.889 | 80% | 0.798 | S | S | * | * | | | trans | -58.7 | 155.5 | 162.8 | -69.4 | -88.9 | 0 | 0 | 0 | 111 | | |
| 314 | P | 45.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | trans | -131 | 124.6 | 136 | 31.4 | -17.9 | 0 | 0 | 0 | 113.7 | | |
| 315 | V | 35 | Very low | 38.4 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | | | trans | 19.4 | 126.7 | 134.4 | 156.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 316 | S | 32.3 | Very low | 38.6 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -67.8 | 142.9 | 167.8 | -44 | 0 | 0 | 0 | 0 | 114 | | |
| 317 | Q | 35.7 | Very low | 39.1 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -130.9 | 133.4 | 150.6 | -88.1 | -96.5 | 27 | 0 | 0 | 108 | | |
| 318 | P | 46.5 | Very low | 39.5 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | | | trans | -86.2 | 126.2 | -174.4 | 32.4 | -29.9 | 0 | 0 | 0 | 110.9 | | |
| 319 | V | 42.5 | Very low | 39.9 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -96 | 129.9 | 164.2 | 91.2 | 0 | 0 | 0 | 0 | 109.3 | Q321 | V319-Q321 PolarHBondContact O-N 2.86Š|
| 320 | L | 50.2 | Low | 40.5 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | trans | -76.1 | 114.9 | -176.2 | -150.7 | 145.9 | 0 | 0 | 0 | 108.6 | Q322 | L320-Q322 HydrophobicContact CD2-CG 4.1Š|
| 321 | Q | 42.4 | Very low | 41 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -134.4 | 114.5 | 159.9 | -107.1 | -176.3 | 99.2 | 0 | 0 | 110.5 | V319 | V319-Q321 PolarHBondContact O-N 2.86Š|
| 322 | Q | 41.2 | Very low | 41.4 | Very low | 136 Ų | 136 | 142 Ų | 142 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | | | trans | -79.1 | 151.4 | 175.8 | -81.5 | -109.9 | 89.9 | 0 | 0 | 111.1 | L320 | L320-Q322 HydrophobicContact CD2-CG 4.1Š|
| 323 | Q | 39.8 | Very low | 41.8 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 76.6 | 114.7 | 144.3 | -72.9 | 154.7 | -13.8 | 0 | 0 | 119.2 | | |
| 324 | G | 35.8 | Very low | 41.9 | Very low | 65 Ų | 65 | 142.9 Ų | 142.9 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | | | trans | 161.1 | 52 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L326 | G324-L326 PolarHBondContact O-N 3.34Š|
| 325 | F | 39.6 | Very low | 41.7 | Very low | 219 Ų | 219 | 141.3 Ų | 141.3 | 96% | 0.961 | 79% | 0.792 | S | S | * | * | | | trans | -66.4 | 98.2 | 166.9 | -86 | -92.9 | 0 | 0 | 0 | 108.8 | | |
| 326 | L | 45.9 | Very low | 41.7 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 131.6 | 154.7 | -92 | 97.2 | 0 | 0 | 0 | 108.4 | G324 Q328 | G324-L326 PolarHBondContact O-N 3.34Å; L326-Q328 PolarHBondContact O-N 3.43Å |
| 327 | P | 46.7 | Very low | 41.8 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 125.7 | 174 | 26.9 | -30.3 | 0 | 0 | 0 | 109.4 | P329 | P327-P329 WeakPolarHBondContact O-CD 3.15Š|
| 328 | Q | 43.8 | Very low | 41.8 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 119.7 | 167 | -179.7 | -170.5 | 70.9 | 0 | 0 | 108.5 | L326 S330 | L326-Q328 PolarHBondContact O-N 3.43Å; Q328-S330 PolarHBondContact O-N 3.45Å |
| 329 | P | 44.3 | Very low | 41.3 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73 | 120.4 | 169 | 28.3 | -29.5 | 0 | 0 | 0 | 108.4 | P327 | P327-P329 WeakPolarHBondContact O-CD 3.15Š|
| 330 | S | 44.2 | Very low | 41.1 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145 | 167.4 | 48.8 | 0 | 0 | 0 | 0 | 110 | Q328 Q332 | Q328-S330 PolarHBondContact O-N 3.45Å; S330-Q332 PolarHBondContact O-N 3Å |
