| 1 | M | 55.5 | Low | 59.9 | Low | 206 Ų | 206 | 107.5 Ų | 107.5 | 100% | 1.015 | 59% | 0.588 | S | S | * | * | | | | 0 | -44.2 | 0 | -65.2 | -175.5 | 82 | 0 | 0 | 113.8 | N3 I4 | M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 2.72Å; M1-N3 VanDerWaalsContact O-N 3.13Å; M1-I4 PolarHBondContact O-N 3.38Å |
| 2 | I | 58.1 | Low | 60.3 | Low | 123 Ų | 123 | 108.6 Ų | 108.6 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -46.1 | -46.1 | -173.9 | -65.4 | 168.1 | 0 | 0 | 0 | 114.3 | I4 L5 I6 | I2-I4 PolarHBondContact O-N 3.37Å; I2-I4 VanDerWaalsContact O-N 3.16Å; I2-L5 WeakPolarHBondContact O-CB 3.17Å; I2-L5 PolarHBondContact O-N 3.38Å; I2-L5 VanDerWaalsContact O-N 3.08Å; I2-I6 HydrophobicContact CG2-CD1 3.82Å; I2-I6 HydrophobicContact CG2-CG1 4.39Å; I2-I6 PolarHBondContact O-N 2.8Å; I2-I6 VanDerWaalsContact O-N 3.17Å |
| 3 | N | 54.1 | Low | 60.8 | Low | 134 Ų | 134 | 108.7 Ų | 108.7 | 72% | 0.717 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61 | -28.6 | -176.2 | -59.3 | 6.9 | 0 | 0 | 0 | 113.8 | M1 I6 G7 | M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 2.72Å; M1-N3 VanDerWaalsContact O-N 3.13Å; N3-I6 PolarHBondContact O-N 3.47Å; N3-G7 PolarHBondContact O-N 3.12Å |
| 4 | I | 60.2 | Low | 61.2 | Low | 119 Ų | 119 | 108.3 Ų | 108.3 | 61% | 0.61 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.1 | -40.7 | 177.6 | -59.7 | 174.4 | 0 | 0 | 0 | 110.4 | M1 I2 I6 G7 I8 | M1-I4 PolarHBondContact O-N 3.38Å; I2-I4 PolarHBondContact O-N 3.37Å; I2-I4 VanDerWaalsContact O-N 3.16Å; I4-I6 VanDerWaalsContact C-N 3.32Å; I4-I6 PolarHBondContact O-N 2.99Å; I4-G7 PolarHBondContact O-N 3.41Å; I4-I8 HydrophobicContact CG2-CD1 3.87Å; I4-I8 HydrophobicContact CG2-CG1 4.49Å; I4-I8 WeakPolarHBondContact O-CG1 3.06Å; I4-I8 PolarHBondContact O-N 2.91Å |
| 5 | L | 57.2 | Low | 61.7 | Low | 130 Ų | 130 | 106.3 Ų | 106.3 | 68% | 0.681 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63 | -39.2 | 175.1 | -71.8 | 160.1 | 0 | 0 | 0 | 111.4 | I2 G9 | I2-L5 WeakPolarHBondContact O-CB 3.17Å; I2-L5 PolarHBondContact O-N 3.38Å; I2-L5 VanDerWaalsContact O-N 3.08Å; L5-G9 PolarHBondContact O-N 3.37Å |
| 6 | I | 61.1 | Low | 62.3 | Low | 95 Ų | 95 | 106.5 Ų | 106.5 | 49% | 0.487 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.2 | -47.6 | 175.3 | -64.2 | 171.7 | 0 | 0 | 0 | 110.7 | I2 N3 I4 G9 I10 | I2-I6 HydrophobicContact CG2-CD1 3.82Å; I2-I6 HydrophobicContact CG2-CG1 4.39Å; I2-I6 PolarHBondContact O-N 2.8Å; I2-I6 VanDerWaalsContact O-N 3.17Å; N3-I6 PolarHBondContact O-N 3.47Å; I4-I6 VanDerWaalsContact C-N 3.32Å; I4-I6 PolarHBondContact O-N 2.99Å; I6-G9 PolarHBondContact O-N 3.41Å; I6-I10 HydrophobicContact CG2-CD1 3.73Å; I6-I10 HydrophobicContact CG2-CG1 4.47Å; I6-I10 WeakPolarHBondContact O-CG1 3.32Å; I6-I10 PolarHBondContact O-N 3.39Å |
| 7 | G | 58.9 | Low | 62.9 | Low | 42 Ų | 42 | 108.5 Ų | 108.5 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.7 | -47.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N3 I4 G9 I10 L11 | N3-G7 PolarHBondContact O-N 3.12Å; I4-G7 PolarHBondContact O-N 3.41Å; G7-G9 PolarHBondContact O-N 3.18Å; G7-I10 PolarHBondContact O-N 3Å; G7-L11 WeakPolarHBondContact O-CB 3.42Å; G7-L11 PolarHBondContact O-N 2.93Å; G7-L11 VanDerWaalsContact O-N 3.11Å |
| 8 | I | 62.9 | Low | 63.4 | Low | 91 Ų | 91 | 107.3 Ų | 107.3 | 47% | 0.467 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -42.1 | 177 | -65.9 | 169.8 | 0 | 0 | 0 | 110.8 | I4 L11 H12 | I4-I8 HydrophobicContact CG2-CD1 3.87Å; I4-I8 HydrophobicContact CG2-CG1 4.49Å; I4-I8 WeakPolarHBondContact O-CG1 3.06Å; I4-I8 PolarHBondContact O-N 2.91Å; I8-L11 PolarHBondContact O-N 2.89Å; I8-H12 PolarHBondContact O-N 2.9Å; I8-H12 PolarHBondContact O-ND1 3.27Å |
| 9 | G | 60.9 | Low | 63.7 | Low | 32 Ų | 32 | 107 Ų | 107 | 33% | 0.33 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.4 | -49.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L5 I6 G7 L11 H12 I13 | L5-G9 PolarHBondContact O-N 3.37Å; I6-G9 PolarHBondContact O-N 3.41Å; G7-G9 PolarHBondContact O-N 3.18Å; G9-L11 VanDerWaalsContact C-N 3.34Å; G9-L11 PolarHBondContact O-N 2.9Å; G9-H12 PolarHBondContact O-N 3.47Å; G9-I13 WeakPolarHBondContact O-CD1 2.81Å; G9-I13 VanDerWaalsContact O-CG1 3.29Å; G9-I13 WeakPolarHBondContact O-CG1 3.25Å; G9-I13 PolarHBondContact O-N 3Å |
| 10 | I | 62.1 | Low | 63.7 | Low | 91 Ų | 91 | 105.8 Ų | 105.8 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.7 | -41.6 | -179.8 | -66.9 | 169.7 | 0 | 0 | 0 | 111.2 | I6 G7 H12 I13 L14 | I6-I10 HydrophobicContact CG2-CD1 3.73Å; I6-I10 HydrophobicContact CG2-CG1 4.47Å; I6-I10 WeakPolarHBondContact O-CG1 3.32Å; I6-I10 PolarHBondContact O-N 3.39Å; G7-I10 PolarHBondContact O-N 3Å; I10-H12 VanDerWaalsContact C-N 3.26Å; I10-H12 PolarHBondContact O-N 3.12Å; I10-I13 PolarHBondContact O-N 3.21Å; I10-L14 HydrophobicContact CG2-CD1 4.07Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CG 3.37Å; I10-L14 PolarHBondContact O-N 3.48Å |
| 11 | L | 67.9 | Low | 63.5 | Low | 120 Ų | 120 | 104.8 Ų | 104.8 | 63% | 0.628 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.8 | -35 | -179.2 | -174.3 | 61.8 | 0 | 0 | 0 | 113.1 | G7 I8 G9 P15 | G7-L11 WeakPolarHBondContact O-CB 3.42Å; G7-L11 PolarHBondContact O-N 2.93Å; G7-L11 VanDerWaalsContact O-N 3.11Å; I8-L11 PolarHBondContact O-N 2.89Å; G9-L11 VanDerWaalsContact C-N 3.34Å; G9-L11 PolarHBondContact O-N 2.9Å; L11-P15 WeakPolarHBondContact O-CD 3.4Å |
| 12 | H | 64.3 | Low | 63.7 | Low | 120 Ų | 120 | 98.5 Ų | 98.5 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -84.2 | -26.2 | 178.5 | -68.7 | 83.5 | 0 | 0 | 0 | 113.7 | I8 G9 I10 P15 | I8-H12 PolarHBondContact O-N 2.9Å; I8-H12 PolarHBondContact O-ND1 3.27Å; G9-H12 PolarHBondContact O-N 3.47Å; I10-H12 VanDerWaalsContact C-N 3.26Å; I10-H12 PolarHBondContact O-N 3.12Å; H12-P15 WeakPolarHBondContact O-CD 3.47Å; H12-P15 WeakPolarHBondContact O-CG 3.39Å |
| 13 | I | 66.9 | Low | 63.9 | Low | 110 Ų | 110 | 97.5 Ų | 97.5 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.6 | -38.1 | -179.9 | -69.7 | 164.5 | 0 | 0 | 0 | 111.6 | G9 I10 L16 Y17 | G9-I13 WeakPolarHBondContact O-CD1 2.81Å; G9-I13 VanDerWaalsContact O-CG1 3.29Å; G9-I13 WeakPolarHBondContact O-CG1 3.25Å; G9-I13 PolarHBondContact O-N 3Å; I10-I13 PolarHBondContact O-N 3.21Å; I13-L16 PolarHBondContact O-N 3.45Å; I13-Y17 PolarHBondContact O-N 2.85Å |
