| 1 | M | 38.9 | Very low | 38.7 | Very low | 239 Ų | 239 | 157.5 Ų | 157.5 | 100% | 1.177 | 86% | 0.86 | S | S | * | * | | | | 0 | 120.2 | 0 | -64.1 | 165.3 | 87.1 | 0 | 0 | 106.7 | | |
| 2 | S | 36.6 | Very low | 38.9 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | | | trans | -95.2 | 115.1 | -176.1 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | A4 | S2-A4 PolarHBondContact O-N 3.17Å; S2-A4 VanDerWaalsContact O-N 3.12Å |
| 3 | V | 41.3 | Very low | 39.3 | Very low | 129 Ų | 129 | 157.7 Ų | 157.7 | 78% | 0.782 | 85% | 0.853 | S | S | * | * | | | trans | -77.5 | 95.8 | 175.6 | -74.4 | 0 | 0 | 0 | 0 | 109.8 | F5 | V3-F5 PolarHBondContact O-N 2.93Š|
| 4 | A | 37.3 | Very low | 39.9 | Very low | 90 Ų | 90 | 150.3 Ų | 150.3 | 74% | 0.744 | 83% | 0.832 | S | S | * | * | | | trans | -69.2 | 119.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S2 S6 | S2-A4 PolarHBondContact O-N 3.17Å; S2-A4 VanDerWaalsContact O-N 3.12Å; A4-S6 PolarHBondContact O-N 3.04Å |
| 5 | F | 36 | Very low | 40.7 | Very low | 200 Ų | 200 | 152.1 Ų | 152.1 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | | | trans | -67 | 103.7 | 170.5 | -78.1 | -91.8 | 0 | 0 | 0 | 109.2 | V3 S7 | V3-F5 PolarHBondContact O-N 2.93Å; F5-S7 PolarHBondContact O-N 3.14Å |
| 6 | S | 34.6 | Very low | 42.3 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | | | trans | -60.6 | 100.4 | 169.7 | -69.8 | 0 | 0 | 0 | 0 | 109.6 | A4 T8 | A4-S6 PolarHBondContact O-N 3.04Å; S6-T8 PolarHBondContact O-N 2.89Å |
| 7 | S | 37 | Very low | 44.5 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -53 | 112.2 | 171.1 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | F5 R9 | F5-S7 PolarHBondContact O-N 3.14Å; S7-R9 VanDerWaalsContact C-N 3.27Å; S7-R9 PolarHBondContact O-N 3.38Å |
| 8 | T | 44.2 | Very low | 46.8 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | -72.8 | 86.6 | 179.9 | 35 | 0 | 0 | 0 | 0 | 109.7 | S6 | S6-T8 PolarHBondContact O-N 2.89Š|
| 9 | R | 35.8 | Very low | 48.9 | Very low | 217 Ų | 217 | 144.2 Ų | 144.2 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | | | trans | 18.3 | 115.6 | 152.8 | -162.8 | 177 | -155.5 | -126.1 | 4.4 | 114.7 | S7 R11 | S7-R9 VanDerWaalsContact C-N 3.27Å; S7-R9 PolarHBondContact O-N 3.38Å; R9-R11 PolarHBondContact O-N 3.4Å |
| 10 | P | 42.8 | Very low | 50.9 | Low | 130 Ų | 130 | 140.1 Ų | 140.1 | 84% | 0.844 | 76% | 0.759 | S | S | * | * | | | trans | -56.8 | 108.2 | -177.9 | 24.8 | -34 | 0 | 0 | 0 | 109.9 | S12 | P10-S12 PolarHBondContact O-N 3.18Š|
| 11 | R | 41.5 | Very low | 52.8 | Low | 234 Ų | 234 | 135.6 Ų | 135.6 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | | | trans | -76.3 | 95.7 | -171.1 | -174.1 | 178.1 | -178.7 | 126.3 | -0.8 | 108.6 | R9 | R9-R11 PolarHBondContact O-N 3.4Š|
| 12 | S | 41.1 | Very low | 55.4 | Low | 96 Ų | 96 | 128.9 Ų | 128.9 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | | | trans | 48.5 | 128.3 | 161.9 | 54.1 | 0 | 0 | 0 | 0 | 117.1 | P10 G14 | P10-S12 PolarHBondContact O-N 3.18Å; S12-G14 PolarHBondContact O-N 3.26Å |
| 13 | K | 43.3 | Very low | 58.1 | Low | 221 Ų | 221 | 129.6 Ų | 129.6 | 96% | 0.961 | 69% | 0.687 | S | S | * | * | | | trans | -59.8 | 77.1 | 161.8 | -72.7 | -179 | 172 | -176.8 | 0 | 111.5 | | |
| 14 | G | 48.4 | Very low | 60.5 | Low | 54 Ų | 54 | 124.2 Ų | 124.2 | 56% | 0.557 | 65% | 0.654 | S | S | * | * | | | trans | -85.6 | 122.1 | 144.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | S12 V16 | S12-G14 PolarHBondContact O-N 3.26Å; G14-V16 PolarHBondContact O-N 3.43Å |
| 15 | E | 51.3 | Low | 63.2 | Low | 178 Ų | 178 | 123.7 Ų | 123.7 | 83% | 0.832 | 64% | 0.638 | S | S | * | * | | | trans | -54.7 | 126.6 | 173.1 | -64.3 | -177.3 | 140.8 | 0 | 0 | 108.1 | T17 | E15-T17 PolarHBondContact O-N 3.41Å; E15-T17 PolarHBondContact O-OG1 2.91Å |
| 16 | V | 66.5 | Low | 66.1 | Low | 59 Ų | 59 | 118.6 Ų | 118.6 | 36% | 0.358 | 62% | 0.62 | S | S | . | * | | | trans | -75.5 | 84.9 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 107.2 | G14 I21 I64 | G14-V16 PolarHBondContact O-N 3.43Å; V16-I21 HydrophobicContact CG1-CD1 4Å; V16-I21 HydrophobicContact CG1-CG1 3.81Å; V16-I64 HydrophobicContact CB-CG2 4.23Å; V16-I64 HydrophobicContact CG1-CD1 3.62Å; V16-I64 HydrophobicContact CG1-CG1 4.11Å; V16-I64 HydrophobicContact CG1-CG2 3.81Å; V16-I64 HydrophobicContact CG2-CD1 4.43Å; V16-I64 HydrophobicContact CG2-CG1 4.28Å |
| 17 | T | 80.8 | Confident | 69 | Low | 70 Ų | 70 | 116.6 Ų | 116.6 | 43% | 0.429 | 60% | 0.598 | S | S | . | * | | | trans | -62.3 | 143.2 | -176.7 | -42 | 0 | 0 | 0 | 0 | 110.2 | E15 Q19 T20 I21 | E15-T17 PolarHBondContact O-N 3.41Å; E15-T17 PolarHBondContact O-OG1 2.91Å; T17-Q19 HydrophobicContact CG2-CB 4.19Å; T17-Q19 HydrophobicContact CG2-CG 4.32Å; T17-Q19 PolarHBondContact O-N 2.73Å; T17-Q19 VanDerWaalsContact O-N 3.08Å; T17-T20 WeakPolarHBondContact O-CB 3.35Å; T17-T20 PolarHBondContact O-N 3.01Å; T17-I21 PolarHBondContact O-N 3.43Å |
| 18 | Q | 85.4 | Confident | 71.9 | Confident | 168 Ų | 168 | 111.4 Ų | 111.4 | 79% | 0.785 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -51.6 | -33.1 | 172.5 | -82.1 | -172.7 | -10.6 | 0 | 0 | 112.7 | T20 I21 Q22 | Q18-T20 PolarHBondContact O-N 3.17Å; Q18-I21 PolarHBondContact O-N 2.77Å; Q18-Q22 WeakPolarHBondContact O-CB 3.46Å; Q18-Q22 PolarHBondContact O-N 3.14Å |
| 19 | Q | 87.1 | Confident | 74.4 | Confident | 161 Ų | 161 | 110.3 Ų | 110.3 | 75% | 0.752 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.8 | -39.7 | 174.8 | -66.8 | -176.6 | -9.5 | 0 | 0 | 113.2 | T17 K23 | T17-Q19 HydrophobicContact CG2-CB 4.19Å; T17-Q19 HydrophobicContact CG2-CG 4.32Å; T17-Q19 PolarHBondContact O-N 2.73Å; T17-Q19 VanDerWaalsContact O-N 3.08Å; Q19-K23 WeakPolarHBondContact O-CB 3.47Å; Q19-K23 PolarHBondContact O-N 3.12Å |
| 20 | T | 87.9 | Confident | 77.3 | Confident | 62 Ų | 62 | 105.1 Ų | 105.1 | 38% | 0.38 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 176.7 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | T17 Q18 M24 | T17-T20 WeakPolarHBondContact O-CB 3.35Å; T17-T20 PolarHBondContact O-N 3.01Å; Q18-T20 PolarHBondContact O-N 3.17Å; T20-M24 WeakPolarHBondContact O-CG 3.27Å; T20-M24 PolarHBondContact O-N 3.34Å; T20-M24 VanDerWaalsContact O-N 3.16Å |
| 21 | I | 91.9 | Very high | 79.9 | Confident | 46 Ų | 46 | 99.3 Ų | 99.3 | 24% | 0.236 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -60.9 | -50.7 | 173.9 | -66.3 | 170 | 0 | 0 | 0 | 110.2 | V16 T17 Q18 K23 M24 L25 L61 I64 | V16-I21 HydrophobicContact CG1-CD1 4Å; V16-I21 HydrophobicContact CG1-CG1 3.81Å; T17-I21 PolarHBondContact O-N 3.43Å; Q18-I21 PolarHBondContact O-N 2.77Å; I21-K23 PolarHBondContact O-N 3.35Å; I21-M24 PolarHBondContact O-N 3.1Å; I21-M24 VanDerWaalsContact O-N 3.15Å; I21-L25 HydrophobicContact CG2-CD1 4.14Å; I21-L25 WeakPolarHBondContact O-CG 3.34Å; I21-L25 PolarHBondContact O-N 3.23Å; I21-L61 HydrophobicContact CB-CD2 4.47Å; I21-L61 HydrophobicContact CG2-CD2 3.83Å; I21-I64 HydrophobicContact CD1-CG2 4.26Å |
| 22 | Q | 92.9 | Very high | 82.5 | Confident | 97 Ų | 97 | 92.2 Ų | 92.2 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 179.6 | -171.8 | 59.7 | 52.4 | 0 | 0 | 111.4 | Q18 M24 L25 D26 | Q18-Q22 WeakPolarHBondContact O-CB 3.46Å; Q18-Q22 PolarHBondContact O-N 3.14Å; Q22-M24 PolarHBondContact O-N 3.16Å; Q22-L25 WeakPolarHBondContact O-CA 3.49Å; Q22-L25 WeakPolarHBondContact O-CB 3.46Å; Q22-L25 PolarHBondContact O-N 2.9Å; Q22-D26 PolarHBondContact NE2-OD1 2.74Å; Q22-D26 PolarHBondContact O-N 3.2Å |
| 23 | K | 92.5 | Very high | 85.1 | Confident | 142 Ų | 142 | 92.4 Ų | 92.4 | 62% | 0.617 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -54.5 | -40.6 | 176.3 | -177.5 | 179.5 | 177.2 | -177.6 | 0 | 112.3 | Q19 I21 E27 | Q19-K23 WeakPolarHBondContact O-CB 3.47Å; Q19-K23 PolarHBondContact O-N 3.12Å; I21-K23 PolarHBondContact O-N 3.35Å; K23-E27 VanDerWaalsContact O-CB 3.27Å; K23-E27 WeakPolarHBondContact O-CB 3.3Å; K23-E27 PolarHBondContact O-N 3.24Å |
| 24 | M | 92.2 | Very high | 87.6 | Confident | 17 Ų | 17 | 82.8 Ų | 82.8 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -74 | -29.4 | 177.1 | -66.8 | -177.6 | -50.6 | 0 | 0 | 113.2 | T20 I21 Q22 N28 Y60 L61 I64 | T20-M24 WeakPolarHBondContact O-CG 3.27Å; T20-M24 PolarHBondContact O-N 3.34Å; T20-M24 VanDerWaalsContact O-N 3.16Å; I21-M24 PolarHBondContact O-N 3.1Å; I21-M24 VanDerWaalsContact O-N 3.15Å; Q22-M24 PolarHBondContact O-N 3.16Å; M24-N28 VanDerWaalsContact O-CB 3.26Å; M24-N28 WeakPolarHBondContact O-CB 3.19Å; M24-N28 PolarHBondContact O-N 3.25Å; M24-N28 PolarHBondContact O-ND2 3.32Å; M24-N28 PolarHBondContact O-OD1 3.1Å; M24-Y60 HydrophobicContact CE-CD1 3.55Å; M24-Y60 HydrophobicContact CE-CE1 3.53Å; M24-Y60 HydrophobicContact SD-CD1 3.38Å; M24-Y60 WeakPolarHBondContact SD-CD1 3.31Å; M24-Y60 HydrophobicContact SD-CE1 3.5Å; M24-Y60 VanDerWaalsContact SD-CE1 3.5Å; M24-L61 HydrophobicContact CE-CD2 3.67Å; M24-L61 HydrophobicContact CE-CG 4.05Å; M24-I64 HydrophobicContact CE-CD1 4.25Å |
| 25 | L | 95.1 | Very high | 89.9 | Confident | 79 Ų | 79 | 81 Ų | 81 | 41% | 0.414 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 171.6 | -67.3 | 171.9 | 0 | 0 | 0 | 111 | I21 Q22 N28 H29 L61 | I21-L25 HydrophobicContact CG2-CD1 4.14Å; I21-L25 WeakPolarHBondContact O-CG 3.34Å; I21-L25 PolarHBondContact O-N 3.23Å; Q22-L25 WeakPolarHBondContact O-CA 3.49Å; Q22-L25 WeakPolarHBondContact O-CB 3.46Å; Q22-L25 PolarHBondContact O-N 2.9Å; L25-N28 PolarHBondContact O-N 3.18Å; L25-H29 PolarHBondContact O-N 2.73Å; L25-L61 HydrophobicContact CD2-CD1 3.8Å; L25-L61 HydrophobicContact CG-CD1 4.46Å |
| 26 | D | 96.1 | Very high | 91.9 | Very high | 92 Ų | 92 | 78.4 Ų | 78.4 | 49% | 0.492 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.3 | -54.8 | -27.8 | 0 | 0 | 0 | 110.9 | Q22 H29 H30 | Q22-D26 PolarHBondContact NE2-OD1 2.74Å; Q22-D26 PolarHBondContact O-N 3.2Å; D26-H29 WeakPolarHBondContact O-CB 3.41Å; D26-H29 PolarHBondContact O-N 2.9Å; D26-H30 PolarHBondContact O-N 3.18Å |
| 27 | E | 96 | Very high | 93.3 | Very high | 70 Ų | 70 | 79.5 Ų | 79.5 | 33% | 0.327 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 173.2 | -169.2 | -176.8 | 136 | 0 | 0 | 111.2 | K23 H29 H30 L31 N57 | K23-E27 VanDerWaalsContact O-CB 3.27Å; K23-E27 WeakPolarHBondContact O-CB 3.3Å; K23-E27 PolarHBondContact O-N 3.24Å; E27-H29 VanDerWaalsContact C-N 3.32Å; E27-H29 PolarHBondContact O-N 3.37Å; E27-H30 PolarHBondContact O-N 3.03Å; E27-H30 VanDerWaalsContact O-N 3.17Å; E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.41Å; E27-L31 WeakPolarHBondContact O-CB 3.45Å; E27-L31 WeakPolarHBondContact O-CG 2.99Å; E27-L31 PolarHBondContact O-N 2.93Å; E27-N57 PolarHBondContact OE1-ND2 2.89Å |
| 28 | N | 96.5 | Very high | 93.8 | Very high | 9 Ų | 9 | 79 Ų | 79 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 175.9 | -72.4 | -12.6 | 0 | 0 | 0 | 112.1 | M24 L25 L31 I32 L54 N57 L61 | M24-N28 VanDerWaalsContact O-CB 3.26Å; M24-N28 WeakPolarHBondContact O-CB 3.19Å; M24-N28 PolarHBondContact O-N 3.25Å; M24-N28 PolarHBondContact O-ND2 3.32Å; M24-N28 PolarHBondContact O-OD1 3.1Å; L25-N28 PolarHBondContact O-N 3.18Å; N28-L31 PolarHBondContact O-N 3.43Å; N28-I32 WeakPolarHBondContact O-CD1 3.48Å; N28-I32 VanDerWaalsContact O-CG1 3.25Å; N28-I32 WeakPolarHBondContact O-CG1 3.34Å; N28-I32 PolarHBondContact O-N 3.48Å; N28-L54 HydrophobicContact CB-CD1 3.72Å; N28-N57 WeakPolarHBondContact OD1-CB 3.29Å; N28-N57 PolarHBondContact OD1-ND2 3.3Å; N28-L61 WeakPolarHBondContact ND2-CD1 3.4Å |
| 29 | H | 97.6 | Very high | 94.1 | Very high | 114 Ų | 114 | 76.5 Ų | 76.5 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 174.1 | -171.6 | -19.3 | 0 | 0 | 0 | 111.3 | L25 D26 E27 I32 Q33 | L25-H29 PolarHBondContact O-N 2.73Å; D26-H29 WeakPolarHBondContact O-CB 3.41Å; D26-H29 PolarHBondContact O-N 2.9Å; E27-H29 VanDerWaalsContact C-N 3.32Å; E27-H29 PolarHBondContact O-N 3.37Å; H29-I32 PolarHBondContact O-N 2.94Å; H29-Q33 PolarHBondContact CE1-NE2 3.4Å; H29-Q33 PolarHBondContact O-N 3.32Å |
| 30 | H | 97.1 | Very high | 94.4 | Very high | 109 Ų | 109 | 73.3 Ų | 73.3 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 177.7 | -178 | 60.8 | 0 | 0 | 0 | 112.2 | D26 E27 I32 Q33 C34 | D26-H30 PolarHBondContact O-N 3.18Å; E27-H30 PolarHBondContact O-N 3.03Å; E27-H30 VanDerWaalsContact O-N 3.17Å; H30-I32 PolarHBondContact O-N 3.43Å; H30-Q33 PolarHBondContact O-N 2.84Å; H30-C34 PolarHBondContact CE1-SG 3.48Å; H30-C34 PolarHBondContact NE2-SG 3.08Å; H30-C34 WeakPolarHBondContact O-CB 3.49Å; H30-C34 PolarHBondContact O-N 3.43Å |
| 31 | L | 96.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.7 | -71.4 | 167.9 | 0 | 0 | 0 | 111.6 | E27 N28 Q33 C34 I35 Y50 I53 L54 | E27-L31 HydrophobicContact CG-CD1 4.07Å; E27-L31 HydrophobicContact CG-CG 4.41Å; E27-L31 WeakPolarHBondContact O-CB 3.45Å; E27-L31 WeakPolarHBondContact O-CG 2.99Å; E27-L31 PolarHBondContact O-N 2.93Å; N28-L31 PolarHBondContact O-N 3.43Å; L31-Q33 PolarHBondContact O-N 2.9Å; L31-C34 PolarHBondContact O-N 3.04Å; L31-I35 WeakPolarHBondContact O-CB 3.49Å; L31-I35 WeakPolarHBondContact O-CD1 3.15Å; L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.06Å; L31-Y50 HydrophobicContact CD2-CD1 3.5Å; L31-Y50 VanDerWaalsContact CD2-CD1 3.5Å; L31-Y50 HydrophobicContact CD2-CE1 4.35Å; L31-Y50 HydrophobicContact CD2-CG 4.27Å; L31-I53 HydrophobicContact CD1-CB 4.21Å; L31-I53 HydrophobicContact CD1-CG2 3.7Å; L31-I53 HydrophobicContact CD2-CB 4.26Å; L31-I53 HydrophobicContact CD2-CG2 4.2Å; L31-L54 HydrophobicContact CB-CB 4.28Å; L31-L54 HydrophobicContact CB-CD1 4.29Å; L31-L54 HydrophobicContact CD1-CB 4.15Å; L31-L54 HydrophobicContact CD1-CD1 4.47Å |
