| 1 | M | 62 | Low | 78.3 | Confident | 212 Ų | 212 | 143.2 Ų | 143.2 | 100% | 1.044 | 67% | 0.672 | S | S | * | * | | | | 0 | -33.6 | 0 | -83.3 | -179.8 | 180 | 0 | 0 | 112.9 | F3 Q4 N5 | M1-F3 PolarHBondContact O-N 3.01Å; M1-Q4 PolarHBondContact O-N 3.04Å; M1-N5 PolarHBondContact O-N 2.88Å |
| 2 | E | 71.4 | Confident | 79 | Confident | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.8 | -37.5 | -176.2 | -61.8 | -178.1 | 122.5 | 0 | 0 | 114.5 | Q4 N5 M6 | E2-Q4 PolarHBondContact O-N 2.99Å; E2-N5 WeakPolarHBondContact O-CB 3.2Å; E2-N5 PolarHBondContact O-N 2.95Å; E2-M6 PolarHBondContact O-N 3.21Å |
| 3 | F | 69.4 | Low | 79.7 | Confident | 173 Ų | 173 | 133.8 Ų | 133.8 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64 | -36.8 | 177.4 | -100 | -85.4 | 0 | 0 | 0 | 113.8 | M1 M6 Y7 | M1-F3 PolarHBondContact O-N 3.01Å; F3-M6 HydrophobicContact CD1-CE 4.32Å; F3-M6 HydrophobicContact CE1-CE 4.31Å; F3-Y7 PolarHBondContact O-N 3.05Å |
| 4 | Q | 73.6 | Confident | 80.3 | Confident | 144 Ų | 144 | 129.2 Ų | 129.2 | 67% | 0.673 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.8 | -36.8 | 175.2 | -77 | -170.1 | -35.4 | 0 | 0 | 111.4 | M1 E2 Y7 I8 | M1-Q4 PolarHBondContact O-N 3.04Å; E2-Q4 PolarHBondContact O-N 2.99Å; Q4-Y7 PolarHBondContact O-N 2.85Å; Q4-I8 WeakPolarHBondContact O-CD1 3.33Å; Q4-I8 VanDerWaalsContact O-CG1 3.26Å; Q4-I8 WeakPolarHBondContact O-CG1 3.31Å; Q4-I8 PolarHBondContact O-N 3.11Å |
| 5 | N | 77.5 | Confident | 80.9 | Confident | 91 Ų | 91 | 129.2 Ų | 129.2 | 49% | 0.487 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.7 | -42.3 | 176.9 | -168.7 | 36.7 | 0 | 0 | 0 | 112 | M1 E2 Y7 I8 Q9 | M1-N5 PolarHBondContact O-N 2.88Å; E2-N5 WeakPolarHBondContact O-CB 3.2Å; E2-N5 PolarHBondContact O-N 2.95Å; N5-Y7 VanDerWaalsContact C-N 3.3Å; N5-Y7 PolarHBondContact O-N 2.7Å; N5-I8 PolarHBondContact O-N 3.47Å; N5-Q9 WeakPolarHBondContact O-CG 3.42Å; N5-Q9 PolarHBondContact O-N 3.07Å |
| 6 | M | 82.5 | Confident | 81.4 | Confident | 107 Ų | 107 | 128.8 Ų | 128.8 | 53% | 0.527 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.2 | -40.7 | 174.7 | -171.2 | -176 | 77.2 | 0 | 0 | 111.8 | E2 F3 Q9 L10 | E2-M6 PolarHBondContact O-N 3.21Å; F3-M6 HydrophobicContact CD1-CE 4.32Å; F3-M6 HydrophobicContact CE1-CE 4.31Å; M6-Q9 PolarHBondContact O-N 2.82Å; M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 PolarHBondContact O-N 2.87Å |
| 7 | Y | 83.1 | Confident | 82 | Confident | 168 Ų | 168 | 125.7 Ų | 125.7 | 66% | 0.659 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.9 | -40.9 | 179.1 | -129.8 | -85.9 | 0 | 0 | 0 | 112.6 | F3 Q4 N5 L10 F11 | F3-Y7 PolarHBondContact O-N 3.05Å; Q4-Y7 PolarHBondContact O-N 2.85Å; N5-Y7 VanDerWaalsContact C-N 3.3Å; N5-Y7 PolarHBondContact O-N 2.7Å; Y7-L10 PolarHBondContact O-N 3.49Å; Y7-F11 VanDerWaalsContact O-CB 3.29Å; Y7-F11 WeakPolarHBondContact O-CB 3.3Å; Y7-F11 PolarHBondContact O-N 2.89Å |
| 8 | I | 85.3 | Confident | 82.6 | Confident | 118 Ų | 118 | 123.8 Ų | 123.8 | 61% | 0.605 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65 | -42.4 | 177 | -68.9 | 162.3 | 0 | 0 | 0 | 110.5 | Q4 N5 F11 G12 | Q4-I8 WeakPolarHBondContact O-CD1 3.33Å; Q4-I8 VanDerWaalsContact O-CG1 3.26Å; Q4-I8 WeakPolarHBondContact O-CG1 3.31Å; Q4-I8 PolarHBondContact O-N 3.11Å; N5-I8 PolarHBondContact O-N 3.47Å; I8-F11 PolarHBondContact O-N 2.74Å; I8-G12 PolarHBondContact O-N 3.16Å |