| 331 | P | 42.8 | Very low | 40.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -67.2 | 108.2 | 172.2 | 26.1 | -30.4 | 0 | 0 | 0 | 109 | M333 | P331-M333 PolarHBondContact O-N 3.22Š|
| 332 | Q | 44.7 | Very low | 40.1 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | -70.1 | 105.8 | 167.6 | -69.8 | -173.2 | -21.3 | 0 | 0 | 108.4 | S330 | S330-Q332 PolarHBondContact O-N 3Š|
| 333 | M | 38.8 | Very low | 39.7 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | | | trans | -63.9 | 136 | 163.4 | -83.7 | -85.5 | -84 | 0 | 0 | 109.1 | P331 A335 | P331-M333 PolarHBondContact O-N 3.22Å; M333-A335 PolarHBondContact O-N 3.4Å; M333-A335 VanDerWaalsContact O-N 3.1Å |
| 334 | P | 43 | Very low | 39.4 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | | | trans | -68.2 | 111.7 | 176 | 9 | -2.7 | 0 | 0 | 0 | 109.8 | C336 | P334-C336 PolarHBondContact O-N 3.28Š|
| 335 | A | 40.3 | Very low | 39.7 | Very low | 88 Ų | 88 | 144.3 Ų | 144.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -73.1 | 103.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | M333 Y337 | M333-A335 PolarHBondContact O-N 3.4Å; M333-A335 VanDerWaalsContact O-N 3.1Å; A335-Y337 PolarHBondContact O-N 2.86Å |
| 336 | C | 34.4 | Very low | 39.3 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | -61.8 | 104.5 | 169.4 | -67 | 0 | 0 | 0 | 0 | 109.4 | P334 C338 | P334-C336 PolarHBondContact O-N 3.28Å; C336-C338 PolarHBondContact O-N 2.97Å |
| 337 | Y | 35.8 | Very low | 39.3 | Very low | 224 Ų | 224 | 140 Ų | 140 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | | | trans | -77.1 | 113.1 | 169.7 | -120.1 | -96 | 0 | 0 | 0 | 108.7 | A335 | A335-Y337 PolarHBondContact O-N 2.86Š|
| 338 | C | 35.8 | Very low | 39 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -110.1 | 123 | 164 | -88.9 | 0 | 0 | 0 | 0 | 109 | C336 | C336-C338 PolarHBondContact O-N 2.97Š|
| 339 | A | 34.7 | Very low | 38.7 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -73.9 | 153.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 340 | P | 39.2 | Very low | 37.9 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | trans | -83.5 | 121.5 | -174.8 | -5.9 | 24.7 | 0 | 0 | 0 | 113.6 | | |
| 341 | G | 37.1 | Very low | 37.6 | Very low | 60 Ų | 60 | 152.7 Ų | 152.7 | 62% | 0.619 | 82% | 0.819 | S | S | * | * | | | trans | 45.7 | 117.5 | 136.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 342 | H | 34.4 | Very low | 37.5 | Very low | 198 Ų | 198 | 152.3 Ų | 152.3 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | trans | -106.4 | 111.1 | 144.9 | -79.9 | -164.7 | 0 | 0 | 0 | 108.8 | | |
| 343 | Y | 33.7 | Very low | 37.3 | Very low | 217 Ų | 217 | 150.8 Ų | 150.8 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | trans | -72.7 | 141.6 | 172.2 | -87.3 | -99.6 | 0 | 0 | 0 | 110.7 | | |
| 344 | H | 32.5 | Very low | 37.4 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | | | trans | -131.4 | 125.4 | 148.2 | -102.3 | 74.4 | 0 | 0 | 0 | 109.5 | | |
| 345 | S | 41.5 | Very low | 37.2 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | trans | -76.4 | 131.1 | -178.7 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 346 | S | 31.4 | Very low | 37.3 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | | | trans | -153.8 | 104.2 | 155.6 | 58.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 347 | Q | 45.6 | Very low | 37.5 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | | | trans | -62.4 | 142.4 | 169.4 | -64.3 | -84.3 | -23.9 | 0 | 0 | 110.9 | | |