| 32 | I | 96.6 | Very high | 94.6 | Very high | 86 Ų | 86 | 76.6 Ų | 76.6 | 44% | 0.441 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.7 | -69.4 | 163.3 | 0 | 0 | 0 | 111.2 | N28 H29 H30 I35 M36 L54 | N28-I32 WeakPolarHBondContact O-CD1 3.48Å; N28-I32 VanDerWaalsContact O-CG1 3.25Å; N28-I32 WeakPolarHBondContact O-CG1 3.34Å; N28-I32 PolarHBondContact O-N 3.48Å; H29-I32 PolarHBondContact O-N 2.94Å; H30-I32 PolarHBondContact O-N 3.43Å; I32-I35 PolarHBondContact O-N 2.83Å; I32-M36 WeakPolarHBondContact O-CB 3.04Å; I32-M36 PolarHBondContact O-N 2.87Å; I32-L54 HydrophobicContact CD1-CD1 4.42Å; I32-L54 HydrophobicContact CG1-CD1 4.16Å; I32-L54 HydrophobicContact CG1-CD2 3.74Å |
| 33 | Q | 96.5 | Very high | 94.6 | Very high | 99 Ų | 99 | 76.3 Ų | 76.3 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 175 | -73.7 | 172.9 | -25.3 | 0 | 0 | 111.5 | H29 H30 L31 I35 M36 D37 | H29-Q33 PolarHBondContact CE1-NE2 3.4Å; H29-Q33 PolarHBondContact O-N 3.32Å; H30-Q33 PolarHBondContact O-N 2.84Å; L31-Q33 PolarHBondContact O-N 2.9Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 2.59Å; Q33-M36 WeakPolarHBondContact O-CB 3.5Å; Q33-M36 PolarHBondContact O-N 3.32Å; Q33-D37 WeakPolarHBondContact O-CB 3.37Å; Q33-D37 PolarHBondContact O-N 3.41Å |
| 34 | C | 95.6 | Very high | 94.4 | Very high | 20 Ų | 20 | 74.6 Ų | 74.6 | 14% | 0.135 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58 | -44.5 | 176.7 | -78.3 | 0 | 0 | 0 | 0 | 112 | H30 L31 M36 D37 Y38 | H30-C34 PolarHBondContact CE1-SG 3.48Å; H30-C34 PolarHBondContact NE2-SG 3.08Å; H30-C34 WeakPolarHBondContact O-CB 3.49Å; H30-C34 PolarHBondContact O-N 3.43Å; L31-C34 PolarHBondContact O-N 3.04Å; C34-M36 VanDerWaalsContact C-N 3.34Å; C34-M36 PolarHBondContact O-N 3.22Å; C34-D37 PolarHBondContact O-N 3.11Å; C34-Y38 HydrophobicContact CB-CD2 4.21Å; C34-Y38 HydrophobicContact CB-CE2 4.14Å; C34-Y38 WeakPolarHBondContact O-CB 3.33Å; C34-Y38 WeakPolarHBondContact O-CD2 3.47Å; C34-Y38 PolarHBondContact O-N 3.29Å |
| 35 | I | 95.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 77.5 Ų | 77.5 | 8% | 0.077 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 176.3 | -73.2 | 163.5 | 0 | 0 | 0 | 111.2 | L31 I32 Q33 Y38 Q39 Q51 L54 | L31-I35 WeakPolarHBondContact O-CB 3.49Å; L31-I35 WeakPolarHBondContact O-CD1 3.15Å; L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.06Å; I32-I35 PolarHBondContact O-N 2.83Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 2.59Å; I35-Y38 PolarHBondContact O-N 2.95Å; I35-Q39 WeakPolarHBondContact O-CB 3.45Å; I35-Q39 VanDerWaalsContact O-CG 3.3Å; I35-Q39 WeakPolarHBondContact O-CG 3.25Å; I35-Q39 PolarHBondContact O-N 2.82Å; I35-Q51 HydrophobicContact CD1-CG 3.99Å; I35-Q51 HydrophobicContact CG1-CG 4.37Å; I35-Q51 HydrophobicContact CG2-CG 4.49Å; I35-L54 HydrophobicContact CD1-CB 4.34Å; I35-L54 HydrophobicContact CD1-CD2 3.75Å |
| 36 | M | 93.8 | Very high | 94.3 | Very high | 125 Ų | 125 | 76.2 Ų | 76.2 | 62% | 0.616 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.9 | -45.9 | 178.1 | -165.4 | -175.5 | -50.3 | 0 | 0 | 111.6 | I32 Q33 C34 Q39 S40 | I32-M36 WeakPolarHBondContact O-CB 3.04Å; I32-M36 PolarHBondContact O-N 2.87Å; Q33-M36 WeakPolarHBondContact O-CB 3.5Å; Q33-M36 PolarHBondContact O-N 3.32Å; C34-M36 VanDerWaalsContact C-N 3.34Å; C34-M36 PolarHBondContact O-N 3.22Å; M36-Q39 PolarHBondContact O-N 2.95Å; M36-S40 PolarHBondContact O-N 3.4Å |
| 37 | D | 94.5 | Very high | 94.2 | Very high | 82 Ų | 82 | 72.2 Ų | 72.2 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 175.6 | -105.2 | 30.7 | 0 | 0 | 0 | 112.2 | Q33 C34 S40 K41 | Q33-D37 WeakPolarHBondContact O-CB 3.37Å; Q33-D37 PolarHBondContact O-N 3.41Å; C34-D37 PolarHBondContact O-N 3.11Å; D37-S40 PolarHBondContact O-N 3.45Å; D37-S40 PolarHBondContact O-OG 3.17Å; D37-K41 WeakPolarHBondContact O-CD 3.4Å; D37-K41 VanDerWaalsContact O-CG 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.28Å; D37-K41 PolarHBondContact O-N 3.03Å; D37-K41 VanDerWaalsContact O-N 3.12Å; D37-K41 IonicContact OD2-NZ 3.56Å; D37-K41 PolarHBondContact OD2-NZ 3.46Å |
| 38 | Y | 93.1 | Very high | 94.1 | Very high | 58 Ų | 58 | 70.6 Ų | 70.6 | 23% | 0.227 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.8 | -33.2 | -179.6 | -73.9 | -57.7 | 0 | 0 | 0 | 112.8 | C34 I35 K41 G42 K43 E46 Y50 | C34-Y38 HydrophobicContact CB-CD2 4.21Å; C34-Y38 HydrophobicContact CB-CE2 4.14Å; C34-Y38 WeakPolarHBondContact O-CB 3.33Å; C34-Y38 WeakPolarHBondContact O-CD2 3.47Å; C34-Y38 PolarHBondContact O-N 3.29Å; I35-Y38 PolarHBondContact O-N 2.95Å; Y38-K41 PolarHBondContact O-N 3.43Å; Y38-G42 PolarHBondContact O-N 2.95Å; Y38-G42 VanDerWaalsContact O-N 3.16Å; Y38-K43 HydrophobicContact CD1-CB 3.69Å; Y38-K43 HydrophobicContact CD1-CD 3.52Å; Y38-K43 HydrophobicContact CD1-CG 4.24Å; Y38-K43 HydrophobicContact CE1-CD 3.73Å; Y38-K43 HydrophobicContact CG-CB 4.32Å; Y38-K43 PolarHBondContact O-N 3.41Å; Y38-E46 HydrophobicContact CD1-CB 4.22Å; Y38-E46 HydrophobicContact CD2-CB 4.37Å; Y38-E46 HydrophobicContact CE1-CB 4.37Å; Y38-E46 HydrophobicContact CG-CB 4.21Å; Y38-Y50 AromaticContact CD2-CD2 3.68Å; Y38-Y50 HydrophobicContact CD2-CD2 3.68Å; Y38-Y50 AromaticContact CD2-CE2 3.55Å; Y38-Y50 HydrophobicContact CD2-CE2 3.55Å; Y38-Y50 AromaticContact CE2-CD2 3.81Å; Y38-Y50 HydrophobicContact CE2-CD2 3.81Å; Y38-Y50 AromaticContact CE2-CE2 3.16Å; Y38-Y50 HydrophobicContact CE2-CE2 3.16Å; Y38-Y50 AromaticContact CE2-CZ 3.91Å |
| 39 | Q | 91.4 | Very high | 94 | Very high | 117 Ų | 117 | 75.9 Ų | 75.9 | 55% | 0.547 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 169.3 | -75.2 | 179.2 | 38.8 | 0 | 0 | 111.5 | I35 M36 K41 G42 | I35-Q39 WeakPolarHBondContact O-CB 3.45Å; I35-Q39 VanDerWaalsContact O-CG 3.3Å; I35-Q39 WeakPolarHBondContact O-CG 3.25Å; I35-Q39 PolarHBondContact O-N 2.82Å; M36-Q39 PolarHBondContact O-N 2.95Å; Q39-K41 PolarHBondContact O-N 3.47Å; Q39-G42 PolarHBondContact O-N 3.37Å; Q39-G42 VanDerWaalsContact O-N 3.1Å |
| 40 | S | 92.8 | Very high | 94 | Very high | 93 Ų | 93 | 73.2 Ų | 73.2 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61 | -28.2 | 177.6 | 77.1 | 0 | 0 | 0 | 0 | 113.4 | M36 D37 | M36-S40 PolarHBondContact O-N 3.4Å; D37-S40 PolarHBondContact O-N 3.45Å; D37-S40 PolarHBondContact O-OG 3.17Å |
| 41 | K | 93.1 | Very high | 93.9 | Very high | 121 Ų | 121 | 71 Ų | 71 | 53% | 0.526 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.4 | 179.9 | -65.5 | 162.9 | -163.7 | 164.1 | 0 | 113.5 | D37 Y38 Q39 K43 | D37-K41 WeakPolarHBondContact O-CD 3.4Å; D37-K41 VanDerWaalsContact O-CG 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.28Å; D37-K41 PolarHBondContact O-N 3.03Å; D37-K41 VanDerWaalsContact O-N 3.12Å; D37-K41 IonicContact OD2-NZ 3.56Å; D37-K41 PolarHBondContact OD2-NZ 3.46Å; Y38-K41 PolarHBondContact O-N 3.43Å; Q39-K41 PolarHBondContact O-N 3.47Å; K41-K43 HydrophobicContact CB-CD 4.38Å; K41-K43 PolarHBondContact O-N 2.98Å |
| 42 | G | 91 | Very high | 93.9 | Very high | 57 Ų | 57 | 76.3 Ų | 76.3 | 59% | 0.588 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 18 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y38 Q39 T44 | Y38-G42 PolarHBondContact O-N 2.95Å; Y38-G42 VanDerWaalsContact O-N 3.16Å; Q39-G42 PolarHBondContact O-N 3.37Å; Q39-G42 VanDerWaalsContact O-N 3.1Å; G42-T44 VanDerWaalsContact C-N 3.34Å; G42-T44 PolarHBondContact O-N 3.48Å; G42-T44 VanDerWaalsContact O-N 3.1Å |
| 43 | K | 92.1 | Very high | 93.8 | Very high | 91 Ų | 91 | 75 Ų | 75 | 40% | 0.396 | 40% | 0.4 | S | S | . | . | | | trans | -86.9 | 71.1 | -177.4 | -84.8 | 172.7 | 162.9 | -89.1 | 0 | 110.9 | Y38 K41 A45 E46 C47 | Y38-K43 HydrophobicContact CD1-CB 3.69Å; Y38-K43 HydrophobicContact CD1-CD 3.52Å; Y38-K43 HydrophobicContact CD1-CG 4.24Å; Y38-K43 HydrophobicContact CE1-CD 3.73Å; Y38-K43 HydrophobicContact CG-CB 4.32Å; Y38-K43 PolarHBondContact O-N 3.41Å; K41-K43 HydrophobicContact CB-CD 4.38Å; K41-K43 PolarHBondContact O-N 2.98Å; K43-A45 VanDerWaalsContact C-N 3.35Å; K43-A45 PolarHBondContact O-N 3.44Å; K43-E46 WeakPolarHBondContact CB-OE2 3.43Å; K43-E46 WeakPolarHBondContact CD-OE1 3.44Å; K43-E46 WeakPolarHBondContact CG-OE1 3.21Å; K43-E46 IonicContact NZ-OE1 2.73Å; K43-E46 PolarHBondContact NZ-OE1 2.96Å; K43-C47 WeakPolarHBondContact O-CB 3.43Å; K43-C47 PolarHBondContact O-N 3.39Å |
| 44 | T | 88.8 | Confident | 93.8 | Very high | 105 Ų | 105 | 71.4 Ų | 71.4 | 64% | 0.644 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.9 | -38.2 | -173.4 | -48.8 | 0 | 0 | 0 | 0 | 113 | G42 C47 T48 | G42-T44 VanDerWaalsContact C-N 3.34Å; G42-T44 PolarHBondContact O-N 3.48Å; G42-T44 VanDerWaalsContact O-N 3.1Å; T44-C47 WeakPolarHBondContact O-CB 3.42Å; T44-C47 PolarHBondContact O-N 3.44Å; T44-T48 PolarHBondContact O-N 3.33Å; T44-T48 PolarHBondContact O-OG1 3.05Å; T44-T48 VanDerWaalsContact O-OG1 3.08Å |
| 45 | A | 92.4 | Very high | 93.8 | Very high | 78 Ų | 78 | 76 Ų | 76 | 65% | 0.645 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.7 | -49.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K43 T48 Q49 | K43-A45 VanDerWaalsContact C-N 3.35Å; K43-A45 PolarHBondContact O-N 3.44Å; A45-T48 PolarHBondContact O-N 3.12Å; A45-Q49 PolarHBondContact O-N 3.37Å |
| 46 | E | 92.9 | Very high | 93.8 | Very high | 53 Ų | 53 | 84.3 Ų | 84.3 | 25% | 0.248 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 175.6 | -59.6 | 98.3 | 123.9 | 0 | 0 | 111.3 | Y38 K43 T48 Q49 Y50 | Y38-E46 HydrophobicContact CD1-CB 4.22Å; Y38-E46 HydrophobicContact CD2-CB 4.37Å; Y38-E46 HydrophobicContact CE1-CB 4.37Å; Y38-E46 HydrophobicContact CG-CB 4.21Å; K43-E46 WeakPolarHBondContact CB-OE2 3.43Å; K43-E46 WeakPolarHBondContact CD-OE1 3.44Å; K43-E46 WeakPolarHBondContact CG-OE1 3.21Å; K43-E46 IonicContact NZ-OE1 2.73Å; K43-E46 PolarHBondContact NZ-OE1 2.96Å; E46-T48 VanDerWaalsContact C-N 3.34Å; E46-T48 PolarHBondContact O-N 3.22Å; E46-Q49 WeakPolarHBondContact O-CB 3.25Å; E46-Q49 PolarHBondContact O-N 3.35Å; E46-Q49 VanDerWaalsContact O-N 3.12Å; E46-Y50 HydrophobicContact CB-CD2 4.45Å; E46-Y50 HydrophobicContact CB-CE2 4.16Å; E46-Y50 WeakPolarHBondContact O-CD2 3.26Å; E46-Y50 PolarHBondContact O-N 3.27Å |
| 47 | C | 93.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 79 Ų | 79 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -54.4 | -47.7 | 175.4 | -178.6 | 0 | 0 | 0 | 0 | 112 | K43 T44 Q49 Y50 Q51 | K43-C47 WeakPolarHBondContact O-CB 3.43Å; K43-C47 PolarHBondContact O-N 3.39Å; T44-C47 WeakPolarHBondContact O-CB 3.42Å; T44-C47 PolarHBondContact O-N 3.44Å; C47-Q49 VanDerWaalsContact C-N 3.33Å; C47-Q49 PolarHBondContact O-N 3.44Å; C47-Y50 PolarHBondContact O-N 3.06Å; C47-Q51 VanDerWaalsContact O-CG 3.28Å; C47-Q51 WeakPolarHBondContact O-CG 3.44Å; C47-Q51 PolarHBondContact O-N 3.2Å; C47-Q51 PolarHBondContact SG-NE2 3.25Å |
| 48 | T | 94.3 | Very high | 93.9 | Very high | 37 Ų | 37 | 79.5 Ų | 79.5 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 112 | T44 A45 E46 Q51 Q52 | T44-T48 PolarHBondContact O-N 3.33Å; T44-T48 PolarHBondContact O-OG1 3.05Å; T44-T48 VanDerWaalsContact O-OG1 3.08Å; A45-T48 PolarHBondContact O-N 3.12Å; E46-T48 VanDerWaalsContact C-N 3.34Å; E46-T48 PolarHBondContact O-N 3.22Å; T48-Q51 PolarHBondContact O-N 3.04Å; T48-Q52 WeakPolarHBondContact O-CG 3.48Å; T48-Q52 PolarHBondContact O-N 3.14Å; T48-Q52 VanDerWaalsContact O-N 3.14Å |
| 49 | Q | 95.4 | Very high | 94.1 | Very high | 120 Ų | 120 | 80 Ų | 80 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.7 | -49.3 | 176.1 | -174 | -175.4 | 15.8 | 0 | 0 | 111.7 | A45 E46 C47 Q51 Q52 I53 | A45-Q49 PolarHBondContact O-N 3.37Å; E46-Q49 WeakPolarHBondContact O-CB 3.25Å; E46-Q49 PolarHBondContact O-N 3.35Å; E46-Q49 VanDerWaalsContact O-N 3.12Å; C47-Q49 VanDerWaalsContact C-N 3.33Å; C47-Q49 PolarHBondContact O-N 3.44Å; Q49-Q51 VanDerWaalsContact C-N 3.33Å; Q49-Q51 PolarHBondContact O-N 3.31Å; Q49-Q52 PolarHBondContact O-N 3.47Å; Q49-I53 HydrophobicContact CG-CD1 4.46Å; Q49-I53 WeakPolarHBondContact O-CG1 3.4Å; Q49-I53 PolarHBondContact O-N 3.19Å |
| 50 | Y | 95.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 79.4 Ų | 79.4 | 23% | 0.227 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.5 | -33.8 | 179.8 | -67.3 | -63.7 | 0 | 0 | 0 | 112.5 | L31 Y38 E46 C47 Q52 I53 L54 | L31-Y50 HydrophobicContact CD2-CD1 3.5Å; L31-Y50 VanDerWaalsContact CD2-CD1 3.5Å; L31-Y50 HydrophobicContact CD2-CE1 4.35Å; L31-Y50 HydrophobicContact CD2-CG 4.27Å; Y38-Y50 AromaticContact CD2-CD2 3.68Å; Y38-Y50 HydrophobicContact CD2-CD2 3.68Å; Y38-Y50 AromaticContact CD2-CE2 3.55Å; Y38-Y50 HydrophobicContact CD2-CE2 3.55Å; Y38-Y50 AromaticContact CE2-CD2 3.81Å; Y38-Y50 HydrophobicContact CE2-CD2 3.81Å; Y38-Y50 AromaticContact CE2-CE2 3.16Å; Y38-Y50 HydrophobicContact CE2-CE2 3.16Å; Y38-Y50 AromaticContact CE2-CZ 3.91Å; E46-Y50 HydrophobicContact CB-CD2 4.45Å; E46-Y50 HydrophobicContact CB-CE2 4.16Å; E46-Y50 WeakPolarHBondContact O-CD2 3.26Å; E46-Y50 PolarHBondContact O-N 3.27Å; C47-Y50 PolarHBondContact O-N 3.06Å; Y50-Q52 VanDerWaalsContact C-N 3.35Å; Y50-Q52 PolarHBondContact O-N 3.39Å; Y50-I53 HydrophobicContact CD1-CD1 4.42Å; Y50-I53 PolarHBondContact O-N 3.05Å; Y50-L54 WeakPolarHBondContact O-CB 3.03Å; Y50-L54 PolarHBondContact O-N 3.3Å |