| 14 | L | 66.9 | Low | 63.9 | Low | 103 Ų | 103 | 98.3 Ų | 98.3 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55.2 | -53.1 | -178.5 | -72.4 | 167.5 | 0 | 0 | 0 | 114.5 | I10 L16 Y17 V18 | I10-L14 HydrophobicContact CG2-CD1 4.07Å; I10-L14 HydrophobicContact CG2-CG 4.41Å; I10-L14 WeakPolarHBondContact O-CG 3.37Å; I10-L14 PolarHBondContact O-N 3.48Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 3.12Å; L14-Y17 PolarHBondContact O-N 3.48Å; L14-V18 WeakPolarHBondContact O-CG2 3.38Å; L14-V18 PolarHBondContact O-N 3.35Å; L14-V18 VanDerWaalsContact O-N 3.09Å |
| 15 | P | 69.2 | Low | 63.8 | Low | 78 Ų | 78 | 101 Ų | 101 | 51% | 0.506 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 179.7 | 23.8 | -33.8 | 0 | 0 | 0 | 113.1 | L11 H12 V18 L19 | L11-P15 WeakPolarHBondContact O-CD 3.4Å; H12-P15 WeakPolarHBondContact O-CD 3.47Å; H12-P15 WeakPolarHBondContact O-CG 3.39Å; P15-V18 PolarHBondContact O-N 3.12Å; P15-L19 WeakPolarHBondContact O-CB 3.49Å; P15-L19 PolarHBondContact O-N 3.46Å |
| 16 | L | 70.9 | Confident | 63.6 | Low | 110 Ų | 110 | 103.5 Ų | 103.5 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.6 | -38.4 | 176.4 | -65.9 | 173.7 | 0 | 0 | 0 | 111.9 | I13 L14 T20 | I13-L16 PolarHBondContact O-N 3.45Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 3.12Å; L16-T20 WeakPolarHBondContact O-CG2 3.49Å; L16-T20 PolarHBondContact O-N 2.96Å; L16-T20 PolarHBondContact O-OG1 3.41Å |
| 17 | Y | 72.6 | Confident | 63.5 | Low | 140 Ų | 140 | 104 Ų | 104 | 55% | 0.549 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 175.1 | -175.8 | -103.9 | 0 | 0 | 0 | 112.4 | I13 L14 T20 M21 | I13-Y17 PolarHBondContact O-N 2.85Å; L14-Y17 PolarHBondContact O-N 3.48Å; Y17-T20 PolarHBondContact O-OG1 3.04Å; Y17-T20 VanDerWaalsContact O-OG1 3.08Å; Y17-M21 HydrophobicContact CE1-CG 4.4Å; Y17-M21 HydrophobicContact CE2-CE 3.89Å; Y17-M21 WeakPolarHBondContact O-CG 3.38Å; Y17-M21 PolarHBondContact O-N 3.28Å; Y17-M21 VanDerWaalsContact O-N 3.15Å |
| 18 | V | 71.3 | Confident | 63.2 | Low | 87 Ų | 87 | 106.8 Ų | 106.8 | 53% | 0.527 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64 | -48.3 | 174.9 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | L14 P15 T20 M21 C22 | L14-V18 WeakPolarHBondContact O-CG2 3.38Å; L14-V18 PolarHBondContact O-N 3.35Å; L14-V18 VanDerWaalsContact O-N 3.09Å; P15-V18 PolarHBondContact O-N 3.12Å; V18-T20 PolarHBondContact O-N 3.25Å; V18-M21 PolarHBondContact O-N 3.22Å; V18-C22 PolarHBondContact O-N 3.39Å; V18-C22 PolarHBondContact O-SG 2.95Å; V18-C22 VanDerWaalsContact O-SG 3.39Å |
| 19 | L | 68.5 | Low | 62.8 | Low | 102 Ų | 102 | 107.9 Ų | 107.9 | 53% | 0.534 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.3 | -45.4 | -179.1 | -177.2 | 63.2 | 0 | 0 | 0 | 112.2 | P15 M21 C22 I23 | P15-L19 WeakPolarHBondContact O-CB 3.49Å; P15-L19 PolarHBondContact O-N 3.46Å; L19-M21 PolarHBondContact O-N 3.18Å; L19-C22 PolarHBondContact O-N 3.35Å; L19-I23 HydrophobicContact CD1-CD1 4.5Å; L19-I23 HydrophobicContact CG-CD1 4.22Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 3.02Å |
| 20 | T | 64.8 | Low | 62.4 | Low | 83 Ų | 83 | 115.9 Ų | 115.9 | 51% | 0.509 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66 | -36 | 178.3 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | L16 Y17 V18 I23 K24 | L16-T20 WeakPolarHBondContact O-CG2 3.49Å; L16-T20 PolarHBondContact O-N 2.96Å; L16-T20 PolarHBondContact O-OG1 3.41Å; Y17-T20 PolarHBondContact O-OG1 3.04Å; Y17-T20 VanDerWaalsContact O-OG1 3.08Å; V18-T20 PolarHBondContact O-N 3.25Å; T20-I23 PolarHBondContact O-N 3.45Å; T20-K24 WeakPolarHBondContact O-CB 3.15Å; T20-K24 PolarHBondContact O-N 2.94Å |
| 21 | M | 60.3 | Low | 61.8 | Low | 85 Ų | 85 | 116 Ų | 116 | 42% | 0.419 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.7 | -39.1 | 172.3 | -77.3 | -65.9 | 172.2 | 0 | 0 | 113 | Y17 V18 L19 K24 K25 | Y17-M21 HydrophobicContact CE1-CG 4.4Å; Y17-M21 HydrophobicContact CE2-CE 3.89Å; Y17-M21 WeakPolarHBondContact O-CG 3.38Å; Y17-M21 PolarHBondContact O-N 3.28Å; Y17-M21 VanDerWaalsContact O-N 3.15Å; V18-M21 PolarHBondContact O-N 3.22Å; L19-M21 PolarHBondContact O-N 3.18Å; M21-K24 PolarHBondContact O-N 3.02Å; M21-K25 PolarHBondContact O-N 3.01Å |
| 22 | C | 59.4 | Low | 60.7 | Low | 73 Ų | 73 | 122.4 Ų | 122.4 | 49% | 0.493 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.2 | -40.1 | 174.8 | -72.8 | 0 | 0 | 0 | 0 | 112.4 | V18 L19 | V18-C22 PolarHBondContact O-N 3.39Å; V18-C22 PolarHBondContact O-SG 2.95Å; V18-C22 VanDerWaalsContact O-SG 3.39Å; L19-C22 PolarHBondContact O-N 3.35Å |
| 23 | I | 60.9 | Low | 59.9 | Low | 102 Ų | 102 | 123.8 Ų | 123.8 | 52% | 0.523 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.4 | -45.8 | 174.8 | -66.6 | 164.1 | 0 | 0 | 0 | 110.5 | L19 T20 K25 K26 | L19-I23 HydrophobicContact CD1-CD1 4.5Å; L19-I23 HydrophobicContact CG-CD1 4.22Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 3.02Å; T20-I23 PolarHBondContact O-N 3.45Å; I23-K25 VanDerWaalsContact C-N 3.27Å; I23-K25 PolarHBondContact O-N 2.8Å; I23-K26 PolarHBondContact O-N 3.26Å |
| 24 | K | 55.5 | Low | 58.7 | Low | 151 Ų | 151 | 123.3 Ų | 123.3 | 66% | 0.657 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.5 | -27.4 | -177.4 | -165.9 | 169.2 | -176 | 174.1 | 0 | 113.7 | T20 M21 | T20-K24 WeakPolarHBondContact O-CB 3.15Å; T20-K24 PolarHBondContact O-N 2.94Å; M21-K24 PolarHBondContact O-N 3.02Å |
| 25 | K | 57 | Low | 58.1 | Low | 175 Ų | 175 | 124.1 Ų | 124.1 | 76% | 0.761 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70 | -32.1 | 171.7 | -83.2 | -173.9 | 172.9 | -179.4 | 0 | 113.5 | M21 I23 T27 | M21-K25 PolarHBondContact O-N 3.01Å; I23-K25 VanDerWaalsContact C-N 3.27Å; I23-K25 PolarHBondContact O-N 2.8Å; K25-T27 PolarHBondContact O-N 3.35Å |
| 26 | K | 54.1 | Low | 57.2 | Low | 184 Ų | 184 | 128 Ų | 128 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.8 | -13.9 | -174.2 | -72.4 | -172.7 | 175.5 | -176.2 | 0 | 114.8 | I23 | I23-K26 PolarHBondContact O-N 3.26Å |
| 27 | T | 57.4 | Low | 55.8 | Low | 104 Ų | 104 | 126.4 Ų | 126.4 | 64% | 0.638 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -3.2 | 179.2 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | K25 S29 | K25-T27 PolarHBondContact O-N 3.35Å; T27-S29 PolarHBondContact O-N 3.44Å |
| 28 | S | 53.4 | Low | 54.8 | Low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 25.4 | -177.9 | -168.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 29 | S | 54.3 | Low | 53.7 | Low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 30.8 | -176.8 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | T27 | T27-S29 PolarHBondContact O-N 3.44Š|