| 9 | Q | 83.7 | Confident | 83.1 | Confident | 131 Ų | 131 | 120.7 Ų | 120.7 | 61% | 0.612 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.2 | -44 | 175.7 | -76.1 | -171.3 | -17.4 | 0 | 0 | 112.4 | N5 M6 F11 G12 F13 | N5-Q9 WeakPolarHBondContact O-CG 3.42Å; N5-Q9 PolarHBondContact O-N 3.07Å; M6-Q9 PolarHBondContact O-N 2.82Å; Q9-F11 VanDerWaalsContact C-N 3.33Å; Q9-F11 PolarHBondContact O-N 3.45Å; Q9-G12 PolarHBondContact O-N 2.87Å; Q9-F13 VanDerWaalsContact O-CB 3.31Å; Q9-F13 WeakPolarHBondContact O-CB 3.42Å; Q9-F13 PolarHBondContact O-N 2.84Å |
| 10 | L | 86.9 | Confident | 83.4 | Confident | 106 Ų | 106 | 119 Ų | 119 | 56% | 0.555 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.9 | -41.5 | 177.6 | -174.1 | 66.6 | 0 | 0 | 0 | 111.5 | M6 Y7 F13 S14 | M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 PolarHBondContact O-N 2.87Å; Y7-L10 PolarHBondContact O-N 3.49Å; L10-F13 PolarHBondContact O-N 3.3Å; L10-S14 WeakPolarHBondContact O-CB 3.34Å; L10-S14 PolarHBondContact O-N 3.22Å |
| 11 | F | 85.9 | Confident | 83.9 | Confident | 153 Ų | 153 | 117.3 Ų | 117.3 | 67% | 0.671 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.8 | -44.9 | 176.2 | -173.6 | -98.6 | 0 | 0 | 0 | 111.8 | Y7 I8 Q9 S14 F15 | Y7-F11 VanDerWaalsContact O-CB 3.29Å; Y7-F11 WeakPolarHBondContact O-CB 3.3Å; Y7-F11 PolarHBondContact O-N 2.89Å; I8-F11 PolarHBondContact O-N 2.74Å; Q9-F11 VanDerWaalsContact C-N 3.33Å; Q9-F11 PolarHBondContact O-N 3.45Å; F11-S14 PolarHBondContact O-N 3.16Å; F11-F15 WeakPolarHBondContact O-CB 3.3Å; F11-F15 PolarHBondContact O-N 3.38Å |
| 12 | G | 87.1 | Confident | 85.3 | Confident | 38 Ų | 38 | 115.3 Ų | 115.3 | 39% | 0.392 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I8 Q9 F15 F16 | I8-G12 PolarHBondContact O-N 3.16Å; Q9-G12 PolarHBondContact O-N 2.87Å; G12-F15 PolarHBondContact O-N 2.88Å; G12-F16 WeakPolarHBondContact O-CB 3.24Å; G12-F16 PolarHBondContact O-N 3.33Å |
| 13 | F | 87.4 | Confident | 86.1 | Confident | 127 Ų | 127 | 112.4 Ų | 112.4 | 56% | 0.557 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 177.1 | -175.4 | -107.6 | 0 | 0 | 0 | 112 | Q9 L10 F15 F16 I17 | Q9-F13 VanDerWaalsContact O-CB 3.31Å; Q9-F13 WeakPolarHBondContact O-CB 3.42Å; Q9-F13 PolarHBondContact O-N 2.84Å; L10-F13 PolarHBondContact O-N 3.3Å; F13-F15 VanDerWaalsContact C-N 3.33Å; F13-F15 PolarHBondContact O-N 3.38Å; F13-F16 PolarHBondContact O-N 3.42Å; F13-I17 HydrophobicContact CD1-CD1 3.71Å; F13-I17 HydrophobicContact CE1-CD1 3.29Å; F13-I17 HydrophobicContact CE1-CG1 4.29Å; F13-I17 HydrophobicContact CE2-CD1 4.4Å; F13-I17 HydrophobicContact CG-CD1 4.44Å; F13-I17 HydrophobicContact CZ-CD1 3.67Å; F13-I17 HydrophobicContact CZ-CG1 4.32Å; F13-I17 WeakPolarHBondContact O-CG1 3.18Å; F13-I17 PolarHBondContact O-N 3.19Å |
| 14 | S | 88.6 | Confident | 87.1 | Confident | 69 Ų | 69 | 110 Ų | 110 | 48% | 0.483 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 175 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | L10 F11 I17 V18 | L10-S14 WeakPolarHBondContact O-CB 3.34Å; L10-S14 PolarHBondContact O-N 3.22Å; F11-S14 PolarHBondContact O-N 3.16Å; S14-I17 PolarHBondContact O-N 2.85Å; S14-V18 WeakPolarHBondContact O-CG2 3.4Å; S14-V18 PolarHBondContact O-N 3.05Å |
| 15 | F | 89.2 | Confident | 87.8 | Confident | 129 Ų | 129 | 108.6 Ų | 108.6 | 57% | 0.566 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.4 | -40.9 | 178.1 | -175.8 | -106.6 | 0 | 0 | 0 | 112 | F11 G12 F13 V18 I19 | F11-F15 WeakPolarHBondContact O-CB 3.3Å; F11-F15 PolarHBondContact O-N 3.38Å; G12-F15 PolarHBondContact O-N 2.88Å; F13-F15 VanDerWaalsContact C-N 3.33Å; F13-F15 PolarHBondContact O-N 3.38Å; F15-V18 PolarHBondContact O-N 3.32Å; F15-I19 HydrophobicContact CD1-CD1 3.64Å; F15-I19 HydrophobicContact CE1-CD1 3.23Å; F15-I19 HydrophobicContact CE1-CG1 4.27Å; F15-I19 HydrophobicContact CE2-CD1 4.5Å; F15-I19 HydrophobicContact CG-CD1 4.45Å; F15-I19 HydrophobicContact CZ-CD1 3.72Å; F15-I19 HydrophobicContact CZ-CG1 4.41Å; F15-I19 WeakPolarHBondContact O-CG1 3.28Å; F15-I19 PolarHBondContact O-N 2.93Å; F15-I19 VanDerWaalsContact O-N 3.09Å |