| 51 | Q | 95.4 | Very high | 94.2 | Very high | 63 Ų | 63 | 76.2 Ų | 76.2 | 29% | 0.294 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 172.4 | -75.4 | 172.8 | 2 | 0 | 0 | 112.5 | I35 C47 T48 Q49 L54 H55 | I35-Q51 HydrophobicContact CD1-CG 3.99Å; I35-Q51 HydrophobicContact CG1-CG 4.37Å; I35-Q51 HydrophobicContact CG2-CG 4.49Å; C47-Q51 VanDerWaalsContact O-CG 3.28Å; C47-Q51 WeakPolarHBondContact O-CG 3.44Å; C47-Q51 PolarHBondContact O-N 3.2Å; C47-Q51 PolarHBondContact SG-NE2 3.25Å; T48-Q51 PolarHBondContact O-N 3.04Å; Q49-Q51 VanDerWaalsContact C-N 3.33Å; Q49-Q51 PolarHBondContact O-N 3.31Å; Q51-L54 PolarHBondContact O-N 3.47Å; Q51-H55 VanDerWaalsContact O-CB 3.31Å; Q51-H55 WeakPolarHBondContact O-CB 3.21Å; Q51-H55 PolarHBondContact O-N 2.97Å |
| 52 | Q | 96.1 | Very high | 94.2 | Very high | 118 Ų | 118 | 72.7 Ų | 72.7 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 177.9 | -68 | -64.4 | -20.9 | 0 | 0 | 112.2 | T48 Q49 Y50 R56 | T48-Q52 WeakPolarHBondContact O-CG 3.48Å; T48-Q52 PolarHBondContact O-N 3.14Å; T48-Q52 VanDerWaalsContact O-N 3.14Å; Q49-Q52 PolarHBondContact O-N 3.47Å; Y50-Q52 VanDerWaalsContact C-N 3.35Å; Y50-Q52 PolarHBondContact O-N 3.39Å; Q52-R56 WeakPolarHBondContact O-CB 3.27Å; Q52-R56 PolarHBondContact O-N 2.89Å |
| 53 | I | 95.1 | Very high | 94.2 | Very high | 57 Ų | 57 | 73.6 Ų | 73.6 | 29% | 0.292 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65 | -47.9 | 176.5 | -57.8 | 167.7 | 0 | 0 | 0 | 109.9 | L31 Q49 Y50 H55 R56 N57 | L31-I53 HydrophobicContact CD1-CB 4.21Å; L31-I53 HydrophobicContact CD1-CG2 3.7Å; L31-I53 HydrophobicContact CD2-CB 4.26Å; L31-I53 HydrophobicContact CD2-CG2 4.2Å; Q49-I53 HydrophobicContact CG-CD1 4.46Å; Q49-I53 WeakPolarHBondContact O-CG1 3.4Å; Q49-I53 PolarHBondContact O-N 3.19Å; Y50-I53 HydrophobicContact CD1-CD1 4.42Å; Y50-I53 PolarHBondContact O-N 3.05Å; I53-H55 PolarHBondContact O-N 2.99Å; I53-R56 PolarHBondContact O-N 3.34Å; I53-N57 PolarHBondContact O-N 3.21Å |
| 54 | L | 96.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 69.9 Ų | 69.9 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 177.5 | 179.3 | 63.5 | 0 | 0 | 0 | 111.5 | N28 L31 I32 I35 Y50 Q51 R56 N57 L58 | N28-L54 HydrophobicContact CB-CD1 3.72Å; L31-L54 HydrophobicContact CB-CB 4.28Å; L31-L54 HydrophobicContact CB-CD1 4.29Å; L31-L54 HydrophobicContact CD1-CB 4.15Å; L31-L54 HydrophobicContact CD1-CD1 4.47Å; I32-L54 HydrophobicContact CD1-CD1 4.42Å; I32-L54 HydrophobicContact CG1-CD1 4.16Å; I32-L54 HydrophobicContact CG1-CD2 3.74Å; I35-L54 HydrophobicContact CD1-CB 4.34Å; I35-L54 HydrophobicContact CD1-CD2 3.75Å; Y50-L54 WeakPolarHBondContact O-CB 3.03Å; Y50-L54 PolarHBondContact O-N 3.3Å; Q51-L54 PolarHBondContact O-N 3.47Å; L54-R56 PolarHBondContact O-N 2.86Å; L54-N57 PolarHBondContact O-N 2.81Å; L54-L58 HydrophobicContact CD1-CD1 4.17Å; L54-L58 HydrophobicContact CD1-CG 4.27Å; L54-L58 HydrophobicContact CG-CD1 4.01Å; L54-L58 HydrophobicContact CG-CG 4.49Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 3.26Å |
| 55 | H | 96.3 | Very high | 93.9 | Very high | 116 Ų | 116 | 67.3 Ų | 67.3 | 54% | 0.537 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 177.6 | 179.3 | -101.3 | 0 | 0 | 0 | 111.8 | Q51 I53 N57 L58 V59 | Q51-H55 VanDerWaalsContact O-CB 3.31Å; Q51-H55 WeakPolarHBondContact O-CB 3.21Å; Q51-H55 PolarHBondContact O-N 2.97Å; I53-H55 PolarHBondContact O-N 2.99Å; H55-N57 VanDerWaalsContact C-N 3.34Å; H55-N57 PolarHBondContact O-N 3.21Å; H55-L58 PolarHBondContact O-N 3.23Å; H55-V59 WeakPolarHBondContact O-CG2 3.5Å; H55-V59 PolarHBondContact O-N 3.37Å |
| 56 | R | 96.4 | Very high | 93.4 | Very high | 190 Ų | 190 | 68.9 Ų | 68.9 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58 | -44.5 | 175.9 | 171.4 | 177.4 | 160.4 | 173.6 | -7 | 112 | Q52 I53 L54 Y60 | Q52-R56 WeakPolarHBondContact O-CB 3.27Å; Q52-R56 PolarHBondContact O-N 2.89Å; I53-R56 PolarHBondContact O-N 3.34Å; L54-R56 PolarHBondContact O-N 2.86Å; R56-Y60 WeakPolarHBondContact O-CB 3.41Å; R56-Y60 PolarHBondContact O-N 3.32Å |
| 57 | N | 94.5 | Very high | 92.7 | Very high | 14 Ų | 14 | 69.7 Ų | 69.7 | 8% | 0.075 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.3 | -40.9 | -180 | -70.9 | -3.3 | 0 | 0 | 0 | 111.7 | E27 N28 I53 L54 H55 Y60 L61 | E27-N57 PolarHBondContact OE1-ND2 2.89Å; N28-N57 WeakPolarHBondContact OD1-CB 3.29Å; N28-N57 PolarHBondContact OD1-ND2 3.3Å; I53-N57 PolarHBondContact O-N 3.21Å; L54-N57 PolarHBondContact O-N 2.81Å; H55-N57 VanDerWaalsContact C-N 3.34Å; H55-N57 PolarHBondContact O-N 3.21Å; N57-Y60 PolarHBondContact O-N 2.93Å; N57-L61 WeakPolarHBondContact O-CB 3.49Å; N57-L61 WeakPolarHBondContact O-CG 3.41Å; N57-L61 PolarHBondContact O-N 3.48Å |
| 58 | L | 95.9 | Very high | 91.5 | Very high | 92 Ų | 92 | 73.8 Ų | 73.8 | 48% | 0.482 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 175.7 | -70.2 | 172.1 | 0 | 0 | 0 | 112.3 | L54 H55 Y60 L61 A62 | L54-L58 HydrophobicContact CD1-CD1 4.17Å; L54-L58 HydrophobicContact CD1-CG 4.27Å; L54-L58 HydrophobicContact CG-CD1 4.01Å; L54-L58 HydrophobicContact CG-CG 4.49Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 3.26Å; H55-L58 PolarHBondContact O-N 3.23Å; L58-Y60 VanDerWaalsContact C-N 3.34Å; L58-Y60 PolarHBondContact O-N 2.89Å; L58-L61 PolarHBondContact O-N 2.94Å; L58-A62 WeakPolarHBondContact O-CB 3.4Å; L58-A62 PolarHBondContact O-N 2.94Å |
| 59 | V | 95.8 | Very high | 90.1 | Very high | 69 Ų | 69 | 77.6 Ų | 77.6 | 42% | 0.418 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | H55 A62 T63 | H55-V59 WeakPolarHBondContact O-CG2 3.5Å; H55-V59 PolarHBondContact O-N 3.37Å; V59-A62 PolarHBondContact O-N 3.27Å; V59-T63 WeakPolarHBondContact O-CB 3.34Å; V59-T63 PolarHBondContact O-N 3.41Å; V59-T63 PolarHBondContact O-OG1 3.48Å |
| 60 | Y | 94 | Very high | 88 | Confident | 103 Ų | 103 | 76.7 Ų | 76.7 | 40% | 0.404 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 176.6 | 179.2 | -119.4 | 0 | 0 | 0 | 111.9 | M24 R56 N57 L58 A62 T63 I64 | M24-Y60 HydrophobicContact CE-CD1 3.55Å; M24-Y60 HydrophobicContact CE-CE1 3.53Å; M24-Y60 HydrophobicContact SD-CD1 3.38Å; M24-Y60 WeakPolarHBondContact SD-CD1 3.31Å; M24-Y60 HydrophobicContact SD-CE1 3.5Å; M24-Y60 VanDerWaalsContact SD-CE1 3.5Å; R56-Y60 WeakPolarHBondContact O-CB 3.41Å; R56-Y60 PolarHBondContact O-N 3.32Å; N57-Y60 PolarHBondContact O-N 2.93Å; L58-Y60 VanDerWaalsContact C-N 3.34Å; L58-Y60 PolarHBondContact O-N 2.89Å; Y60-A62 PolarHBondContact O-N 3.02Å; Y60-T63 PolarHBondContact O-N 3.43Å; Y60-I64 HydrophobicContact CD1-CD1 3.67Å; Y60-I64 HydrophobicContact CD2-CD1 4.04Å; Y60-I64 HydrophobicContact CD2-CG1 4.37Å; Y60-I64 HydrophobicContact CE1-CD1 3.39Å; Y60-I64 HydrophobicContact CE2-CD1 3.76Å; Y60-I64 HydrophobicContact CE2-CG1 4.09Å; Y60-I64 HydrophobicContact CG-CD1 4Å; Y60-I64 VanDerWaalsContact CZ-CD1 3.42Å; Y60-I64 WeakPolarHBondContact O-CD1 3.33Å; Y60-I64 VanDerWaalsContact O-CG1 3.27Å; Y60-I64 WeakPolarHBondContact O-CG1 3.36Å; Y60-I64 PolarHBondContact O-N 2.89Å |
| 61 | L | 93.3 | Very high | 86 | Confident | 27 Ų | 27 | 80.8 Ų | 80.8 | 14% | 0.141 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 173.1 | -78.2 | 167.6 | 0 | 0 | 0 | 112.3 | I21 M24 L25 N28 N57 L58 I64 A65 | I21-L61 HydrophobicContact CB-CD2 4.47Å; I21-L61 HydrophobicContact CG2-CD2 3.83Å; M24-L61 HydrophobicContact CE-CD2 3.67Å; M24-L61 HydrophobicContact CE-CG 4.05Å; L25-L61 HydrophobicContact CD2-CD1 3.8Å; L25-L61 HydrophobicContact CG-CD1 4.46Å; N28-L61 WeakPolarHBondContact ND2-CD1 3.4Å; N57-L61 WeakPolarHBondContact O-CB 3.49Å; N57-L61 WeakPolarHBondContact O-CG 3.41Å; N57-L61 PolarHBondContact O-N 3.48Å; L58-L61 PolarHBondContact O-N 2.94Å; L61-I64 PolarHBondContact O-N 3.28Å; L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 2.97Å |
| 62 | A | 92.5 | Very high | 84 | Confident | 47 Ų | 47 | 83.9 Ų | 83.9 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L58 V59 Y60 I64 A65 D66 | L58-A62 WeakPolarHBondContact O-CB 3.4Å; L58-A62 PolarHBondContact O-N 2.94Å; V59-A62 PolarHBondContact O-N 3.27Å; Y60-A62 PolarHBondContact O-N 3.02Å; A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.46Å; A62-A65 WeakPolarHBondContact O-CB 3.38Å; A62-A65 PolarHBondContact O-N 3.27Å; A62-D66 PolarHBondContact O-N 3.22Å |
| 63 | T | 91.9 | Very high | 81.9 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 46% | 0.46 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.5 | -38.9 | 178.6 | -54.5 | 0 | 0 | 0 | 0 | 112.4 | V59 Y60 S67 | V59-T63 WeakPolarHBondContact O-CB 3.34Å; V59-T63 PolarHBondContact O-N 3.41Å; V59-T63 PolarHBondContact O-OG1 3.48Å; Y60-T63 PolarHBondContact O-N 3.43Å; T63-S67 WeakPolarHBondContact O-CB 3.46Å; T63-S67 PolarHBondContact O-N 3Å; T63-S67 PolarHBondContact O-OG 2.98Å |
| 64 | I | 89.3 | Confident | 79.9 | Confident | 14 Ų | 14 | 86.6 Ų | 86.6 | 7% | 0.072 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 175.4 | -66.6 | 157.7 | 0 | 0 | 0 | 111.6 | V16 I21 M24 Y60 L61 A62 S67 N68 | V16-I64 HydrophobicContact CB-CG2 4.23Å; V16-I64 HydrophobicContact CG1-CD1 3.62Å; V16-I64 HydrophobicContact CG1-CG1 4.11Å; V16-I64 HydrophobicContact CG1-CG2 3.81Å; V16-I64 HydrophobicContact CG2-CD1 4.43Å; V16-I64 HydrophobicContact CG2-CG1 4.28Å; I21-I64 HydrophobicContact CD1-CG2 4.26Å; M24-I64 HydrophobicContact CE-CD1 4.25Å; Y60-I64 HydrophobicContact CD1-CD1 3.67Å; Y60-I64 HydrophobicContact CD2-CD1 4.04Å; Y60-I64 HydrophobicContact CD2-CG1 4.37Å; Y60-I64 HydrophobicContact CE1-CD1 3.39Å; Y60-I64 HydrophobicContact CE2-CD1 3.76Å; Y60-I64 HydrophobicContact CE2-CG1 4.09Å; Y60-I64 HydrophobicContact CG-CD1 4Å; Y60-I64 VanDerWaalsContact CZ-CD1 3.42Å; Y60-I64 WeakPolarHBondContact O-CD1 3.33Å; Y60-I64 VanDerWaalsContact O-CG1 3.27Å; Y60-I64 WeakPolarHBondContact O-CG1 3.36Å; Y60-I64 PolarHBondContact O-N 2.89Å; L61-I64 PolarHBondContact O-N 3.28Å; A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.46Å; I64-S67 PolarHBondContact O-N 3.48Å; I64-N68 WeakPolarHBondContact O-CB 3.44Å; I64-N68 PolarHBondContact O-N 3.41Å; I64-N68 PolarHBondContact O-ND2 3.49Å |
| 65 | A | 84.4 | Confident | 77.6 | Confident | 51 Ų | 51 | 91.8 Ų | 91.8 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | L61 A62 S67 N68 Q69 | L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 2.97Å; A62-A65 WeakPolarHBondContact O-CB 3.38Å; A62-A65 PolarHBondContact O-N 3.27Å; A65-S67 VanDerWaalsContact C-N 3.34Å; A65-S67 PolarHBondContact O-N 3.23Å; A65-N68 WeakPolarHBondContact O-CB 3.43Å; A65-N68 PolarHBondContact O-N 3.35Å; A65-N68 VanDerWaalsContact O-N 3.15Å; A65-Q69 WeakPolarHBondContact O-CG 3.34Å; A65-Q69 PolarHBondContact O-N 3.39Å |
| 66 | D | 82.4 | Confident | 75.3 | Confident | 111 Ų | 111 | 91.8 Ų | 91.8 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 175.4 | -65.4 | -28.7 | 0 | 0 | 0 | 111.4 | A62 N68 Q69 N70 | A62-D66 PolarHBondContact O-N 3.22Å; D66-N68 VanDerWaalsContact C-N 3.33Å; D66-N68 PolarHBondContact O-N 3.3Å; D66-Q69 PolarHBondContact O-N 3.22Å; D66-N70 WeakPolarHBondContact O-CB 3.44Å; D66-N70 PolarHBondContact O-N 2.94Å |
| 67 | S | 78.6 | Confident | 72.9 | Confident | 69 Ų | 69 | 87 Ų | 87 | 48% | 0.483 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 175.2 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | T63 I64 A65 M71 | T63-S67 WeakPolarHBondContact O-CB 3.46Å; T63-S67 PolarHBondContact O-N 3Å; T63-S67 PolarHBondContact O-OG 2.98Å; I64-S67 PolarHBondContact O-N 3.48Å; A65-S67 VanDerWaalsContact C-N 3.34Å; A65-S67 PolarHBondContact O-N 3.23Å; S67-M71 PolarHBondContact O-N 3.46Å |
| 68 | N | 67.8 | Low | 70.9 | Confident | 93 Ų | 93 | 91.8 Ų | 91.8 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 174.4 | -102.5 | -94.2 | 0 | 0 | 0 | 112.2 | I64 A65 D66 | I64-N68 WeakPolarHBondContact O-CB 3.44Å; I64-N68 PolarHBondContact O-N 3.41Å; I64-N68 PolarHBondContact O-ND2 3.49Å; A65-N68 WeakPolarHBondContact O-CB 3.43Å; A65-N68 PolarHBondContact O-N 3.35Å; A65-N68 VanDerWaalsContact O-N 3.15Å; D66-N68 VanDerWaalsContact C-N 3.33Å; D66-N68 PolarHBondContact O-N 3.3Å |
| 69 | Q | 64.7 | Low | 68.8 | Low | 118 Ų | 118 | 93 Ų | 93 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.3 | -39.9 | 175.4 | -68.4 | -66.8 | -33.5 | 0 | 0 | 111.4 | A65 D66 M71 Q72 S73 | A65-Q69 WeakPolarHBondContact O-CG 3.34Å; A65-Q69 PolarHBondContact O-N 3.39Å; D66-Q69 PolarHBondContact O-N 3.22Å; Q69-M71 VanDerWaalsContact C-N 3.31Å; Q69-M71 PolarHBondContact O-N 3.45Å; Q69-Q72 PolarHBondContact O-N 2.82Å; Q69-S73 PolarHBondContact O-N 3.15Å |
| 70 | N | 51.8 | Low | 66.6 | Low | 101 Ų | 101 | 95 Ų | 95 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -38.7 | 179.1 | -159.9 | -81.5 | 0 | 0 | 0 | 112.6 | D66 Q72 S73 L74 | D66-N70 WeakPolarHBondContact O-CB 3.44Å; D66-N70 PolarHBondContact O-N 2.94Å; N70-Q72 VanDerWaalsContact C-N 3.28Å; N70-Q72 PolarHBondContact O-N 3.29Å; N70-S73 PolarHBondContact O-N 3.2Å; N70-L74 PolarHBondContact O-N 3.16Å |
| 71 | M | 52.7 | Low | 64.6 | Low | 144 Ų | 144 | 95.6 Ų | 95.6 | 71% | 0.709 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.2 | -28.2 | 174.1 | -76.3 | -76.8 | -68.9 | 0 | 0 | 113.7 | S67 Q69 | S67-M71 PolarHBondContact O-N 3.46Å; Q69-M71 VanDerWaalsContact C-N 3.31Å; Q69-M71 PolarHBondContact O-N 3.45Å |
| 72 | Q | 54.4 | Low | 62.3 | Low | 128 Ų | 128 | 101.4 Ų | 101.4 | 60% | 0.598 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -81.3 | -33.6 | 177.1 | -64.9 | -175.3 | 28.9 | 0 | 0 | 112.3 | Q69 N70 L74 | Q69-Q72 PolarHBondContact O-N 2.82Å; N70-Q72 VanDerWaalsContact C-N 3.28Å; N70-Q72 PolarHBondContact O-N 3.29Å; Q72-L74 VanDerWaalsContact C-N 3.26Å; Q72-L74 PolarHBondContact O-N 2.99Å |
| 73 | S | 51.9 | Low | 60.3 | Low | 107 Ų | 107 | 108.1 Ų | 108.1 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.4 | -11.4 | 176.1 | -75.9 | 0 | 0 | 0 | 0 | 114.9 | Q69 N70 | Q69-S73 PolarHBondContact O-N 3.15Å; N70-S73 PolarHBondContact O-N 3.2Å |
