| 1 | M | 48.3 | Very low | 63.2 | Low | 222 Ų | 222 | 128.5 Ų | 128.5 | 100% | 1.094 | 63% | 0.627 | S | S | * | * | | | | 0 | 132.7 | 0 | -72.3 | -177 | -115.4 | 0 | 0 | 108.4 | L3 | M1-L3 HydrophobicContact CB-CD1 4.03Š|
| 2 | H | 52.7 | Low | 63.4 | Low | 195 Ų | 195 | 128.9 Ų | 128.9 | 90% | 0.903 | 63% | 0.627 | S | S | * | * | | | trans | -91.9 | 97.9 | 171.1 | -72.4 | -107.7 | 0 | 0 | 0 | 108 | | |
| 3 | L | 56.4 | Low | 63.9 | Low | 103 Ų | 103 | 130.2 Ų | 130.2 | 54% | 0.539 | 62% | 0.623 | S | S | . | * | | | trans | -73.4 | 131.5 | 170.9 | -76.7 | 76.3 | 0 | 0 | 0 | 108.3 | M1 L8 Y11 | M1-L3 HydrophobicContact CB-CD1 4.03Å; L3-L8 HydrophobicContact CB-CD1 3.68Å; L3-L8 HydrophobicContact CD2-CD1 4.28Å; L3-Y11 HydrophobicContact CD2-CE2 4.43Å |
| 4 | T | 66.3 | Low | 64.2 | Low | 75 Ų | 75 | 127.2 Ų | 127.2 | 46% | 0.46 | 61% | 0.611 | S | S | . | * | | | trans | -80.5 | 159.3 | 178.2 | 77.7 | 0 | 0 | 0 | 0 | 110.3 | M6 D7 L8 | T4-M6 PolarHBondContact O-N 3.39Å; T4-M6 VanDerWaalsContact O-N 3.15Å; T4-D7 WeakPolarHBondContact CA-OD2 3.34Å; T4-D7 VanDerWaalsContact CB-OD2 3.28Å; T4-D7 WeakPolarHBondContact CB-OD2 3.35Å; T4-D7 PolarHBondContact N-OD2 3.06Å; T4-D7 WeakPolarHBondContact O-CB 3.3Å; T4-D7 PolarHBondContact O-N 2.96Å; T4-D7 VanDerWaalsContact OG1-CG 3.23Å; T4-D7 PolarHBondContact OG1-OD2 2.82Å; T4-L8 WeakPolarHBondContact O-CD1 3.5Å; T4-L8 PolarHBondContact O-N 3.16Å |
| 5 | K | 65.3 | Low | 64.3 | Low | 176 Ų | 176 | 126.7 Ų | 126.7 | 77% | 0.765 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.5 | -23.9 | 179.4 | -173.1 | 167.4 | 179.3 | 170.6 | 0 | 113.1 | L9 | K5-L9 WeakPolarHBondContact O-CG 3.45Å; K5-L9 PolarHBondContact O-N 2.74Å |
| 6 | M | 67.8 | Low | 64.7 | Low | 141 Ų | 141 | 129.3 Ų | 129.3 | 70% | 0.695 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.5 | -38.3 | 174.1 | -61.5 | -59 | -66.5 | 0 | 0 | 111.5 | T4 L9 N10 | T4-M6 PolarHBondContact O-N 3.39Å; T4-M6 VanDerWaalsContact O-N 3.15Å; M6-L9 PolarHBondContact O-N 2.9Å; M6-N10 PolarHBondContact O-N 3.19Å |
| 7 | D | 66.9 | Low | 64.8 | Low | 62 Ų | 62 | 129.4 Ų | 129.4 | 33% | 0.332 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.6 | -44.7 | 178.5 | -53.8 | -47.7 | 0 | 0 | 0 | 110.8 | T4 L9 N10 Y11 | T4-D7 WeakPolarHBondContact CA-OD2 3.34Å; T4-D7 VanDerWaalsContact CB-OD2 3.28Å; T4-D7 WeakPolarHBondContact CB-OD2 3.35Å; T4-D7 PolarHBondContact N-OD2 3.06Å; T4-D7 WeakPolarHBondContact O-CB 3.3Å; T4-D7 PolarHBondContact O-N 2.96Å; T4-D7 VanDerWaalsContact OG1-CG 3.23Å; T4-D7 PolarHBondContact OG1-OD2 2.82Å; D7-L9 VanDerWaalsContact C-N 3.32Å; D7-L9 PolarHBondContact O-N 3.31Å; D7-N10 WeakPolarHBondContact O-CB 3.37Å; D7-N10 PolarHBondContact O-N 3.26Å; D7-N10 VanDerWaalsContact O-N 3.13Å; D7-Y11 HydrophobicContact CB-CD2 4.45Å; D7-Y11 HydrophobicContact CB-CE2 4.46Å; D7-Y11 WeakPolarHBondContact O-CD2 3.37Å; D7-Y11 PolarHBondContact O-N 2.82Å |
| 8 | L | 68.2 | Low | 64.6 | Low | 96 Ų | 96 | 126.1 Ų | 126.1 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.4 | -40.1 | 177.9 | -84.8 | 78.7 | 0 | 0 | 0 | 112.5 | L3 T4 N10 Q12 | L3-L8 HydrophobicContact CB-CD1 3.68Å; L3-L8 HydrophobicContact CD2-CD1 4.28Å; T4-L8 WeakPolarHBondContact O-CD1 3.5Å; T4-L8 PolarHBondContact O-N 3.16Å; L8-N10 VanDerWaalsContact C-N 3.34Å; L8-Q12 VanDerWaalsContact O-CB 3.32Å; L8-Q12 WeakPolarHBondContact O-CB 3.38Å; L8-Q12 PolarHBondContact O-N 3.15Å |
| 9 | L | 68.7 | Low | 64.5 | Low | 100 Ų | 100 | 126.7 Ų | 126.7 | 52% | 0.524 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.7 | -36.4 | 176.4 | -69.9 | 171.8 | 0 | 0 | 0 | 111.7 | K5 M6 D7 Y13 | K5-L9 WeakPolarHBondContact O-CG 3.45Å; K5-L9 PolarHBondContact O-N 2.74Å; M6-L9 PolarHBondContact O-N 2.9Å; D7-L9 VanDerWaalsContact C-N 3.32Å; D7-L9 PolarHBondContact O-N 3.31Å; L9-Y13 VanDerWaalsContact O-CB 3.27Å; L9-Y13 WeakPolarHBondContact O-CB 3.28Å; L9-Y13 PolarHBondContact O-N 3.42Å |
| 10 | N | 67.6 | Low | 63.8 | Low | 92 Ų | 92 | 128.7 Ų | 128.7 | 49% | 0.492 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.2 | -46.5 | 175.2 | -166.4 | 28.6 | 0 | 0 | 0 | 111.4 | M6 D7 L8 Q12 Y13 L14 | M6-N10 PolarHBondContact O-N 3.19Å; D7-N10 WeakPolarHBondContact O-CB 3.37Å; D7-N10 PolarHBondContact O-N 3.26Å; D7-N10 VanDerWaalsContact O-N 3.13Å; L8-N10 VanDerWaalsContact C-N 3.34Å; N10-Q12 PolarHBondContact O-N 3.46Å; N10-Y13 PolarHBondContact O-N 3.06Å; N10-L14 WeakPolarHBondContact O-CB 3.5Å; N10-L14 VanDerWaalsContact O-CG 3.28Å; N10-L14 WeakPolarHBondContact O-CG 3.33Å; N10-L14 PolarHBondContact O-N 2.91Å |
| 11 | Y | 67.3 | Low | 63.3 | Low | 152 Ų | 152 | 127.7 Ų | 127.7 | 60% | 0.596 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60 | -44.9 | 174.1 | -81.4 | -68 | 0 | 0 | 0 | 112.1 | L3 D7 Y13 L14 D15 | L3-Y11 HydrophobicContact CD2-CE2 4.43Å; D7-Y11 HydrophobicContact CB-CD2 4.45Å; D7-Y11 HydrophobicContact CB-CE2 4.46Å; D7-Y11 WeakPolarHBondContact O-CD2 3.37Å; D7-Y11 PolarHBondContact O-N 2.82Å; Y11-Y13 VanDerWaalsContact C-N 3.34Å; Y11-Y13 PolarHBondContact O-N 2.91Å; Y11-L14 PolarHBondContact O-N 3.48Å; Y11-D15 VanDerWaalsContact O-CB 3.22Å; Y11-D15 WeakPolarHBondContact O-CB 3.3Å; Y11-D15 PolarHBondContact O-N 3.17Å |
| 12 | Q | 65.7 | Low | 63.5 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 62% | 0.621 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.2 | -30 | 179.5 | -167.2 | 170.3 | 27.2 | 0 | 0 | 112.8 | L8 N10 K16 | L8-Q12 VanDerWaalsContact O-CB 3.32Å; L8-Q12 WeakPolarHBondContact O-CB 3.38Å; L8-Q12 PolarHBondContact O-N 3.15Å; N10-Q12 PolarHBondContact O-N 3.46Å; Q12-K16 WeakPolarHBondContact O-CB 3.23Å; Q12-K16 PolarHBondContact O-N 2.82Å; Q12-K16 VanDerWaalsContact O-N 3.11Å |
| 13 | Y | 69.2 | Low | 63.5 | Low | 146 Ų | 146 | 118.7 Ų | 118.7 | 57% | 0.573 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69 | -47.4 | 171.1 | 175.1 | -103.7 | 0 | 0 | 0 | 111.5 | L9 N10 Y11 K16 M17 | L9-Y13 VanDerWaalsContact O-CB 3.27Å; L9-Y13 WeakPolarHBondContact O-CB 3.28Å; L9-Y13 PolarHBondContact O-N 3.42Å; N10-Y13 PolarHBondContact O-N 3.06Å; Y11-Y13 VanDerWaalsContact C-N 3.34Å; Y11-Y13 PolarHBondContact O-N 2.91Å; Y13-K16 PolarHBondContact O-N 3.44Å; Y13-M17 HydrophobicContact CD2-CG 4.34Å; Y13-M17 HydrophobicContact CE1-CG 4.19Å; Y13-M17 HydrophobicContact CE2-CG 3.93Å; Y13-M17 HydrophobicContact CE2-SD 4.33Å; Y13-M17 WeakPolarHBondContact O-CB 3.46Å; Y13-M17 VanDerWaalsContact O-CG 3.28Å; Y13-M17 WeakPolarHBondContact O-CG 3.47Å; Y13-M17 PolarHBondContact O-N 3.49Å |
| 14 | L | 68.2 | Low | 63.3 | Low | 88 Ų | 88 | 120.8 Ų | 120.8 | 46% | 0.461 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59.1 | -53.5 | 176.1 | -71.7 | 167.8 | 0 | 0 | 0 | 110.4 | N10 Y11 K16 M17 N18 | N10-L14 WeakPolarHBondContact O-CB 3.5Å; N10-L14 VanDerWaalsContact O-CG 3.28Å; N10-L14 WeakPolarHBondContact O-CG 3.33Å; N10-L14 PolarHBondContact O-N 2.91Å; Y11-L14 PolarHBondContact O-N 3.48Å; L14-K16 VanDerWaalsContact C-N 3.33Å; L14-K16 PolarHBondContact O-N 3.35Å; L14-M17 CarbonylContact O-C 3.53Å; L14-M17 PolarHBondContact O-N 3.28Å; L14-N18 WeakPolarHBondContact O-CB 3.43Å; L14-N18 PolarHBondContact O-N 3.46Å |
| 15 | D | 66.5 | Low | 62.3 | Low | 120 Ų | 120 | 123 Ų | 123 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -53.5 | -46 | 177.7 | -172.9 | 61.8 | 0 | 0 | 0 | 112.4 | Y11 M17 N18 | Y11-D15 VanDerWaalsContact O-CB 3.22Å; Y11-D15 WeakPolarHBondContact O-CB 3.3Å; Y11-D15 PolarHBondContact O-N 3.17Å; D15-M17 VanDerWaalsContact C-N 3.33Å; D15-M17 PolarHBondContact O-N 2.94Å; D15-N18 CarbonylContact O-C 3.57Å; D15-N18 PolarHBondContact O-N 2.94Å; D15-N18 VanDerWaalsContact O-N 3.09Å |
| 16 | K | 70.3 | Confident | 61.1 | Low | 167 Ų | 167 | 124.8 Ų | 124.8 | 73% | 0.726 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.3 | -25.5 | 178.6 | -172.7 | 164.7 | -178.9 | -75.4 | 0 | 114.2 | Q12 Y13 L14 | Q12-K16 WeakPolarHBondContact O-CB 3.23Å; Q12-K16 PolarHBondContact O-N 2.82Å; Q12-K16 VanDerWaalsContact O-N 3.11Å; Y13-K16 PolarHBondContact O-N 3.44Å; L14-K16 VanDerWaalsContact C-N 3.33Å; L14-K16 PolarHBondContact O-N 3.35Å |
| 17 | M | 66.4 | Low | 59.9 | Low | 132 Ų | 132 | 127.8 Ų | 127.8 | 65% | 0.65 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -84 | -25.4 | 170.5 | -69.5 | -66.4 | -67.4 | 0 | 0 | 111.9 | Y13 L14 D15 N19 | Y13-M17 HydrophobicContact CD2-CG 4.34Å; Y13-M17 HydrophobicContact CE1-CG 4.19Å; Y13-M17 HydrophobicContact CE2-CG 3.93Å; Y13-M17 HydrophobicContact CE2-SD 4.33Å; Y13-M17 WeakPolarHBondContact O-CB 3.46Å; Y13-M17 VanDerWaalsContact O-CG 3.28Å; Y13-M17 WeakPolarHBondContact O-CG 3.47Å; Y13-M17 PolarHBondContact O-N 3.49Å; L14-M17 CarbonylContact O-C 3.53Å; L14-M17 PolarHBondContact O-N 3.28Å; D15-M17 VanDerWaalsContact C-N 3.33Å; D15-M17 PolarHBondContact O-N 2.94Å; M17-N19 VanDerWaalsContact C-N 3.28Å; M17-N19 PolarHBondContact O-N 3.13Å |
| 18 | N | 62.1 | Low | 58.9 | Low | 70 Ų | 70 | 126.5 Ų | 126.5 | 37% | 0.374 | 65% | 0.645 | S | S | . | * | | | trans | -94.5 | 35.1 | -170.7 | -162.4 | 59 | 0 | 0 | 0 | 112.8 | L14 D15 N20 I21 | L14-N18 WeakPolarHBondContact O-CB 3.43Å; L14-N18 PolarHBondContact O-N 3.46Å; D15-N18 CarbonylContact O-C 3.57Å; D15-N18 PolarHBondContact O-N 2.94Å; D15-N18 VanDerWaalsContact O-N 3.09Å; N18-N20 PolarHBondContact O-N 3.44Å; N18-I21 PolarHBondContact ND2-O 3.21Å; N18-I21 PolarHBondContact O-N 3.19Å; N18-I21 WeakPolarHBondContact OD1-CB 3.38Å |
| 19 | N | 61 | Low | 57.6 | Low | 137 Ų | 137 | 131.4 Ų | 131.4 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 28.6 | -167 | -157.9 | 4.6 | 0 | 0 | 0 | 114.8 | M17 | M17-N19 VanDerWaalsContact C-N 3.28Å; M17-N19 PolarHBondContact O-N 3.13Å |
| 20 | N | 51.6 | Low | 56.1 | Low | 166 Ų | 166 | 131.5 Ų | 131.5 | 89% | 0.888 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.9 | 1.6 | 170.1 | -97.9 | -34.8 | 0 | 0 | 0 | 115.3 | N18 G22 | N18-N20 PolarHBondContact O-N 3.44Å; N20-G22 PolarHBondContact O-N 2.71Å |
| 21 | I | 53.1 | Low | 54.6 | Low | 109 Ų | 109 | 131.5 Ų | 131.5 | 56% | 0.559 | 69% | 0.694 | S | S | * | * | | | trans | -98.6 | 89.8 | 174.1 | -60.5 | 163.2 | 0 | 0 | 0 | 107.5 | N18 I23 | N18-I21 PolarHBondContact ND2-O 3.21Å; N18-I21 PolarHBondContact O-N 3.19Å; N18-I21 WeakPolarHBondContact OD1-CB 3.38Å; I21-I23 PolarHBondContact O-N 3.29Å |
| 22 | G | 52.1 | Low | 53.5 | Low | 56 Ų | 56 | 133.1 Ų | 133.1 | 58% | 0.577 | 71% | 0.712 | S | S | * | * | | | trans | -58.1 | 130 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | N20 L24 | N20-G22 PolarHBondContact O-N 2.71Å; G22-L24 PolarHBondContact O-N 2.79Å |
| 23 | I | 53.5 | Low | 52.4 | Low | 172 Ų | 172 | 138 Ų | 138 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | | | trans | 17.7 | 77.8 | 148.5 | -47.5 | 177.1 | 0 | 0 | 0 | 113.6 | I21 | I21-I23 PolarHBondContact O-N 3.29Š|
| 24 | L | 52.7 | Low | 50.7 | Low | 146 Ų | 146 | 134.7 Ų | 134.7 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | trans | -103.4 | 136 | 161.3 | -72.9 | 171 | 0 | 0 | 0 | 107.8 | G22 | G22-L24 PolarHBondContact O-N 2.79Š|
| 25 | C | 44.6 | Very low | 49.1 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | | | trans | 77 | 72.9 | 175.4 | -51.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 26 | Y | 39.4 | Very low | 48.1 | Very low | 212 Ų | 212 | 136.8 Ų | 136.8 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | | | | -139.2 | 46.6 | 120.4 | -145.8 | -90.4 | 0 | 0 | 0 | 112 | G28 | Y26-G28 WeakPolarHBondContact CE1-O 3.14Å; Y26-G28 PolarHBondContact O-N 2.9Å |