| 30 | K | 51.9 | Low | 52.7 | Low | 201 Ų | 201 | 132.8 Ų | 132.8 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | | | trans | -77.3 | 123.8 | 165.4 | -102.3 | 179.6 | 175.5 | 177.5 | 0 | 110 | | |
| 31 | S | 50.1 | Low | 52.2 | Low | 93 Ų | 93 | 134.5 Ų | 134.5 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | | | trans | -59 | 142.8 | 180 | 44.8 | 0 | 0 | 0 | 0 | 112.2 | L33 | S31-L33 PolarHBondContact O-N 3.11Š|
| 32 | R | 43.9 | Very low | 51.4 | Low | 255 Ų | 255 | 135.2 Ų | 135.2 | 96% | 0.962 | 76% | 0.756 | S | S | * | * | | | trans | -73.7 | 78.2 | 164 | -73.7 | -172.9 | 174 | -160.8 | -0.1 | 109.5 | S34 | R32-S34 PolarHBondContact O-N 3.25Š|
| 33 | L | 48 | Very low | 51.2 | Low | 149 Ų | 149 | 136.8 Ų | 136.8 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | | | trans | -63.1 | 124.3 | 161.1 | -91.4 | 147.1 | 0 | 0 | 0 | 108.4 | S31 | S31-L33 PolarHBondContact O-N 3.11Š|
| 34 | S | 41.5 | Very low | 50.8 | Low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | trans | -69.3 | 133.7 | 179.2 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | R32 N36 | R32-S34 PolarHBondContact O-N 3.25Å; S34-N36 VanDerWaalsContact C-N 3.27Å; S34-N36 PolarHBondContact O-N 3.18Å |
| 35 | P | 55.3 | Low | 50.5 | Low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -83.2 | 66.9 | 180 | 35 | -35.7 | 0 | 0 | 0 | 111.6 | | |
| 36 | N | 50.7 | Low | 49.9 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | -175.6 | 134.2 | 155.9 | -97.9 | -32.8 | 0 | 0 | 0 | 110 | S34 | S34-N36 VanDerWaalsContact C-N 3.27Å; S34-N36 PolarHBondContact O-N 3.18Å |
| 37 | G | 40.3 | Very low | 49.5 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | 143.8 | 52.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 38 | T | 53.1 | Low | 49.2 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -66.9 | 139.2 | 146.3 | 39.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 39 | P | 47.8 | Very low | 48.6 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | | | | -142.7 | 160.5 | 56.8 | 38.7 | -20.4 | 0 | 0 | 0 | 117.9 | | |
| 40 | K | 47.2 | Very low | 48.3 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | | | trans | -101.8 | 164.1 | 138.6 | -99.7 | -175.6 | 175.5 | -179.2 | 0 | 107.2 | | |
| 41 | P | 54.3 | Low | 47.7 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | cis | -127 | 171.7 | 8.2 | 41.2 | -27.5 | 0 | 0 | 0 | 114.7 | | |
| 42 | A | 44.2 | Very low | 47.4 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | | | trans | -153 | 98.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 43 | S | 55.1 | Low | 47.5 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -91.2 | 121.7 | 165.8 | 49.4 | 0 | 0 | 0 | 0 | 108.6 | A45 | S43-A45 PolarHBondContact O-N 3.34Å; S43-A45 VanDerWaalsContact O-N 3.12Å |
| 44 | P | 51.1 | Low | 47.1 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -70.2 | 109.5 | 176 | 28.3 | -32.7 | 0 | 0 | 0 | 109.7 | | |
| 45 | A | 49.1 | Very low | 47.2 | Very low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -81 | 121.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S43 | S43-A45 PolarHBondContact O-N 3.34Å; S43-A45 VanDerWaalsContact O-N 3.12Å |
| 46 | L | 46.1 | Very low | 46.4 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | trans | -140.5 | 106.2 | 170.4 | -76.2 | 179.7 | 0 | 0 | 0 | 110.6 | | |
| 47 | S | 44.9 | Very low | 46 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -161.2 | 160.6 | 163.8 | 55.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 48 | P | 50.5 | Low | 46.2 | Very low | 107 Ų | 107 | 138 Ų | 138 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | | | cis | -116.1 | 172.7 | -0.4 | 40.9 | -30 | 0 | 0 | 0 | 113.4 | | |
| 49 | L | 41.4 | Very low | 45.9 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -158.1 | 77.5 | 151.8 | -121.7 | 170.2 | 0 | 0 | 0 | 110.5 | L51 | L49-L51 PolarHBondContact O-N 3.41Š|
| 50 | D | 46.9 | Very low | 45.9 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | trans | -74 | 112.9 | 171.7 | -83 | -58.5 | 0 | 0 | 0 | 110.9 | | |
| 51 | L | 39.3 | Very low | 45.5 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | -149.2 | 89.8 | 154.4 | -80.6 | -171.2 | 0 | 0 | 0 | 110.9 | L49 | L49-L51 PolarHBondContact O-N 3.41Š|
| 52 | T | 44 | Very low | 44.8 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | -98.8 | 166 | 152.9 | 58.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 53 | P | 46.2 | Very low | 44.6 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | cis | -130.1 | 162.2 | 5.7 | 40.7 | -25.7 | 0 | 0 | 0 | 115.6 | | |
| 54 | A | 39.9 | Very low | 44.2 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | | | trans | -95.7 | 132.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 55 | K | 43.3 | Very low | 43.6 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | | | trans | -129.3 | 143.5 | -169 | -167.8 | 179.2 | -174.5 | 173.8 | 0 | 109.9 | | |
| 56 | K | 39.8 | Very low | 43.4 | Very low | 189 Ų | 189 | 153.5 Ų | 153.5 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | 74.5 | 153.1 | -174.6 | -51.2 | -175 | 178.5 | -175 | 0 | 111.8 | | |
| 57 | V | 41.2 | Very low | 42.9 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | cis | -117.6 | 135 | 22.2 | 177.1 | 0 | 0 | 0 | 0 | 113.4 | E59 | V57-E59 HydrophobicContact CG1-CB 4.37Š|
| 58 | E | 45 | Very low | 42.6 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -89 | 130.7 | 157.6 | -61.2 | 166.3 | 124.1 | 0 | 0 | 107.9 | | |
| 59 | E | 46.7 | Very low | 41.7 | Very low | 157 Ų | 157 | 153.7 Ų | 153.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -135 | 110.5 | 168.7 | -170.4 | 140 | -132.3 | 0 | 0 | 111.6 | V57 | V57-E59 HydrophobicContact CG1-CB 4.37Š|
| 60 | K | 47.2 | Very low | 41.8 | Very low | 171 Ų | 171 | 152.9 Ų | 152.9 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | 18 | 120.4 | 148.3 | -60.1 | 169.4 | -174.4 | 167.5 | 0 | 116.8 | | |
| 61 | V | 38.4 | Very low | 42 | Very low | 135 Ų | 135 | 151.1 Ų | 151.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | cis | 57.4 | 102.7 | 47.2 | -169.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 62 | I | 41.2 | Very low | 41.9 | Very low | 147 Ų | 147 | 152 Ų | 152 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | -170.5 | 114.5 | 140.9 | -95.6 | 149.9 | 0 | 0 | 0 | 103.3 | | |