| 74 | L | 54 | Low | 58.4 | Low | 124 Ų | 124 | 109.7 Ų | 109.7 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 1.8 | 179.7 | -77.2 | 167.7 | 0 | 0 | 0 | 114.3 | N70 Q72 P76 | N70-L74 PolarHBondContact O-N 3.16Å; Q72-L74 VanDerWaalsContact C-N 3.26Å; Q72-L74 PolarHBondContact O-N 2.99Å; L74-P76 WeakPolarHBondContact O-CD 3.45Å |
| 75 | L | 46.8 | Very low | 56.5 | Low | 134 Ų | 134 | 117.9 Ų | 117.9 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -74 | 121.3 | 170 | -71.2 | 171.1 | 0 | 0 | 0 | 109.6 | A77 | L75-A77 PolarHBondContact O-N 3.15Š|
| 76 | P | 48.8 | Very low | 54.9 | Low | 117 Ų | 117 | 120.2 Ų | 120.2 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -61 | 138.7 | 168.1 | 27.1 | -32.9 | 0 | 0 | 0 | 108.9 | L74 | L74-P76 WeakPolarHBondContact O-CD 3.45Š|
| 77 | A | 46 | Very low | 53.4 | Low | 88 Ų | 88 | 121.2 Ų | 121.2 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 138.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111 | L75 | L75-A77 PolarHBondContact O-N 3.15Š|
| 78 | P | 51.3 | Low | 52 | Low | 115 Ų | 115 | 120.8 Ų | 120.8 | 75% | 0.747 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 137.7 | -178.9 | 24.7 | -34 | 0 | 0 | 0 | 109.7 | S80 | P78-S80 PolarHBondContact O-N 3.45Å; P78-S80 VanDerWaalsContact O-N 3.15Å |
| 79 | P | 52.8 | Low | 50.7 | Low | 117 Ų | 117 | 125.8 Ų | 125.8 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.8 | 177.6 | 25.1 | -33.1 | 0 | 0 | 0 | 108.9 | S81 | P79-S81 PolarHBondContact O-N 2.87Š|
| 80 | S | 49.1 | Very low | 49.8 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | trans | -63 | 105 | 175.8 | 37.1 | 0 | 0 | 0 | 0 | 109.4 | P78 N82 | P78-S80 PolarHBondContact O-N 3.45Å; P78-S80 VanDerWaalsContact O-N 3.15Å; S80-N82 PolarHBondContact O-N 3.04Å |
| 81 | S | 52.3 | Low | 49 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | -69.7 | 67.2 | 175.4 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | P79 M83 | P79-S81 PolarHBondContact O-N 2.87Å; S81-M83 VanDerWaalsContact C-N 3.32Å; S81-M83 PolarHBondContact O-N 2.97Å |
| 82 | N | 45 | Very low | 48.6 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | | | trans | -83.4 | 79.2 | 176.3 | -144 | 50.1 | 0 | 0 | 0 | 109.4 | S80 S84 | S80-N82 PolarHBondContact O-N 3.04Å; N82-S84 PolarHBondContact O-N 3.24Å |
| 83 | M | 51.3 | Low | 47.6 | Very low | 187 Ų | 187 | 128.8 Ų | 128.8 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | | | trans | -61.8 | 112.3 | 168.9 | -74.2 | -171.2 | 179.3 | 0 | 0 | 109.9 | S81 | S81-M83 VanDerWaalsContact C-N 3.32Å; S81-M83 PolarHBondContact O-N 2.97Å |
| 84 | S | 50.8 | Low | 46.7 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | -161.6 | 77.4 | 156.1 | -165.5 | 0 | 0 | 0 | 0 | 110.9 | N82 | N82-S84 PolarHBondContact O-N 3.24Š|
| 85 | M | 49.7 | Very low | 45.6 | Very low | 186 Ų | 186 | 125.6 Ų | 125.6 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | trans | -115.1 | 97.9 | 161.3 | -106.2 | -75.1 | -175.8 | 0 | 0 | 106.7 | P87 | M85-P87 VanDerWaalsContact O-CD 3.31Å; M85-P87 WeakPolarHBondContact O-CD 3.42Å |
| 86 | D | 51.4 | Low | 45.2 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 54% | 0.54 | 78% | 0.782 | S | S | . | * | | | trans | -77.1 | 112.1 | 179.8 | 169.2 | 39.8 | 0 | 0 | 0 | 110.6 | R89 | D86-R89 IonicContact OD1-NH1 2.69Å; D86-R89 IonicContact OD2-CZ 2.59Å; D86-R89 IonicContact OD2-NH1 3.57Å; D86-R89 PolarHBondContact OD2-NH1 3.38Å; D86-R89 IonicContact OD2-NH2 3.83Å |
| 87 | P | 51.3 | Low | 44.6 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -106.5 | 79.8 | -178.3 | 35.6 | -21.6 | 0 | 0 | 0 | 111 | M85 | M85-P87 VanDerWaalsContact O-CD 3.31Å; M85-P87 WeakPolarHBondContact O-CD 3.42Å |
| 88 | G | 47.2 | Very low | 45 | Very low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | | | trans | 144.6 | 112 | 157 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 89 | R | 41.6 | Very low | 44.1 | Very low | 199 Ų | 199 | 128.6 Ų | 128.6 | 75% | 0.751 | 79% | 0.786 | S | S | * | * | | | trans | -159.9 | 111.9 | 136.5 | 52.4 | -167.5 | 167.5 | -70.4 | -7.1 | 111.5 | D86 | D86-R89 IonicContact OD1-NH1 2.69Å; D86-R89 IonicContact OD2-CZ 2.59Å; D86-R89 IonicContact OD2-NH1 3.57Å; D86-R89 PolarHBondContact OD2-NH1 3.38Å; D86-R89 IonicContact OD2-NH2 3.83Å |
| 90 | M | 44.9 | Very low | 43.1 | Very low | 178 Ų | 178 | 131 Ų | 131 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | -75.7 | 135.7 | 156 | -63.7 | 148.5 | 67.3 | 0 | 0 | 107.9 | | |
| 91 | S | 36.6 | Very low | 42.9 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | trans | 158.3 | 134.9 | 144.7 | -89.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 92 | H | 42.3 | Very low | 42.1 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | | | trans | 57 | 141.5 | 137.2 | -63.6 | 80.9 | 0 | 0 | 0 | 119.4 | | |
| 93 | S | 35.4 | Very low | 41.8 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | cis | 165 | 136.7 | -15.2 | 48.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 94 | G | 32.1 | Very low | 41 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 92% | 0.918 | 78% | 0.782 | S | S | * | * | | | trans | 104.9 | 144.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 95 | G | 30.7 | Very low | 40.5 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | 123.8 | 102.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 96 | H | 38.9 | Very low | 40.1 | Very low | 193 Ų | 193 | 128 Ų | 128 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | | | trans | -96.5 | 144.3 | 178.5 | -50.9 | -96.1 | 0 | 0 | 0 | 112.2 | | |
| 97 | A | 36.7 | Very low | 39.4 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | | -179.6 | 139.3 | 127.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 98 | P | 52.9 | Low | 38.6 | Very low | 121 Ų | 121 | 127 Ų | 127 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -105.4 | -179.2 | 178.4 | 40.4 | -34.4 | 0 | 0 | 0 | 113.8 | | |
| 99 | S | 32.9 | Very low | 38.4 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | trans | 101.6 | 96.8 | 160.7 | -50.6 | 0 | 0 | 0 | 0 | 118 | | |
| 100 | N | 31.8 | Very low | 38.5 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | | | | -149.1 | 139.9 | 109.7 | -122 | -82 | 0 | 0 | 0 | 111.8 | | |
| 101 | L | 44.3 | Very low | 38.6 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | -95.2 | 128.3 | 179.6 | -72.4 | 151.8 | 0 | 0 | 0 | 108.8 | | |
| 102 | N | 35.6 | Very low | 38.9 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | trans | -154 | 97.7 | 147.6 | -164.6 | 38.6 | 0 | 0 | 0 | 110.6 | | |
| 103 | D | 39.3 | Very low | 39 | Very low | 136 Ų | 136 | 122.6 Ų | 122.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -71.9 | 132.4 | 170.4 | -73.4 | -82.5 | 0 | 0 | 0 | 111.3 | | |
| 104 | S | 34.1 | Very low | 39.6 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | -163.1 | 98.3 | 144.4 | -86.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 105 | I | 41.8 | Very low | 40.2 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | | | trans | 50.6 | 121.2 | 139 | -48.3 | -60.1 | 0 | 0 | 0 | 119 | | |
| 106 | G | 39.3 | Very low | 40.6 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | 151.8 | 87.1 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 107 | S | 37.2 | Very low | 40.8 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | | | trans | -52.2 | 150.1 | 169.5 | -49.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 108 | G | 35.4 | Very low | 40.9 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | | | trans | 173.4 | 109.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 109 | V | 41.6 | Very low | 40.3 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -99.6 | 153.5 | 176 | -72.4 | 0 | 0 | 0 | 0 | 112 | | |
| 110 | T | 45.2 | Very low | 40.8 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | 58.8 | 133.2 | 160.8 | 55.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 111 | P | 47.2 | Very low | 41 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -95.9 | 112.3 | 146.2 | 32.8 | -25.2 | 0 | 0 | 0 | 110.6 | | |
| 112 | T | 41.7 | Very low | 40.6 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | | | trans | -79.6 | 136.2 | 173.8 | -62.1 | 0 | 0 | 0 | 0 | 111 | | |
| 113 | S | 44.3 | Very low | 41 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -76.1 | 131.6 | 173.6 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 114 | M | 49.5 | Very low | 40.7 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -165.3 | 107.8 | 152.3 | 42.2 | -167.8 | -172.7 | 0 | 0 | 113.7 | | |
| 115 | M | 43.1 | Very low | 41 | Very low | 190 Ų | 190 | 133.7 Ų | 133.7 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | | | trans | -154.1 | 116.2 | 138.1 | -161.4 | 104.5 | 91.4 | 0 | 0 | 109.6 | | |
| 116 | Q | 40.7 | Very low | 40.9 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -102.6 | 131.6 | 176.8 | 172.5 | 89.7 | 78.6 | 0 | 0 | 108.8 | | |
| 117 | S | 43 | Very low | 41.4 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 55% | 0.545 | 79% | 0.788 | S | S | . | * | | | trans | 18.9 | 129 | 158.1 | -48 | 0 | 0 | 0 | 0 | 120.4 | | |
| 118 | Q | 37.9 | Very low | 41.6 | Very low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | | -177.2 | 134.3 | 112.7 | -97.4 | 157.8 | 107.6 | 0 | 0 | 115.1 | | |
| 119 | M | 40.7 | Very low | 41.9 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | | | trans | 55 | 113.6 | 139.9 | -57.9 | 176.1 | -171 | 0 | 0 | 121.5 | | |
| 120 | S | 42.3 | Very low | 41.6 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | | 31.6 | 115.1 | 121.2 | -45.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 121 | N | 36.2 | Very low | 41.2 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | | -179.8 | 148 | 117.9 | -91.5 | -24.3 | 0 | 0 | 0 | 113.3 | | |
| 122 | D | 35.9 | Very low | 40.6 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 65% | 0.647 | 78% | 0.784 | S | S | * | * | | | trans | 48.5 | 117.5 | 149.4 | -138.4 | -84.2 | 0 | 0 | 0 | 122.2 | S124 | D122-S124 WeakPolarHBondContact OD1-CB 3.49Å; D122-S124 PolarHBondContact OD1-N 3.26Å; D122-S124 PolarHBondContact OD1-OG 2.98Å |
| 123 | P | 43.8 | Very low | 40.2 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -97.2 | 82.9 | 164 | 35.9 | -28.4 | 0 | 0 | 0 | 112 | | |
| 124 | S | 33.1 | Very low | 39.7 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | | | trans | -94.2 | 109.1 | 175.5 | -84.7 | 0 | 0 | 0 | 0 | 113.7 | D122 | D122-S124 WeakPolarHBondContact OD1-CB 3.49Å; D122-S124 PolarHBondContact OD1-N 3.26Å; D122-S124 PolarHBondContact OD1-OG 2.98Å |
| 125 | H | 42 | Very low | 38.8 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | | | trans | 61.2 | 123.1 | 153 | -65.6 | -81.3 | 0 | 0 | 0 | 122.3 | | |
| 126 | A | 39.4 | Very low | 38.2 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -128.2 | 140.5 | 146.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 127 | P | 50 | Low | 38 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -103.3 | 134.4 | -170.5 | 36.2 | -31.4 | 0 | 0 | 0 | 114.1 | | |
| 128 | M | 39.8 | Very low | 38 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -138.6 | 92.1 | 163.8 | -73.2 | -125.9 | 79.3 | 0 | 0 | 113 | | |
| 129 | Q | 42.1 | Very low | 37.7 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | | 37.4 | 90.7 | 125.7 | -164.4 | 178 | 18.8 | 0 | 0 | 120.2 | | |
| 130 | S | 36.6 | Very low | 37.4 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | | | trans | 178.4 | 150.4 | 136.5 | 52.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 131 | G | 35.4 | Very low | 36.8 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | cis | 149 | 82 | 6.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 132 | H | 35.4 | Very low | 36.7 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | 83.2 | 135.2 | 156.9 | -108.9 | 56 | 0 | 0 | 0 | 121.8 | | |
| 133 | M | 32.8 | Very low | 36.5 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 69% | 0.69 | 80% | 0.799 | S | S | * | * | | | trans | 88.5 | 104.2 | 149.4 | -55.5 | -53.6 | -91.4 | 0 | 0 | 124.3 | | |
| 134 | Q | 33.2 | Very low | 35.9 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | | 82.8 | 133.3 | 117.5 | -139.7 | 74.2 | 24.1 | 0 | 0 | 123.9 | | |
| 135 | S | 32.5 | Very low | 35.7 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | 66.7 | 112 | 163.2 | -72.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 136 | A | 29.8 | Very low | 35.4 | Very low | 95 Ų | 95 | 135 Ų | 135 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | | 83.5 | 102.9 | 51.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 137 | I | 36.1 | Very low | 35.1 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | -118.7 | 127.4 | 170.5 | 36.1 | 167.6 | 0 | 0 | 0 | 108.8 | | |
| 138 | P | 42.6 | Very low | 34.3 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | -95.9 | 122.6 | 171.5 | 33 | -28.1 | 0 | 0 | 0 | 111.6 | | |
| 139 | S | 32.6 | Very low | 33.9 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -72.1 | 145.7 | 157.3 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 140 | T | 33.3 | Very low | 33.4 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | | | trans | -125.8 | 130.6 | 165.6 | 47.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 141 | S | 30.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -80.3 | 160.5 | -178.4 | -65.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 142 | I | 33.9 | Very low | 33 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | | | trans | -55.9 | 138.6 | 168.6 | -62.6 | 167.4 | 0 | 0 | 0 | 111.2 | | |