| 348 | P | 40.9 | Very low | 37.3 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | | | trans | -111.6 | 137.4 | 152 | 11.9 | 7.1 | 0 | 0 | 0 | 112.2 | | |
| 349 | Q | 36.7 | Very low | 37.1 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -60.5 | 131.7 | -179.1 | -67.9 | 150.5 | -68.6 | 0 | 0 | 112.6 | | |
| 350 | Y | 29.4 | Very low | 37.1 | Very low | 232 Ų | 232 | 149 Ų | 149 | 91% | 0.91 | 80% | 0.796 | S | S | * | * | | | trans | -60.6 | 131.8 | 169.8 | -111.3 | -101.3 | 0 | 0 | 0 | 111.4 | | |
| 351 | R | 36.3 | Very low | 37.3 | Very low | 226 Ų | 226 | 151.5 Ų | 151.5 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -112.2 | 128.5 | 158.7 | -150.4 | -173.9 | -158.8 | -136.9 | 7.3 | 108.3 | | |
| 352 | P | 40.7 | Very low | 37.6 | Very low | 116 Ų | 116 | 156.1 Ų | 156.1 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 133.5 | -179.6 | 24.5 | -25.5 | 0 | 0 | 0 | 111.7 | | |
| 353 | I | 40.8 | Very low | 37.7 | Very low | 154 Ų | 154 | 154.2 Ų | 154.2 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 137.2 | 170.4 | -59.7 | -71.5 | 0 | 0 | 0 | 108.3 | | |
| 354 | P | 40.3 | Very low | 37.9 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 143.3 | -178.2 | 27.1 | -33.3 | 0 | 0 | 0 | 113 | | |
| 355 | S | 40.3 | Very low | 38.2 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 132 | -179.1 | -51.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 356 | V | 40.9 | Very low | 38.1 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 123 | 169.5 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | H358 | V356-H358 PolarHBondContact O-N 2.9Š|
| 357 | H | 39.3 | Very low | 38.5 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | | | trans | -78.2 | 110.4 | 178.9 | -160.6 | -104.6 | 0 | 0 | 0 | 109.8 | | |
| 358 | H | 32.1 | Very low | 38 | Very low | 175 Ų | 175 | 151.6 Ų | 151.6 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -85.5 | 107.8 | 168.2 | -84.4 | -90.4 | 0 | 0 | 0 | 109.3 | V356 S360 | V356-H358 PolarHBondContact O-N 2.9Å; H358-S360 PolarHBondContact O-N 3.33Å |
| 359 | S | 30.5 | Very low | 37.9 | Very low | 84 Ų | 84 | 152.3 Ų | 152.3 | 59% | 0.587 | 80% | 0.803 | S | S | * | * | | | trans | -81.8 | 107.8 | 169.5 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | H361 | S359-H361 PolarHBondContact O-N 2.98Š|
| 360 | S | 35.9 | Very low | 37.8 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -80.7 | 99.3 | 169.1 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | H358 L362 | H358-S360 PolarHBondContact O-N 3.33Å; S360-L362 PolarHBondContact O-N 3.29Å |
| 361 | H | 43.3 | Very low | 38.4 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -86.1 | 86.1 | 167 | -80.3 | -88.9 | 0 | 0 | 0 | 110.1 | S359 | S359-H361 PolarHBondContact O-N 2.98Š|
| 362 | L | 43.1 | Very low | 38.5 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -80.3 | 144.6 | 152.9 | -92.4 | 148.4 | 0 | 0 | 0 | 108.3 | S360 | S360-L362 PolarHBondContact O-N 3.29Š|
| 363 | N | 36.7 | Very low | 38.3 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | 84.3 | 105.2 | 172.4 | -99.6 | 19.5 | 0 | 0 | 0 | 119.6 | | |
| 364 | Q | 36.9 | Very low | 37.9 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | -145.4 | 123.3 | 147.6 | -101.1 | -81.9 | 33.1 | 0 | 0 | 108.9 | | |
| 365 | P | 40.6 | Very low | 37.9 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 145.4 | 173.6 | 30.2 | -31 | 0 | 0 | 0 | 112.8 | | |
| 366 | L | 38.4 | Very low | 37.7 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 135.8 | 179.4 | -172.3 | 71.2 | 0 | 0 | 0 | 112.2 | | |