| 16 | F | 89.1 | Confident | 88.1 | Confident | 123 Ų | 123 | 108.4 Ų | 108.4 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 177.4 | -173.1 | -108.9 | 0 | 0 | 0 | 112.5 | G12 F13 V18 I19 I20 | G12-F16 WeakPolarHBondContact O-CB 3.24Å; G12-F16 PolarHBondContact O-N 3.33Å; F13-F16 PolarHBondContact O-N 3.42Å; F16-V18 PolarHBondContact O-N 2.9Å; F16-I19 PolarHBondContact O-N 3.24Å; F16-I20 HydrophobicContact CD1-CD1 3.64Å; F16-I20 HydrophobicContact CD1-CG1 4.5Å; F16-I20 HydrophobicContact CE1-CD1 3.22Å; F16-I20 HydrophobicContact CE1-CG1 4.26Å; F16-I20 HydrophobicContact CE2-CD1 4.41Å; F16-I20 HydrophobicContact CG-CD1 4.41Å; F16-I20 HydrophobicContact CZ-CD1 3.66Å; F16-I20 HydrophobicContact CZ-CG1 4.36Å; F16-I20 WeakPolarHBondContact O-CG1 3.31Å; F16-I20 PolarHBondContact O-N 2.85Å |
| 17 | I | 91.3 | Very high | 87.9 | Confident | 76 Ų | 76 | 105.4 Ų | 105.4 | 39% | 0.39 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 175.1 | -70.4 | 170.9 | 0 | 0 | 0 | 110.9 | F13 S14 I19 I20 V21 | F13-I17 HydrophobicContact CD1-CD1 3.71Å; F13-I17 HydrophobicContact CE1-CD1 3.29Å; F13-I17 HydrophobicContact CE1-CG1 4.29Å; F13-I17 HydrophobicContact CE2-CD1 4.4Å; F13-I17 HydrophobicContact CG-CD1 4.44Å; F13-I17 HydrophobicContact CZ-CD1 3.67Å; F13-I17 HydrophobicContact CZ-CG1 4.32Å; F13-I17 WeakPolarHBondContact O-CG1 3.18Å; F13-I17 PolarHBondContact O-N 3.19Å; S14-I17 PolarHBondContact O-N 2.85Å; I17-I19 VanDerWaalsContact C-N 3.28Å; I17-I19 PolarHBondContact O-N 3.36Å; I17-I20 PolarHBondContact O-N 3.47Å; I17-V21 HydrophobicContact CG2-CG2 4.24Å; I17-V21 WeakPolarHBondContact O-CG2 3.49Å; I17-V21 PolarHBondContact O-N 3.41Å |
| 18 | V | 93.7 | Very high | 87.7 | Confident | 91 Ų | 91 | 103 Ų | 103 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.9 | -40.9 | 179.8 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | S14 F15 F16 R22 | S14-V18 WeakPolarHBondContact O-CG2 3.4Å; S14-V18 PolarHBondContact O-N 3.05Å; F15-V18 PolarHBondContact O-N 3.32Å; F16-V18 PolarHBondContact O-N 2.9Å; V18-R22 WeakPolarHBondContact O-CB 3.3Å; V18-R22 PolarHBondContact O-N 3.45Å |
| 19 | I | 91.1 | Very high | 87.1 | Confident | 66 Ų | 66 | 100.3 Ų | 100.3 | 34% | 0.338 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 176.1 | -69.5 | 171.8 | 0 | 0 | 0 | 111 | F15 F16 I17 V21 R22 M23 | F15-I19 HydrophobicContact CD1-CD1 3.64Å; F15-I19 HydrophobicContact CE1-CD1 3.23Å; F15-I19 HydrophobicContact CE1-CG1 4.27Å; F15-I19 HydrophobicContact CE2-CD1 4.5Å; F15-I19 HydrophobicContact CG-CD1 4.45Å; F15-I19 HydrophobicContact CZ-CD1 3.72Å; F15-I19 HydrophobicContact CZ-CG1 4.41Å; F15-I19 WeakPolarHBondContact O-CG1 3.28Å; F15-I19 PolarHBondContact O-N 2.93Å; F15-I19 VanDerWaalsContact O-N 3.09Å; F16-I19 PolarHBondContact O-N 3.24Å; I17-I19 VanDerWaalsContact C-N 3.28Å; I17-I19 PolarHBondContact O-N 3.36Å; I19-V21 PolarHBondContact O-N 2.85Å; I19-R22 PolarHBondContact O-N 3.4Å; I19-M23 HydrophobicContact CG2-CG 4.28Å; I19-M23 WeakPolarHBondContact O-CG 3.35Å; I19-M23 PolarHBondContact O-N 3.46Å |
| 20 | I | 89.9 | Confident | 86.4 | Confident | 86 Ų | 86 | 98.9 Ų | 98.9 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 179.8 | -71.7 | 174 | 0 | 0 | 0 | 110.6 | F16 I17 R22 M23 L24 | F16-I20 HydrophobicContact CD1-CD1 3.64Å; F16-I20 HydrophobicContact CD1-CG1 4.5Å; F16-I20 HydrophobicContact CE1-CD1 3.22Å; F16-I20 HydrophobicContact CE1-CG1 4.26Å; F16-I20 HydrophobicContact CE2-CD1 4.41Å; F16-I20 HydrophobicContact CG-CD1 4.41Å; F16-I20 HydrophobicContact CZ-CD1 3.66Å; F16-I20 HydrophobicContact CZ-CG1 4.36Å; F16-I20 WeakPolarHBondContact O-CG1 3.31Å; F16-I20 PolarHBondContact O-N 2.85Å; I17-I20 PolarHBondContact O-N 3.47Å; I20-R22 VanDerWaalsContact C-N 3.28Å; I20-R22 PolarHBondContact O-N 3.46Å; I20-M23 PolarHBondContact O-N 3.01Å; I20-L24 WeakPolarHBondContact O-CB 3.4Å; I20-L24 PolarHBondContact O-N 2.86Å |