| 27 | E | 43.3 | Very low | 46.7 | Very low | 204 Ų | 204 | 138.9 Ų | 138.9 | 95% | 0.953 | 76% | 0.755 | S | S | * | * | | | trans | -79.2 | 73.1 | 163.2 | -169.6 | 82.7 | -144.5 | 0 | 0 | 107.8 | | |
| 28 | G | 46.1 | Very low | 45.5 | Very low | 36 Ų | 36 | 143 Ų | 143 | 37% | 0.371 | 77% | 0.769 | S | S | . | * | S | Bend | trans | -154.6 | 94.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y26 | Y26-G28 WeakPolarHBondContact CE1-O 3.14Å; Y26-G28 PolarHBondContact O-N 2.9Å |
| 29 | E | 41.3 | Very low | 44.3 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 58.1 | 92.5 | -177.1 | -61.4 | -153.8 | 129.5 | 0 | 0 | 116.8 | | |
| 30 | A | 36.1 | Very low | 42.7 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | | 171.4 | 104.2 | 122.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 31 | A | 37.1 | Very low | 41.9 | Very low | 92 Ų | 92 | 147 Ų | 147 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | 168.7 | 75.4 | 141.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R33 | A31-R33 PolarHBondContact O-N 3.36Š|
| 32 | L | 42.7 | Very low | 40.9 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 97% | 0.974 | 80% | 0.801 | S | S | * | * | | | trans | -72.7 | 67.9 | 158.4 | -70.5 | -179 | 0 | 0 | 0 | 110.7 | | |
| 33 | R | 43.1 | Very low | 40 | Very low | 236 Ų | 236 | 152.6 Ų | 152.6 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | | | trans | -178.3 | 131 | 163.2 | -116.4 | 176.1 | 170 | -92.5 | 0.3 | 113.8 | A31 | A31-R33 PolarHBondContact O-N 3.36Š|
| 34 | G | 33.4 | Very low | 38.9 | Very low | 75 Ų | 75 | 149.7 Ų | 149.7 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | 111.8 | 90.4 | 145.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 35 | D | 34.3 | Very low | 37.7 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 81% | 0.807 | 82% | 0.819 | S | S | * | * | | | trans | -64.5 | 144.8 | 139.5 | -161.8 | 40.1 | 0 | 0 | 0 | 107 | | |
| 36 | P | 47.1 | Very low | 37.1 | Very low | 101 Ų | 101 | 148.6 Ų | 148.6 | 66% | 0.656 | 82% | 0.819 | S | S | * | * | | | | -146.5 | 160.9 | 56.1 | 40.2 | -19.7 | 0 | 0 | 0 | 118.9 | | |
| 37 | R | 40.2 | Very low | 36.7 | Very low | 212 Ų | 212 | 144.2 Ų | 144.2 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | | | trans | 29.8 | 117.8 | 140.4 | -63.8 | 172.6 | 164.9 | 165.3 | -4.7 | 118.9 | | |
| 38 | F | 40.5 | Very low | 36.2 | Very low | 217 Ų | 217 | 139.7 Ų | 139.7 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | | | | -148.8 | 130.9 | 128.9 | -85.7 | -65.6 | 0 | 0 | 0 | 112.3 | | |
| 39 | Q | 36.6 | Very low | 35.6 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | | | trans | -104.4 | 131.6 | 167.6 | -64.8 | 175.2 | 2.2 | 0 | 0 | 108.7 | | |
| 40 | S | 28.5 | Very low | 35.2 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | | | trans | 165.4 | 148.9 | 154.4 | -82.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 41 | L | 35.1 | Very low | 35 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | | | cis | -155.3 | 154.3 | -13.3 | -111.5 | 166.8 | 0 | 0 | 0 | 107.4 | | |
| 42 | S | 32.2 | Very low | 34.8 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | | | trans | -69.6 | 139.7 | -175.3 | -47 | 0 | 0 | 0 | 0 | 113.5 | | |
| 43 | L | 32.2 | Very low | 34.4 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | | | trans | -122.9 | 114.7 | 152.5 | -75.5 | 175.6 | 0 | 0 | 0 | 109 | | |
| 44 | S | 29.9 | Very low | 33.9 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -79.8 | 137.8 | -175 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 45 | S | 28.5 | Very low | 33.9 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -151.2 | 129.5 | 144 | -82.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 46 | S | 32.3 | Very low | 34.3 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -88.1 | 138.1 | -165.6 | 48.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 47 | S | 31.4 | Very low | 34.1 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -159.8 | 133.5 | 140.6 | 41.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 48 | S | 32.1 | Very low | 33.9 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | -63.7 | 141.7 | 173.6 | 48.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 49 | S | 32.5 | Very low | 34.2 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | 163.7 | 105.4 | 134 | 39 | 0 | 0 | 0 | 0 | 109.5 | | |
| 50 | S | 32.6 | Very low | 34.4 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | | 61.9 | 101.8 | 86.4 | 70.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 51 | S | 32 | Very low | 35.7 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | 69.8 | 131.9 | 146.4 | -43.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 52 | S | 34.7 | Very low | 36.5 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | cis | -158.6 | -178.9 | -0.2 | -28.9 | 0 | 0 | 0 | 0 | 107 | | |
| 53 | S | 32.8 | Very low | 37.4 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | cis | -167.8 | 141.5 | -6 | 30.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 54 | S | 32.8 | Very low | 38.7 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | -144.3 | 82.9 | 172.6 | 45.5 | 0 | 0 | 0 | 0 | 111.5 | I56 | S54-I56 VanDerWaalsContact C-N 3.35Å; S54-I56 PolarHBondContact O-N 3.24Å |
| 55 | S | 34.7 | Very low | 39.9 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | | | trans | -73.1 | 84.6 | 176.1 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | S57 | S55-S57 PolarHBondContact O-N 3.01Š|
| 56 | I | 42.1 | Very low | 41.2 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | | | trans | -65.7 | 124.4 | 164.5 | 54 | 136 | 0 | 0 | 0 | 109.9 | S54 S58 | S54-I56 VanDerWaalsContact C-N 3.35Å; S54-I56 PolarHBondContact O-N 3.24Å; I56-S58 PolarHBondContact O-N 2.92Å |
| 57 | S | 43.5 | Very low | 42.1 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -72 | 121.1 | 176.2 | -177 | 0 | 0 | 0 | 0 | 110.4 | S55 | S55-S57 PolarHBondContact O-N 3.01Š|
| 58 | S | 35.3 | Very low | 42.9 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | | | trans | -156.4 | 92.4 | 161.6 | -83.9 | 0 | 0 | 0 | 0 | 111.5 | I56 R60 | I56-S58 PolarHBondContact O-N 2.92Å; S58-R60 PolarHBondContact O-N 2.95Å |
| 59 | H | 46.5 | Very low | 43.6 | Very low | 175 Ų | 175 | 124.8 Ų | 124.8 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | 35.7 | 82.5 | 144.3 | -52.8 | -75.9 | 0 | 0 | 0 | 118.5 | | |
| 60 | R | 41.1 | Very low | 44.5 | Very low | 248 Ų | 248 | 129.1 Ų | 129.1 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | | | trans | -129.5 | 131.6 | 141.7 | -82.1 | -166.5 | 166.9 | -118.8 | -3.4 | 111.5 | S58 | S58-R60 PolarHBondContact O-N 2.95Š|
| 61 | T | 55.4 | Low | 45.7 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | | | trans | -52.8 | 124.9 | -174 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 62 | G | 52.1 | Low | 46.5 | Very low | 63 Ų | 63 | 138.4 Ų | 138.4 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | trans | -158 | 138.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 63 | P | 51.5 | Low | 46.7 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 144.2 | -179.4 | 28.7 | -34.1 | 0 | 0 | 0 | 110.7 | | |
| 64 | P | 59 | Low | 47.3 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 148.7 | -179.9 | 27.3 | -34.6 | 0 | 0 | 0 | 111.5 | I66 | P64-I66 PolarHBondContact O-N 3.25Š|
| 65 | P | 54.5 | Low | 47.7 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63 | 131.8 | -179.9 | 25.7 | -33.6 | 0 | 0 | 0 | 111.4 | S67 | P65-S67 PolarHBondContact O-N 3.25Š|
| 66 | I | 56.9 | Low | 48.3 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -77.4 | 109.5 | -170.1 | -50.5 | 169.1 | 0 | 0 | 0 | 109.9 | P64 | P64-I66 PolarHBondContact O-N 3.25Š|
| 67 | S | 50.6 | Low | 48.6 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | -62.6 | 127.9 | 173.3 | -49.7 | 0 | 0 | 0 | 0 | 111 | P65 T69 | P65-S67 PolarHBondContact O-N 3.25Å; S67-T69 PolarHBondContact O-N 3.2Å |
| 68 | P | 47.7 | Very low | 48.6 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -72.9 | 87.7 | -178.9 | 29 | -34.3 | 0 | 0 | 0 | 111.4 | K70 | P68-K70 PolarHBondContact O-N 3.3Š|
| 69 | T | 47.3 | Very low | 49.3 | Very low | 108 Ų | 108 | 143 Ų | 143 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | | | trans | -71.4 | 104.9 | 169.4 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | S67 | S67-T69 PolarHBondContact O-N 3.2Š|
| 70 | K | 51.7 | Low | 49.4 | Very low | 200 Ų | 200 | 138.2 Ų | 138.2 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | | | trans | -117.7 | 82.3 | 165 | -81.5 | -76.1 | -176.2 | 171.7 | 0 | 110 | P68 | P68-K70 PolarHBondContact O-N 3.3Š|
| 71 | R | 58.3 | Low | 50 | Low | 219 Ų | 219 | 134.2 Ų | 134.2 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | | | trans | -74.8 | 153.1 | 161.8 | -111 | -175.2 | -68.1 | 155 | -1 | 110 | | |
| 72 | K | 48.2 | Very low | 50 | Low | 191 Ų | 191 | 134.6 Ų | 134.6 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | trans | 77.8 | 91.4 | 155.4 | -161.6 | -175.1 | 179 | -170.8 | 0 | 117.1 | | |
| 73 | L | 39.5 | Very low | 50.1 | Low | 175 Ų | 175 | 136.3 Ų | 136.3 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | | | | -107.4 | 144.9 | 121.3 | -148.1 | 80.2 | 0 | 0 | 0 | 107.9 | | |
| 74 | S | 45.5 | Very low | 50.4 | Low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -88.6 | 145 | 176.4 | -163.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 75 | G | 39.8 | Very low | 50.3 | Low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | | | trans | -177.2 | 75.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 76 | D | 48.1 | Very low | 50.2 | Low | 150 Ų | 150 | 136.7 Ų | 136.7 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | trans | -65.1 | 161.7 | 164.3 | 178.5 | 42 | 0 | 0 | 0 | 110.3 | | |
| 77 | Q | 47.3 | Very low | 50.4 | Low | 175 Ų | 175 | 134.2 Ų | 134.2 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | 111.6 | 123.3 | 166.2 | -152.2 | 74.6 | 73.6 | 0 | 0 | 116.4 | | |
| 78 | G | 44.5 | Very low | 50.7 | Low | 62 Ų | 62 | 134.4 Ų | 134.4 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | | | trans | 121.1 | 77.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 79 | D | 49.1 | Very low | 51.2 | Low | 154 Ų | 154 | 131.1 Ų | 131.1 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | | | trans | -54.8 | 125.3 | 141.1 | 168.5 | 28.9 | 0 | 0 | 0 | 109.4 | | |
| 80 | S | 48.8 | Very low | 51.8 | Low | 74 Ų | 74 | 133.3 Ų | 133.3 | 52% | 0.517 | 71% | 0.712 | S | S | . | * | | | trans | -168.4 | 111.7 | 158.4 | 64.4 | 0 | 0 | 0 | 0 | 110.6 | M82 | S80-M82 PolarHBondContact O-N 3.43Š|
| 81 | D | 54.1 | Low | 51.7 | Low | 163 Ų | 163 | 132.2 Ų | 132.2 | 87% | 0.872 | 71% | 0.712 | S | S | * | * | | | trans | -57.3 | 104.2 | 166 | -65.9 | -67.5 | 0 | 0 | 0 | 110.6 | D83 | D81-D83 PolarHBondContact O-N 3.49Š|
| 82 | M | 56.5 | Low | 51.4 | Low | 160 Ų | 160 | 126.4 Ų | 126.4 | 79% | 0.788 | 71% | 0.705 | S | S | * | * | | | trans | -100.5 | 79.8 | -177.8 | -82.1 | -72.2 | 172.4 | 0 | 0 | 112.1 | S80 | S80-M82 PolarHBondContact O-N 3.43Š|