| 143 | Y | 30.9 | Very low | 32.6 | Very low | 227 Ų | 227 | 134.3 Ų | 134.3 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | trans | -128.8 | 129.4 | 154.6 | -97.5 | -86.4 | 0 | 0 | 0 | 109.8 | | |
| 144 | S | 31.9 | Very low | 33 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | -91.4 | 137.7 | 173 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 145 | S | 29.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | | | trans | -154.7 | 147.6 | 154.1 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 146 | S | 34.7 | Very low | 33.3 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | | | trans | -97.7 | 147 | -167 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 147 | A | 32.6 | Very low | 33.8 | Very low | 105 Ų | 105 | 134 Ų | 134 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | | | trans | -156.6 | 139.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 148 | S | 34.3 | Very low | 33.8 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | | | trans | -86.5 | 162.2 | -179.4 | -47.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 149 | G | 31.2 | Very low | 33.4 | Very low | 62 Ų | 62 | 132 Ų | 132 | 64% | 0.639 | 82% | 0.821 | S | S | * | * | | | trans | 161.3 | 104.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 150 | Y | 31.6 | Very low | 33.5 | Very low | 225 Ų | 225 | 131 Ų | 131 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | | | trans | 51.8 | 114.7 | 141 | -64.5 | -79.4 | 0 | 0 | 0 | 123.9 | | |
| 151 | S | 30.5 | Very low | 33.7 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | | | | 54.4 | 113.1 | 121.3 | -55.2 | 0 | 0 | 0 | 0 | 124 | | |
| 152 | Q | 32.6 | Very low | 33.9 | Very low | 198 Ų | 198 | 130.9 Ų | 130.9 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | | 47.6 | 118.5 | 117.7 | -165.7 | -170.2 | 103.7 | 0 | 0 | 120.9 | | |
| 153 | A | 27.6 | Very low | 33.8 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | | | trans | -163.8 | 140.5 | 135.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 154 | T | 40.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 125 Ų | 125 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | trans | -80.1 | 171.6 | 163.2 | 50.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 155 | P | 40.7 | Very low | 34.7 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | | -136.3 | 148 | 110.8 | 36.3 | -27.1 | 0 | 0 | 0 | 114.3 | | |
| 156 | S | 31.8 | Very low | 35.2 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | -132.6 | 124.4 | 163.8 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 157 | S | 39.8 | Very low | 35.3 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | 174.1 | 159.3 | 164.5 | -80.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 158 | Q | 36.2 | Very low | 35.3 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | cis | -174.3 | 123.7 | -33.5 | -177.4 | 173.9 | 17 | 0 | 0 | 108.5 | | |
| 159 | G | 34.1 | Very low | 35.5 | Very low | 69 Ų | 69 | 133.7 Ų | 133.7 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | 75.4 | 172.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 160 | S | 35.4 | Very low | 35.6 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | cis | -171.8 | 168 | -12.5 | -83.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 161 | L | 36.8 | Very low | 35.8 | Very low | 172 Ų | 172 | 128.8 Ų | 128.8 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | | | trans | 74.8 | 140.4 | 159.8 | -44.4 | -174.1 | 0 | 0 | 0 | 117 | | |
| 162 | A | 36.7 | Very low | 35.9 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | | | cis | -160.9 | -173.1 | -15.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 163 | Q | 31.3 | Very low | 36 | Very low | 192 Ų | 192 | 124.4 Ų | 124.4 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | cis | -152.4 | -159.9 | 6.5 | -160.5 | 135.8 | -55.4 | 0 | 0 | 110.1 | | |
| 164 | G | 31.8 | Very low | 36.4 | Very low | 62 Ų | 62 | 125.2 Ų | 125.2 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | | | trans | -122.6 | -148.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 165 | P | 49.5 | Very low | 36.1 | Very low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | cis | -145.3 | 146.7 | 7.7 | 40.8 | -20.5 | 0 | 0 | 0 | 119.6 | | |
| 166 | R | 39.1 | Very low | 36 | Very low | 244 Ų | 244 | 124 Ų | 124 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | | 46.8 | 128.3 | 127.7 | -174.2 | -178.5 | 178.6 | -138.8 | -1 | 123.3 | | |
| 167 | A | 36.7 | Very low | 36.2 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | | -173.8 | 131.8 | 122.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 168 | G | 34.6 | Very low | 36.2 | Very low | 74 Ų | 74 | 125.2 Ų | 125.2 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | 70.8 | -179.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 169 | Y | 37.1 | Very low | 36.9 | Very low | 238 Ų | 238 | 122.7 Ų | 122.7 | 93% | 0.933 | 79% | 0.791 | S | S | * | * | | | cis | -163.5 | 163.8 | -42.1 | 69.2 | -99.5 | 0 | 0 | 0 | 108.9 | | |
| 170 | G | 32.7 | Very low | 37.1 | Very low | 60 Ų | 60 | 124.6 Ų | 124.6 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | | | cis | 163.5 | 129.2 | -11.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 171 | S | 36 | Very low | 37.1 | Very low | 124 Ų | 124 | 125 Ų | 125 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | 65.9 | 156.2 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 172 | S | 33.8 | Very low | 37.3 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | | | cis | -169 | 160.7 | -23.8 | -90.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 173 | S | 33.3 | Very low | 37.1 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | 63.4 | 113.8 | 150.9 | 54.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 174 | S | 37.5 | Very low | 37.3 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | | 45.7 | 123.9 | 116.6 | -41.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 175 | S | 33.4 | Very low | 38.3 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | | | | 179 | 158.6 | 116.1 | 42.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 176 | S | 38.5 | Very low | 37.5 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -78.8 | 156.4 | 177.2 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 177 | S | 35 | Very low | 37.4 | Very low | 119 Ų | 119 | 115.7 Ų | 115.7 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | 178.9 | 139.7 | 130.9 | -78.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 178 | T | 40.7 | Very low | 37.2 | Very low | 134 Ų | 134 | 118.2 Ų | 118.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -86.7 | 161.9 | 154.3 | 47.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 179 | P | 50.1 | Low | 37.5 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | | -147.6 | 179.7 | 106 | 37.7 | -20.8 | 0 | 0 | 0 | 115 | | |
| 180 | S | 38.3 | Very low | 37.5 | Very low | 108 Ų | 108 | 117.3 Ų | 117.3 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -96.3 | 177.1 | -169.5 | -48 | 0 | 0 | 0 | 0 | 115.1 | | |
| 181 | S | 36 | Very low | 37.9 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | 106.1 | 109.6 | 144.4 | 71 | 0 | 0 | 0 | 0 | 121.4 | | |
| 182 | S | 40.4 | Very low | 37.8 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | 46.1 | 117 | 135.7 | 60.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 183 | S | 32.5 | Very low | 37.8 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | | -171 | 135.3 | 125.5 | 38.5 | 0 | 0 | 0 | 0 | 113 | | |
| 184 | S | 37.4 | Very low | 37.7 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -115.6 | 177.8 | 161.8 | -52.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 185 | P | 51.5 | Low | 37.5 | Very low | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | cis | -128.2 | -179.5 | -7.9 | 40.9 | -25.8 | 0 | 0 | 0 | 113.1 | | |
| 186 | G | 33.9 | Very low | 37.7 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | 167.2 | 77.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 187 | S | 35.6 | Very low | 37.7 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -148.9 | 109.2 | 154.2 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 188 | N | 32.7 | Very low | 38.1 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | trans | -93.2 | 115.2 | 171.7 | -161.5 | -63 | 0 | 0 | 0 | 108.2 | | |
| 189 | L | 41.2 | Very low | 38.3 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | trans | -125.4 | 86.3 | 171.5 | -78.2 | 177.4 | 0 | 0 | 0 | 110 | V191 | L189-V191 PolarHBondContact O-N 2.92Š|
| 190 | N | 37.3 | Very low | 38 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | trans | -69.6 | 103.3 | 162.9 | 172.4 | 15.4 | 0 | 0 | 0 | 110 | | |
| 191 | V | 40.3 | Very low | 37.9 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | | | trans | -139 | 78.8 | 160.7 | -77.8 | 0 | 0 | 0 | 0 | 111 | L189 L193 | L189-V191 PolarHBondContact O-N 2.92Å; V191-L193 PolarHBondContact O-N 3.43Å |
| 192 | Q | 35.1 | Very low | 37.9 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 28.3 | 89.2 | 141.7 | -163.6 | 166.3 | 14.8 | 0 | 0 | 117.4 | S194 | Q192-S194 PolarHBondContact O-N 3.47Š|
| 193 | L | 32.9 | Very low | 37.4 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -65 | 112.1 | 163 | -107.7 | 89 | 0 | 0 | 0 | 109.9 | V191 Q195 | V191-L193 PolarHBondContact O-N 3.43Å; L193-Q195 PolarHBondContact O-N 2.93Å |
| 194 | S | 31 | Very low | 37.3 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -76.2 | 112.3 | 161.5 | -70.9 | 0 | 0 | 0 | 0 | 109.4 | Q192 V196 | Q192-S194 PolarHBondContact O-N 3.47Å; S194-V196 PolarHBondContact O-N 3.44Å |
| 195 | Q | 33.6 | Very low | 37.5 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -60.5 | 129.6 | 164.4 | -68.6 | 175.2 | 4 | 0 | 0 | 109.4 | L193 | L193-Q195 PolarHBondContact O-N 2.93Š|
| 196 | V | 38.2 | Very low | 36.6 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | trans | -102.2 | 108.7 | 155.3 | 178 | 0 | 0 | 0 | 0 | 106.7 | S194 | S194-V196 PolarHBondContact O-N 3.44Š|
| 197 | A | 37.5 | Very low | 36.5 | Very low | 80 Ų | 80 | 143 Ų | 143 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 153.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M199 | A197-M199 PolarHBondContact O-N 2.99Š|
| 198 | M | 43.5 | Very low | 36.1 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 94% | 0.941 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.4 | 177.7 | -62.2 | -178.4 | -76 | 0 | 0 | 111.3 | | |
| 199 | M | 45.5 | Very low | 35.8 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -97 | 118.1 | 165.9 | -85.7 | -72.7 | -81 | 0 | 0 | 110.5 | A197 | A197-M199 PolarHBondContact O-N 2.99Š|
| 200 | H | 44.3 | Very low | 35.2 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89 | 132.8 | -179.1 | 163.3 | 113.5 | 0 | 0 | 0 | 111.3 | Q202 | H200-Q202 PolarHBondContact NE2-NE2 2.74Å; H200-Q202 VanDerWaalsContact NE2-NE2 3.17Å |
| 201 | Q | 36.3 | Very low | 34.8 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -178.8 | 114.6 | 144.4 | -104.4 | -168.1 | 78.3 | 0 | 0 | 108.8 | | |
| 202 | Q | 35 | Very low | 34.6 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 65% | 0.654 | 80% | 0.8 | S | S | * | * | | | | 86.6 | 104.9 | 80.6 | -78.1 | -171.8 | 31.4 | 0 | 0 | 115.3 | H200 | H200-Q202 PolarHBondContact NE2-NE2 2.74Å; H200-Q202 VanDerWaalsContact NE2-NE2 3.17Å |
| 203 | S | 29.8 | Very low | 34.3 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | 19.8 | 124.9 | 142.7 | -49.4 | 0 | 0 | 0 | 0 | 121 | | |
| 204 | A | 30.9 | Very low | 34.2 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -104.3 | 134.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 205 | P | 41.3 | Very low | 34.4 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | trans | -87.4 | 150.2 | 178.7 | 34.1 | -34.1 | 0 | 0 | 0 | 112.9 | | |
| 206 | S | 33.3 | Very low | 34.3 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -66.4 | 138.2 | 167.6 | -48.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 207 | Q | 30.4 | Very low | 34.1 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -136 | 139.7 | 166.4 | -77.1 | -67.7 | 9.5 | 0 | 0 | 111.8 | | |
| 208 | H | 28.1 | Very low | 34 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | | | trans | -61.9 | 160 | 174.6 | -89 | -117.9 | 0 | 0 | 0 | 112.2 | | |
| 209 | S | 25.7 | Very low | 33.6 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | -145.4 | 134.7 | 151.8 | -78.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 210 | S | 28.7 | Very low | 33.4 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -128.1 | 121 | -171.1 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 211 | V | 29.8 | Very low | 33.3 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 65% | 0.648 | 79% | 0.788 | S | S | * | * | | | trans | 44.3 | 143.5 | 151.8 | -153.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 212 | H | 35.7 | Very low | 33.3 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | 85.1 | 154 | 164.6 | -46.7 | 100.6 | 0 | 0 | 0 | 117.2 | | |
| 213 | S | 29.3 | Very low | 33.5 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | cis | -172 | 155.4 | -33 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 214 | A | 30.7 | Very low | 33.9 | Very low | 103 Ų | 103 | 134 Ų | 134 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | 63.9 | 131.4 | 160 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 215 | G | 34.8 | Very low | 34.3 | Very low | 61 Ų | 61 | 138 Ų | 138 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | | | trans | -175.8 | 153.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 216 | Q | 32.2 | Very low | 34.4 | Very low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -150.5 | 126.7 | -169.5 | -68.5 | -68.9 | -77.6 | 0 | 0 | 113.7 | | |