| 21 | V | 93 | Very high | 85.1 | Confident | 83 Ų | 83 | 97.2 Ų | 97.2 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 179.7 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | I17 I19 L24 L25 | I17-V21 HydrophobicContact CG2-CG2 4.24Å; I17-V21 WeakPolarHBondContact O-CG2 3.49Å; I17-V21 PolarHBondContact O-N 3.41Å; I19-V21 PolarHBondContact O-N 2.85Å; V21-L24 PolarHBondContact O-N 3.28Å; V21-L25 WeakPolarHBondContact O-CB 3.38Å; V21-L25 PolarHBondContact O-N 3.2Å |
| 22 | R | 90.6 | Very high | 83.9 | Confident | 170 Ų | 170 | 93.9 Ų | 93.9 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 177 | -166.6 | -170.5 | -173.6 | -153.8 | 3 | 112 | V18 I19 I20 L24 L25 L26 | V18-R22 WeakPolarHBondContact O-CB 3.3Å; V18-R22 PolarHBondContact O-N 3.45Å; I19-R22 PolarHBondContact O-N 3.4Å; I20-R22 VanDerWaalsContact C-N 3.28Å; I20-R22 PolarHBondContact O-N 3.46Å; R22-L24 VanDerWaalsContact C-N 3.35Å; R22-L25 PolarHBondContact O-N 3.23Å; R22-L26 HydrophobicContact CG-CD1 4.31Å; R22-L26 WeakPolarHBondContact O-CB 3.26Å; R22-L26 VanDerWaalsContact O-CG 3.28Å; R22-L26 WeakPolarHBondContact O-CG 3.46Å; R22-L26 PolarHBondContact O-N 2.94Å |
| 23 | M | 89.5 | Confident | 82.5 | Confident | 112 Ų | 112 | 102.1 Ų | 102.1 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.5 | -39.5 | 178.6 | -68.3 | -61.1 | 162.7 | 0 | 0 | 111.7 | I19 I20 L26 G27 | I19-M23 HydrophobicContact CG2-CG 4.28Å; I19-M23 WeakPolarHBondContact O-CG 3.35Å; I19-M23 PolarHBondContact O-N 3.46Å; I20-M23 PolarHBondContact O-N 3.01Å; M23-L26 PolarHBondContact O-N 3.43Å; M23-L26 HydrophobicContact SD-CD1 4.45Å; M23-G27 PolarHBondContact O-N 3.35Å |
| 24 | L | 89.8 | Confident | 80.6 | Confident | 121 Ų | 121 | 102.6 Ų | 102.6 | 63% | 0.634 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -45.1 | 174.1 | -167.3 | 79.8 | 0 | 0 | 0 | 110.9 | I20 V21 R22 L26 G27 L28 | I20-L24 WeakPolarHBondContact O-CB 3.4Å; I20-L24 PolarHBondContact O-N 2.86Å; V21-L24 PolarHBondContact O-N 3.28Å; R22-L24 VanDerWaalsContact C-N 3.35Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.28Å; L24-G27 PolarHBondContact O-N 3.28Å; L24-L28 VanDerWaalsContact O-CB 3.31Å; L24-L28 WeakPolarHBondContact O-CB 3.35Å; L24-L28 PolarHBondContact O-N 3.09Å |
| 25 | L | 89.1 | Confident | 78.7 | Confident | 116 Ų | 116 | 104.6 Ų | 104.6 | 61% | 0.607 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.2 | -42.5 | 178.2 | -147.3 | 97 | 0 | 0 | 0 | 111.4 | V21 R22 L28 C29 | V21-L25 WeakPolarHBondContact O-CB 3.38Å; V21-L25 PolarHBondContact O-N 3.2Å; R22-L25 PolarHBondContact O-N 3.23Å; L25-L28 PolarHBondContact O-N 3.48Å; L25-C29 VanDerWaalsContact O-CB 3.3Å; L25-C29 WeakPolarHBondContact O-CB 3.46Å; L25-C29 PolarHBondContact O-N 3.2Å; L25-C29 PolarHBondContact O-SG 2.91Å |
| 26 | L | 82.9 | Confident | 77.1 | Confident | 87 Ų | 87 | 105 Ų | 105 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -43.9 | 175.8 | -70.9 | 171.5 | 0 | 0 | 0 | 111.5 | R22 M23 L24 L28 C29 V30 | R22-L26 HydrophobicContact CG-CD1 4.31Å; R22-L26 WeakPolarHBondContact O-CB 3.26Å; R22-L26 VanDerWaalsContact O-CG 3.28Å; R22-L26 WeakPolarHBondContact O-CG 3.46Å; R22-L26 PolarHBondContact O-N 2.94Å; M23-L26 PolarHBondContact O-N 3.43Å; M23-L26 HydrophobicContact SD-CD1 4.45Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.28Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 3.01Å; L26-C29 PolarHBondContact O-N 3.01Å; L26-V30 WeakPolarHBondContact O-CB 3.38Å; L26-V30 VanDerWaalsContact O-CG2 3.26Å; L26-V30 WeakPolarHBondContact O-CG2 3.41Å; L26-V30 PolarHBondContact O-N 2.92Å |