| 63 | E | 39.9 | Very low | 41.5 | Very low | 152 Ų | 152 | 153 Ų | 153 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | | | | 63.3 | 140.6 | 92.8 | -91.4 | 178.4 | 152.7 | 0 | 0 | 113.3 | | |
| 64 | E | 45.2 | Very low | 41.1 | Very low | 191 Ų | 191 | 153.8 Ų | 153.8 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | cis | -120.7 | 158.4 | 34.7 | -58.8 | 179.6 | 136.1 | 0 | 0 | 115.7 | | |
| 65 | K | 40.2 | Very low | 41.1 | Very low | 163 Ų | 163 | 157.2 Ų | 157.2 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | | | trans | -89.8 | 144.4 | 162.7 | -63.1 | 166.2 | -176.8 | 158.4 | 0 | 109.3 | V67 | K65-V67 HydrophobicContact CB-CG2 3.83Å; K65-V67 HydrophobicContact CD-CG2 4.13Å |
| 66 | K | 43.3 | Very low | 41 | Very low | 213 Ų | 213 | 156.4 Ų | 156.4 | 93% | 0.926 | 76% | 0.76 | S | S | * | * | | | trans | -106 | 109.2 | 149.1 | -159.4 | 168.9 | -172.1 | 175.9 | 0 | 108.9 | | |
| 67 | V | 36.3 | Very low | 41.4 | Very low | 104 Ų | 104 | 152.5 Ų | 152.5 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | | | trans | -89.7 | 169 | -179.9 | -168 | 0 | 0 | 0 | 0 | 109.2 | K65 | K65-V67 HydrophobicContact CB-CG2 3.83Å; K65-V67 HydrophobicContact CD-CG2 4.13Å |
| 68 | E | 37.5 | Very low | 41.5 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | | | trans | 85.1 | 131 | 167.3 | -57 | -161.5 | 104.5 | 0 | 0 | 116.8 | | |
| 69 | N | 33.4 | Very low | 41.5 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | | | cis | -148.1 | 136.7 | -4.5 | -111.1 | -28.7 | 0 | 0 | 0 | 113.9 | | |
| 70 | N | 43.8 | Very low | 41.3 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | trans | -120.8 | 139.1 | 156.9 | -115.9 | -23.4 | 0 | 0 | 0 | 104.2 | | |
| 71 | P | 49.8 | Very low | 40.9 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | | -158.4 | 153.2 | 79.4 | 39.2 | -19.9 | 0 | 0 | 0 | 118 | | |
| 72 | K | 37 | Very low | 40.9 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | | 156.7 | 137.2 | 129.6 | -88.7 | 168.2 | -178.9 | 176.6 | 0 | 109.5 | | |
| 73 | K | 37 | Very low | 41.1 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 65% | 0.648 | 75% | 0.748 | S | S | * | * | | | cis | -154.2 | 173.6 | -4.6 | -140.5 | -177.9 | -171.7 | -78 | 0 | 108.4 | | |
| 74 | E | 37.1 | Very low | 41.2 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 58% | 0.584 | 75% | 0.75 | S | S | * | * | | | trans | -11.3 | 144.6 | 159.6 | -65.8 | 126.8 | -140.7 | 0 | 0 | 118 | | |
| 75 | E | 39.4 | Very low | 41.2 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | | | cis | -158.9 | 152.6 | 7.2 | -117.9 | 160.2 | -162.6 | 0 | 0 | 110.9 | | |
| 76 | E | 41.6 | Very low | 41.2 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | | | trans | -102.4 | 169.8 | 166 | -113.2 | -161.1 | -129.8 | 0 | 0 | 108.7 | | |
| 77 | P | 49.1 | Very low | 41 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | cis | -144.5 | 147 | 26.6 | 38.8 | -17.5 | 0 | 0 | 0 | 119.1 | | |
| 78 | V | 42 | Very low | 41.5 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 64% | 0.642 | 74% | 0.737 | S | S | * | * | | | | 61.5 | 132.2 | 129.9 | 176.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 79 | K | 46 | Very low | 42 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | trans | 104.7 | 168.4 | 163.1 | -79.5 | 153.2 | -173.7 | 173.2 | 0 | 118 | | |
| 80 | D | 41.3 | Very low | 42.7 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | | | trans | 76.3 | 149.3 | -173.6 | -56.7 | -13.6 | 0 | 0 | 0 | 116.5 | | |
| 81 | G | 39.2 | Very low | 42.8 | Very low | 67 Ų | 67 | 146.1 Ų | 146.1 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | cis | 127.3 | 79.5 | -12.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 82 | K | 39.6 | Very low | 42.5 | Very low | 188 Ų | 188 | 146 Ų | 146 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | | | trans | -176.3 | 145.7 | 158.5 | -99.9 | 161 | 176.4 | 179.2 | 0 | 108.4 | | |
| 83 | E | 45 | Very low | 42.7 | Very low | 161 Ų | 161 | 142 Ų | 142 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | | | cis | 98.5 | 160 | 33.4 | -161.4 | 177.5 | -145.5 | 0 | 0 | 113 | | |
| 84 | V | 41.5 | Very low | 42.9 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | | | trans | 87.6 | 103.9 | -178.4 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 85 | V | 45.5 | Very low | 43.3 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | | | | 72.8 | 135.2 | 59.2 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 86 | Q | 39.6 | Very low | 44.1 | Very low | 166 Ų | 166 | 147 Ų | 147 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | cis | -132.9 | -178.3 | 28.1 | -133 | 128.4 | 35.9 | 0 | 0 | 110.5 | | |
| 87 | D | 40.5 | Very low | 44.2 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | | | | -162.7 | 167.7 | 51.2 | -120.2 | -35.4 | 0 | 0 | 0 | 115.5 | | |
| 88 | Q | 46.2 | Very low | 44.3 | Very low | 140 Ų | 140 | 147.5 Ų | 147.5 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | | | trans | -141.1 | 154.4 | 170 | -83.2 | -164.9 | -8.9 | 0 | 0 | 111.6 | | |
| 89 | P | 48.7 | Very low | 44.7 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | trans | -105.9 | 155 | 144.6 | 34.6 | -29.1 | 0 | 0 | 0 | 112.5 | | |
| 90 | K | 48 | Very low | 45 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | trans | -135.6 | 169.7 | 178.9 | -72.6 | -174.6 | 179.5 | 178.2 | 0 | 111.2 | | |
| 91 | K | 45.9 | Very low | 45.4 | Very low | 202 Ų | 202 | 151.8 Ų | 151.8 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | | | trans | 80 | 155.7 | 173.9 | -48.5 | 172.6 | -176.7 | 176.1 | 0 | 112.6 | | |
| 92 | S | 41.8 | Very low | 45.8 | Very low | 107 Ų | 107 | 156.2 Ų | 156.2 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | cis | -171.6 | 160.4 | -5 | 29.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 93 | S | 42.7 | Very low | 46.2 | Very low | 99 Ų | 99 | 157 Ų | 157 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | cis | -177.2 | 177.9 | -13.8 | 55.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 94 | R | 41.4 | Very low | 46.3 | Very low | 217 Ų | 217 | 155.5 Ų | 155.5 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | | | trans | 65.5 | 165.6 | -177.9 | -78.9 | 170.5 | 142.2 | 113.6 | -2 | 113.2 | | |
| 95 | E | 44.6 | Very low | 46.5 | Very low | 143 Ų | 143 | 154 Ų | 154 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | | | cis | -135.1 | 174.2 | 9.2 | -154 | 91.2 | -111.6 | 0 | 0 | 110.7 | | |