| 217 | Y | 34 | Very low | 34.7 | Very low | 203 Ų | 203 | 139.6 Ų | 139.6 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | trans | 36.5 | 148 | 145.5 | -62.5 | -92 | 0 | 0 | 0 | 126 | | |
| 218 | Q | 34.2 | Very low | 35.1 | Very low | 201 Ų | 201 | 140 Ų | 140 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | | | trans | 110.6 | 130.6 | 131.9 | -157.1 | 158.3 | -29.8 | 0 | 0 | 119.9 | | |
| 219 | G | 34.8 | Very low | 35.4 | Very low | 74 Ų | 74 | 136.3 Ų | 136.3 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | | | trans | 143.8 | 141.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 220 | Q | 43.3 | Very low | 36.1 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -157.4 | 157.5 | -165.8 | -158 | -168.7 | 54.2 | 0 | 0 | 113.5 | | |
| 221 | Q | 40.9 | Very low | 36.5 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | | | trans | 98.9 | 135.9 | 152.8 | -48.8 | -167 | 23.8 | 0 | 0 | 123.5 | | |
| 222 | A | 35.7 | Very low | 36.7 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | | | trans | 95.5 | 98.6 | 134.1 | 0 | 0 | 0 | 0 | 0 | 125.1 | | |
| 223 | M | 39.3 | Very low | 37 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 93% | 0.931 | 81% | 0.806 | S | S | * | * | | | | 88.3 | 126 | 108.1 | -158.2 | 162.2 | -132.9 | 0 | 0 | 124.7 | | |
| 224 | G | 38 | Very low | 37.8 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | 90.1 | 154.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 225 | M | 41.1 | Very low | 38.3 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | | | cis | -159.4 | 150.2 | -16.1 | -89.2 | -169 | -179 | 0 | 0 | 110.5 | | |
| 226 | M | 42.7 | Very low | 39 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | | | trans | 24.9 | 120.5 | 146.1 | -168.3 | -178.3 | -62.2 | 0 | 0 | 123.3 | | |
| 227 | A | 38.4 | Very low | 39.6 | Very low | 94 Ų | 94 | 144 Ų | 144 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | | | trans | -176.6 | 117.3 | 136.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 228 | Q | 39.7 | Very low | 39.9 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | | | | 78.4 | 123.7 | 56.3 | -164.3 | 176.4 | 20.1 | 0 | 0 | 114.7 | | |
| 229 | A | 35 | Very low | 40.1 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | 67.5 | 157 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 230 | S | 39.2 | Very low | 40.4 | Very low | 99 Ų | 99 | 147 Ų | 147 | 69% | 0.692 | 83% | 0.826 | S | S | * | * | | | cis | -173.3 | 160 | -27.2 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 231 | Q | 37 | Very low | 40.2 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | | | trans | 68.9 | 143.6 | 175.9 | -39.6 | -178.9 | 34.5 | 0 | 0 | 114.8 | | |
| 232 | G | 35.2 | Very low | 39.9 | Very low | 74 Ų | 74 | 140.6 Ų | 140.6 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | cis | 178.9 | 128.5 | -9.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 233 | N | 41.3 | Very low | 39.8 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | trans | 52.9 | 153.6 | 165 | -95.6 | 14 | 0 | 0 | 0 | 123.6 | | |
| 234 | S | 46.7 | Very low | 39.4 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 75.6 | 64.1 | 162.3 | -61.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 235 | M | 40.4 | Very low | 39.1 | Very low | 183 Ų | 183 | 150 Ų | 150 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | | | trans | -136.3 | 118 | 150.5 | -45.8 | -170.3 | -162.7 | 0 | 0 | 109.4 | | |
| 236 | M | 49.6 | Very low | 38.5 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | | | trans | -66 | 139.9 | 166.7 | -67.1 | -167.2 | -168.8 | 0 | 0 | 108.7 | Q238 | M236-Q238 PolarHBondContact O-N 3.08Š|
| 237 | P | 45.1 | Very low | 38.3 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | -68.9 | 101.1 | 173.8 | 27.9 | -32.6 | 0 | 0 | 0 | 109.6 | R239 | P237-R239 PolarHBondContact O-N 2.82Š|
| 238 | Q | 41 | Very low | 38.5 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | | | trans | -57.5 | 111.8 | 160.8 | -86 | -173.6 | -10.5 | 0 | 0 | 107.7 | M236 | M236-Q238 PolarHBondContact O-N 3.08Š|
| 239 | R | 38.6 | Very low | 38.4 | Very low | 223 Ų | 223 | 142.8 Ų | 142.8 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | -63.1 | 134.1 | 171.1 | -62.5 | -170.2 | -68.9 | -115.8 | 4.2 | 107.8 | P237 M241 | P237-R239 PolarHBondContact O-N 2.82Å; R239-M241 PolarHBondContact O-N 3.29Å; R239-M241 VanDerWaalsContact O-N 3.14Å |
| 240 | P | 39.5 | Very low | 38.4 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | trans | -55.8 | 123.2 | 175.6 | -24.1 | 33.5 | 0 | 0 | 0 | 109.9 | G242 | P240-G242 VanDerWaalsContact C-N 3.27Å; P240-G242 PolarHBondContact O-N 2.9Å |
| 241 | M | 39.3 | Very low | 38.7 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -66.5 | 92.3 | 166.9 | -81 | -75.1 | -71.6 | 0 | 0 | 107.6 | R239 Y244 | R239-M241 PolarHBondContact O-N 3.29Å; R239-M241 VanDerWaalsContact O-N 3.14Å; M241-Y244 HydrophobicContact CE-CD2 4.09Å; M241-Y244 HydrophobicContact CE-CE2 3.85Å; M241-Y244 HydrophobicContact SD-CE2 4.03Å |
| 242 | G | 34.9 | Very low | 39.4 | Very low | 50 Ų | 50 | 140 Ų | 140 | 52% | 0.515 | 74% | 0.74 | S | S | . | * | | | trans | -57.7 | 141.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | P240 Y244 | P240-G242 VanDerWaalsContact C-N 3.27Å; P240-G242 PolarHBondContact O-N 2.9Å; G242-Y244 WeakPolarHBondContact O-CD2 3.37Å; G242-Y244 PolarHBondContact O-N 3.35Å |
| 243 | S | 33.6 | Very low | 39.9 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | | | trans | -55.8 | 107.6 | 175.9 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | R245 | S243-R245 PolarHBondContact O-N 3.33Š|
| 244 | Y | 30.4 | Very low | 40.1 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | | | trans | -69.9 | 69.3 | 169.1 | -72.7 | -83.1 | 0 | 0 | 0 | 110.1 | M241 G242 C246 | M241-Y244 HydrophobicContact CE-CD2 4.09Å; M241-Y244 HydrophobicContact CE-CE2 3.85Å; M241-Y244 HydrophobicContact SD-CE2 4.03Å; G242-Y244 WeakPolarHBondContact O-CD2 3.37Å; G242-Y244 PolarHBondContact O-N 3.35Å; Y244-C246 VanDerWaalsContact C-N 3.28Å; Y244-C246 PolarHBondContact O-N 3.4Å; Y244-C246 VanDerWaalsContact O-N 3.14Å |
| 245 | R | 32.9 | Very low | 39.8 | Very low | 222 Ų | 222 | 137.2 Ų | 137.2 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | | | trans | -78.6 | 88.2 | 157.6 | -159.2 | -163.9 | -159.2 | -71.8 | 1.2 | 106.7 | S243 S247 | S243-R245 PolarHBondContact O-N 3.33Å; R245-S247 PolarHBondContact O-N 3.35Å |
| 246 | C | 28.8 | Very low | 40.4 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | | | trans | -55.6 | 125.2 | 170.6 | -177.6 | 0 | 0 | 0 | 0 | 109 | Y244 Q248 | Y244-C246 VanDerWaalsContact C-N 3.28Å; Y244-C246 PolarHBondContact O-N 3.4Å; Y244-C246 VanDerWaalsContact O-N 3.14Å; C246-Q248 PolarHBondContact O-N 3.19Å |
| 247 | S | 37.8 | Very low | 40.4 | Very low | 60 Ų | 60 | 131.1 Ų | 131.1 | 42% | 0.42 | 66% | 0.662 | S | S | . | * | | | trans | -72.6 | 80.7 | 168.3 | 41.9 | 0 | 0 | 0 | 0 | 108.9 | R245 Q249 E250 | R245-S247 PolarHBondContact O-N 3.35Å; S247-Q249 PolarHBondContact O-N 3.05Å; S247-E250 WeakPolarHBondContact CB-OE2 3.27Å; S247-E250 PolarHBondContact O-N 3.34Å; S247-E250 VanDerWaalsContact O-N 3.11Å; S247-E250 PolarHBondContact OG-OE2 3.45Å |
| 248 | Q | 42.4 | Very low | 40.5 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -15.1 | 178.9 | -171.7 | 175.7 | 75.7 | 0 | 0 | 113.7 | C246 | C246-Q248 PolarHBondContact O-N 3.19Š|
| 249 | Q | 38.8 | Very low | 40.9 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -38.4 | 179.8 | -155.6 | 160.7 | 14.4 | 0 | 0 | 113.4 | S247 V252 Q253 | S247-Q249 PolarHBondContact O-N 3.05Å; Q249-V252 PolarHBondContact O-N 3.38Å; Q249-Q253 PolarHBondContact O-OE1 3.35Å |
| 250 | E | 33.7 | Very low | 41.4 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 60% | 0.603 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.3 | -32.3 | -179.1 | -79.3 | 167.4 | 106.3 | 0 | 0 | 112.9 | S247 V252 Q253 H254 | S247-E250 WeakPolarHBondContact CB-OE2 3.27Å; S247-E250 PolarHBondContact O-N 3.34Å; S247-E250 VanDerWaalsContact O-N 3.11Å; S247-E250 PolarHBondContact OG-OE2 3.45Å; E250-V252 PolarHBondContact O-N 3.06Å; E250-Q253 PolarHBondContact O-N 2.95Å; E250-H254 PolarHBondContact O-N 3.3Å |
| 251 | F | 45.9 | Very low | 41.6 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 55% | 0.548 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.9 | -32.1 | 176.1 | -172.7 | -103.1 | 0 | 0 | 0 | 112.2 | C255 | F251-C255 WeakPolarHBondContact O-CB 3.47Å; F251-C255 PolarHBondContact O-N 2.91Å |
| 252 | V | 52.4 | Low | 41.8 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 47% | 0.473 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.8 | -39.3 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | Q249 E250 M256 | Q249-V252 PolarHBondContact O-N 3.38Å; E250-V252 PolarHBondContact O-N 3.06Å; V252-M256 HydrophobicContact CG1-CE 4.08Å; V252-M256 PolarHBondContact O-N 3.2Å |
| 253 | Q | 44.5 | Very low | 42.5 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 48% | 0.481 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60.9 | -54.1 | 170.7 | -98 | 70.5 | 88.5 | 0 | 0 | 110.7 | Q249 E250 C255 M256 E257 | Q249-Q253 PolarHBondContact O-OE1 3.35Å; E250-Q253 PolarHBondContact O-N 2.95Å; Q253-C255 PolarHBondContact O-N 3.34Å; Q253-M256 PolarHBondContact O-N 3.22Å; Q253-E257 PolarHBondContact O-N 2.71Å |
| 254 | H | 45.2 | Very low | 43 | Very low | 138 Ų | 138 | 131 Ų | 131 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.4 | -23.7 | -172.7 | -144.5 | -60.7 | 0 | 0 | 0 | 113.5 | E250 Q258 | E250-H254 PolarHBondContact O-N 3.3Å; H254-Q258 WeakPolarHBondContact O-CB 3.45Å; H254-Q258 PolarHBondContact O-N 3.06Å |
| 255 | C | 41.5 | Very low | 43.7 | Very low | 49 Ų | 49 | 128.7 Ų | 128.7 | 33% | 0.331 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -81.6 | -25.9 | 174 | -165 | 0 | 0 | 0 | 0 | 113.4 | F251 Q253 | F251-C255 WeakPolarHBondContact O-CB 3.47Å; F251-C255 PolarHBondContact O-N 2.91Å; Q253-C255 PolarHBondContact O-N 3.34Å |
| 256 | M | 51.5 | Low | 44.4 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.6 | -49.4 | 169.1 | -86.1 | -169.2 | -79.9 | 0 | 0 | 111.1 | V252 Q253 Q258 N259 E260 | V252-M256 HydrophobicContact CG1-CE 4.08Å; V252-M256 PolarHBondContact O-N 3.2Å; Q253-M256 PolarHBondContact O-N 3.22Å; M256-Q258 VanDerWaalsContact C-N 3.28Å; M256-Q258 PolarHBondContact O-N 2.76Å; M256-N259 WeakPolarHBondContact O-CB 3.42Å; M256-N259 PolarHBondContact O-N 3.46Å; M256-E260 PolarHBondContact O-N 3.02Å |
| 257 | E | 50.1 | Low | 44.8 | Very low | 121 Ų | 121 | 127 Ų | 127 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.2 | -36.5 | -179 | -110.1 | 176.7 | 106.3 | 0 | 0 | 112.9 | Q253 N259 R261 | Q253-E257 PolarHBondContact O-N 2.71Å; E257-N259 VanDerWaalsContact C-N 3.32Å; E257-N259 PolarHBondContact O-N 2.69Å; E257-R261 VanDerWaalsContact O-CG 3.25Å; E257-R261 WeakPolarHBondContact O-CG 3.33Å; E257-R261 PolarHBondContact O-N 3.17Å |
| 258 | Q | 48.3 | Very low | 45 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 58% | 0.579 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.8 | -31.1 | 177.1 | -165.9 | 179 | 64.5 | 0 | 0 | 112.6 | H254 M256 R261 Y262 | H254-Q258 WeakPolarHBondContact O-CB 3.45Å; H254-Q258 PolarHBondContact O-N 3.06Å; M256-Q258 VanDerWaalsContact C-N 3.28Å; M256-Q258 PolarHBondContact O-N 2.76Å; Q258-R261 PolarHBondContact O-N 2.98Å; Q258-Y262 PolarHBondContact O-N 3.15Å |
| 259 | N | 48.8 | Very low | 44.6 | Very low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73 | -39.1 | -179.7 | -156.9 | 16.4 | 0 | 0 | 0 | 111.2 | M256 E257 R261 Y262 G263 | M256-N259 WeakPolarHBondContact O-CB 3.42Å; M256-N259 PolarHBondContact O-N 3.46Å; E257-N259 VanDerWaalsContact C-N 3.32Å; E257-N259 PolarHBondContact O-N 2.69Å; N259-R261 VanDerWaalsContact C-N 3.34Å; N259-R261 PolarHBondContact O-N 2.91Å; N259-Y262 PolarHBondContact O-N 3.02Å; N259-G263 PolarHBondContact O-N 2.68Å |
| 260 | E | 48.5 | Very low | 44.6 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.2 | -38.7 | 173.1 | -65.2 | 175.4 | 128.7 | 0 | 0 | 111.7 | M256 Y262 G263 M264 | M256-E260 PolarHBondContact O-N 3.02Å; E260-Y262 VanDerWaalsContact C-N 3.31Å; E260-Y262 PolarHBondContact O-N 3.12Å; E260-G263 PolarHBondContact O-N 2.98Å; E260-M264 WeakPolarHBondContact O-CG 3.31Å |
| 261 | R | 44.5 | Very low | 44.4 | Very low | 202 Ų | 202 | 133.5 Ų | 133.5 | 76% | 0.762 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.7 | -23.6 | 176.7 | -70.4 | -68.1 | -62.5 | -96.3 | -1.4 | 114.2 | E257 Q258 N259 | E257-R261 VanDerWaalsContact O-CG 3.25Å; E257-R261 WeakPolarHBondContact O-CG 3.33Å; E257-R261 PolarHBondContact O-N 3.17Å; Q258-R261 PolarHBondContact O-N 2.98Å; N259-R261 VanDerWaalsContact C-N 3.34Å; N259-R261 PolarHBondContact O-N 2.91Å |
| 262 | Y | 42.3 | Very low | 43.8 | Very low | 183 Ų | 183 | 132.3 Ų | 132.3 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -92.2 | -29.9 | 174.4 | -102.9 | -91.4 | 0 | 0 | 0 | 113.6 | Q258 N259 E260 M264 Q265 | Q258-Y262 PolarHBondContact O-N 3.15Å; N259-Y262 PolarHBondContact O-N 3.02Å; E260-Y262 VanDerWaalsContact C-N 3.31Å; E260-Y262 PolarHBondContact O-N 3.12Å; Y262-M264 VanDerWaalsContact C-N 3.27Å; Y262-M264 PolarHBondContact O-N 3.41Å; Y262-Q265 PolarHBondContact O-N 2.64Å |
| 263 | G | 50.5 | Low | 42.9 | Very low | 47 Ų | 47 | 135 Ų | 135 | 49% | 0.485 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -62.4 | -31.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | N259 E260 Q265 | N259-G263 PolarHBondContact O-N 2.68Å; E260-G263 PolarHBondContact O-N 2.98Å; G263-Q265 PolarHBondContact O-N 2.86Å |