| 27 | G | 79.4 | Confident | 75.1 | Confident | 43 Ų | 43 | 106.8 Ų | 106.8 | 44% | 0.443 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.7 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M23 L24 V30 S31 | M23-G27 PolarHBondContact O-N 3.35Å; L24-G27 PolarHBondContact O-N 3.28Å; G27-V30 PolarHBondContact O-N 3.28Å; G27-S31 VanDerWaalsContact O-CB 3.3Å; G27-S31 WeakPolarHBondContact O-CB 3.32Å; G27-S31 PolarHBondContact O-N 3.39Å |
| 28 | L | 77.3 | Confident | 72.9 | Confident | 118 Ų | 118 | 107.2 Ų | 107.2 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71 | -38.7 | 178.2 | -148.8 | 147.1 | 0 | 0 | 0 | 111.5 | L24 L25 L26 S31 A32 | L24-L28 VanDerWaalsContact O-CB 3.31Å; L24-L28 WeakPolarHBondContact O-CB 3.35Å; L24-L28 PolarHBondContact O-N 3.09Å; L25-L28 PolarHBondContact O-N 3.48Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 3.01Å; L28-S31 PolarHBondContact O-N 3.47Å; L28-A32 VanDerWaalsContact O-CB 3.3Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.3Å |
| 29 | C | 74.2 | Confident | 70.9 | Confident | 62 Ų | 62 | 113.8 Ų | 113.8 | 42% | 0.419 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.4 | -39.2 | 171.6 | -75.2 | 0 | 0 | 0 | 0 | 112.7 | L25 L26 R33 | L25-C29 VanDerWaalsContact O-CB 3.3Å; L25-C29 WeakPolarHBondContact O-CB 3.46Å; L25-C29 PolarHBondContact O-N 3.2Å; L25-C29 PolarHBondContact O-SG 2.91Å; L26-C29 PolarHBondContact O-N 3.01Å; C29-R33 WeakPolarHBondContact O-CB 3.43Å; C29-R33 VanDerWaalsContact O-CG 3.24Å; C29-R33 WeakPolarHBondContact O-CG 3.45Å; C29-R33 PolarHBondContact O-N 3.46Å; C29-R33 VanDerWaalsContact O-N 3.16Å |
| 30 | V | 67.5 | Low | 69.1 | Low | 100 Ų | 100 | 114.4 Ų | 114.4 | 61% | 0.606 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.2 | -38.9 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | L26 G27 R33 Q34 | L26-V30 WeakPolarHBondContact O-CB 3.38Å; L26-V30 VanDerWaalsContact O-CG2 3.26Å; L26-V30 WeakPolarHBondContact O-CG2 3.41Å; L26-V30 PolarHBondContact O-N 2.92Å; G27-V30 PolarHBondContact O-N 3.28Å; V30-R33 CarbonylContact O-C 3.44Å; V30-R33 PolarHBondContact O-N 2.91Å; V30-Q34 PolarHBondContact O-N 3.46Å |
| 31 | S | 61.1 | Low | 67.1 | Low | 72 Ų | 72 | 115.8 Ų | 115.8 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.5 | -40.2 | 176.2 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | G27 L28 R33 Q34 | G27-S31 VanDerWaalsContact O-CB 3.3Å; G27-S31 WeakPolarHBondContact O-CB 3.32Å; G27-S31 PolarHBondContact O-N 3.39Å; L28-S31 PolarHBondContact O-N 3.47Å; S31-R33 PolarHBondContact O-N 3.47Å; S31-Q34 PolarHBondContact O-N 2.92Å |
| 32 | A | 60.3 | Low | 65 | Low | 82 Ų | 82 | 118.9 Ų | 118.9 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.4 | -18.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L28 | L28-A32 VanDerWaalsContact O-CB 3.3Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.3Å |
| 33 | R | 58.5 | Low | 63 | Low | 212 Ų | 212 | 121.4 Ų | 121.4 | 80% | 0.8 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 1.8 | 175.5 | -74.1 | -178.7 | -179.4 | -170 | 1.3 | 113.6 | C29 V30 S31 P35 | C29-R33 WeakPolarHBondContact O-CB 3.43Å; C29-R33 VanDerWaalsContact O-CG 3.24Å; C29-R33 WeakPolarHBondContact O-CG 3.45Å; C29-R33 PolarHBondContact O-N 3.46Å; C29-R33 VanDerWaalsContact O-N 3.16Å; V30-R33 CarbonylContact O-C 3.44Å; V30-R33 PolarHBondContact O-N 2.91Å; S31-R33 PolarHBondContact O-N 3.47Å; R33-P35 WeakPolarHBondContact O-CD 3.38Å; R33-P35 VanDerWaalsContact O-N 3.14Å |