| 83 | D | 52.8 | Low | 52 | Low | 98 Ų | 98 | 128.4 Ų | 128.4 | 52% | 0.524 | 71% | 0.707 | S | S | . | * | | | trans | 28.2 | 96.2 | 148.3 | -158.5 | -112.2 | 0 | 0 | 0 | 116.9 | D81 N85 E86 | D81-D83 PolarHBondContact O-N 3.49Å; D83-N85 PolarHBondContact O-N 2.83Å; D83-N85 VanDerWaalsContact OD1-CB 3.24Å; D83-N85 WeakPolarHBondContact OD1-CB 3.18Å; D83-N85 PolarHBondContact OD1-N 2.98Å; D83-N85 PolarHBondContact OD1-ND2 3.35Å; D83-E86 PolarHBondContact O-N 3.35Å |
| 84 | D | 57.2 | Low | 52.8 | Low | 138 Ų | 138 | 127 Ų | 127 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 3.3 | 170.4 | -86.3 | -53.9 | 0 | 0 | 0 | 114.3 | H87 | D84-H87 PolarHBondContact O-CE1 3Å; D84-H87 PolarHBondContact O-ND1 3.3Å; D84-H87 IonicContact OD1-CE1 3.81Å; D84-H87 PolarHBondContact OD1-CE1 3.03Å; D84-H87 VanDerWaalsContact OD1-CE1 3.23Å; D84-H87 IonicContact OD1-ND1 2.75Å |
| 85 | N | 57.1 | Low | 53.2 | Low | 111 Ų | 111 | 131.2 Ų | 131.2 | 59% | 0.594 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -16 | -174.8 | 150.1 | 92 | 0 | 0 | 0 | 113.8 | D83 V88 | D83-N85 PolarHBondContact O-N 2.83Å; D83-N85 VanDerWaalsContact OD1-CB 3.24Å; D83-N85 WeakPolarHBondContact OD1-CB 3.18Å; D83-N85 PolarHBondContact OD1-N 2.98Å; D83-N85 PolarHBondContact OD1-ND2 3.35Å; N85-V88 WeakPolarHBondContact O-CG2 3.48Å |
| 86 | E | 54.2 | Low | 53.3 | Low | 119 Ų | 119 | 132.6 Ų | 132.6 | 56% | 0.556 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -78.9 | -30.8 | 175 | -164.9 | -178 | 147.4 | 0 | 0 | 113.6 | D83 V88 A89 K90 | D83-E86 PolarHBondContact O-N 3.35Å; E86-V88 VanDerWaalsContact C-N 3.35Å; E86-V88 PolarHBondContact O-N 3.28Å; E86-A89 PolarHBondContact O-N 3.38Å; E86-K90 IonicContact OE1-NZ 3.81Å; E86-K90 PolarHBondContact OE1-NZ 2.8Å |
| 87 | H | 59.4 | Low | 52.9 | Low | 114 Ų | 114 | 130 Ų | 130 | 53% | 0.528 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.7 | -25 | -171.6 | 66.7 | -105.8 | 0 | 0 | 0 | 113.7 | D84 | D84-H87 PolarHBondContact O-CE1 3Å; D84-H87 PolarHBondContact O-ND1 3.3Å; D84-H87 IonicContact OD1-CE1 3.81Å; D84-H87 PolarHBondContact OD1-CE1 3.03Å; D84-H87 VanDerWaalsContact OD1-CE1 3.23Å; D84-H87 IonicContact OD1-ND1 2.75Å |
| 88 | V | 57.3 | Low | 52.7 | Low | 96 Ų | 96 | 129.4 Ų | 129.4 | 58% | 0.582 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -25.1 | 173.9 | -66.7 | 0 | 0 | 0 | 0 | 113.3 | N85 E86 K90 | N85-V88 WeakPolarHBondContact O-CG2 3.48Å; E86-V88 VanDerWaalsContact C-N 3.35Å; E86-V88 PolarHBondContact O-N 3.28Å; V88-K90 VanDerWaalsContact C-N 3.33Å; V88-K90 PolarHBondContact O-N 2.64Å |
| 89 | A | 59.4 | Low | 52.7 | Low | 60 Ų | 60 | 134.8 Ų | 134.8 | 50% | 0.496 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -73.7 | -21.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E86 M91 S92 | E86-A89 PolarHBondContact O-N 3.38Å; A89-M91 VanDerWaalsContact C-N 3.3Å; A89-M91 PolarHBondContact O-N 2.89Å; A89-S92 PolarHBondContact O-N 3.05Å |
| 90 | K | 58.8 | Low | 52.3 | Low | 155 Ų | 155 | 136.1 Ų | 136.1 | 67% | 0.674 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -75 | -9.9 | -175.5 | -84.7 | 168.7 | 177 | 133.1 | 0 | 115.2 | E86 V88 | E86-K90 IonicContact OE1-NZ 3.81Å; E86-K90 PolarHBondContact OE1-NZ 2.8Å; V88-K90 VanDerWaalsContact C-N 3.33Å; V88-K90 PolarHBondContact O-N 2.64Å |
| 91 | M | 50.9 | Low | 51.9 | Low | 176 Ų | 176 | 138.7 Ų | 138.7 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -107.5 | -7.3 | 173.3 | -69.8 | -61.8 | -65.3 | 0 | 0 | 114.1 | A89 R93 | A89-M91 VanDerWaalsContact C-N 3.3Å; A89-M91 PolarHBondContact O-N 2.89Å; M91-R93 PolarHBondContact O-N 2.9Å |
| 92 | S | 51.6 | Low | 51 | Low | 98 Ų | 98 | 136.8 Ų | 136.8 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | trans | -99.1 | 70.5 | -174.7 | -160.7 | 0 | 0 | 0 | 0 | 112.5 | A89 | A89-S92 PolarHBondContact O-N 3.05Š|
| 93 | R | 60.3 | Low | 50 | Low | 232 Ų | 232 | 136.4 Ų | 136.4 | 88% | 0.875 | 73% | 0.727 | S | S | * | * | | | trans | -136.6 | 56.4 | 170.5 | -73 | -162.6 | -179.4 | -160.4 | 2.2 | 113.4 | M91 | M91-R93 PolarHBondContact O-N 2.9Š|
| 94 | L | 57.2 | Low | 49.2 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -134.3 | 118 | 154.4 | -71.3 | 177.7 | 0 | 0 | 0 | 109 | | |
| 95 | F | 53.6 | Low | 48 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | | | trans | 64.2 | 88 | 172.1 | -46.7 | -73.7 | 0 | 0 | 0 | 118.6 | | |
| 96 | A | 41 | Very low | 46.8 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | | | trans | -149.9 | 98.1 | 147.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 97 | A | 40.3 | Very low | 45.9 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | | | trans | -83.3 | 120.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 98 | Q | 43.4 | Very low | 45.3 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 46.1 | 92.2 | 149.3 | -61.8 | -69.7 | -6.1 | 0 | 0 | 117.5 | | |
| 99 | L | 43.1 | Very low | 44.2 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | -123.9 | 123.1 | 150.6 | -69.5 | 176.7 | 0 | 0 | 0 | 109.1 | | |
| 100 | K | 41 | Very low | 43 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | trans | -85.5 | 143.3 | 175.9 | -70.3 | 178.5 | 174.9 | 178.8 | 0 | 110 | | |
| 101 | P | 41.4 | Very low | 41.9 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -89.8 | 119.5 | 171.5 | 33.1 | -29.5 | 0 | 0 | 0 | 111.3 | | |
| 102 | T | 33.7 | Very low | 41.1 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | trans | -149 | 93 | 162.2 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 103 | D | 37 | Very low | 40.1 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | | 47.4 | 131.7 | 129.8 | -71.1 | -16.4 | 0 | 0 | 0 | 123.5 | | |
| 104 | Y | 34.4 | Very low | 39.1 | Very low | 220 Ų | 220 | 149.4 Ų | 149.4 | 86% | 0.863 | 78% | 0.783 | S | S | * | * | | | trans | 77.9 | 131.2 | 159.3 | -84.1 | -87.3 | 0 | 0 | 0 | 122.5 | | |
| 105 | R | 33.9 | Very low | 38.2 | Very low | 222 Ų | 222 | 153.5 Ų | 153.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | 83.3 | 113.4 | 145.7 | -113.7 | -178.2 | 177.7 | -104.1 | 3.7 | 121.4 | | |
| 106 | S | 31.2 | Very low | 38 | Very low | 100 Ų | 100 | 149.7 Ų | 149.7 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | 65.8 | 111 | 137.9 | -61.5 | 0 | 0 | 0 | 0 | 122 | | |
| 107 | S | 35.8 | Very low | 37.9 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -59.5 | 150.1 | 144 | -162.2 | 0 | 0 | 0 | 0 | 110 | | |
| 108 | P | 45.6 | Very low | 37.8 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | | -150.7 | 148.7 | 59 | 32.9 | -8.5 | 0 | 0 | 0 | 120.8 | | |
| 109 | V | 34.7 | Very low | 37.5 | Very low | 128 Ų | 128 | 150.2 Ų | 150.2 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 54.8 | 150.7 | 136.3 | -159.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 110 | V | 33.7 | Very low | 37.6 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | 100.3 | 89.2 | 157.6 | -164.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 111 | K | 36.9 | Very low | 37.3 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | | 70.3 | 158.9 | 121.9 | -146.4 | -174.6 | 166.3 | -172 | 0 | 121.2 | | |
| 112 | D | 32.3 | Very low | 37.1 | Very low | 118 Ų | 118 | 151 Ų | 151 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | | | trans | 71.7 | 154.6 | 161.9 | -65.5 | -45.8 | 0 | 0 | 0 | 117.7 | | |
| 113 | H | 31.1 | Very low | 37.3 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | | | cis | -164.6 | 111.8 | -31 | -170.7 | 100.7 | 0 | 0 | 0 | 109.6 | | |
| 114 | R | 40 | Very low | 38 | Very low | 222 Ų | 222 | 149.1 Ų | 149.1 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | trans | 61.8 | 162.1 | 163.5 | -63.1 | -74.9 | -169.9 | -169.6 | 0.7 | 119.8 | | |
| 115 | R | 37.8 | Very low | 37.9 | Very low | 231 Ų | 231 | 144.5 Ų | 144.5 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | trans | 93.6 | 109 | 140 | -135.5 | 174.2 | -158.5 | -149.4 | 2.7 | 118.1 | | |
| 116 | S | 49.1 | Very low | 38 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | | | trans | -80.6 | 136.1 | 155.6 | -42.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 117 | P | 40.3 | Very low | 38.3 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | -131.5 | 169.3 | 151.9 | 11.6 | 12.4 | 0 | 0 | 0 | 110.7 | | |
| 118 | S | 37 | Very low | 38.2 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | cis | -176 | 143.2 | -24.8 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 119 | E | 38 | Very low | 37.8 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | 46 | 125.3 | 145.2 | -59.1 | 178 | 150.8 | 0 | 0 | 123.2 | | |
| 120 | R | 44.7 | Very low | 37.8 | Very low | 239 Ų | 239 | 145.6 Ų | 145.6 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | | -141.4 | 115 | 124.4 | -71.5 | -168.8 | -172.7 | 149 | 4.4 | 107.6 | | |
| 121 | I | 35.4 | Very low | 37.8 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | | | | 80.2 | 93.3 | 71.6 | -69.4 | 169.3 | 0 | 0 | 0 | 111.2 | | |
| 122 | V | 37.2 | Very low | 37.7 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | | | | 86 | 129.3 | 103.6 | 168.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 123 | V | 37.9 | Very low | 37.8 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | | -150.6 | 149.5 | 75.4 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 124 | P | 50.5 | Low | 38 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | | | trans | -106 | -171.7 | -178.4 | 41.8 | -34.5 | 0 | 0 | 0 | 114 | | |
| 125 | V | 32.7 | Very low | 37.8 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | | | trans | 171.4 | 111.1 | 138.8 | 151.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 126 | H | 36.2 | Very low | 37.4 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | 55.4 | 156.7 | 139.2 | -73 | -74 | 0 | 0 | 0 | 123.5 | | |
| 127 | L | 37.3 | Very low | 36.9 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | | | cis | -159.5 | 147.9 | 7.7 | -139.2 | 142.5 | 0 | 0 | 0 | 113 | | |
| 128 | G | 33.6 | Very low | 36.6 | Very low | 62 Ų | 62 | 136.8 Ų | 136.8 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | | | trans | 76.5 | 129.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 129 | V | 36.8 | Very low | 36.7 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | | | cis | 85.9 | 140.4 | 20 | -170.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 130 | Q | 36.3 | Very low | 36.7 | Very low | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | 96.8 | 117.4 | -176.4 | -54.1 | -64.7 | 3.5 | 0 | 0 | 113.5 | | |
| 131 | A | 33.5 | Very low | 36.2 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | | | cis | 101.7 | 104.5 | 20.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 132 | N | 34.5 | Very low | 36.2 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | | | trans | 72.3 | 149.6 | 150.5 | -60.7 | -4.4 | 0 | 0 | 0 | 124.7 | | |
| 133 | H | 33.9 | Very low | 36.1 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | | | trans | 106.1 | 100.2 | 142.6 | -60.5 | -58 | 0 | 0 | 0 | 121.9 | | |
| 134 | L | 36 | Very low | 36.3 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | | | | 60.2 | 153.1 | 123.9 | -84.9 | 70.2 | 0 | 0 | 0 | 123.9 | | |
| 135 | Y | 34.3 | Very low | 35.8 | Very low | 226 Ų | 226 | 137.7 Ų | 137.7 | 89% | 0.886 | 75% | 0.745 | S | S | * | * | | | trans | 70 | 151.8 | 172.5 | -55 | -78 | 0 | 0 | 0 | 116.2 | | |