| 264 | M | 43.3 | Very low | 42.4 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 85% | 0.852 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -18.7 | -179.4 | -71.4 | -88.8 | -78.3 | 0 | 0 | 114.7 | E260 Y262 | E260-M264 WeakPolarHBondContact O-CG 3.31Å; Y262-M264 VanDerWaalsContact C-N 3.27Å; Y262-M264 PolarHBondContact O-N 3.41Å |
| 265 | Q | 45.2 | Very low | 42.1 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -18.2 | -173 | -164.5 | 74.8 | 63.2 | 0 | 0 | 113.6 | Y262 G263 | Y262-Q265 PolarHBondContact O-N 2.64Å; G263-Q265 PolarHBondContact O-N 2.86Å |
| 266 | Y | 49.3 | Very low | 41.8 | Very low | 223 Ų | 223 | 142.2 Ų | 142.2 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -135.8 | 22.9 | -171 | -87.7 | -84.2 | 0 | 0 | 0 | 114.4 | | |
| 267 | G | 37.2 | Very low | 40.9 | Very low | 58 Ų | 58 | 143.4 Ų | 143.4 | 60% | 0.598 | 74% | 0.744 | S | S | * | * | | | trans | -107.7 | 35 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 268 | H | 41.3 | Very low | 40 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 89% | 0.894 | 76% | 0.755 | S | S | * | * | | | trans | -120.8 | 78.5 | 177.9 | -86.7 | -11.7 | 0 | 0 | 0 | 113.4 | | |
| 269 | T | 34 | Very low | 39.2 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | | | trans | -129.8 | 123.7 | 150.8 | 51.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 270 | Q | 38.8 | Very low | 38.2 | Very low | 193 Ų | 193 | 151.8 Ų | 151.8 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | -66.1 | 139.3 | -171.4 | -58.2 | 179.9 | 17 | 0 | 0 | 112.3 | | |
| 271 | S | 29.3 | Very low | 37.5 | Very low | 128 Ų | 128 | 154.7 Ų | 154.7 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | -146.5 | 76.4 | 148.8 | -165 | 0 | 0 | 0 | 0 | 108.1 | | |
| 272 | S | 32.8 | Very low | 37 | Very low | 100 Ų | 100 | 150 Ų | 150 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | trans | -107.8 | 113.8 | 173.7 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 273 | T | 34.3 | Very low | 36.3 | Very low | 134 Ų | 134 | 149 Ų | 149 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -162 | 82.9 | 160.3 | 11.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 274 | E | 33.5 | Very low | 35.3 | Very low | 175 Ų | 175 | 149.3 Ų | 149.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -70.2 | 136.7 | 156.8 | -66.8 | 176.2 | 101.1 | 0 | 0 | 109.2 | I276 | E274-I276 PolarHBondContact O-N 2.83Å; E274-I276 VanDerWaalsContact O-N 3.15Å |
| 275 | P | 39.5 | Very low | 35 | Very low | 129 Ų | 129 | 150 Ų | 150 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -80.8 | 90.6 | 167.6 | 31.7 | -30.9 | 0 | 0 | 0 | 109.4 | N277 | P275-N277 PolarHBondContact O-N 3.15Š|
| 276 | I | 35.8 | Very low | 34.4 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | | | trans | -71.1 | 120.8 | 173.3 | -162.7 | 164.5 | 0 | 0 | 0 | 110.2 | E274 Q278 | E274-I276 PolarHBondContact O-N 2.83Å; E274-I276 VanDerWaalsContact O-N 3.15Å; I276-Q278 PolarHBondContact O-N 3.33Å |
| 277 | N | 30.7 | Very low | 33.6 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -70.2 | 116.9 | 177.9 | -173.5 | -57.7 | 0 | 0 | 0 | 109.6 | P275 | P275-N277 PolarHBondContact O-N 3.15Š|
| 278 | Q | 31.4 | Very low | 33.5 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -131.7 | 108.1 | 169.4 | -77 | -174.2 | 92.7 | 0 | 0 | 109.8 | I276 | I276-Q278 PolarHBondContact O-N 3.33Š|
| 279 | Q | 31.6 | Very low | 32.9 | Very low | 167 Ų | 167 | 146 Ų | 146 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | | | trans | -113.1 | 96 | 177.7 | 176.9 | 170.6 | -17.4 | 0 | 0 | 109 | | |
| 280 | Y | 27.8 | Very low | 33.1 | Very low | 208 Ų | 208 | 148.7 Ų | 148.7 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -161 | 117.2 | 160.6 | -136.3 | -108.1 | 0 | 0 | 0 | 113.1 | | |
| 281 | Y | 34.2 | Very low | 32.6 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | 33.4 | 121.3 | 158.6 | -73.8 | -93.4 | 0 | 0 | 0 | 122.2 | | |
| 282 | A | 33.3 | Very low | 32.6 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | | -157.2 | 147.4 | 112.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 283 | D | 28.5 | Very low | 32.5 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -84.7 | 162.8 | -173 | -133.1 | -56 | 0 | 0 | 0 | 113.5 | | |
| 284 | G | 30.1 | Very low | 32.4 | Very low | 54 Ų | 54 | 149.7 Ų | 149.7 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | | | trans | 95.7 | 117.3 | 139.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 285 | L | 36.8 | Very low | 32.2 | Very low | 187 Ų | 187 | 152.3 Ų | 152.3 | 98% | 0.979 | 80% | 0.801 | S | S | * | * | | | trans | 77.9 | 143.9 | 146.5 | -48.1 | 179.2 | 0 | 0 | 0 | 118.1 | | |
| 286 | G | 33.3 | Very low | 31.9 | Very low | 69 Ų | 69 | 149.6 Ų | 149.6 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | -125.5 | -147.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 287 | E | 31.9 | Very low | 31.6 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 84 | 122.9 | 179.8 | -59 | -141.4 | 138.5 | 0 | 0 | 118 | | |
| 288 | Y | 34.2 | Very low | 31.7 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | | | trans | 50.7 | 103.8 | 161.7 | -60.1 | -73.8 | 0 | 0 | 0 | 121.6 | Y290 | Y288-Y290 HydrophobicContact CD1-CD2 4.19Å; Y288-Y290 HydrophobicContact CD1-CE2 4.12Å; Y288-Y290 HydrophobicContact CE1-CE2 4.08Å |
| 289 | S | 29 | Very low | 31.9 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | | | | -149.6 | 108.7 | 126.5 | -84.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 290 | Y | 37.8 | Very low | 32 | Very low | 196 Ų | 196 | 149.7 Ų | 149.7 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -87.8 | 122.3 | 166.8 | -79.1 | -90.7 | 0 | 0 | 0 | 109.5 | Y288 | Y288-Y290 HydrophobicContact CD1-CD2 4.19Å; Y288-Y290 HydrophobicContact CD1-CE2 4.12Å; Y288-Y290 HydrophobicContact CE1-CE2 4.08Å |
| 291 | Q | 28.3 | Very low | 32.6 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | -164.1 | 115.2 | 141.2 | -130 | 78.4 | 78 | 0 | 0 | 111.8 | | |
| 292 | L | 30.8 | Very low | 32.6 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | | | trans | 36 | 115.1 | 153.9 | -84.2 | 59 | 0 | 0 | 0 | 120 | | |
| 293 | S | 30 | Very low | 32.9 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | trans | -147.5 | 156.2 | 145.2 | -85.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 294 | S | 31.1 | Very low | 33.3 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -69.5 | 159.2 | -161.1 | -164.1 | 0 | 0 | 0 | 0 | 115 | G296 | S294-G296 PolarHBondContact O-N 3.31Š|
| 295 | Y | 30.2 | Very low | 33.6 | Very low | 231 Ų | 231 | 152.3 Ų | 152.3 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | -23.8 | 123.6 | 171.8 | -90.6 | -103.5 | 0 | 0 | 0 | 115.4 | | |
| 296 | G | 33.3 | Very low | 33.4 | Very low | 71 Ų | 71 | 152 Ų | 152 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | trans | -84.9 | 136.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S294 | S294-G296 PolarHBondContact O-N 3.31Š|
| 297 | D | 29.6 | Very low | 33.5 | Very low | 166 Ų | 166 | 154 Ų | 154 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | -101.4 | 114.2 | 160.5 | -165.5 | 64.1 | 0 | 0 | 0 | 107.1 | | |
| 298 | Q | 32.8 | Very low | 33.6 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -125.2 | 141.5 | 177.5 | -91.6 | -72.9 | 7.5 | 0 | 0 | 108.5 | | |
| 299 | G | 34.4 | Very low | 33.7 | Very low | 62 Ų | 62 | 150.2 Ų | 150.2 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | | | trans | -56 | 151.6 | -157.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 300 | Y | 33.6 | Very low | 33.9 | Very low | 219 Ų | 219 | 150.7 Ų | 150.7 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | -120.3 | 98.4 | 155 | -77.3 | -79.8 | 0 | 0 | 0 | 109.6 | | |
| 301 | D | 42.3 | Very low | 33.6 | Very low | 144 Ų | 144 | 152.4 Ų | 152.4 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -56.2 | 131.1 | 147.5 | -169 | -58.9 | 0 | 0 | 0 | 107.7 | S303 | D301-S303 PolarHBondContact OD1-N 3.23Š|
| 302 | R | 33.1 | Very low | 33.8 | Very low | 217 Ų | 217 | 152.3 Ų | 152.3 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | | | trans | -143.2 | 68.2 | 171.2 | -159.9 | -161.6 | -72.2 | -154.3 | 0.4 | 111.8 | | |
| 303 | S | 39.7 | Very low | 33.9 | Very low | 112 Ų | 112 | 153.1 Ų | 153.1 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -88.7 | 85.5 | 149.3 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | D301 | D301-S303 PolarHBondContact OD1-N 3.23Š|
| 304 | L | 36.8 | Very low | 33.9 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -152.1 | 107.2 | 166.6 | -145.3 | 135.9 | 0 | 0 | 0 | 113.2 | | |
| 305 | D | 36.6 | Very low | 34 | Very low | 152 Ų | 152 | 149 Ų | 149 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | 45.8 | 141.2 | 141 | -138.3 | -128 | 0 | 0 | 0 | 122.6 | | |
| 306 | E | 33.3 | Very low | 34.3 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -85.3 | 109.2 | -169.8 | -169.1 | 159.2 | 104.3 | 0 | 0 | 112.3 | | |
| 307 | S | 34.8 | Very low | 34.4 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -170.6 | 145.8 | 159.9 | -95.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 308 | S | 34.2 | Very low | 34.7 | Very low | 74 Ų | 74 | 147.5 Ų | 147.5 | 52% | 0.517 | 78% | 0.781 | S | S | . | * | | | cis | -161.3 | 127.4 | -15.8 | -103.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 309 | Q | 35.2 | Very low | 34.6 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -128.9 | 113.3 | 154.8 | -86.2 | -65.5 | 9.6 | 0 | 0 | 108.6 | | |
| 310 | H | 34.1 | Very low | 34.5 | Very low | 141 Ų | 141 | 153 Ų | 153 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | | | trans | -81.6 | 136.5 | -169.9 | -66.7 | -105.5 | 0 | 0 | 0 | 111.3 | | |
| 311 | Y | 31.3 | Very low | 34.5 | Very low | 232 Ų | 232 | 151.4 Ų | 151.4 | 91% | 0.91 | 79% | 0.787 | S | S | * | * | | | trans | -133.7 | 133.3 | 132.2 | -152.6 | -97.4 | 0 | 0 | 0 | 109.6 | | |
| 312 | Y | 33.1 | Very low | 34.2 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -55.5 | 158.2 | -178 | -100.7 | -121.1 | 0 | 0 | 0 | 112.8 | | |
| 313 | E | 31.3 | Very low | 34.2 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | cis | -163.3 | 152.8 | 13.8 | -162.2 | 163 | -179.8 | 0 | 0 | 111.9 | | |
| 314 | G | 31.5 | Very low | 33.9 | Very low | 77 Ų | 77 | 148.8 Ų | 148.8 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | 92.2 | 98.3 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 315 | G | 32.6 | Very low | 33.6 | Very low | 84 Ų | 84 | 146.5 Ų | 146.5 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | | 96.2 | 95.4 | 124.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 316 | N | 37.2 | Very low | 33.2 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -75.2 | 139 | 157 | 176 | 14.1 | 0 | 0 | 0 | 110.7 | | |
| 317 | S | 33.8 | Very low | 33.3 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -159.6 | 118 | 155.8 | -82.6 | 0 | 0 | 0 | 0 | 113.7 | Y319 | S317-Y319 PolarHBondContact O-N 3.49Š|
| 318 | Q | 37 | Very low | 33.1 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | -55.4 | 126.6 | 144.4 | -76.6 | 171.9 | -114.5 | 0 | 0 | 109.1 | | |
| 319 | Y | 31.5 | Very low | 32.9 | Very low | 214 Ų | 214 | 155 Ų | 155 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | | 167.9 | 129.3 | 127.5 | -109.7 | -97.5 | 0 | 0 | 0 | 111.6 | S317 | S317-Y319 PolarHBondContact O-N 3.49Š|
| 320 | N | 32 | Very low | 32.8 | Very low | 132 Ų | 132 | 151.3 Ų | 151.3 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | 23.6 | 111.2 | 143.8 | -171.8 | 40.6 | 0 | 0 | 0 | 120.3 | | |
| 321 | Q | 33.5 | Very low | 32.7 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | trans | -156.7 | 161.8 | 130.6 | -122.8 | -163.3 | 111.1 | 0 | 0 | 114.6 | | |
| 322 | Q | 35.1 | Very low | 32.8 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 67% | 0.673 | 79% | 0.791 | S | S | * | * | | | trans | -90.4 | 156.6 | -173.3 | -68.9 | 165.4 | -19.4 | 0 | 0 | 112.9 | | |
| 323 | Q | 33.5 | Very low | 32.9 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | 61.3 | 144.7 | 150.8 | -71.5 | 174.4 | 38.7 | 0 | 0 | 117.6 | | |
| 324 | S | 34.3 | Very low | 33 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | cis | -151.8 | 158.6 | -8 | -76.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 325 | S | 29.9 | Very low | 33.8 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | | 171.6 | 144.4 | 79.9 | 40.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 326 | Y | 28.8 | Very low | 33.5 | Very low | 215 Ų | 215 | 152.2 Ų | 152.2 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | 10.1 | 132.8 | 160.6 | -50.5 | -78.9 | 0 | 0 | 0 | 119.9 | | |
| 327 | Q | 35.1 | Very low | 33.2 | Very low | 176 Ų | 176 | 150.1 Ų | 150.1 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | | -168.8 | 104.7 | 68.7 | -163.4 | 160.3 | 91.5 | 0 | 0 | 109.7 | | |
| 328 | Q | 30.6 | Very low | 33.3 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | | 73 | 91.1 | 93 | -162.9 | 177.3 | 37 | 0 | 0 | 116.1 | | |
| 329 | S | 29.6 | Very low | 33.1 | Very low | 123 Ų | 123 | 152.6 Ų | 152.6 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -148.2 | 117 | 142.8 | -166.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 330 | S | 32.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -75.5 | 137.9 | 179.7 | 46.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 331 | G | 32.9 | Very low | 33.1 | Very low | 71 Ų | 71 | 153.4 Ų | 153.4 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | | 115.5 | 155 | 67.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 332 | Q | 32.6 | Very low | 33.1 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | cis | -150 | 161.5 | 6.1 | -92.5 | -80.1 | 33.9 | 0 | 0 | 108.7 | | |