| 34 | Q | 47.1 | Very low | 60.9 | Low | 137 Ų | 137 | 119.4 Ų | 119.4 | 64% | 0.64 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -64.1 | 115 | 160.5 | -81.8 | 179.8 | -31.5 | 0 | 0 | 106.3 | V30 S31 V36 | V30-Q34 PolarHBondContact O-N 3.46Å; S31-Q34 PolarHBondContact O-N 2.92Å; Q34-V36 PolarHBondContact O-N 3.46Å |
| 35 | P | 48.1 | Very low | 59.1 | Low | 111 Ų | 111 | 122.3 Ų | 122.3 | 72% | 0.721 | 67% | 0.67 | S | S | * | * | | | trans | -61.9 | 112.1 | 172.9 | 26.3 | -29.5 | 0 | 0 | 0 | 105.2 | R33 M37 | R33-P35 WeakPolarHBondContact O-CD 3.38Å; R33-P35 VanDerWaalsContact O-N 3.14Å; P35-M37 PolarHBondContact O-N 3.36Å |
| 36 | V | 55.7 | Low | 57.4 | Low | 138 Ų | 138 | 123.8 Ų | 123.8 | 84% | 0.836 | 68% | 0.678 | S | S | * | * | | | trans | -55.9 | 95 | 152 | 176.3 | 0 | 0 | 0 | 0 | 103.3 | Q34 P38 | Q34-V36 PolarHBondContact O-N 3.46Å; V36-P38 WeakPolarHBondContact O-CD 3.42Å; V36-P38 VanDerWaalsContact O-N 3.07Å |
| 37 | M | 46.8 | Very low | 55.7 | Low | 159 Ų | 159 | 125 Ų | 125 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | | | trans | -43.7 | 122.5 | 173.3 | -126.4 | 168.8 | 177.3 | 0 | 0 | 105.2 | P35 R39 | P35-M37 PolarHBondContact O-N 3.36Å; M37-R39 PolarHBondContact O-N 2.97Å |
| 38 | P | 46.5 | Very low | 54.3 | Low | 85 Ų | 85 | 126.7 Ų | 126.7 | 55% | 0.552 | 70% | 0.697 | S | S | * | * | | | trans | -63.2 | 98.3 | 173.4 | 24.6 | -29.9 | 0 | 0 | 0 | 105.4 | V36 A40 T41 | V36-P38 WeakPolarHBondContact O-CD 3.42Å; V36-P38 VanDerWaalsContact O-N 3.07Å; P38-A40 PolarHBondContact O-N 3.4Å; P38-T41 WeakPolarHBondContact CG-OG1 3.31Å; P38-T41 PolarHBondContact O-N 2.85Å |
| 39 | R | 51.6 | Low | 53.1 | Low | 229 Ų | 229 | 124.9 Ų | 124.9 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 2.8 | 178 | -142.9 | 177.3 | 174.3 | 112.9 | -1.6 | 111.6 | M37 | M37-R39 PolarHBondContact O-N 2.97Š|
| 40 | A | 51.8 | Low | 51.8 | Low | 80 Ų | 80 | 132.6 Ų | 132.6 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -17.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | P38 L42 | P38-A40 PolarHBondContact O-N 3.4Å; A40-L42 VanDerWaalsContact C-N 3.35Å |
| 41 | T | 49.1 | Very low | 50.9 | Low | 114 Ų | 114 | 133.2 Ų | 133.2 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 0.4 | -177.1 | -27.7 | 0 | 0 | 0 | 0 | 113.7 | P38 | P38-T41 WeakPolarHBondContact CG-OG1 3.31Å; P38-T41 PolarHBondContact O-N 2.85Å |
| 42 | L | 47.6 | Very low | 50.2 | Low | 148 Ų | 148 | 137.4 Ų | 137.4 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 9 | 172.6 | -146.1 | 107.2 | 0 | 0 | 0 | 113.2 | A40 | A40-L42 VanDerWaalsContact C-N 3.35Š|
| 43 | W | 48.5 | Very low | 49.8 | Very low | 224 Ų | 224 | 139 Ų | 139 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -104.9 | 1.1 | 178.1 | -76.9 | 70 | 0 | 0 | 0 | 113.1 | | |
| 44 | G | 46.1 | Very low | 49.1 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -96.8 | -4.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 45 | H | 52.1 | Low | 49.2 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -131.1 | 11.6 | -168.8 | -130.3 | -68.2 | 0 | 0 | 0 | 116.4 | | |
| 46 | L | 52.8 | Low | 49.2 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | trans | -135.3 | 85.5 | 169.9 | -71.1 | 163.6 | 0 | 0 | 0 | 107.3 | P48 | L46-P48 WeakPolarHBondContact O-CD 3.26Š|
| 47 | S | 48.7 | Very low | 48.5 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | | | trans | -89.4 | 95.9 | 153.3 | 177.2 | 0 | 0 | 0 | 0 | 106.3 | A49 | S47-A49 PolarHBondContact O-N 2.94Š|