| 136 | G | 29.8 | Very low | 35.9 | Very low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | cis | 161.2 | 131.7 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 137 | H | 38.6 | Very low | 36 | Very low | 206 Ų | 206 | 136.6 Ų | 136.6 | 95% | 0.954 | 75% | 0.748 | S | S | * | * | | | trans | 31.3 | 138.3 | 163.9 | -77.8 | 3.1 | 0 | 0 | 0 | 123.2 | | |
| 138 | G | 34.5 | Very low | 36.1 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | | | | 121.3 | 104.6 | 116.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 139 | H | 39.1 | Very low | 36.1 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | trans | 46.1 | 123.2 | 136.5 | -62.4 | -78.9 | 0 | 0 | 0 | 124.6 | | |
| 140 | H | 37.7 | Very low | 36.1 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | | | | 75.4 | 137.2 | 128.9 | -78.5 | -50.5 | 0 | 0 | 0 | 125 | | |
| 141 | H | 34.5 | Very low | 36.4 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | | | trans | 84.7 | 98.8 | 140.7 | -97.3 | -101.1 | 0 | 0 | 0 | 122.6 | | |
| 142 | H | 35.8 | Very low | 36.6 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | | 62.3 | 115.8 | 120.8 | -82 | -96.4 | 0 | 0 | 0 | 122.2 | | |
| 143 | H | 34.8 | Very low | 37.5 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | | 83.1 | 112.5 | 118.3 | -164.8 | -112.2 | 0 | 0 | 0 | 119.8 | | |
| 144 | L | 41.6 | Very low | 37.9 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | | -175.9 | 140.7 | 112.4 | -97.1 | 169.1 | 0 | 0 | 0 | 113.6 | | |
| 145 | A | 39.3 | Very low | 38.9 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | 52.7 | 113.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 146 | S | 36.5 | Very low | 39.1 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | | 84.8 | 129.8 | 81.9 | -156.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 147 | L | 38.6 | Very low | 40 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | cis | -144 | 163 | 45.7 | -95.8 | 86.8 | 0 | 0 | 0 | 115.3 | | |
| 148 | A | 38.5 | Very low | 40.1 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | 69.5 | 111.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 149 | G | 34.4 | Very low | 40.7 | Very low | 82 Ų | 82 | 138.5 Ų | 138.5 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | 161.8 | 30.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 150 | M | 35.5 | Very low | 40.5 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | | | trans | -112.8 | 137.7 | 179.7 | -69.7 | -164.7 | 73.6 | 0 | 0 | 112.9 | | |
| 151 | D | 42.3 | Very low | 40.4 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 57.2 | 115.3 | 145.6 | -156 | -98.3 | 0 | 0 | 0 | 120.5 | P153 | D151-P153 WeakPolarHBondContact OD1-CD 3.45Š|
| 152 | Q | 39.4 | Very low | 40.5 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | | -158.6 | 124.5 | 129.4 | -130.8 | -175.6 | 36.7 | 0 | 0 | 112.7 | L154 | Q152-L154 HydrophobicContact CB-CD1 4.5Å; Q152-L154 HydrophobicContact CG-CD1 4.15Å |
| 153 | P | 52.4 | Low | 40.2 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | trans | -94.9 | 117.3 | 168.2 | 33.2 | -29.1 | 0 | 0 | 0 | 111.2 | D151 | D151-P153 WeakPolarHBondContact OD1-CD 3.45Š|
| 154 | L | 42.9 | Very low | 40.2 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | | | trans | -106 | 102.2 | 175.3 | -107.1 | 69.1 | 0 | 0 | 0 | 112.2 | Q152 | Q152-L154 HydrophobicContact CB-CD1 4.5Å; Q152-L154 HydrophobicContact CG-CD1 4.15Å |
| 155 | A | 55.9 | Low | 40.7 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | | | trans | -107.6 | 95.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 156 | L | 39.7 | Very low | 40.8 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | | | trans | -145.1 | 97.3 | 173.1 | -74.4 | -179.8 | 0 | 0 | 0 | 112.5 | | |
| 157 | T | 48.5 | Very low | 40.6 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -146.6 | 104.6 | 142.4 | 170.5 | 0 | 0 | 0 | 0 | 109 | N159 | T157-N159 PolarHBondContact OG1-OD1 2.97Š|
| 158 | K | 39.7 | Very low | 40.6 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | | | trans | -102 | 105.8 | -175.8 | 170.1 | -169.3 | 177.3 | -177.9 | 0 | 108 | | |
| 159 | N | 47.2 | Very low | 40.5 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | -115 | 88.9 | 168.4 | -67.8 | 74.1 | 0 | 0 | 0 | 108.7 | T157 | T157-N159 PolarHBondContact OG1-OD1 2.97Š|
| 160 | S | 35.8 | Very low | 40.6 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | | | trans | -75.6 | 128.7 | 173.5 | 155.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 161 | M | 34.6 | Very low | 40.5 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | | | | -177.7 | 137.1 | 121.3 | 49.6 | -162 | -76.6 | 0 | 0 | 113 | | |
| 162 | V | 36.3 | Very low | 40.3 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | | | trans | -74.1 | 132.5 | 164.4 | 160.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 163 | A | 31.4 | Very low | 40.2 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | 179.7 | 136.7 | 137.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 164 | T | 33.9 | Very low | 39.5 | Very low | 133 Ų | 133 | 131 Ų | 131 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | -71.5 | -179.5 | 159.9 | -3.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 165 | P | 51.5 | Low | 39.7 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | | -120.5 | -176.1 | -55 | 29.4 | -9.8 | 0 | 0 | 0 | 113.2 | | |
| 166 | R | 41.9 | Very low | 38.8 | Very low | 236 Ų | 236 | 131.1 Ų | 131.1 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | | | trans | 92.3 | 139.9 | 159.1 | -54.7 | 175 | 74.9 | 116.1 | -3.4 | 119.7 | | |
| 167 | S | 32.7 | Very low | 38.6 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | 89.3 | 111.9 | 148.4 | -116.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 168 | S | 38.9 | Very low | 38.3 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | | 67.8 | 126.9 | 127.2 | -52.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 169 | T | 36.5 | Very low | 38.3 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | 64.5 | 140.3 | 149.4 | 53.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 170 | A | 34.6 | Very low | 37.9 | Very low | 84 Ų | 84 | 128.3 Ų | 128.3 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | | | cis | -156.2 | 162.9 | -2.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 171 | T | 35.3 | Very low | 38.4 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | trans | -1.3 | 144.2 | 142.3 | 63.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 172 | M | 37.3 | Very low | 39.3 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | | | cis | -152.7 | 162 | 14.7 | -82.7 | -46.6 | -179.9 | 0 | 0 | 112.4 | | |
| 173 | A | 37.9 | Very low | 40.2 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | 56.5 | 101 | 142.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 174 | S | 36.2 | Very low | 40.8 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | | -140.2 | 126.4 | 128.4 | 63.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 175 | V | 47 | Very low | 41.9 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -101 | 90.6 | 177.8 | 176.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 176 | A | 38.3 | Very low | 41.7 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | | | trans | -166 | 77.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 177 | H | 35.5 | Very low | 42 | Very low | 173 Ų | 173 | 137 Ų | 137 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | | | trans | -117.4 | 109.9 | 162.3 | -88.8 | -63.7 | 0 | 0 | 0 | 110.7 | V179 | H177-V179 PolarHBondContact O-N 3.37Å; H177-V179 VanDerWaalsContact O-N 3.14Å |
| 178 | T | 40.9 | Very low | 43.6 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -52.1 | 110.3 | 158.3 | 37.5 | 0 | 0 | 0 | 0 | 108.7 | S180 | T178-S180 PolarHBondContact O-N 3.33Å; T178-S180 VanDerWaalsContact O-N 3.17Å |
| 179 | V | 40.5 | Very low | 44.6 | Very low | 140 Ų | 140 | 143.9 Ų | 143.9 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -69.2 | 116.3 | -177.6 | -76.9 | 0 | 0 | 0 | 0 | 110.5 | H177 A181 | H177-V179 PolarHBondContact O-N 3.37Å; H177-V179 VanDerWaalsContact O-N 3.14Å; V179-A181 PolarHBondContact O-N 3.48Å |
| 180 | S | 38.7 | Very low | 45.4 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | -55.6 | 127.7 | 173.4 | -166 | 0 | 0 | 0 | 0 | 110.4 | T178 V182 | T178-S180 PolarHBondContact O-N 3.33Å; T178-S180 VanDerWaalsContact O-N 3.17Å; S180-V182 VanDerWaalsContact C-N 3.34Å; S180-V182 PolarHBondContact O-N 3.31Å |
| 181 | A | 47.4 | Very low | 46.5 | Very low | 105 Ų | 105 | 144 Ų | 144 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | | | trans | -84.9 | 72.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V179 | V179-A181 PolarHBondContact O-N 3.48Š|
| 182 | V | 52.8 | Low | 47.6 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | | | trans | -147.7 | 144.7 | 161.4 | 88.1 | 0 | 0 | 0 | 0 | 112 | S180 | S180-V182 VanDerWaalsContact C-N 3.34Å; S180-V182 PolarHBondContact O-N 3.31Å |
| 183 | E | 54 | Low | 48.8 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 66 | 72 | 157.3 | -156.3 | 164.1 | -160.4 | 0 | 0 | 118.7 | | |
| 184 | R | 45.8 | Very low | 49.5 | Very low | 232 Ų | 232 | 144.2 Ų | 144.2 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | | | trans | -134.3 | 126.7 | 138 | -79.4 | -166.8 | 157 | 59.1 | 1.7 | 111.3 | Q186 | R184-Q186 PolarHBondContact O-N 3.13Š|
| 185 | Q | 56 | Low | 50.6 | Low | 200 Ų | 200 | 143.3 Ų | 143.3 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | | | trans | -59.8 | 123 | 179.8 | -66.5 | 167.1 | -35.5 | 0 | 0 | 110.7 | | |
| 186 | Q | 48.4 | Very low | 50.8 | Low | 171 Ų | 171 | 140.8 Ų | 140.8 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | | | trans | -99.2 | 106.5 | 179.1 | -68.9 | -168.5 | 4.2 | 0 | 0 | 111.5 | R184 R188 | R184-Q186 PolarHBondContact O-N 3.13Å; Q186-R188 VanDerWaalsContact C-N 3.27Å; Q186-R188 PolarHBondContact O-N 2.84Å |
| 187 | N | 47.8 | Very low | 51.7 | Low | 164 Ų | 164 | 142 Ų | 142 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -81.2 | 71 | 169.3 | -162.2 | 103.8 | 0 | 0 | 0 | 110.3 | | |
| 188 | R | 65.6 | Low | 52.5 | Low | 200 Ų | 200 | 140.4 Ų | 140.4 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -127.6 | 126.2 | 173.7 | -74.8 | -166.6 | 178 | -109.9 | 0.3 | 111.7 | Q186 S190 | Q186-R188 VanDerWaalsContact C-N 3.27Å; Q186-R188 PolarHBondContact O-N 2.84Å; R188-S190 PolarHBondContact O-N 3.01Å; R188-S190 VanDerWaalsContact O-N 3.08Å |
| 189 | P | 60.4 | Low | 53.4 | Low | 138 Ų | 138 | 140.3 Ų | 140.3 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | | | trans | -79 | 90.1 | 172.6 | 32.1 | -32.4 | 0 | 0 | 0 | 110 | | |
| 190 | S | 52.3 | Low | 54.3 | Low | 89 Ų | 89 | 144.2 Ų | 144.2 | 62% | 0.622 | 80% | 0.804 | S | S | * | * | | | trans | -142.3 | 103.4 | 169.7 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | R188 I192 | R188-S190 PolarHBondContact O-N 3.01Å; R188-S190 VanDerWaalsContact O-N 3.08Å; S190-I192 PolarHBondContact O-N 3.02Å |
| 191 | V | 57.5 | Low | 55 | Low | 141 Ų | 141 | 145.2 Ų | 145.2 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | -78.9 | 100.7 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 192 | I | 58.6 | Low | 54.9 | Low | 142 Ų | 142 | 146.4 Ų | 146.4 | 73% | 0.728 | 80% | 0.802 | S | S | * | * | | | trans | -134.8 | 92 | 160.3 | -55.2 | -179.8 | 0 | 0 | 0 | 107.4 | S190 C194 | S190-I192 PolarHBondContact O-N 3.02Å; I192-C194 PolarHBondContact O-N 3.15Å |