| 96 | K | 55.5 | Low | 46.8 | Very low | 199 Ų | 199 | 155.7 Ų | 155.7 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | | | trans | -127 | 120.1 | 163.8 | -76.4 | -175.5 | 177.8 | -178.5 | 0 | 109.3 | | |
| 97 | D | 44 | Very low | 46.8 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | | | trans | -141.9 | 127.5 | 161.7 | -95.5 | -37 | 0 | 0 | 0 | 107.7 | | |
| 98 | M | 51.6 | Low | 47.5 | Very low | 156 Ų | 156 | 158 Ų | 158 | 77% | 0.768 | 79% | 0.79 | S | S | * | * | | | | 63.1 | 110.2 | 79.4 | -65.5 | -142.8 | -62.1 | 0 | 0 | 111.8 | | |
| 99 | M | 50.2 | Low | 47.6 | Very low | 174 Ų | 174 | 157 Ų | 157 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | | -161.2 | 169.4 | 62.5 | -90.5 | 179.4 | -90.6 | 0 | 0 | 113.1 | | |
| 100 | L | 51.3 | Low | 47.2 | Very low | 156 Ų | 156 | 154.5 Ų | 154.5 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | -67.4 | 149 | 168.7 | -73.7 | 68.8 | 0 | 0 | 0 | 111.6 | | |
| 101 | K | 50.1 | Low | 47 | Very low | 213 Ų | 213 | 153.9 Ų | 153.9 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | | | trans | -149 | 93 | 133 | -114.8 | 159.4 | -169.9 | 169.9 | 0 | 112 | | |
| 102 | E | 48.3 | Very low | 47.2 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | -43.9 | 135.6 | 155.2 | 167.2 | -174.5 | -121.1 | 0 | 0 | 111.8 | | |
| 103 | K | 47.1 | Very low | 47.5 | Very low | 204 Ų | 204 | 152.7 Ų | 152.7 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | trans | -162.7 | 123.4 | 133.9 | -110.2 | 169.2 | -174 | -171.2 | 0 | 112 | | |
| 104 | T | 47.4 | Very low | 47.8 | Very low | 130 Ų | 130 | 157.5 Ų | 157.5 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | | | trans | -79.7 | 141.8 | 175 | 47.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 105 | A | 45.6 | Very low | 48 | Very low | 89 Ų | 89 | 155.8 Ų | 155.8 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -159.8 | 107.8 | 142.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 106 | I | 51.6 | Low | 48.1 | Very low | 147 Ų | 147 | 159 Ų | 159 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | | | trans | -128.6 | 97.1 | 161.1 | -62.9 | 178 | 0 | 0 | 0 | 105.5 | F108 | I106-F108 HydrophobicContact CG2-CD2 3.76Å; I106-F108 HydrophobicContact CG2-CE2 4.29Å |
| 107 | D | 40.9 | Very low | 47.4 | Very low | 157 Ų | 157 | 157.1 Ų | 157.1 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | | | trans | -96.1 | 93.6 | 171.6 | -75.4 | -31.3 | 0 | 0 | 0 | 109.4 | | |
| 108 | F | 54.4 | Low | 47.2 | Very low | 203 Ų | 203 | 156.9 Ų | 156.9 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | | | trans | -87.3 | 110.4 | 156.9 | -95.5 | -93.1 | 0 | 0 | 0 | 107.9 | I106 | I106-F108 HydrophobicContact CG2-CD2 3.76Å; I106-F108 HydrophobicContact CG2-CE2 4.29Å |
| 109 | S | 48.6 | Very low | 46.7 | Very low | 120 Ų | 120 | 156.3 Ų | 156.3 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -117.2 | 126.9 | 167.4 | 56.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 110 | G | 39.4 | Very low | 46.4 | Very low | 77 Ų | 77 | 155.8 Ų | 155.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | 155 | 41.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D112 | G110-D112 PolarHBondContact O-N 3Š|
| 111 | D | 44.7 | Very low | 46.2 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -64.8 | 123.6 | 166.7 | -94.5 | -56.2 | 0 | 0 | 0 | 109.8 | | |
| 112 | D | 49.4 | Very low | 46.1 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -129.5 | 89.5 | 166.2 | -143 | -23.8 | 0 | 0 | 0 | 110.3 | G110 K114 | G110-D112 PolarHBondContact O-N 3Å; D112-K114 PolarHBondContact O-N 3.24Å |
| 113 | N | 48.1 | Very low | 46.2 | Very low | 131 Ų | 131 | 151.2 Ų | 151.2 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -74.1 | 113.4 | -171.1 | -103.8 | -78 | 0 | 0 | 0 | 112.5 | | |
| 114 | K | 50.6 | Low | 46.6 | Very low | 199 Ų | 199 | 147.4 Ų | 147.4 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -132.7 | 102.6 | 156.7 | -74.4 | -169.3 | 176.8 | 160.3 | 0 | 114.3 | D112 | D112-K114 PolarHBondContact O-N 3.24Š|
| 115 | K | 44.6 | Very low | 46.8 | Very low | 182 Ų | 182 | 151.5 Ų | 151.5 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -36.3 | 134.8 | 170.3 | -57.7 | 178 | 175.1 | -171.9 | 0 | 114.5 | | |
| 116 | K | 46.8 | Very low | 47.1 | Very low | 210 Ų | 210 | 152.7 Ų | 152.7 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -152 | 94.1 | 135.7 | -80.3 | -146.9 | 176.5 | -177.3 | 0 | 112.7 | | |
| 117 | E | 42 | Very low | 46.8 | Very low | 160 Ų | 160 | 150 Ų | 150 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -56.1 | 153.4 | 150.4 | -73.7 | 166 | 131.4 | 0 | 0 | 111 | | |
| 118 | T | 38.9 | Very low | 47.4 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | | | cis | -154.2 | -176.6 | -7.3 | -9.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 119 | M | 41.1 | Very low | 47.1 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | | | trans | -18.9 | 156.9 | 150.7 | -68.2 | 162.1 | 58.9 | 0 | 0 | 118.1 | | |
| 120 | Q | 43.2 | Very low | 47.2 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | cis | -160.1 | 177.8 | -0.7 | -124.1 | 175.6 | 5.8 | 0 | 0 | 113.2 | | |
| 121 | V | 46.8 | Very low | 47.7 | Very low | 133 Ų | 133 | 158.9 Ų | 158.9 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | | | trans | -55.9 | 139 | 169.3 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 122 | S | 49 | Very low | 48 | Very low | 86 Ų | 86 | 161.1 Ų | 161.1 | 60% | 0.601 | 81% | 0.808 | S | S | * | * | | | | -170.1 | 157.5 | 70.7 | 65.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 123 | K | 50.4 | Low | 48.1 | Very low | 216 Ų | 216 | 163.1 Ų | 163.1 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | | | trans | -103.5 | 89 | 168.7 | -72 | -174.9 | 178.7 | -179.3 | 0 | 110.1 | | |
| 124 | T | 55.7 | Low | 48.1 | Very low | 123 Ų | 123 | 162.5 Ų | 162.5 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | | | trans | -79.4 | 144.8 | 171.7 | 48 | 0 | 0 | 0 | 0 | 111.3 | S126 | T124-S126 PolarHBondContact O-N 3.27Š|
| 125 | K | 50.6 | Low | 48.1 | Very low | 216 Ų | 216 | 160.3 Ų | 160.3 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | | | trans | -97.8 | 82.9 | -172.2 | -172.7 | -176.4 | 179.9 | -175.3 | 0 | 110.2 | | |
| 126 | S | 52.7 | Low | 47.9 | Very low | 115 Ų | 115 | 158.1 Ų | 158.1 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 141.4 | -178.3 | -163.3 | 0 | 0 | 0 | 0 | 112.9 | T124 | T124-S126 PolarHBondContact O-N 3.27Š|