| 48 | P | 48 | Very low | 48.2 | Very low | 78 Ų | 78 | 140.8 Ų | 140.8 | 51% | 0.506 | 74% | 0.743 | S | S | . | * | | | trans | -70.6 | 111.3 | 153.6 | 5.6 | 12.7 | 0 | 0 | 0 | 104.4 | L46 W50 | L46-P48 WeakPolarHBondContact O-CD 3.26Å; P48-W50 PolarHBondContact O-N 3.34Å |
| 49 | A | 53.1 | Low | 47.8 | Very low | 80 Ų | 80 | 141.1 Ų | 141.1 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | trans | -60.3 | 95 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | S47 V51 | S47-A49 PolarHBondContact O-N 2.94Å; A49-V51 HydrophobicContact CB-CG2 4.48Å; A49-V51 PolarHBondContact O-N 2.92Å |
| 50 | W | 47.8 | Very low | 47.4 | Very low | 224 Ų | 224 | 136.6 Ų | 136.6 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | | | trans | -72 | 80.8 | 170.5 | -69.4 | 86.8 | 0 | 0 | 0 | 107.2 | P48 L52 | P48-W50 PolarHBondContact O-N 3.34Å; W50-L52 PolarHBondContact O-N 3.47Å; W50-L52 VanDerWaalsContact O-N 3.11Å |
| 51 | V | 48.3 | Very low | 47.2 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | trans | -74.6 | 99 | 166.1 | -178.8 | 0 | 0 | 0 | 0 | 106 | A49 V53 | A49-V51 HydrophobicContact CB-CG2 4.48Å; A49-V51 PolarHBondContact O-N 2.92Å; V51-V53 HydrophobicContact CG1-CG2 4.03Å; V51-V53 PolarHBondContact O-N 2.93Å |
| 52 | L | 46.7 | Very low | 46.6 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | -61.7 | 91.1 | 162.8 | -91.4 | 142.3 | 0 | 0 | 0 | 107.6 | W50 P54 | W50-L52 PolarHBondContact O-N 3.47Å; W50-L52 VanDerWaalsContact O-N 3.11Å; L52-P54 VanDerWaalsContact O-CD 3.31Å; L52-P54 WeakPolarHBondContact O-CD 3.29Å |
| 53 | V | 50.9 | Low | 46.3 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | trans | -72.8 | 117.4 | 163.5 | -178.1 | 0 | 0 | 0 | 0 | 105.9 | V51 W55 | V51-V53 HydrophobicContact CG1-CG2 4.03Å; V51-V53 PolarHBondContact O-N 2.93Å; V53-W55 PolarHBondContact O-N 3.29Å |
| 54 | P | 44.3 | Very low | 46 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | | | trans | -62.7 | 109.6 | 172.9 | 23.3 | -29.4 | 0 | 0 | 0 | 108.2 | L52 T56 | L52-P54 VanDerWaalsContact O-CD 3.31Å; L52-P54 WeakPolarHBondContact O-CD 3.29Å; P54-T56 PolarHBondContact O-N 3.24Å |
| 55 | W | 48.4 | Very low | 45.9 | Very low | 233 Ų | 233 | 134.5 Ų | 134.5 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | -66.9 | 99.6 | 171.2 | -176 | -93.9 | 0 | 0 | 0 | 108 | V53 P57 | V53-W55 PolarHBondContact O-N 3.29Å; W55-P57 WeakPolarHBondContact O-CD 3.47Å |
| 56 | T | 48.1 | Very low | 45.2 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | | | trans | -75.4 | 116.3 | 169.5 | 49.6 | 0 | 0 | 0 | 0 | 108.2 | P54 R58 | P54-T56 PolarHBondContact O-N 3.24Å; T56-R58 PolarHBondContact O-N 3.01Å |
| 57 | P | 41.4 | Very low | 44.3 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -66.2 | 110.4 | 172.9 | 26.8 | -30 | 0 | 0 | 0 | 107.5 | W55 A59 | W55-P57 WeakPolarHBondContact O-CD 3.47Å; P57-A59 PolarHBondContact O-N 3.4Å |
| 58 | R | 41.3 | Very low | 43.5 | Very low | 238 Ų | 238 | 130.2 Ų | 130.2 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | | | trans | -68.3 | 106.5 | 167.9 | -81 | -170.3 | -170.5 | 161.6 | 4.3 | 107.6 | T56 | T56-R58 PolarHBondContact O-N 3.01Š|
| 59 | A | 38 | Very low | 42.8 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -50.2 | 153.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P57 | P57-A59 PolarHBondContact O-N 3.4Š|
| 60 | C | 42.1 | Very low | 42.1 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 91% | 0.905 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -25.1 | 131.9 | 175.4 | -71.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 61 | G | 47.8 | Very low | 41.4 | Very low | 72 Ų | 72 | 130.7 Ų | 130.7 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 71.9 | 86.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 62 | Q | 37.2 | Very low | 41 | Very low | 197 Ų | 197 | 129.8 Ų | 129.8 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -153.1 | 124.7 | 153.6 | -115.8 | 161 | -15.6 | 0 | 0 | 111 | | |