| 367 | P | 40.1 | Very low | 37.5 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80 | 133 | 167.1 | 7.4 | 6.2 | 0 | 0 | 0 | 111.9 | | |
| 368 | Q | 35.1 | Very low | 37.7 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72 | 151.3 | 175.3 | -69.6 | 162.1 | -0.2 | 0 | 0 | 112.2 | | |
| 369 | P | 38.3 | Very low | 38.8 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 124 | 170.8 | 30.9 | -30.2 | 0 | 0 | 0 | 111.5 | | |
| 370 | A | 35.9 | Very low | 39.1 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 120.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 371 | Q | 40.5 | Very low | 39.5 | Very low | 167 Ų | 167 | 148 Ų | 148 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 141.4 | 161.9 | -70.7 | -81.4 | 8.7 | 0 | 0 | 109.9 | | |
| 372 | H | 38.8 | Very low | 39.5 | Very low | 194 Ų | 194 | 147.2 Ų | 147.2 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | | | trans | -154.6 | 116 | 146.6 | -105.7 | -158.1 | 0 | 0 | 0 | 111.1 | | |
| 373 | T | 36.3 | Very low | 39.5 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | | | trans | -60.6 | 139.2 | 165.9 | -58 | 0 | 0 | 0 | 0 | 111.7 | | |
| 374 | G | 32.6 | Very low | 39.7 | Very low | 73 Ų | 73 | 147 Ų | 147 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | 177.7 | 107.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 375 | Y | 39.8 | Very low | 39.8 | Very low | 208 Ų | 208 | 152.4 Ų | 152.4 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | -52.5 | 149.3 | 177.2 | -61.4 | -101 | 0 | 0 | 0 | 115.5 | | |
| 376 | Q | 35.7 | Very low | 39.8 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | | | | 163.5 | 117.9 | 113.4 | -86 | -76.4 | 69.7 | 0 | 0 | 114.1 | | |
| 377 | V | 37.9 | Very low | 39.8 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 67% | 0.673 | 81% | 0.805 | S | S | * | * | | | trans | 57.3 | 112 | 131.1 | 174 | 0 | 0 | 0 | 0 | 120.4 | | |
| 378 | M | 43.9 | Very low | 39.8 | Very low | 163 Ų | 163 | 156.6 Ų | 156.6 | 80% | 0.803 | 81% | 0.809 | S | S | * | * | | | trans | -68.2 | 144.7 | 150.7 | -69.7 | 174.4 | 61.1 | 0 | 0 | 111.1 | | |
| 379 | P | 54.7 | Low | 40.1 | Very low | 120 Ų | 120 | 154.9 Ų | 154.9 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -106.9 | 115 | 143.4 | 22.2 | -6.8 | 0 | 0 | 0 | 110.1 | | |
| 380 | N | 36.9 | Very low | 40.2 | Very low | 114 Ų | 114 | 156.6 Ų | 156.6 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | | | trans | -56.9 | 135.8 | 152.7 | -170.9 | -76.9 | 0 | 0 | 0 | 109 | | |
| 381 | Q | 44.3 | Very low | 40.5 | Very low | 192 Ų | 192 | 160.2 Ų | 160.2 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | | | trans | -154.5 | 139.1 | 139.6 | -78.9 | -140.9 | 81.2 | 0 | 0 | 111.5 | | |
| 382 | Q | 43.6 | Very low | 40.5 | Very low | 164 Ų | 164 | 159.7 Ų | 159.7 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -81.9 | 163.6 | -172.8 | -67.2 | 162.2 | 4.5 | 0 | 0 | 113 | | |
| 383 | Q | 41.8 | Very low | 40.6 | Very low | 184 Ų | 184 | 157.1 Ų | 157.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | 11.1 | 128.2 | 152.5 | -64.5 | -163.5 | -1.3 | 0 | 0 | 120.1 | | |
| 384 | N | 40.7 | Very low | 41 | Very low | 127 Ų | 127 | 159.8 Ų | 159.8 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | | | | -167.1 | 150.7 | 119.4 | -141.8 | -80.7 | 0 | 0 | 0 | 113 | | |
| 385 | Y | 40.1 | Very low | 41.8 | Very low | 293 Ų | 293 | 167.6 Ų | 167.6 | 100% | 1.149 | 80% | 0.802 | S | S | * | * | | | trans | 83.8 | 0 | 173.9 | -62.3 | -72.6 | 0 | 0 | 0 | 119.3 | | |