| 127 | A | 44.6 | Very low | 48.2 | Very low | 91 Ų | 91 | 157.9 Ų | 157.9 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 157.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 128 | R | 53.8 | Low | 48.4 | Very low | 249 Ų | 249 | 159.5 Ų | 159.5 | 94% | 0.94 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61 | 136.6 | 179.8 | -69 | 177.5 | 176.6 | 150.7 | -3.2 | 111.8 | | |
| 129 | N | 47.3 | Very low | 48.8 | Very low | 165 Ų | 165 | 159.2 Ų | 159.2 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | | | trans | -145 | -178.3 | 139.8 | -143 | -20.8 | 0 | 0 | 0 | 111.7 | | |
| 130 | N | 50.9 | Low | 48.9 | Very low | 138 Ų | 138 | 157.3 Ų | 157.3 | 74% | 0.738 | 83% | 0.83 | S | S | * | * | | | trans | -96.4 | 174.6 | -148.2 | -155.4 | -0.7 | 0 | 0 | 0 | 115.7 | | |
| 131 | K | 51.2 | Low | 48.9 | Very low | 190 Ų | 190 | 156.2 Ų | 156.2 | 83% | 0.826 | 84% | 0.835 | S | S | * | * | | | trans | -52.3 | 144.9 | -177.6 | -59.4 | 166 | 180 | 175.2 | 0 | 115.1 | | |
| 132 | Q | 49.6 | Very low | 49.1 | Very low | 200 Ų | 200 | 155.4 Ų | 155.4 | 94% | 0.935 | 83% | 0.833 | S | S | * | * | | | | -154.1 | 168.3 | 126.3 | -114.4 | 168.5 | -2.5 | 0 | 0 | 110.9 | | |
| 133 | K | 52 | Low | 48.5 | Very low | 196 Ų | 196 | 154.4 Ų | 154.4 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | | | trans | -113.2 | 146.9 | -179.6 | -67.1 | -175.9 | 176.6 | -171.9 | 0 | 110.7 | | |
| 134 | S | 48.1 | Very low | 47.9 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -164.5 | 123.7 | 150.2 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 135 | D | 50.1 | Low | 47.2 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -76.9 | 148.7 | 167.2 | -55.6 | -94.9 | 0 | 0 | 0 | 111 | | |
| 136 | V | 41.4 | Very low | 46.8 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | | | trans | -167.6 | 143.2 | 143.5 | 138.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 137 | K | 53.6 | Low | 46.5 | Very low | 204 Ų | 204 | 151 Ų | 151 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | | | trans | -101.8 | 141.5 | 166.6 | -66.3 | 178.1 | 179.8 | 177.7 | 0 | 108.5 | | |
| 138 | E | 45.5 | Very low | 46.6 | Very low | 194 Ų | 194 | 155 Ų | 155 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | | | trans | -148.9 | 156.6 | 156.3 | -155.4 | 151.5 | -132.3 | 0 | 0 | 110.8 | | |
| 139 | S | 47.3 | Very low | 46 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -149.1 | 129.8 | -165.7 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 140 | A | 42.6 | Very low | 46 | Very low | 103 Ų | 103 | 152.2 Ų | 152.2 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -158.8 | 118.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 141 | T | 43.7 | Very low | 45.8 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | | | trans | -144.2 | 141.2 | 146.5 | 8.4 | 0 | 0 | 0 | 0 | 104.9 | | |
| 142 | P | 50.6 | Low | 45.8 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | | | | -147.1 | -167.1 | 76.9 | 39.2 | -19.6 | 0 | 0 | 0 | 113.8 | | |
| 143 | G | 36.4 | Very low | 45.4 | Very low | 65 Ų | 65 | 150.8 Ų | 150.8 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | | | trans | 164.9 | 119.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 144 | E | 38.7 | Very low | 45 | Very low | 156 Ų | 156 | 151 Ų | 151 | 73% | 0.729 | 82% | 0.817 | S | S | * | * | | | trans | -143.6 | 160.9 | -170.2 | -53.8 | 74.9 | 28.9 | 0 | 0 | 110.3 | | |
| 145 | D | 42 | Very low | 44.5 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | | | cis | -123 | -115.5 | 2 | -155.2 | -30.3 | 0 | 0 | 0 | 111.8 | | |
| 146 | D | 40.8 | Very low | 44.4 | Very low | 123 Ų | 123 | 146 Ų | 146 | 66% | 0.658 | 81% | 0.812 | S | S | * | * | | | cis | -141 | 154.5 | 4.6 | 163.1 | 57.8 | 0 | 0 | 0 | 109.5 | K148 | D146-K148 IonicContact OD1-NZ 2.8Å; D146-K148 IonicContact OD2-NZ 3.38Å; D146-K148 PolarHBondContact OD2-NZ 2.85Å |
| 147 | E | 45.8 | Very low | 44.7 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 77% | 0.771 | 82% | 0.816 | S | S | * | * | | | trans | -84.9 | 138.6 | -179.8 | -65.2 | -169.1 | 139.4 | 0 | 0 | 114.4 | | |
| 148 | K | 47.4 | Very low | 44.3 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | | | trans | -166.4 | 119.5 | 145.4 | -93.6 | 128 | -152.8 | 131.1 | 0 | 112.3 | D146 | D146-K148 IonicContact OD1-NZ 2.8Å; D146-K148 IonicContact OD2-NZ 3.38Å; D146-K148 PolarHBondContact OD2-NZ 2.85Å |
| 149 | E | 42 | Very low | 44.5 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | | 175.6 | 103.4 | 106.3 | -177.6 | 135.9 | -121.5 | 0 | 0 | 112.7 | | |
| 150 | K | 46.6 | Very low | 44.4 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | | | trans | 25.8 | 114.4 | 148.4 | -59.5 | 166.1 | -173.1 | 156.5 | 0 | 119.4 | | |
| 151 | T | 46 | Very low | 44.4 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -81 | 151.7 | 160.4 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 152 | K | 51.3 | Low | 44.3 | Very low | 202 Ų | 202 | 145.6 Ų | 145.6 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | | | trans | -175.5 | 116.1 | 144.9 | -111.9 | -178.7 | -177.3 | -171.7 | 0 | 113.4 | | |
| 153 | T | 41.6 | Very low | 43.8 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 96% | 0.963 | 81% | 0.806 | S | S | * | * | | | | -166 | 165.6 | 127.6 | 21.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 154 | E | 44.4 | Very low | 44.1 | Very low | 200 Ų | 200 | 149.9 Ų | 149.9 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | | | trans | -130.7 | 148.8 | -160.4 | 178.5 | 177.2 | -162.8 | 0 | 0 | 110.7 | | |
| 155 | G | 37.9 | Very low | 44.8 | Very low | 74 Ų | 74 | 149.4 Ų | 149.4 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | trans | 177.9 | 124 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 156 | A | 48.1 | Very low | 45.2 | Very low | 91 Ų | 91 | 149.3 Ų | 149.3 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | | | trans | -157.2 | 170 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 157 | N | 45.6 | Very low | 46 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | | | trans | 90.3 | 125.6 | -179.8 | -50.7 | -38.2 | 0 | 0 | 0 | 115.5 | | |
| 158 | G | 45.8 | Very low | 46.5 | Very low | 71 Ų | 71 | 153.8 Ų | 153.8 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | | | cis | 134.9 | 144.9 | -15.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 159 | K | 49.6 | Very low | 47.2 | Very low | 202 Ų | 202 | 153.6 Ų | 153.6 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | | | trans | 67.5 | 159 | 164.3 | -64.7 | -164.5 | 173.8 | -166.6 | 0 | 117.3 | | |