| 193 | T | 63.2 | Low | 55 | Low | 130 Ų | 130 | 147.6 Ų | 147.6 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | | | trans | -89 | 99.3 | 171.7 | -56.3 | 0 | 0 | 0 | 0 | 108.7 | A195 | T193-A195 PolarHBondContact O-N 2.94Š|
| 194 | C | 51.7 | Low | 54.9 | Low | 112 Ų | 112 | 146 Ų | 146 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | | | trans | -70.7 | 109.7 | 168.9 | -64.5 | 0 | 0 | 0 | 0 | 109.5 | I192 | I192-C194 PolarHBondContact O-N 3.15Š|
| 195 | A | 60.7 | Low | 55.4 | Low | 95 Ų | 95 | 139.8 Ų | 139.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -71.3 | 137.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | T193 A197 | T193-A195 PolarHBondContact O-N 2.94Å; A195-A197 PolarHBondContact O-N 2.79Å |
| 196 | A | 49.9 | Very low | 55.4 | Low | 99 Ų | 99 | 138.7 Ų | 138.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -69.8 | 122.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N198 | A196-N198 PolarHBondContact O-N 2.99Å; A196-N198 VanDerWaalsContact O-N 3.11Å |
| 197 | A | 58.8 | Low | 55.1 | Low | 111 Ų | 111 | 135.2 Ų | 135.2 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | | | trans | -76.6 | 91 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A195 | A195-A197 PolarHBondContact O-N 2.79Š|
| 198 | N | 51.6 | Low | 55.4 | Low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | -143.7 | 129.6 | 164.7 | -163.2 | 5.1 | 0 | 0 | 0 | 112.5 | A196 R200 | A196-N198 PolarHBondContact O-N 2.99Å; A196-N198 VanDerWaalsContact O-N 3.11Å; N198-R200 PolarHBondContact O-N 2.88Å |
| 199 | N | 59.1 | Low | 54.8 | Low | 137 Ų | 137 | 129.7 Ų | 129.7 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -78.2 | 109.6 | 175.2 | 173.9 | -35.7 | 0 | 0 | 0 | 109.4 | | |
| 200 | R | 60.3 | Low | 54.2 | Low | 221 Ų | 221 | 128.5 Ų | 128.5 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | -176.6 | 110.4 | 146.8 | -94.9 | 140.5 | -154.5 | -121.6 | 5.1 | 113.2 | N198 | N198-R200 PolarHBondContact O-N 2.88Š|
| 201 | N | 53.3 | Low | 53.8 | Low | 131 Ų | 131 | 133.4 Ų | 133.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | 37.2 | 87.2 | 146 | -157.7 | 98.8 | 0 | 0 | 0 | 119.5 | N203 | N201-N203 PolarHBondContact O-N 3.37Š|
| 202 | C | 45 | Very low | 53.8 | Low | 130 Ų | 130 | 134 Ų | 134 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | trans | -76.1 | 114.7 | 161.5 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | L204 | C202-L204 PolarHBondContact O-N 3.48Š|
| 203 | N | 56 | Low | 53.1 | Low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | | | trans | -100 | 53.2 | -178.7 | -143.2 | -34.3 | 0 | 0 | 0 | 111.4 | N201 | N201-N203 PolarHBondContact O-N 3.37Š|
| 204 | L | 50.5 | Low | 51.9 | Low | 140 Ų | 140 | 129.4 Ų | 129.4 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -117.1 | 91.2 | 179.2 | -169.2 | 66.7 | 0 | 0 | 0 | 109.7 | C202 Q206 | C202-L204 PolarHBondContact O-N 3.48Å; L204-Q206 PolarHBondContact O-N 3.31Å |
| 205 | S | 56.8 | Low | 51.7 | Low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | -76.2 | 59.5 | -175.2 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 206 | Q | 55.1 | Low | 50.9 | Low | 177 Ų | 177 | 131.1 Ų | 131.1 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | -168.7 | 74.1 | 156 | -124.1 | 91.6 | 59.2 | 0 | 0 | 111.9 | L204 | L204-Q206 PolarHBondContact O-N 3.31Š|
| 207 | C | 42.6 | Very low | 50.7 | Low | 99 Ų | 99 | 136 Ų | 136 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | | | trans | -116.3 | 104.8 | 164.6 | -71.5 | 0 | 0 | 0 | 0 | 109 | V209 | C207-V209 PolarHBondContact O-N 2.92Š|
| 208 | P | 54.7 | Low | 50 | Low | 130 Ų | 130 | 136.1 Ų | 136.1 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | | | trans | -82.6 | 43.1 | -179.7 | 35.5 | -36.4 | 0 | 0 | 0 | 112.4 | | |
| 209 | V | 52.9 | Low | 49.9 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -138.1 | 124.3 | 172.4 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | C207 | C207-V209 PolarHBondContact O-N 2.92Š|
| 210 | S | 48.6 | Very low | 49 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | 63.8 | 93.9 | 167.5 | -61.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 211 | H | 43.6 | Very low | 48.4 | Very low | 192 Ų | 192 | 134.4 Ų | 134.4 | 89% | 0.889 | 77% | 0.77 | S | S | * | * | | | | -116.1 | 137.1 | 126.9 | -144.6 | -84.7 | 0 | 0 | 0 | 111.1 | | |
| 212 | N | 56.7 | Low | 47.9 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -69.4 | 141 | -175.2 | -165.6 | 16.8 | 0 | 0 | 0 | 111 | | |
| 213 | G | 44.2 | Very low | 47.8 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | trans | -179.9 | 35.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 214 | C | 37.3 | Very low | 47.4 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | | | trans | -138.5 | 63.6 | 166.8 | -86.3 | 0 | 0 | 0 | 0 | 113 | N216 | C214-N216 PolarHBondContact O-N 2.84Å; C214-N216 VanDerWaalsContact O-N 3.14Å |
| 215 | S | 48.1 | Very low | 47.1 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -72.3 | 92.2 | 153.6 | 52.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 216 | N | 44.6 | Very low | 46.9 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -178.2 | 82.7 | 155.3 | -91.6 | -22.2 | 0 | 0 | 0 | 110.7 | C214 | C214-N216 PolarHBondContact O-N 2.84Å; C214-N216 VanDerWaalsContact O-N 3.14Å |
| 217 | F | 45.8 | Very low | 46.9 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 89% | 0.886 | 76% | 0.757 | S | S | * | * | | | trans | -110.5 | 50.1 | 157.1 | -62.5 | -60.2 | 0 | 0 | 0 | 110 | | |
| 218 | T | 43.8 | Very low | 47.5 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | | | trans | -65.3 | 140.6 | 155.5 | 44.7 | 0 | 0 | 0 | 0 | 108.3 | N220 | T218-N220 PolarHBondContact O-N 3.48Š|
| 219 | N | 50.1 | Low | 47.6 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -36.7 | 124.6 | -177.7 | -72.1 | -66.1 | 0 | 0 | 0 | 114.2 | | |
| 220 | N | 39.4 | Very low | 48.1 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -172.5 | 91.9 | 140.5 | -94.8 | -42.2 | 0 | 0 | 0 | 112.2 | T218 R222 | T218-N220 PolarHBondContact O-N 3.48Å; N220-R222 PolarHBondContact O-N 2.93Å |
| 221 | H | 48.1 | Very low | 49.8 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | | | trans | 18.8 | 57.2 | 146.5 | -51.8 | -77.2 | 0 | 0 | 0 | 120.5 | K223 | H221-K223 PolarHBondContact O-N 3.12Š|
| 222 | R | 43.1 | Very low | 51.7 | Low | 244 Ų | 244 | 133.9 Ų | 133.9 | 92% | 0.921 | 73% | 0.728 | S | S | * | * | | | trans | -79.3 | 80.6 | 155.4 | -167.5 | 167.3 | -175.6 | -116.1 | 0.5 | 109 | N220 I224 | N220-R222 PolarHBondContact O-N 2.93Å; R222-I224 PolarHBondContact O-N 2.87Å |
| 223 | K | 42 | Very low | 53.3 | Low | 186 Ų | 186 | 131.4 Ų | 131.4 | 81% | 0.809 | 72% | 0.718 | S | S | * | * | | | trans | -6.9 | 103.2 | 172.2 | -65 | 176.8 | 178.4 | 179.8 | 0 | 113 | H221 N225 | H221-K223 PolarHBondContact O-N 3.12Å; K223-N225 PolarHBondContact O-N 2.72Å |
| 224 | I | 48 | Very low | 55.5 | Low | 150 Ų | 150 | 132.5 Ų | 132.5 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | | | trans | -60.7 | 108.2 | 164 | -57 | 171.1 | 0 | 0 | 0 | 105 | R222 T226 | R222-I224 PolarHBondContact O-N 2.87Å; I224-T226 HydrophobicContact CB-CG2 4.24Å; I224-T226 HydrophobicContact CG2-CG2 3.6Å; I224-T226 PolarHBondContact O-N 3.19Å |
| 225 | N | 44.6 | Very low | 58 | Low | 125 Ų | 125 | 129.3 Ų | 129.3 | 67% | 0.668 | 68% | 0.682 | S | S | * | * | | | trans | -77.4 | 82.8 | 176.8 | -158.1 | 76.8 | 0 | 0 | 0 | 106.8 | K223 N227 | K223-N225 PolarHBondContact O-N 2.72Å; N225-N227 PolarHBondContact ND2-O 3.47Å; N225-N227 PolarHBondContact O-N 2.93Å |
| 226 | T | 51.3 | Low | 60 | Low | 96 Ų | 96 | 127.6 Ų | 127.6 | 59% | 0.589 | 66% | 0.662 | S | S | * | * | | | trans | -72.2 | 39.1 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | I224 | I224-T226 HydrophobicContact CB-CG2 4.24Å; I224-T226 HydrophobicContact CG2-CG2 3.6Å; I224-T226 PolarHBondContact O-N 3.19Å |
| 227 | N | 55.5 | Low | 62.5 | Low | 107 Ų | 107 | 126.8 Ų | 126.8 | 57% | 0.572 | 65% | 0.654 | S | S | * | * | | | trans | -138.2 | 135.6 | -175.8 | -84.2 | -86.8 | 0 | 0 | 0 | 108.8 | N225 | N225-N227 PolarHBondContact ND2-O 3.47Å; N225-N227 PolarHBondContact O-N 2.93Å |
| 228 | T | 55 | Low | 64.7 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 72% | 0.718 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 71.2 | 98.7 | 173.6 | 72.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 229 | D | 57.3 | Low | 67 | Low | 157 Ų | 157 | 122.5 Ų | 122.5 | 84% | 0.84 | 62% | 0.622 | S | S | * | * | | | trans | 61.5 | 72.1 | 139.4 | -46.7 | -28.2 | 0 | 0 | 0 | 117.8 | | |
| 230 | C | 64.1 | Low | 69.1 | Low | 100 Ų | 100 | 124.7 Ų | 124.7 | 68% | 0.676 | 62% | 0.619 | S | S | * | * | | | trans | -65.4 | 131.1 | 152.6 | -62 | 0 | 0 | 0 | 0 | 109.3 | P232 | C230-P232 WeakPolarHBondContact O-CD 3.49Š|
| 231 | D | 82.9 | Confident | 71.7 | Confident | 78 Ų | 78 | 121.4 Ų | 121.4 | 42% | 0.417 | 61% | 0.607 | S | S | . | * | | | trans | -55.3 | 121.6 | 177.5 | 174.3 | -7.5 | 0 | 0 | 0 | 110.4 | V233 I234 E235 | D231-V233 PolarHBondContact O-N 2.94Å; D231-V233 VanDerWaalsContact O-N 3.08Å; D231-V233 WeakPolarHBondContact OD1-CB 3.25Å; D231-V233 PolarHBondContact OD1-N 3.45Å; D231-I234 HydrophobicContact CB-CB 4.07Å; D231-I234 HydrophobicContact CB-CD1 3.89Å; D231-I234 HydrophobicContact CB-CG1 3.92Å; D231-I234 PolarHBondContact O-N 3.38Å; D231-E235 WeakPolarHBondContact O-CB 3.24Å; D231-E235 PolarHBondContact O-N 3.35Å |
| 232 | P | 84.9 | Confident | 73.7 | Confident | 101 Ų | 101 | 117 Ų | 117 | 66% | 0.656 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -53.6 | -30.1 | -179.7 | -27.9 | 35.4 | 0 | 0 | 0 | 114.6 | C230 E236 | C230-P232 WeakPolarHBondContact O-CD 3.49Å; P232-E236 WeakPolarHBondContact O-CB 3.4Å; P232-E236 PolarHBondContact O-N 3.4Å |
| 233 | V | 89.6 | Confident | 75.8 | Confident | 103 Ų | 103 | 107.4 Ų | 107.4 | 62% | 0.624 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74 | -40.4 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | D231 H237 | D231-V233 PolarHBondContact O-N 2.94Å; D231-V233 VanDerWaalsContact O-N 3.08Å; D231-V233 WeakPolarHBondContact OD1-CB 3.25Å; D231-V233 PolarHBondContact OD1-N 3.45Å; V233-H237 WeakPolarHBondContact O-CB 3.47Å; V233-H237 PolarHBondContact O-N 3.09Å |
| 234 | I | 89.3 | Confident | 78 | Confident | 88 Ų | 88 | 108.3 Ų | 108.3 | 45% | 0.451 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.7 | -41.1 | 176.1 | -62.8 | -180 | 0 | 0 | 0 | 110 | D231 H237 F238 | D231-I234 HydrophobicContact CB-CB 4.07Å; D231-I234 HydrophobicContact CB-CD1 3.89Å; D231-I234 HydrophobicContact CB-CG1 3.92Å; D231-I234 PolarHBondContact O-N 3.38Å; I234-H237 WeakPolarHBondContact O-CB 3.22Å; I234-H237 PolarHBondContact O-N 2.79Å; I234-F238 HydrophobicContact CG2-CD2 3.75Å; I234-F238 HydrophobicContact CG2-CE2 3.46Å; I234-F238 VanDerWaalsContact CG2-CE2 3.46Å; I234-F238 WeakPolarHBondContact O-CD2 3.38Å; I234-F238 PolarHBondContact O-N 3.05Å |