| 333 | Q | 35 | Very low | 33.1 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | -113.9 | 178.8 | 163 | -83.9 | -167.4 | 8.9 | 0 | 0 | 110.5 | | |
| 334 | Q | 34.6 | Very low | 33.1 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | 95.7 | 156 | 168.9 | -52.2 | -62.2 | -32.6 | 0 | 0 | 115.3 | | |
| 335 | P | 46.9 | Very low | 33.1 | Very low | 96 Ų | 96 | 152.4 Ų | 152.4 | 62% | 0.623 | 79% | 0.789 | S | S | * | * | | | | -138.9 | -173.1 | -72.8 | 37.6 | -18.8 | 0 | 0 | 0 | 114.4 | | |
| 336 | Y | 27.8 | Very low | 33 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | 68.1 | 120.2 | 159.2 | -102.2 | -90.5 | 0 | 0 | 0 | 120.3 | | |
| 337 | S | 30.3 | Very low | 33 | Very low | 110 Ų | 110 | 151.2 Ų | 151.2 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | | 177.3 | 148.5 | 112.9 | 41.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 338 | Q | 34.6 | Very low | 33 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -70.7 | 149.4 | 170.8 | -82 | -142.1 | 90.1 | 0 | 0 | 111.6 | | |
| 339 | Q | 34.5 | Very low | 33.1 | Very low | 155 Ų | 155 | 143 Ų | 143 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | | | trans | -140.2 | 109.6 | 156.4 | -121.4 | 172.7 | 59 | 0 | 0 | 113.6 | | |
| 340 | Q | 30.9 | Very low | 33.6 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | trans | -77.7 | 115.1 | 169.8 | 173 | -177.2 | -61.9 | 0 | 0 | 108.9 | | |
| 341 | Y | 31.7 | Very low | 34.3 | Very low | 198 Ų | 198 | 146 Ų | 146 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -83.7 | 122.5 | 174.3 | -98.5 | -93.1 | 0 | 0 | 0 | 111.5 | | |
| 342 | S | 34.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | trans | -135.7 | 119.3 | 167 | -70.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 343 | S | 33.7 | Very low | 34.3 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -159 | 87.8 | 167.1 | 48.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 344 | Q | 33.8 | Very low | 34.2 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -82.9 | 117.3 | 153.1 | -87.2 | -97.1 | 72.6 | 0 | 0 | 108.2 | | |
| 345 | Q | 34.5 | Very low | 34.2 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -146.9 | 126.8 | 148.5 | -76.7 | -157.7 | 8.4 | 0 | 0 | 108.4 | | |
| 346 | G | 29 | Very low | 34.4 | Very low | 65 Ų | 65 | 146 Ų | 146 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | -100.6 | 159.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 347 | Y | 28.1 | Very low | 34.5 | Very low | 227 Ų | 227 | 142.2 Ų | 142.2 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | | | trans | -143 | 154.5 | 156.9 | -115.8 | -85.5 | 0 | 0 | 0 | 111.3 | | |
| 348 | S | 33.9 | Very low | 34.8 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -67.6 | 160.4 | -168.1 | 53.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 349 | G | 33.4 | Very low | 34.7 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | trans | 160.6 | 86.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 350 | Q | 40.1 | Very low | 34.6 | Very low | 191 Ų | 191 | 136.9 Ų | 136.9 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | -86.7 | 157.8 | 153 | -90.3 | -166.1 | -22.5 | 0 | 0 | 110.2 | | |
| 351 | P | 47.9 | Very low | 34.9 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | trans | -117.3 | 152.5 | 143.7 | 11.6 | 8.5 | 0 | 0 | 0 | 113.2 | | |
| 352 | Q | 34.9 | Very low | 35.2 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | -51.8 | 158.5 | 166.8 | -65.9 | 83.3 | -17.6 | 0 | 0 | 112 | | |
| 353 | G | 29.6 | Very low | 35.1 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | | | cis | 124.7 | 142.3 | 9.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 354 | Y | 33.4 | Very low | 35 | Very low | 243 Ų | 243 | 138.3 Ų | 138.3 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | | | trans | -174.1 | 127.6 | 157.1 | -114.7 | -80.3 | 0 | 0 | 0 | 109.8 | | |
| 355 | G | 34.8 | Very low | 34.8 | Very low | 64 Ų | 64 | 134.4 Ų | 134.4 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | | | trans | -87.7 | -175.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 356 | P | 50.3 | Low | 34.6 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | | -151.1 | 168.2 | 77.2 | 39.4 | -22 | 0 | 0 | 0 | 117.7 | | |
| 357 | N | 31.3 | Very low | 34.7 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | 64.8 | 141.8 | 153.7 | -84.1 | -6.2 | 0 | 0 | 0 | 119.4 | | |
| 358 | Q | 37.1 | Very low | 35.1 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | cis | -132.2 | 158.8 | -6.9 | -53.9 | -176.4 | 10.1 | 0 | 0 | 107.3 | | |
| 359 | G | 32.3 | Very low | 35.1 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | | 62.7 | 113.7 | 65.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 360 | G | 32 | Very low | 35.2 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | | | cis | -165.8 | -154.6 | 6.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 361 | S | 37.3 | Very low | 35 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -101.3 | 152.6 | -157.1 | 57 | 0 | 0 | 0 | 0 | 117.4 | | |
| 362 | S | 37.8 | Very low | 34.4 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | 71.2 | 142.8 | 150.7 | -54.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 363 | Q | 31.6 | Very low | 34.5 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | | 175.9 | 156.8 | 124.8 | -88.5 | -65.1 | -9.5 | 0 | 0 | 109.6 | | |
| 364 | F | 31.9 | Very low | 34.7 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -99.8 | 170 | -168.8 | -119.7 | -98.6 | 0 | 0 | 0 | 113.9 | | |
| 365 | S | 29.7 | Very low | 34.8 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | 81.4 | 149.8 | 169.6 | -41.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 366 | Q | 30.4 | Very low | 34.8 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | cis | -175.2 | 131.3 | 47.7 | -171.7 | 172.1 | 22.9 | 0 | 0 | 111.2 | | |
| 367 | Y | 31.1 | Very low | 34 | Very low | 192 Ų | 192 | 143 Ų | 143 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | 62.5 | 174.4 | 154.7 | -77.7 | -128.9 | 0 | 0 | 0 | 118 | | |
| 368 | Q | 35.6 | Very low | 34.1 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | | | cis | -167.3 | 130.9 | -42.9 | 175.5 | 161.8 | 72.8 | 0 | 0 | 108.2 | | |
| 369 | Q | 35.1 | Very low | 33.9 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | 32.6 | 114.2 | 149.8 | -167 | 177.5 | 19.8 | 0 | 0 | 121.3 | | |
| 370 | S | 36.1 | Very low | 33.9 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -167.8 | 110.2 | 146.6 | -74.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 371 | Q | 34.9 | Very low | 34.2 | Very low | 169 Ų | 169 | 152.9 Ų | 152.9 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | | 33.8 | 126.9 | 84.3 | -65.1 | -160.2 | 77.5 | 0 | 0 | 113.4 | | |
| 372 | S | 34.3 | Very low | 34.3 | Very low | 96 Ų | 96 | 157.4 Ų | 157.4 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | | | cis | -168.4 | 155.7 | 7.3 | 48.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 373 | Q | 38.8 | Very low | 34.1 | Very low | 182 Ų | 182 | 156 Ų | 156 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -163.2 | 135.7 | 136.9 | -86.5 | -44.4 | -11.3 | 0 | 0 | 110.5 | | |
| 374 | Q | 33.8 | Very low | 34.2 | Very low | 189 Ų | 189 | 150.5 Ų | 150.5 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 137.5 | 178.8 | -62.2 | 172.5 | -82.9 | 0 | 0 | 110.4 | | |
| 375 | Y | 34.3 | Very low | 34.7 | Very low | 236 Ų | 236 | 147.8 Ų | 147.8 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84 | 124.3 | 164.4 | -100.2 | -93.6 | 0 | 0 | 0 | 110.1 | | |
| 376 | G | 34.8 | Very low | 34.9 | Very low | 67 Ų | 67 | 146.1 Ų | 146.1 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 137.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 377 | S | 34.1 | Very low | 35.1 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 143.6 | 175.1 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 378 | Y | 33.6 | Very low | 35.4 | Very low | 239 Ų | 239 | 143.7 Ų | 143.7 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | | | trans | -126 | 102 | 152.7 | -71.8 | -72.4 | 0 | 0 | 0 | 111 | | |
| 379 | R | 31.6 | Very low | 35.5 | Very low | 223 Ų | 223 | 143.6 Ų | 143.6 | 84% | 0.842 | 82% | 0.824 | S | S | * | * | | | trans | -103.1 | 117.2 | 167 | 177.5 | -176.7 | -172 | -104.1 | 5.1 | 107.2 | | |
| 380 | S | 34.2 | Very low | 35.6 | Very low | 125 Ų | 125 | 145 Ų | 145 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | | | trans | -82.8 | 132.5 | 174.7 | 39.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 381 | S | 36.8 | Very low | 35.4 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | | | trans | -116.9 | 139.7 | 178.4 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 382 | Q | 38.9 | Very low | 35.8 | Very low | 204 Ų | 204 | 148.6 Ų | 148.6 | 95% | 0.953 | 83% | 0.834 | S | S | * | * | | | trans | -61.3 | 152.6 | 172.8 | -72.7 | 176.9 | -32.1 | 0 | 0 | 112.9 | | |
| 383 | G | 35 | Very low | 35.9 | Very low | 76 Ų | 76 | 154.8 Ų | 154.8 | 78% | 0.784 | 85% | 0.845 | S | S | * | * | | | trans | -170.7 | 122.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 384 | G | 32.6 | Very low | 35.8 | Very low | 75 Ų | 75 | 151.8 Ų | 151.8 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | | | trans | -85.8 | -164 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 385 | P | 43 | Very low | 35.9 | Very low | 138 Ų | 138 | 153 Ų | 153 | 90% | 0.896 | 84% | 0.842 | S | S | * | * | | | cis | -137.7 | -172.6 | 14.1 | 42.5 | -25 | 0 | 0 | 0 | 115.1 | | |
| 386 | G | 33.8 | Very low | 36.3 | Very low | 72 Ų | 72 | 151.1 Ų | 151.1 | 74% | 0.742 | 84% | 0.842 | S | S | * | * | | | trans | 120.6 | 105 | 133.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 387 | A | 33.9 | Very low | 36.5 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 92% | 0.917 | 84% | 0.843 | S | S | * | * | | | trans | 77.2 | 155.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 388 | Q | 38.7 | Very low | 37 | Very low | 189 Ų | 189 | 153.6 Ų | 153.6 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | | | trans | -93.2 | 160 | -165.8 | -56.1 | 171 | -27.4 | 0 | 0 | 113.5 | | |
| 389 | T | 37.3 | Very low | 37.5 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 87% | 0.871 | 84% | 0.837 | S | S | * | * | | | trans | -165.9 | 142 | 133.7 | -75.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 390 | Q | 36.8 | Very low | 38 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 86% | 0.855 | 84% | 0.841 | S | S | * | * | | | trans | -73.1 | 151.1 | 178.9 | -57.9 | 166.2 | 6.4 | 0 | 0 | 112.7 | | |
| 391 | R | 32.8 | Very low | 38.5 | Very low | 240 Ų | 240 | 148.5 Ų | 148.5 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | | | trans | -142 | 150.7 | 152.4 | -77.2 | -153.6 | -156.2 | -91.7 | 5.7 | 111.5 | | |
| 392 | P | 43.6 | Very low | 38.5 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 79% | 0.786 | 84% | 0.837 | S | S | * | * | | | trans | -92.1 | 170.1 | -165.7 | 37.3 | -37.6 | 0 | 0 | 0 | 114.7 | | |
| 393 | Y | 36.2 | Very low | 38.7 | Very low | 226 Ų | 226 | 155.9 Ų | 155.9 | 89% | 0.886 | 85% | 0.85 | S | S | * | * | | | trans | -58.6 | 147.8 | 169.8 | -84.3 | -102.8 | 0 | 0 | 0 | 113.1 | | |
| 394 | S | 37.2 | Very low | 38.9 | Very low | 120 Ų | 120 | 159.9 Ų | 159.9 | 84% | 0.839 | 85% | 0.853 | S | S | * | * | | | trans | -131 | 134.1 | 157.1 | -73.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 395 | Y | 34.8 | Very low | 39.2 | Very low | 214 Ų | 214 | 164.3 Ų | 164.3 | 84% | 0.839 | 86% | 0.857 | S | S | * | * | | | trans | -92.3 | 125.1 | -179.4 | -137 | -95.8 | 0 | 0 | 0 | 108.2 | | |
| 396 | E | 43.1 | Very low | 39 | Very low | 196 Ų | 196 | 165.8 Ų | 165.8 | 92% | 0.916 | 86% | 0.855 | S | S | * | * | | | trans | -95.5 | 114.1 | 163.1 | -111.5 | -158.7 | 111.8 | 0 | 0 | 109.4 | | |
| 397 | Q | 39.8 | Very low | 39.3 | Very low | 156 Ų | 156 | 171.3 Ų | 171.3 | 73% | 0.729 | 86% | 0.862 | S | S | * | * | | | trans | -104.3 | 102.6 | 172.1 | -172.2 | -171.1 | 93.9 | 0 | 0 | 107.6 | Q399 | Q397-Q399 PolarHBondContact O-N 3.45Å; Q397-Q399 VanDerWaalsContact O-N 3.17Å |
| 398 | G | 44.4 | Very low | 39.7 | Very low | 74 Ų | 74 | 175.1 Ų | 175.1 | 76% | 0.763 | 86% | 0.858 | S | S | * | * | | | trans | -66.2 | 111.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 399 | Q | 42.4 | Very low | 39.7 | Very low | 176 Ų | 176 | 174.1 Ų | 174.1 | 82% | 0.822 | 86% | 0.857 | S | S | * | * | | | trans | -94.1 | 140.8 | 177.1 | -163 | 174.2 | 100.3 | 0 | 0 | 110.6 | Q397 | Q397-Q399 PolarHBondContact O-N 3.45Å; Q397-Q399 VanDerWaalsContact O-N 3.17Å |
| 400 | Y | 43.3 | Very low | 39.9 | Very low | 237 Ų | 237 | 176.4 Ų | 176.4 | 93% | 0.929 | 86% | 0.856 | S | S | * | * | | | trans | -60.3 | 143.9 | -177.1 | -92.2 | -112.1 | 0 | 0 | 0 | 113.6 | | |
| 401 | G | 43.8 | Very low | 40.1 | Very low | 67 Ų | 67 | 175.9 Ų | 175.9 | 69% | 0.691 | 86% | 0.856 | S | S | * | * | | | trans | -134.7 | 124.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 402 | N | 38.4 | Very low | 40.8 | Very low | 149 Ų | 149 | 170.6 Ų | 170.6 | 80% | 0.797 | 85% | 0.851 | S | S | * | * | | | trans | -27.1 | 133.9 | 176 | -67.9 | -90.2 | 0 | 0 | 0 | 117.1 | | |
| 403 | Y | 42.1 | Very low | 40.5 | Very low | 311 Ų | 311 | 175.1 Ų | 175.1 | 100% | 1.22 | 86% | 0.857 | S | S | * | * | | | | -147.8 | 0 | 119.2 | -74 | -64 | 0 | 0 | 0 | 109.9 | | |