| 160 | T | 46.5 | Very low | 47.9 | Very low | 104 Ų | 104 | 151.2 Ų | 151.2 | 64% | 0.638 | 82% | 0.824 | S | S | * | * | | | cis | -172.3 | 167.2 | -13.9 | 33.4 | 0 | 0 | 0 | 0 | 105.8 | | |
| 161 | D | 42.4 | Very low | 48.6 | Very low | 144 Ų | 144 | 148.8 Ų | 148.8 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | | | cis | -170.4 | -165.4 | -18.8 | -93.6 | 7.3 | 0 | 0 | 0 | 107.8 | | |
| 162 | E | 42 | Very low | 49.6 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | 85.7 | 129.5 | 154.7 | -82 | 176.6 | -177.8 | 0 | 0 | 125.1 | | |
| 163 | E | 38.5 | Very low | 50.4 | Low | 199 Ų | 199 | 140.3 Ų | 140.3 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | | | trans | 58 | 145.9 | 142.9 | -155.4 | 163.3 | -129.2 | 0 | 0 | 124.4 | | |
| 164 | G | 44.3 | Very low | 51.2 | Low | 72 Ų | 72 | 140.2 Ų | 140.2 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | trans | 127.5 | 125.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 165 | T | 52.4 | Low | 51.9 | Low | 146 Ų | 146 | 134.4 Ų | 134.4 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | | | trans | -105.9 | 124.3 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 166 | E | 50.2 | Low | 52.9 | Low | 153 Ų | 153 | 137.4 Ų | 137.4 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | | | trans | -153.8 | 120.5 | 160.6 | -139.7 | 175 | -130.3 | 0 | 0 | 111.7 | K168 | E166-K168 PolarHBondContact O-N 3.04Å; E166-K168 VanDerWaalsContact O-N 3.12Å; E166-K168 WeakPolarHBondContact OE2-CE 3.47Å; E166-K168 IonicContact OE2-NZ 3.65Å; E166-K168 PolarHBondContact OE2-NZ 3.41Å |
| 167 | K | 56.8 | Low | 53.5 | Low | 215 Ų | 215 | 137.9 Ų | 137.9 | 94% | 0.935 | 73% | 0.73 | S | S | * | * | | | trans | -81.3 | 87.4 | 175.1 | -78.7 | -173 | 178.6 | 178.3 | 0 | 110.2 | E169 | K167-E169 PolarHBondContact O-N 3.09Š|
| 168 | K | 57.8 | Low | 54.2 | Low | 167 Ų | 167 | 135.1 Ų | 135.1 | 73% | 0.726 | 71% | 0.711 | S | S | * | * | | | trans | -74.6 | 116.3 | 171.7 | -64.4 | -175.3 | 179.6 | 178.5 | 0 | 109.8 | E166 | E166-K168 PolarHBondContact O-N 3.04Å; E166-K168 VanDerWaalsContact O-N 3.12Å; E166-K168 WeakPolarHBondContact OE2-CE 3.47Å; E166-K168 IonicContact OE2-NZ 3.65Å; E166-K168 PolarHBondContact OE2-NZ 3.41Å |
| 169 | E | 60.9 | Low | 54.7 | Low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | | | trans | -60 | 135.8 | 166.1 | -65 | -167.1 | 150.4 | 0 | 0 | 109.1 | K167 T171 | K167-E169 PolarHBondContact O-N 3.09Å; E169-T171 VanDerWaalsContact C-N 3.33Å; E169-T171 PolarHBondContact O-N 3.15Å |
| 170 | P | 56.9 | Low | 55.2 | Low | 118 Ų | 118 | 134.5 Ų | 134.5 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | | | trans | -75.5 | 85 | -175.7 | 30.1 | -34.9 | 0 | 0 | 0 | 110.9 | M172 | P170-M172 PolarHBondContact O-N 3.4Š|
| 171 | T | 61.8 | Low | 56 | Low | 135 Ų | 135 | 138.8 Ų | 138.8 | 83% | 0.828 | 70% | 0.702 | S | S | * | * | | | trans | -59.3 | 106.6 | 169.9 | 35.7 | 0 | 0 | 0 | 0 | 110 | E169 T173 | E169-T171 VanDerWaalsContact C-N 3.33Å; E169-T171 PolarHBondContact O-N 3.15Å; T171-T173 PolarHBondContact O-N 3.08Å |
| 172 | M | 66.1 | Low | 56.9 | Low | 66 Ų | 66 | 139 Ų | 139 | 33% | 0.325 | 70% | 0.698 | S | S | . | * | | | trans | -60 | 123.6 | -178.4 | -64.3 | -86.1 | -83 | 0 | 0 | 110.2 | P170 R176 K177 L180 | P170-M172 PolarHBondContact O-N 3.4Å; M172-R176 HydrophobicContact CE-CB 4.5Å; M172-R176 HydrophobicContact CE-CG 3.74Å; M172-R176 HydrophobicContact SD-CG 4.28Å; M172-R176 VanDerWaalsContact SD-CZ 3.53Å; M172-R176 PolarHBondContact SD-NH1 2.99Å; M172-K177 HydrophobicContact CB-CG 4.42Å; M172-K177 WeakPolarHBondContact O-CE 3.35Å; M172-L180 HydrophobicContact CE-CD1 4.04Å |
| 173 | T | 68.9 | Low | 57.8 | Low | 97 Ų | 97 | 136.6 Ų | 136.6 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | | | trans | -60 | 153.5 | 175 | 53.9 | 0 | 0 | 0 | 0 | 111 | T171 S175 R176 K177 | T171-T173 PolarHBondContact O-N 3.08Å; T173-S175 PolarHBondContact O-N 3.4Å; T173-R176 WeakPolarHBondContact O-CA 3.47Å; T173-R176 WeakPolarHBondContact O-CB 3.39Å; T173-R176 PolarHBondContact O-N 3.41Å; T173-K177 PolarHBondContact O-N 3.41Å |
| 174 | E | 59 | Low | 59 | Low | 155 Ų | 155 | 131.1 Ų | 131.1 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.3 | -38.5 | -169.1 | -55.9 | -165.7 | 125.9 | 0 | 0 | 112.9 | R176 K177 E178 | E174-R176 PolarHBondContact O-N 3.46Å; E174-K177 WeakPolarHBondContact O-CA 3.42Å; E174-K177 WeakPolarHBondContact O-CB 3.42Å; E174-K177 PolarHBondContact O-N 3Å; E174-E178 PolarHBondContact O-N 3.33Å |
| 175 | S | 58.6 | Low | 59.8 | Low | 77 Ų | 77 | 133 Ų | 133 | 54% | 0.538 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -53.7 | -32.9 | 167.9 | 167.3 | 0 | 0 | 0 | 0 | 113.2 | T173 M179 | T173-S175 PolarHBondContact O-N 3.4Å; S175-M179 PolarHBondContact O-N 3.16Å |
| 176 | R | 58.1 | Low | 60.4 | Low | 138 Ų | 138 | 132.6 Ų | 132.6 | 52% | 0.521 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -82.2 | -14.1 | 176.2 | -159.6 | 175.9 | 174.3 | -160.3 | -2.9 | 113.4 | M172 T173 E174 M179 L180 | M172-R176 HydrophobicContact CE-CB 4.5Å; M172-R176 HydrophobicContact CE-CG 3.74Å; M172-R176 HydrophobicContact SD-CG 4.28Å; M172-R176 VanDerWaalsContact SD-CZ 3.53Å; M172-R176 PolarHBondContact SD-NH1 2.99Å; T173-R176 WeakPolarHBondContact O-CA 3.47Å; T173-R176 WeakPolarHBondContact O-CB 3.39Å; T173-R176 PolarHBondContact O-N 3.41Å; E174-R176 PolarHBondContact O-N 3.46Å; R176-M179 HydrophobicContact CB-CE 4.41Å; R176-M179 HydrophobicContact CG-CE 4.28Å; R176-L180 WeakPolarHBondContact O-CD1 3.38Å |
| 177 | K | 61 | Low | 61.1 | Low | 101 Ų | 101 | 134.4 Ų | 134.4 | 44% | 0.439 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -85.1 | -29.6 | 168.7 | -61.6 | 172.4 | -177.3 | 156.7 | 0 | 111.7 | M172 T173 E174 L180 | M172-K177 HydrophobicContact CB-CG 4.42Å; M172-K177 WeakPolarHBondContact O-CE 3.35Å; T173-K177 PolarHBondContact O-N 3.41Å; E174-K177 WeakPolarHBondContact O-CA 3.42Å; E174-K177 WeakPolarHBondContact O-CB 3.42Å; E174-K177 PolarHBondContact O-N 3Å; K177-L180 PolarHBondContact O-N 3.46Å |
| 178 | E | 59.9 | Low | 61.5 | Low | 116 Ų | 116 | 130.7 Ų | 130.7 | 54% | 0.542 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.3 | -53.5 | 178.5 | -171.3 | 163.3 | -132.5 | 0 | 0 | 111.7 | E174 L180 R181 | E174-E178 PolarHBondContact O-N 3.33Å; E178-L180 PolarHBondContact O-N 3.46Å; E178-R181 PolarHBondContact O-N 3.01Å |