| 235 | E | 90.5 | Very high | 79.9 | Confident | 41 Ų | 41 | 107.3 Ų | 107.3 | 19% | 0.192 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -60.1 | -45.6 | 174.1 | -172.7 | 64.5 | -164.6 | 0 | 0 | 111.5 | D231 H237 F238 R239 Y246 | D231-E235 WeakPolarHBondContact O-CB 3.24Å; D231-E235 PolarHBondContact O-N 3.35Å; E235-H237 PolarHBondContact O-N 2.84Å; E235-F238 PolarHBondContact O-N 3.28Å; E235-R239 VanDerWaalsContact O-CB 3.3Å; E235-R239 WeakPolarHBondContact O-CB 3.28Å; E235-R239 PolarHBondContact O-N 3Å; E235-Y246 VanDerWaalsContact OE1-CE1 3.25Å; E235-Y246 WeakPolarHBondContact OE1-CE1 3.17Å; E235-Y246 VanDerWaalsContact OE1-CZ 3.26Å; E235-Y246 PolarHBondContact OE1-OH 2.87Å; E235-Y246 PolarHBondContact OE2-OH 3.08Å |
| 236 | E | 91.3 | Very high | 82 | Confident | 76 Ų | 76 | 103.6 Ų | 103.6 | 36% | 0.355 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 173.9 | -164 | -158.7 | 139 | 0 | 0 | 111.9 | P232 R239 R240 | P232-E236 WeakPolarHBondContact O-CB 3.4Å; P232-E236 PolarHBondContact O-N 3.4Å; E236-R239 PolarHBondContact O-N 3.39Å; E236-R240 HydrophobicContact CG-CG 4.36Å; E236-R240 WeakPolarHBondContact O-CB 3.42Å; E236-R240 VanDerWaalsContact O-CG 3.31Å; E236-R240 WeakPolarHBondContact O-CG 3.43Å; E236-R240 PolarHBondContact O-N 3.41Å; E236-R240 WeakPolarHBondContact OE1-CD 3.32Å; E236-R240 IonicContact OE1-CZ 2.68Å; E236-R240 IonicContact OE1-NE 3.6Å; E236-R240 IonicContact OE1-NH1 3.23Å; E236-R240 PolarHBondContact OE1-NH1 2.76Å |
| 237 | H | 95.4 | Very high | 83.5 | Confident | 115 Ų | 115 | 108.1 Ų | 108.1 | 53% | 0.532 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.8 | -50.2 | 175.4 | 174 | -85.1 | 0 | 0 | 0 | 111.2 | V233 I234 E235 R239 R240 S241 | V233-H237 WeakPolarHBondContact O-CB 3.47Å; V233-H237 PolarHBondContact O-N 3.09Å; I234-H237 WeakPolarHBondContact O-CB 3.22Å; I234-H237 PolarHBondContact O-N 2.79Å; E235-H237 PolarHBondContact O-N 2.84Å; H237-R239 PolarHBondContact O-N 3.31Å; H237-R240 PolarHBondContact O-N 3.11Å; H237-S241 WeakPolarHBondContact O-CB 3.35Å; H237-S241 PolarHBondContact O-N 2.84Å; H237-S241 PolarHBondContact O-OG 3.27Å |
| 238 | F | 92.8 | Very high | 84.5 | Confident | 95 Ų | 95 | 109.3 Ų | 109.3 | 42% | 0.417 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.1 | -44.2 | 177.8 | -78 | -63.9 | 0 | 0 | 0 | 112.9 | I234 E235 R240 S241 L242 Y246 | I234-F238 HydrophobicContact CG2-CD2 3.75Å; I234-F238 HydrophobicContact CG2-CE2 3.46Å; I234-F238 VanDerWaalsContact CG2-CE2 3.46Å; I234-F238 WeakPolarHBondContact O-CD2 3.38Å; I234-F238 PolarHBondContact O-N 3.05Å; E235-F238 PolarHBondContact O-N 3.28Å; F238-R240 VanDerWaalsContact C-N 3.33Å; F238-R240 PolarHBondContact O-N 3.17Å; F238-S241 PolarHBondContact O-N 3.32Å; F238-L242 HydrophobicContact CD1-CD1 4.15Å; F238-L242 WeakPolarHBondContact O-CB 3.4Å; F238-L242 PolarHBondContact O-N 3.41Å; F238-Y246 HydrophobicContact CB-CD2 4.12Å; F238-Y246 HydrophobicContact CB-CE2 3.78Å |
| 239 | R | 92.2 | Very high | 85.1 | Confident | 130 Ų | 130 | 107.5 Ų | 107.5 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 176.6 | -177.7 | 169.6 | 51.9 | 140.2 | 0.1 | 112.3 | E235 E236 H237 G243 Y246 | E235-R239 VanDerWaalsContact O-CB 3.3Å; E235-R239 WeakPolarHBondContact O-CB 3.28Å; E235-R239 PolarHBondContact O-N 3Å; E236-R239 PolarHBondContact O-N 3.39Å; H237-R239 PolarHBondContact O-N 3.31Å; R239-G243 WeakPolarHBondContact O-CA 3.32Å; R239-G243 PolarHBondContact O-N 3.42Å; R239-Y246 HydrophobicContact CB-CD1 4.15Å; R239-Y246 HydrophobicContact CB-CE1 4.46Å; R239-Y246 HydrophobicContact CG-CD1 4.44Å |
| 240 | R | 93.1 | Very high | 85 | Confident | 191 Ų | 191 | 107.7 Ų | 107.7 | 72% | 0.721 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.1 | -36.7 | 175.8 | -73 | 170.5 | 65.4 | 170.1 | -0.1 | 113.1 | E236 H237 F238 | E236-R240 HydrophobicContact CG-CG 4.36Å; E236-R240 WeakPolarHBondContact O-CB 3.42Å; E236-R240 VanDerWaalsContact O-CG 3.31Å; E236-R240 WeakPolarHBondContact O-CG 3.43Å; E236-R240 PolarHBondContact O-N 3.41Å; E236-R240 WeakPolarHBondContact OE1-CD 3.32Å; E236-R240 IonicContact OE1-CZ 2.68Å; E236-R240 IonicContact OE1-NE 3.6Å; E236-R240 IonicContact OE1-NH1 3.23Å; E236-R240 PolarHBondContact OE1-NH1 2.76Å; H237-R240 PolarHBondContact O-N 3.11Å; F238-R240 VanDerWaalsContact C-N 3.33Å; F238-R240 PolarHBondContact O-N 3.17Å |
| 241 | S | 94.6 | Very high | 84.6 | Confident | 77 Ų | 77 | 107.8 Ų | 107.8 | 54% | 0.538 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -76.3 | -37.5 | -179.6 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | H237 F238 | H237-S241 WeakPolarHBondContact O-CB 3.35Å; H237-S241 PolarHBondContact O-N 2.84Å; H237-S241 PolarHBondContact O-OG 3.27Å; F238-S241 PolarHBondContact O-N 3.32Å |
| 242 | L | 90.9 | Very high | 83.2 | Confident | 81 Ų | 81 | 108.6 Ų | 108.6 | 42% | 0.424 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -100.3 | -22 | -173.7 | -62.5 | 172.4 | 0 | 0 | 0 | 112.8 | F238 K244 N245 Y246 | F238-L242 HydrophobicContact CD1-CD1 4.15Å; F238-L242 WeakPolarHBondContact O-CB 3.4Å; F238-L242 PolarHBondContact O-N 3.41Å; L242-K244 PolarHBondContact O-N 2.68Å; L242-N245 WeakPolarHBondContact O-CB 3.31Å; L242-N245 PolarHBondContact O-N 3.27Å; L242-Y246 HydrophobicContact CB-CD2 4.4Å; L242-Y246 HydrophobicContact CD1-CD2 3.96Å |
| 243 | G | 87.5 | Confident | 81.5 | Confident | 42 Ų | 42 | 107.4 Ų | 107.4 | 43% | 0.433 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | 53.5 | -126.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R239 N245 Y246 | R239-G243 WeakPolarHBondContact O-CA 3.32Å; R239-G243 PolarHBondContact O-N 3.42Å; G243-N245 PolarHBondContact O-N 3.02Å; G243-N245 VanDerWaalsContact O-N 3.12Å; G243-Y246 WeakPolarHBondContact O-CB 3.46Å; G243-Y246 PolarHBondContact O-N 2.95Å |
| 244 | K | 86.4 | Confident | 79.6 | Confident | 204 Ų | 204 | 108 Ų | 108 | 89% | 0.887 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -64.1 | -12.5 | 177.2 | 70.1 | 177.5 | -178 | 179 | 0 | 115.6 | L242 Y246 | L242-K244 PolarHBondContact O-N 2.68Å; K244-Y246 VanDerWaalsContact C-N 3.33Å |
| 245 | N | 89.3 | Confident | 77.7 | Confident | 129 Ų | 129 | 110.8 Ų | 110.8 | 69% | 0.69 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -90.4 | -4.5 | 173.2 | -51.8 | -50 | 0 | 0 | 0 | 111.5 | L242 G243 K247 | L242-N245 WeakPolarHBondContact O-CB 3.31Å; L242-N245 PolarHBondContact O-N 3.27Å; G243-N245 PolarHBondContact O-N 3.02Å; G243-N245 VanDerWaalsContact O-N 3.12Å; N245-K247 PolarHBondContact O-N 2.81Å |
| 246 | Y | 88.6 | Confident | 75.9 | Confident | 47 Ų | 47 | 112.5 Ų | 112.5 | 18% | 0.184 | 59% | 0.585 | C | S | . | * | | | trans | -69.6 | 122.5 | 170.8 | -169.1 | -121.5 | 0 | 0 | 0 | 109.2 | E235 F238 R239 L242 G243 K244 E248 | E235-Y246 VanDerWaalsContact OE1-CE1 3.25Å; E235-Y246 WeakPolarHBondContact OE1-CE1 3.17Å; E235-Y246 VanDerWaalsContact OE1-CZ 3.26Å; E235-Y246 PolarHBondContact OE1-OH 2.87Å; E235-Y246 PolarHBondContact OE2-OH 3.08Å; F238-Y246 HydrophobicContact CB-CD2 4.12Å; F238-Y246 HydrophobicContact CB-CE2 3.78Å; R239-Y246 HydrophobicContact CB-CD1 4.15Å; R239-Y246 HydrophobicContact CB-CE1 4.46Å; R239-Y246 HydrophobicContact CG-CD1 4.44Å; L242-Y246 HydrophobicContact CB-CD2 4.4Å; L242-Y246 HydrophobicContact CD1-CD2 3.96Å; G243-Y246 WeakPolarHBondContact O-CB 3.46Å; G243-Y246 PolarHBondContact O-N 2.95Å; K244-Y246 VanDerWaalsContact C-N 3.33Å; Y246-E248 VanDerWaalsContact C-N 3.32Å; Y246-E248 HydrophobicContact CD1-CB 4.21Å; Y246-E248 HydrophobicContact CE1-CB 4.3Å; Y246-E248 PolarHBondContact O-N 2.93Å; Y246-E248 VanDerWaalsContact O-N 3.16Å |
| 247 | K | 82.9 | Confident | 74.3 | Confident | 191 Ų | 191 | 114.5 Ų | 114.5 | 83% | 0.83 | 60% | 0.602 | S | S | * | * | | | trans | -84.7 | 86.1 | 168.8 | -170.8 | -178.7 | -178.7 | -173.5 | 0 | 107.2 | N245 | N245-K247 PolarHBondContact O-N 2.81Š|
| 248 | E | 75.4 | Confident | 72.4 | Confident | 133 Ų | 133 | 113.3 Ų | 113.3 | 62% | 0.621 | 61% | 0.607 | S | S | * | * | | | trans | -49.2 | 125.8 | 172.5 | -170.7 | 160.4 | -150.4 | 0 | 0 | 108.4 | Y246 E250 | Y246-E248 VanDerWaalsContact C-N 3.32Å; Y246-E248 HydrophobicContact CD1-CB 4.21Å; Y246-E248 HydrophobicContact CE1-CB 4.3Å; Y246-E248 PolarHBondContact O-N 2.93Å; Y246-E248 VanDerWaalsContact O-N 3.16Å; E248-E250 PolarHBondContact O-N 3.01Å |
| 249 | P | 68.2 | Low | 71.1 | Confident | 78 Ų | 78 | 115.6 Ų | 115.6 | 51% | 0.506 | 62% | 0.622 | S | S | . | * | | | trans | -61.5 | 113.1 | 174.6 | 24.1 | -31.2 | 0 | 0 | 0 | 107.1 | P251 | P249-P251 VanDerWaalsContact O-N 3.08Š|
| 250 | E | 54.3 | Low | 69.8 | Low | 161 Ų | 161 | 116 Ų | 116 | 75% | 0.752 | 64% | 0.639 | S | S | * | * | | | trans | -38.9 | 118 | 175.2 | -112 | -74.7 | 146.4 | 0 | 0 | 108.7 | E248 T252 | E248-E250 PolarHBondContact O-N 3.01Å; E250-T252 WeakPolarHBondContact O-CA 3.28Å; E250-T252 PolarHBondContact O-N 2.83Å |
| 251 | P | 56.8 | Low | 68.7 | Low | 102 Ų | 102 | 109.1 Ų | 109.1 | 66% | 0.662 | 63% | 0.627 | S | S | * | * | | | trans | -61 | 104.7 | -170.7 | 23.1 | -33 | 0 | 0 | 0 | 108.1 | P249 A253 | P249-P251 VanDerWaalsContact O-N 3.08Å; P251-A253 PolarHBondContact O-N 3.33Å |
| 252 | T | 52.5 | Low | 68 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 58% | 0.583 | 63% | 0.628 | S | S | * | * | | | trans | -42.8 | 109.9 | -159 | -58.4 | 0 | 0 | 0 | 0 | 110.5 | E250 T254 | E250-T252 WeakPolarHBondContact O-CA 3.28Å; E250-T252 PolarHBondContact O-N 2.83Å; T252-T254 PolarHBondContact O-N 3.48Å |
| 253 | A | 49.8 | Very low | 67.8 | Low | 76 Ų | 76 | 110.2 Ų | 110.2 | 63% | 0.628 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -18.5 | 112.8 | -163.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P251 N255 | P251-A253 PolarHBondContact O-N 3.33Å; A253-N255 PolarHBondContact O-N 2.86Å |
| 254 | T | 50.1 | Low | 67.8 | Low | 115 Ų | 115 | 110.6 Ų | 110.6 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | | | trans | 10.2 | 97.1 | 164.1 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | T252 S256 | T252-T254 PolarHBondContact O-N 3.48Å; T254-S256 PolarHBondContact O-N 3.23Å; T254-S256 PolarHBondContact O-OG 3Å; T254-S256 VanDerWaalsContact O-OG 3.12Å |
| 255 | N | 50.2 | Low | 68.1 | Low | 147 Ų | 147 | 104.9 Ų | 104.9 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | | | trans | -68.8 | 36.3 | 169.6 | -85.3 | -85.6 | 0 | 0 | 0 | 111.7 | A253 V257 | A253-N255 PolarHBondContact O-N 2.86Å; N255-V257 PolarHBondContact O-N 2.88Å |
| 256 | S | 52.4 | Low | 68.2 | Low | 77 Ų | 77 | 105 Ų | 105 | 54% | 0.538 | 61% | 0.605 | S | S | . | * | | | trans | -63.8 | 88.3 | 156.6 | 53.8 | 0 | 0 | 0 | 0 | 107.6 | T254 S258 | T254-S256 PolarHBondContact O-N 3.23Å; T254-S256 PolarHBondContact O-OG 3Å; T254-S256 VanDerWaalsContact O-OG 3.12Å; S256-S258 VanDerWaalsContact C-N 3.26Å; S256-S258 PolarHBondContact O-N 3.16Å |
| 257 | V | 56.9 | Low | 68.3 | Low | 118 Ų | 118 | 106.7 Ų | 106.7 | 72% | 0.715 | 61% | 0.613 | S | S | * | * | | | trans | -59.7 | 97.2 | 161.2 | 179.3 | 0 | 0 | 0 | 0 | 106.5 | N255 I259 | N255-V257 PolarHBondContact O-N 2.88Å; V257-I259 VanDerWaalsContact C-N 3.35Å; V257-I259 HydrophobicContact CG1-CG1 4.12Å; V257-I259 PolarHBondContact O-N 3.42Å |
| 258 | S | 55.9 | Low | 68.7 | Low | 90 Ų | 90 | 99 Ų | 99 | 63% | 0.629 | 59% | 0.586 | S | S | * | * | | | trans | -66.7 | 96.4 | 171.7 | -61.8 | 0 | 0 | 0 | 0 | 107.8 | S256 T260 | S256-S258 VanDerWaalsContact C-N 3.26Å; S256-S258 PolarHBondContact O-N 3.16Å; S258-T260 PolarHBondContact O-N 3.3Å |
| 259 | I | 65.7 | Low | 69.4 | Low | 143 Ų | 143 | 100.5 Ų | 100.5 | 73% | 0.733 | 59% | 0.59 | S | S | * | * | | | trans | -72.2 | 76.1 | 175.7 | -55.2 | 178.6 | 0 | 0 | 0 | 108.2 | V257 G261 | V257-I259 VanDerWaalsContact C-N 3.35Å; V257-I259 HydrophobicContact CG1-CG1 4.12Å; V257-I259 PolarHBondContact O-N 3.42Å; I259-G261 WeakPolarHBondContact CG2-O 3.42Å; I259-G261 PolarHBondContact O-N 3.38Å |
| 260 | T | 64.5 | Low | 70.6 | Confident | 140 Ų | 140 | 100.1 Ų | 100.1 | 86% | 0.859 | 59% | 0.593 | S | S | * | * | | | trans | -81.4 | 63.4 | 178.3 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | S258 | S258-T260 PolarHBondContact O-N 3.3Š|
| 261 | G | 69.1 | Low | 72.3 | Confident | 45 Ų | 45 | 96.2 Ų | 96.2 | 46% | 0.464 | 58% | 0.577 | S | S | . | * | S | Bend | trans | 158.3 | 129.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I259 | I259-G261 WeakPolarHBondContact CG2-O 3.42Å; I259-G261 PolarHBondContact O-N 3.38Å |
| 262 | S | 79.8 | Confident | 73.8 | Confident | 78 Ų | 78 | 93.1 Ų | 93.1 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | | | trans | -73.4 | 139.4 | 167.6 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | D264 D265 H266 | S262-D264 PolarHBondContact O-N 2.59Å; S262-D264 WeakPolarHBondContact OG-CB 3.27Å; S262-D264 PolarHBondContact OG-N 2.95Å; S262-D265 WeakPolarHBondContact O-CB 3.01Å; S262-D265 PolarHBondContact O-N 3.24Å; S262-H266 PolarHBondContact O-N 2.87Å |
| 263 | V | 87.2 | Confident | 75.5 | Confident | 104 Ų | 104 | 96.5 Ų | 96.5 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -55.6 | -36.1 | 170.8 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | D265 H266 F267 | V263-D265 VanDerWaalsContact C-N 3.33Å; V263-D265 PolarHBondContact O-N 3.48Å; V263-H266 WeakPolarHBondContact O-CB 3.22Å; V263-H266 PolarHBondContact O-N 3.37Å; V263-F267 HydrophobicContact CG1-CD2 3.84Å; V263-F267 HydrophobicContact CG1-CE2 3.58Å; V263-F267 VanDerWaalsContact O-CD2 3.25Å; V263-F267 WeakPolarHBondContact O-CD2 3.32Å; V263-F267 PolarHBondContact O-N 3.49Å |
| 264 | D | 88.7 | Confident | 77.4 | Confident | 49 Ų | 49 | 96.5 Ų | 96.5 | 26% | 0.262 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62 | -37.5 | 176.4 | -164 | -72.7 | 0 | 0 | 0 | 112.4 | S262 F267 A268 W275 K279 | S262-D264 PolarHBondContact O-N 2.59Å; S262-D264 WeakPolarHBondContact OG-CB 3.27Å; S262-D264 PolarHBondContact OG-N 2.95Å; D264-F267 PolarHBondContact O-N 3.46Å; D264-A268 VanDerWaalsContact O-CB 3.32Å; D264-A268 WeakPolarHBondContact O-CB 3.46Å; D264-A268 PolarHBondContact O-N 2.9Å; D264-W275 HydrophobicContact CB-CZ2 4.36Å; D264-W275 PolarHBondContact O-NE1 3.19Å; D264-W275 PolarHBondContact OD1-NE1 2.97Å; D264-W275 WeakPolarHBondContact OD2-CZ2 3.36Å; D264-W275 PolarHBondContact OD2-NE1 2.95Å; D264-K279 IonicContact OD1-NZ 2.71Å; D264-K279 PolarHBondContact OD1-NZ 3.33Å; D264-K279 VanDerWaalsContact OD2-CD 3.28Å; D264-K279 WeakPolarHBondContact OD2-CD 3.37Å; D264-K279 IonicContact OD2-NZ 2.79Å; D264-K279 PolarHBondContact OD2-NZ 3.36Å |
| 265 | D | 91 | Very high | 79.4 | Confident | 85 Ų | 85 | 93.1 Ų | 93.1 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.2 | -34.9 | 179.2 | -166.7 | 66.1 | 0 | 0 | 0 | 111.6 | S262 V263 A268 K269 | S262-D265 WeakPolarHBondContact O-CB 3.01Å; S262-D265 PolarHBondContact O-N 3.24Å; V263-D265 VanDerWaalsContact C-N 3.33Å; V263-D265 PolarHBondContact O-N 3.48Å; D265-A268 PolarHBondContact O-N 3.2Å; D265-K269 WeakPolarHBondContact O-CB 3.28Å; D265-K269 WeakPolarHBondContact O-CD 3.35Å; D265-K269 VanDerWaalsContact O-CG 3.24Å; D265-K269 WeakPolarHBondContact O-CG 3.48Å; D265-K269 PolarHBondContact O-N 2.99Å; D265-K269 VanDerWaalsContact OD2-CD 3.31Å; D265-K269 WeakPolarHBondContact OD2-CD 3.14Å; D265-K269 IonicContact OD2-NZ 3.75Å |
| 266 | H | 92.2 | Very high | 81.2 | Confident | 132 Ų | 132 | 90.2 Ų | 90.2 | 61% | 0.611 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -47.3 | 172 | -178.3 | 78.6 | 0 | 0 | 0 | 111.6 | S262 V263 K269 A270 | S262-H266 PolarHBondContact O-N 2.87Å; V263-H266 WeakPolarHBondContact O-CB 3.22Å; V263-H266 PolarHBondContact O-N 3.37Å; H266-K269 PolarHBondContact O-N 2.92Å; H266-A270 WeakPolarHBondContact O-CB 3.07Å; H266-A270 PolarHBondContact O-N 2.98Å |
| 267 | F | 91.5 | Very high | 82.8 | Confident | 81 Ų | 81 | 92.6 Ų | 92.6 | 36% | 0.355 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 176.8 | -76 | -70.5 | 0 | 0 | 0 | 112.8 | V263 D264 K269 A270 L271 W275 | V263-F267 HydrophobicContact CG1-CD2 3.84Å; V263-F267 HydrophobicContact CG1-CE2 3.58Å; V263-F267 VanDerWaalsContact O-CD2 3.25Å; V263-F267 WeakPolarHBondContact O-CD2 3.32Å; V263-F267 PolarHBondContact O-N 3.49Å; D264-F267 PolarHBondContact O-N 3.46Å; F267-K269 VanDerWaalsContact C-N 3.28Å; F267-K269 PolarHBondContact O-N 3.3Å; F267-A270 PolarHBondContact O-N 2.91Å; F267-L271 HydrophobicContact CD1-CD1 4.16Å; F267-L271 WeakPolarHBondContact O-CB 3.47Å; F267-L271 PolarHBondContact O-N 2.86Å; F267-W275 HydrophobicContact CB-CD2 3.43Å; F267-W275 VanDerWaalsContact CB-CD2 3.43Å; F267-W275 HydrophobicContact CB-CE3 3.62Å; F267-W275 HydrophobicContact CB-CG 3.89Å; F267-W275 HydrophobicContact CB-CH2 4.09Å; F267-W275 HydrophobicContact CB-CZ2 3.93Å; F267-W275 HydrophobicContact CB-CZ3 3.94Å; F267-W275 HydrophobicContact CD1-CE3 4.45Å; F267-W275 HydrophobicContact CD1-CZ3 4.37Å; F267-W275 AromaticContact CD2-CH2 3.98Å; F267-W275 HydrophobicContact CD2-CH2 3.98Å; F267-W275 HydrophobicContact CD2-CZ2 4.26Å; F267-W275 HydrophobicContact CD2-CZ3 4.23Å; F267-W275 HydrophobicContact CG-CD2 4.33Å; F267-W275 HydrophobicContact CG-CE3 4.07Å; F267-W275 HydrophobicContact CG-CH2 4.09Å; F267-W275 HydrophobicContact CG-CZ2 4.36Å; F267-W275 AromaticContact CG-CZ3 3.94Å; F267-W275 HydrophobicContact CG-CZ3 3.94Å |
| 268 | A | 91.5 | Very high | 84.3 | Confident | 31 Ų | 31 | 90.6 Ų | 90.6 | 26% | 0.256 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.9 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D264 D265 G272 | D264-A268 VanDerWaalsContact O-CB 3.32Å; D264-A268 WeakPolarHBondContact O-CB 3.46Å; D264-A268 PolarHBondContact O-N 2.9Å; D265-A268 PolarHBondContact O-N 3.2Å; A268-G272 WeakPolarHBondContact O-CA 3.42Å; A268-G272 PolarHBondContact O-N 3.12Å |
| 269 | K | 89.4 | Confident | 85.6 | Confident | 163 Ų | 163 | 90.1 Ų | 90.1 | 71% | 0.709 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -77.2 | -30.6 | 178.2 | -70.1 | 162.4 | 73.8 | 173 | 0 | 113.3 | D265 H266 F267 | D265-K269 WeakPolarHBondContact O-CB 3.28Å; D265-K269 WeakPolarHBondContact O-CD 3.35Å; D265-K269 VanDerWaalsContact O-CG 3.24Å; D265-K269 WeakPolarHBondContact O-CG 3.48Å; D265-K269 PolarHBondContact O-N 2.99Å; D265-K269 VanDerWaalsContact OD2-CD 3.31Å; D265-K269 WeakPolarHBondContact OD2-CD 3.14Å; D265-K269 IonicContact OD2-NZ 3.75Å; H266-K269 PolarHBondContact O-N 2.92Å; F267-K269 VanDerWaalsContact C-N 3.28Å; F267-K269 PolarHBondContact O-N 3.3Å |
| 270 | A | 92.4 | Very high | 86.4 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -80.9 | -36.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | H266 F267 | H266-A270 WeakPolarHBondContact O-CB 3.07Å; H266-A270 PolarHBondContact O-N 2.98Å; F267-A270 PolarHBondContact O-N 2.91Å |
| 271 | L | 90.4 | Very high | 86.9 | Confident | 80 Ų | 80 | 90 Ų | 90 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -117.6 | -8.7 | -171.4 | -58.4 | 176.2 | 0 | 0 | 0 | 113.8 | F267 T274 W275 | F267-L271 HydrophobicContact CD1-CD1 4.16Å; F267-L271 WeakPolarHBondContact O-CB 3.47Å; F267-L271 PolarHBondContact O-N 2.86Å; L271-T274 WeakPolarHBondContact O-CB 3.45Å; L271-T274 PolarHBondContact O-N 2.95Å; L271-T274 PolarHBondContact O-OG1 2.86Å; L271-W275 HydrophobicContact CB-CB 4.11Å |
| 272 | G | 89.4 | Confident | 86.6 | Confident | 36 Ų | 36 | 90.6 Ų | 90.6 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | -134.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | A268 T274 W275 | A268-G272 WeakPolarHBondContact O-CA 3.42Å; A268-G272 PolarHBondContact O-N 3.12Å; G272-T274 PolarHBondContact O-N 2.99Å; G272-W275 WeakPolarHBondContact O-CB 3.31Å; G272-W275 PolarHBondContact O-N 3.28Å |
| 273 | E | 88 | Confident | 85.1 | Confident | 167 Ų | 167 | 90.4 Ų | 90.4 | 78% | 0.78 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58 | -28.7 | 177.9 | -169.7 | 169.2 | -171.7 | 0 | 0 | 113.2 | W275 L276 Q277 | E273-W275 PolarHBondContact O-N 3.02Å; E273-L276 WeakPolarHBondContact O-CB 3.35Å; E273-L276 PolarHBondContact O-N 2.98Å; E273-L276 VanDerWaalsContact O-N 3.13Å; E273-Q277 PolarHBondContact O-N 2.75Å |
| 274 | T | 88.4 | Confident | 83.5 | Confident | 76 Ų | 76 | 92.2 Ų | 92.2 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -36.5 | 174.2 | -37 | 0 | 0 | 0 | 0 | 111.8 | L271 G272 Q277 I278 | L271-T274 WeakPolarHBondContact O-CB 3.45Å; L271-T274 PolarHBondContact O-N 2.95Å; L271-T274 PolarHBondContact O-OG1 2.86Å; G272-T274 PolarHBondContact O-N 2.99Å; T274-Q277 PolarHBondContact O-N 3.36Å; T274-I278 HydrophobicContact CG2-CD1 4.12Å; T274-I278 WeakPolarHBondContact O-CB 3.48Å; T274-I278 WeakPolarHBondContact O-CD1 3.45Å; T274-I278 VanDerWaalsContact O-CG1 3.23Å; T274-I278 WeakPolarHBondContact O-CG1 3.21Å; T274-I278 PolarHBondContact O-N 3.24Å |
| 275 | W | 92.3 | Very high | 81.6 | Confident | 44 Ų | 44 | 93.9 Ų | 93.9 | 17% | 0.167 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.8 | 174.4 | -119.1 | 0 | 0 | 0 | 112 | D264 F267 L271 G272 E273 Q277 I278 K279 | D264-W275 HydrophobicContact CB-CZ2 4.36Å; D264-W275 PolarHBondContact O-NE1 3.19Å; D264-W275 PolarHBondContact OD1-NE1 2.97Å; D264-W275 WeakPolarHBondContact OD2-CZ2 3.36Å; D264-W275 PolarHBondContact OD2-NE1 2.95Å; F267-W275 HydrophobicContact CB-CD2 3.43Å; F267-W275 VanDerWaalsContact CB-CD2 3.43Å; F267-W275 HydrophobicContact CB-CE3 3.62Å; F267-W275 HydrophobicContact CB-CG 3.89Å; F267-W275 HydrophobicContact CB-CH2 4.09Å; F267-W275 HydrophobicContact CB-CZ2 3.93Å; F267-W275 HydrophobicContact CB-CZ3 3.94Å; F267-W275 HydrophobicContact CD1-CE3 4.45Å; F267-W275 HydrophobicContact CD1-CZ3 4.37Å; F267-W275 AromaticContact CD2-CH2 3.98Å; F267-W275 HydrophobicContact CD2-CH2 3.98Å; F267-W275 HydrophobicContact CD2-CZ2 4.26Å; F267-W275 HydrophobicContact CD2-CZ3 4.23Å; F267-W275 HydrophobicContact CG-CD2 4.33Å; F267-W275 HydrophobicContact CG-CE3 4.07Å; F267-W275 HydrophobicContact CG-CH2 4.09Å; F267-W275 HydrophobicContact CG-CZ2 4.36Å; F267-W275 AromaticContact CG-CZ3 3.94Å; F267-W275 HydrophobicContact CG-CZ3 3.94Å; L271-W275 HydrophobicContact CB-CB 4.11Å; G272-W275 WeakPolarHBondContact O-CB 3.31Å; G272-W275 PolarHBondContact O-N 3.28Å; E273-W275 PolarHBondContact O-N 3.02Å; W275-Q277 VanDerWaalsContact C-N 3.32Å; W275-Q277 PolarHBondContact O-N 2.87Å; W275-I278 PolarHBondContact O-N 3.42Å; W275-K279 WeakPolarHBondContact O-CB 3.24Å; W275-K279 PolarHBondContact O-N 2.85Å |