| 179 | M | 58 | Low | 61.9 | Low | 126 Ų | 126 | 127 Ų | 127 | 62% | 0.621 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -13.4 | 175.5 | -66.8 | -174.8 | -71.1 | 0 | 0 | 115.1 | S175 R176 | S175-M179 PolarHBondContact O-N 3.16Å; R176-M179 HydrophobicContact CB-CE 4.41Å; R176-M179 HydrophobicContact CG-CE 4.28Å |
| 180 | L | 59.8 | Low | 62.1 | Low | 134 Ų | 134 | 127.8 Ų | 127.8 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 1.2 | 177.3 | -74.7 | 171.3 | 0 | 0 | 0 | 113.7 | M172 R176 K177 E178 | M172-L180 HydrophobicContact CE-CD1 4.04Å; R176-L180 WeakPolarHBondContact O-CD1 3.38Å; K177-L180 PolarHBondContact O-N 3.46Å; E178-L180 PolarHBondContact O-N 3.46Å |
| 181 | R | 62.1 | Low | 62.3 | Low | 193 Ų | 193 | 126.1 Ų | 126.1 | 73% | 0.728 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -20.7 | 178.3 | -68 | -175 | 174 | 123.1 | -5.7 | 114.5 | E178 D183 | E178-R181 PolarHBondContact O-N 3.01Å; R181-D183 PolarHBondContact O-N 3.48Å |
| 182 | E | 61.9 | Low | 62.3 | Low | 150 Ų | 150 | 126.5 Ų | 126.5 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -14.3 | -162.5 | -59.1 | -171.5 | 144.9 | 0 | 0 | 114.7 | | |
| 183 | D | 60.1 | Low | 62 | Low | 139 Ų | 139 | 126.7 Ų | 126.7 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.7 | 47.2 | -171.5 | -154.4 | 10.4 | 0 | 0 | 0 | 113.8 | R181 | R181-D183 PolarHBondContact O-N 3.48Š|
| 184 | D | 63.8 | Low | 62 | Low | 84 Ų | 84 | 131.5 Ų | 131.5 | 45% | 0.449 | 66% | 0.659 | S | S | . | * | | | trans | -99.5 | 27.9 | 172 | -153.2 | 23.1 | 0 | 0 | 0 | 113.1 | L186 R187 | D184-L186 PolarHBondContact O-N 3.49Å; D184-L186 VanDerWaalsContact O-N 3.12Å; D184-R187 WeakPolarHBondContact OD1-CD 3.45Å; D184-R187 VanDerWaalsContact OD1-CG 3.25Å; D184-R187 WeakPolarHBondContact OD1-CG 3.29Å; D184-R187 IonicContact OD1-CZ 3.12Å; D184-R187 IonicContact OD1-NE 3.38Å; D184-R187 PolarHBondContact OD1-NE 3.29Å; D184-R187 IonicContact OD1-NH1 3.57Å; D184-R187 IonicContact OD1-NH2 2.74Å; D184-R187 VanDerWaalsContact OD2-CD 3.32Å; D184-R187 WeakPolarHBondContact OD2-CD 3.4Å; D184-R187 IonicContact OD2-CZ 3.16Å; D184-R187 IonicContact OD2-NE 3.68Å; D184-R187 PolarHBondContact OD2-NE 3Å; D184-R187 IonicContact OD2-NH1 2.72Å; D184-R187 PolarHBondContact OD2-NH1 2.99Å |
| 185 | T | 62.8 | Low | 62.4 | Low | 110 Ų | 110 | 135.7 Ų | 135.7 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -3.8 | -170.8 | 57.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 186 | L | 63.5 | Low | 62.7 | Low | 139 Ų | 139 | 141.2 Ų | 141.2 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 0.2 | -168 | -64.8 | 178.6 | 0 | 0 | 0 | 115.9 | D184 D188 | D184-L186 PolarHBondContact O-N 3.49Å; D184-L186 VanDerWaalsContact O-N 3.12Å; L186-D188 PolarHBondContact O-N 3.08Å |
| 187 | R | 66.4 | Low | 63 | Low | 191 Ų | 191 | 143.1 Ų | 143.1 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -25.9 | -171.5 | -81.6 | -173 | -175.4 | 160.6 | -0.9 | 116.4 | D184 | D184-R187 WeakPolarHBondContact OD1-CD 3.45Å; D184-R187 VanDerWaalsContact OD1-CG 3.25Å; D184-R187 WeakPolarHBondContact OD1-CG 3.29Å; D184-R187 IonicContact OD1-CZ 3.12Å; D184-R187 IonicContact OD1-NE 3.38Å; D184-R187 PolarHBondContact OD1-NE 3.29Å; D184-R187 IonicContact OD1-NH1 3.57Å; D184-R187 IonicContact OD1-NH2 2.74Å; D184-R187 VanDerWaalsContact OD2-CD 3.32Å; D184-R187 WeakPolarHBondContact OD2-CD 3.4Å; D184-R187 IonicContact OD2-CZ 3.16Å; D184-R187 IonicContact OD2-NE 3.68Å; D184-R187 PolarHBondContact OD2-NE 3Å; D184-R187 IonicContact OD2-NH1 2.72Å; D184-R187 PolarHBondContact OD2-NH1 2.99Å |
| 188 | D | 64.8 | Low | 63.2 | Low | 136 Ų | 136 | 147.8 Ų | 147.8 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 45.1 | -168.1 | -155.6 | 17.4 | 0 | 0 | 0 | 115.5 | L186 K190 | L186-D188 PolarHBondContact O-N 3.08Å; D188-K190 PolarHBondContact O-N 3.13Å |
| 189 | T | 64.9 | Low | 62.8 | Low | 91 Ų | 91 | 154 Ų | 154 | 56% | 0.558 | 75% | 0.746 | S | S | * | * | | | trans | -82 | 7 | 174.8 | 49 | 0 | 0 | 0 | 0 | 114 | S191 I192 | T189-S191 PolarHBondContact O-N 3.05Å; T189-S191 VanDerWaalsContact O-N 3.12Å; T189-I192 HydrophobicContact CG2-CD1 4.39Å |
| 190 | K | 66.2 | Low | 63 | Low | 187 Ų | 187 | 155.4 Ų | 155.4 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -8.8 | -171.2 | -71.4 | -178.5 | 179.8 | 173.7 | 0 | 115.4 | D188 | D188-K190 PolarHBondContact O-N 3.13Š|
| 191 | S | 61 | Low | 63.2 | Low | 84 Ų | 84 | 156.5 Ų | 156.5 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -22.4 | -176 | 56.7 | 0 | 0 | 0 | 0 | 114.9 | T189 G193 K194 | T189-S191 PolarHBondContact O-N 3.05Å; T189-S191 VanDerWaalsContact O-N 3.12Å; S191-G193 PolarHBondContact O-N 3.42Å; S191-K194 PolarHBondContact O-N 3.17Å |
| 192 | I | 61.7 | Low | 63.3 | Low | 143 Ų | 143 | 154.4 Ų | 154.4 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -17.7 | -166.3 | -66.8 | 173.1 | 0 | 0 | 0 | 114.1 | T189 | T189-I192 HydrophobicContact CG2-CD1 4.39Š|
| 193 | G | 60.6 | Low | 63.3 | Low | 70 Ų | 70 | 154.7 Ų | 154.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -14 | -175.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | S191 R195 | S191-G193 PolarHBondContact O-N 3.42Å; G193-R195 PolarHBondContact O-N 2.74Å |
| 194 | K | 67.5 | Low | 63.5 | Low | 197 Ų | 197 | 155.7 Ų | 155.7 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | | | trans | -80.9 | 73.7 | -170.1 | -72.6 | -168.2 | 177.5 | -177.9 | 0 | 113.7 | S191 | S191-K194 PolarHBondContact O-N 3.17Š|
| 195 | R | 67.9 | Low | 63.5 | Low | 243 Ų | 243 | 160.5 Ų | 160.5 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 139 | 162.8 | -66.8 | -176.6 | 178.7 | 177.7 | -0.2 | 109.9 | G193 | G193-R195 PolarHBondContact O-N 2.74Š|
| 196 | Q | 65.4 | Low | 63.6 | Low | 194 Ų | 194 | 164.1 Ų | 164.1 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.1 | -179.8 | -71.8 | 164.1 | -40.2 | 0 | 0 | 111.3 | | |
| 197 | K | 64.5 | Low | 63.6 | Low | 177 Ų | 177 | 166 Ų | 166 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 138.2 | 168.6 | -175 | -163.4 | 168.2 | -149.2 | 0 | 108 | | |
| 198 | K | 65.2 | Low | 63.4 | Low | 199 Ų | 199 | 163.9 Ų | 163.9 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 143.3 | 170.1 | -68 | -173.6 | 177.4 | -172.9 | 0 | 110.4 | | |
| 199 | E | 50.6 | Low | 63.2 | Low | 246 Ų | 246 | 166.5 Ų | 166.5 | 100% | 1.15 | 81% | 0.807 | S | S | * | * | | | trans | -139.9 | 0 | 163.7 | -158 | 144.9 | -105.3 | 0 | 0 | 106.6 | | |