| 276 | L | 87.5 | Confident | 79.9 | Confident | 86 Ų | 86 | 95.1 Ų | 95.1 | 45% | 0.45 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 175.7 | -64.5 | 174.1 | 0 | 0 | 0 | 111.1 | E273 I278 K279 N280 | E273-L276 WeakPolarHBondContact O-CB 3.35Å; E273-L276 PolarHBondContact O-N 2.98Å; E273-L276 VanDerWaalsContact O-N 3.13Å; L276-I278 PolarHBondContact O-N 3.39Å; L276-K279 PolarHBondContact O-N 3.39Å; L276-N280 WeakPolarHBondContact O-CB 3.13Å; L276-N280 PolarHBondContact O-N 3.08Å; L276-N280 PolarHBondContact O-ND2 3.05Å; L276-N280 PolarHBondContact O-OD1 3.23Å |
| 277 | Q | 86.9 | Confident | 77.7 | Confident | 127 Ų | 127 | 94.9 Ų | 94.9 | 59% | 0.593 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -38.8 | 177.3 | -157.5 | -175.9 | 47.9 | 0 | 0 | 112 | E273 T274 W275 K281 | E273-Q277 PolarHBondContact O-N 2.75Å; T274-Q277 PolarHBondContact O-N 3.36Å; W275-Q277 VanDerWaalsContact C-N 3.32Å; W275-Q277 PolarHBondContact O-N 2.87Å; Q277-K281 HydrophobicContact CG-CD 4.35Å; Q277-K281 WeakPolarHBondContact O-CB 3.3Å; Q277-K281 WeakPolarHBondContact O-CD 3.42Å; Q277-K281 VanDerWaalsContact O-CG 3.3Å; Q277-K281 WeakPolarHBondContact O-CG 3.25Å; Q277-K281 PolarHBondContact O-N 3.14Å; Q277-K281 VanDerWaalsContact O-N 3.17Å |
| 278 | I | 88.1 | Confident | 75.6 | Confident | 76 Ų | 76 | 94.4 Ų | 94.4 | 39% | 0.39 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.7 | -46.2 | 173.7 | -70.4 | 164.8 | 0 | 0 | 0 | 110.9 | T274 W275 L276 N280 K281 G282 | T274-I278 HydrophobicContact CG2-CD1 4.12Å; T274-I278 WeakPolarHBondContact O-CB 3.48Å; T274-I278 WeakPolarHBondContact O-CD1 3.45Å; T274-I278 VanDerWaalsContact O-CG1 3.23Å; T274-I278 WeakPolarHBondContact O-CG1 3.21Å; T274-I278 PolarHBondContact O-N 3.24Å; W275-I278 PolarHBondContact O-N 3.42Å; L276-I278 PolarHBondContact O-N 3.39Å; I278-N280 PolarHBondContact O-N 3.32Å; I278-K281 CarbonylContact O-C 3.44Å; I278-K281 PolarHBondContact O-N 3.01Å; I278-K281 VanDerWaalsContact O-N 3.15Å; I278-G282 PolarHBondContact O-N 3.37Å |
| 279 | K | 84.6 | Confident | 73.2 | Confident | 80 Ų | 80 | 98.4 Ų | 98.4 | 35% | 0.348 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.9 | -43.2 | 179.9 | -178.5 | 160.8 | 58.9 | 178.3 | 0 | 112.3 | D264 W275 L276 K281 G282 | D264-K279 IonicContact OD1-NZ 2.71Å; D264-K279 PolarHBondContact OD1-NZ 3.33Å; D264-K279 VanDerWaalsContact OD2-CD 3.28Å; D264-K279 WeakPolarHBondContact OD2-CD 3.37Å; D264-K279 IonicContact OD2-NZ 2.79Å; D264-K279 PolarHBondContact OD2-NZ 3.36Å; W275-K279 WeakPolarHBondContact O-CB 3.24Å; W275-K279 PolarHBondContact O-N 2.85Å; L276-K279 PolarHBondContact O-N 3.39Å; K279-K281 VanDerWaalsContact C-N 3.3Å; K279-K281 PolarHBondContact O-N 3.45Å; K279-G282 PolarHBondContact O-N 3.23Å |
| 280 | N | 81.7 | Confident | 71.3 | Confident | 124 Ų | 124 | 96.5 Ų | 96.5 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.9 | -32.2 | 175.8 | -66.6 | -8.2 | 0 | 0 | 0 | 112.2 | L276 I278 G282 | L276-N280 WeakPolarHBondContact O-CB 3.13Å; L276-N280 PolarHBondContact O-N 3.08Å; L276-N280 PolarHBondContact O-ND2 3.05Å; L276-N280 PolarHBondContact O-OD1 3.23Å; I278-N280 PolarHBondContact O-N 3.32Å; N280-G282 VanDerWaalsContact C-N 3.33Å |
| 281 | K | 75.8 | Confident | 69.4 | Low | 156 Ų | 156 | 98.5 Ų | 98.5 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -80 | -10.4 | 172.4 | -75.1 | 165.7 | 51.4 | -89.6 | 0 | 113.8 | Q277 I278 K279 | Q277-K281 HydrophobicContact CG-CD 4.35Å; Q277-K281 WeakPolarHBondContact O-CB 3.3Å; Q277-K281 WeakPolarHBondContact O-CD 3.42Å; Q277-K281 VanDerWaalsContact O-CG 3.3Å; Q277-K281 WeakPolarHBondContact O-CG 3.25Å; Q277-K281 PolarHBondContact O-N 3.14Å; Q277-K281 VanDerWaalsContact O-N 3.17Å; I278-K281 CarbonylContact O-C 3.44Å; I278-K281 PolarHBondContact O-N 3.01Å; I278-K281 VanDerWaalsContact O-N 3.15Å; K279-K281 VanDerWaalsContact C-N 3.3Å; K279-K281 PolarHBondContact O-N 3.45Å |
| 282 | G | 62.6 | Low | 67.5 | Low | 58 Ų | 58 | 101.5 Ų | 101.5 | 60% | 0.598 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -10.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I278 K279 N280 P284 | I278-G282 PolarHBondContact O-N 3.37Å; K279-G282 PolarHBondContact O-N 3.23Å; N280-G282 VanDerWaalsContact C-N 3.33Å; G282-P284 WeakPolarHBondContact O-CD 3.36Å |
| 283 | S | 47.9 | Very low | 65.1 | Low | 74 Ų | 74 | 105.4 Ų | 105.4 | 52% | 0.517 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -79.1 | 120.9 | 170.2 | -68.8 | 0 | 0 | 0 | 0 | 109.8 | S285 | S283-S285 PolarHBondContact O-N 3.34Š|
| 284 | P | 53.4 | Low | 63.1 | Low | 142 Ų | 142 | 102.8 Ų | 102.8 | 92% | 0.922 | 65% | 0.645 | S | S | * | * | | | trans | -78.2 | 54.8 | -179.9 | 34.2 | -36.9 | 0 | 0 | 0 | 111.7 | G282 | G282-P284 WeakPolarHBondContact O-CD 3.36Š|
| 285 | S | 48.6 | Very low | 61.5 | Low | 84 Ų | 84 | 104.7 Ų | 104.7 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -136.1 | 90.5 | -179.5 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | S283 | S283-S285 PolarHBondContact O-N 3.34Š|
| 286 | S | 54.6 | Low | 59.6 | Low | 110 Ų | 110 | 109.9 Ų | 109.9 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | | | trans | 51.2 | 98.3 | 156 | 57.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 287 | S | 46.8 | Very low | 57.8 | Low | 127 Ų | 127 | 110.9 Ų | 110.9 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | | | | 174.3 | 132.8 | 114.6 | -78.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 288 | G | 47.3 | Very low | 56.3 | Low | 71 Ų | 71 | 114.5 Ų | 114.5 | 73% | 0.732 | 71% | 0.712 | S | S | * | * | | | trans | 95.3 | 98.3 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 289 | S | 40.6 | Very low | 54.3 | Low | 115 Ų | 115 | 119.2 Ų | 119.2 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | 69.8 | 92.1 | 139.4 | -50.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 290 | S | 49.9 | Very low | 52.9 | Low | 123 Ų | 123 | 119.7 Ų | 119.7 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | | | trans | -57.6 | 140.5 | 135.7 | -51.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 291 | P | 51.8 | Low | 51.3 | Low | 113 Ų | 113 | 119.2 Ų | 119.2 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | | -136.4 | 130.3 | 122.9 | 33.5 | -21.7 | 0 | 0 | 0 | 113.3 | | |
| 292 | N | 50.6 | Low | 50 | Low | 142 Ų | 142 | 118.9 Ų | 118.9 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | trans | 28.7 | 108.6 | 139.2 | -167.4 | 32.1 | 0 | 0 | 0 | 119.1 | | |
| 293 | S | 40.7 | Very low | 49.3 | Very low | 118 Ų | 118 | 122 Ų | 122 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | | | trans | -154.7 | 89.3 | 147.6 | -80.4 | 0 | 0 | 0 | 0 | 109.9 | P295 | S293-P295 VanDerWaalsContact O-CD 3.3Å; S293-P295 WeakPolarHBondContact O-CD 3.38Å |
| 294 | S | 45.8 | Very low | 49.3 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | -76.9 | 123.7 | 156.7 | -67.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 295 | P | 54.2 | Low | 49 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | | | trans | -92.1 | 116.6 | 150 | 31.8 | -25.9 | 0 | 0 | 0 | 108.8 | S293 S297 | S293-P295 VanDerWaalsContact O-CD 3.3Å; S293-P295 WeakPolarHBondContact O-CD 3.38Å; P295-S297 PolarHBondContact O-N 3.11Å |
| 296 | D | 51.5 | Low | 49.6 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | -48.6 | 106.7 | 167 | -169.9 | -25.4 | 0 | 0 | 0 | 110.8 | R298 | D296-R298 PolarHBondContact OD1-N 2.9Š|
| 297 | S | 50.9 | Low | 49.1 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -103.4 | 96.2 | 164.2 | -173.3 | 0 | 0 | 0 | 0 | 107.5 | P295 M299 | P295-S297 PolarHBondContact O-N 3.11Å; S297-M299 PolarHBondContact O-N 3.38Å |
| 298 | R | 54.1 | Low | 49.4 | Very low | 203 Ų | 203 | 127.1 Ų | 127.1 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | trans | -52.8 | 99.4 | 177 | 76.8 | -170.2 | -151.4 | -168.7 | 6.5 | 110 | D296 V300 | D296-R298 PolarHBondContact OD1-N 2.9Å; R298-V300 HydrophobicContact CG-CG2 4.06Å; R298-V300 PolarHBondContact O-N 3.41Å; R298-V300 VanDerWaalsContact O-N 3.16Å |
| 299 | M | 47.8 | Very low | 49.6 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 86% | 0.862 | 76% | 0.761 | S | S | * | * | | | trans | -69.4 | 113.1 | 159.1 | -72.9 | -163.6 | 72 | 0 | 0 | 105.8 | S297 N301 | S297-M299 PolarHBondContact O-N 3.38Å; M299-N301 PolarHBondContact O-N 3.07Å |
| 300 | V | 55 | Low | 50.2 | Low | 91 Ų | 91 | 133.7 Ų | 133.7 | 55% | 0.552 | 78% | 0.784 | S | S | * | * | | | trans | -73.1 | 75 | -175.5 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | R298 H302 | R298-V300 HydrophobicContact CG-CG2 4.06Å; R298-V300 PolarHBondContact O-N 3.41Å; R298-V300 VanDerWaalsContact O-N 3.16Å; V300-H302 WeakPolarHBondContact CG1-CE1 3.35Å; V300-H302 VanDerWaalsContact CG1-ND1 3.35Å; V300-H302 WeakPolarHBondContact CG1-ND1 3.35Å; V300-H302 PolarHBondContact O-N 3.14Å; V300-H302 PolarHBondContact O-ND1 3.42Å |
| 301 | N | 46.9 | Very low | 50.2 | Low | 114 Ų | 114 | 134.2 Ų | 134.2 | 61% | 0.61 | 78% | 0.781 | S | S | * | * | | | trans | -69.2 | 84 | -173.2 | -176.4 | 89.6 | 0 | 0 | 0 | 110.9 | M299 N303 | M299-N301 PolarHBondContact O-N 3.07Å; N301-N303 WeakPolarHBondContact ND2-CB 3.45Å; N301-N303 VanDerWaalsContact ND2-CG 3.33Å; N301-N303 PolarHBondContact ND2-ND2 3.17Å; N301-N303 VanDerWaalsContact ND2-ND2 3.19Å; N301-N303 PolarHBondContact O-N 3.42Å |
| 302 | H | 48.8 | Very low | 50.1 | Low | 148 Ų | 148 | 135.3 Ų | 135.3 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | -77.8 | 68.1 | 169.1 | -78.5 | 63.3 | 0 | 0 | 0 | 110.5 | V300 H304 | V300-H302 WeakPolarHBondContact CG1-CE1 3.35Å; V300-H302 VanDerWaalsContact CG1-ND1 3.35Å; V300-H302 WeakPolarHBondContact CG1-ND1 3.35Å; V300-H302 PolarHBondContact O-N 3.14Å; V300-H302 PolarHBondContact O-ND1 3.42Å; H302-H304 PolarHBondContact O-N 3.23Å |
| 303 | N | 48.8 | Very low | 50.1 | Low | 123 Ų | 123 | 134.9 Ų | 134.9 | 66% | 0.658 | 78% | 0.784 | S | S | * | * | | | trans | -78.3 | 97.1 | 160.7 | -81.5 | -14.1 | 0 | 0 | 0 | 109 | N301 | N301-N303 WeakPolarHBondContact ND2-CB 3.45Å; N301-N303 VanDerWaalsContact ND2-CG 3.33Å; N301-N303 PolarHBondContact ND2-ND2 3.17Å; N301-N303 VanDerWaalsContact ND2-ND2 3.19Å; N301-N303 PolarHBondContact O-N 3.42Å |
| 304 | H | 46.7 | Very low | 50.6 | Low | 173 Ų | 173 | 135.9 Ų | 135.9 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | | | trans | -127.5 | 95.8 | 159.9 | -69.5 | -60.5 | 0 | 0 | 0 | 110.2 | H302 | H302-H304 PolarHBondContact O-N 3.23Š|
| 305 | S | 48 | Very low | 50.9 | Low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | trans | -109.9 | 173.1 | 147.4 | -62.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 306 | P | 60.8 | Low | 50.7 | Low | 124 Ų | 124 | 138.8 Ų | 138.8 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | cis | -126.5 | 171 | -31.6 | 36.6 | -22 | 0 | 0 | 0 | 112.3 | | |
| 307 | S | 43.8 | Very low | 50.6 | Low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -171.5 | 105 | 150.2 | -166.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 308 | V | 53.7 | Low | 50.6 | Low | 126 Ų | 126 | 140.2 Ų | 140.2 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | | 42.1 | 113.2 | 90.1 | -49.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 309 | V | 50.3 | Low | 50.3 | Low | 138 Ų | 138 | 135 Ų | 135 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | -161.5 | 112.1 | 135.5 | 86.4 | 0 | 0 | 0 | 0 | 103.5 | | |
| 310 | S | 53.4 | Low | 50.6 | Low | 185 Ų | 185 | 131.4 Ų | 131.4 | 100% | 1.294 | 78% | 0.778 | S | S | * | * | | | | 60.8 | 0 | 60.8 | -71.6 | 0 | 0 | 0 | 0 | 113.7 | | |