| 63 | A | 40.2 | Very low | 40.6 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -62 | 158.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 64 | A | 42.4 | Very low | 40.1 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | | | trans | -56.3 | 173.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 65 | P | 43.9 | Very low | 39.7 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | | | | -143.9 | 129.4 | 100.7 | 32.2 | -14.7 | 0 | 0 | 0 | 115.4 | | |
| 66 | G | 37.7 | Very low | 39.3 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | | 63.1 | 104.6 | 123.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 67 | Q | 33 | Very low | 39.1 | Very low | 208 Ų | 208 | 131.5 Ų | 131.5 | 97% | 0.972 | 82% | 0.816 | S | S | * | * | | | trans | -179.2 | 130.8 | 141.1 | -121.5 | 172 | -20 | 0 | 0 | 106.8 | | |
| 68 | G | 33.4 | Very low | 39.2 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | cis | 162.4 | 111.2 | 5.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 69 | H | 33 | Very low | 39.3 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 83% | 0.833 | 82% | 0.816 | S | S | * | * | | | trans | 58 | 107.8 | 146.7 | -133.7 | 56.1 | 0 | 0 | 0 | 123.7 | | |
| 70 | V | 37 | Very low | 39.6 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 71% | 0.709 | 82% | 0.82 | S | S | * | * | | | | 61.6 | 120.9 | 126 | -177.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 71 | A | 34.2 | Very low | 39.7 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | | | | -169.7 | 132 | 114.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 72 | S | 40.7 | Very low | 39.3 | Very low | 93 Ų | 93 | 130 Ų | 130 | 65% | 0.65 | 81% | 0.813 | S | S | * | * | | | trans | -65.9 | 141.7 | 170.3 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 73 | D | 37.7 | Very low | 39.4 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | | -179.7 | 137.9 | 114.9 | -92.2 | -13.8 | 0 | 0 | 0 | 114.5 | K75 | D73-K75 PolarHBondContact O-N 3.34Š|
| 74 | H | 39.2 | Very low | 39.6 | Very low | 185 Ų | 185 | 127 Ų | 127 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | -61.7 | 117.5 | 173.5 | -84.2 | -86.3 | 0 | 0 | 0 | 112.9 | | |
| 75 | K | 37.3 | Very low | 39.7 | Very low | 209 Ų | 209 | 131.2 Ų | 131.2 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -174.5 | 91 | 141.4 | -122.6 | 175.2 | 175 | -179 | 0 | 111.6 | D73 | D73-K75 PolarHBondContact O-N 3.34Š|
| 76 | S | 39.3 | Very low | 39.6 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -136.5 | 75.1 | 168.4 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 77 | G | 44.3 | Very low | 39.8 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -138.5 | 14.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 78 | A | 43.7 | Very low | 40.4 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -141.8 | 25.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 79 | A | 43.6 | Very low | 40.9 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -121 | 15.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 80 | L | 43.6 | Very low | 41.5 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -106.8 | -6.4 | -179.1 | -141.8 | 124.9 | 0 | 0 | 0 | 114.2 | | |
| 81 | A | 44.5 | Very low | 42 | Very low | 85 Ų | 85 | 125.2 Ų | 125.2 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -97.1 | -13.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 82 | Q | 38.7 | Very low | 42.5 | Very low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -96 | -2.8 | -178.1 | -71.9 | -176.6 | -20.9 | 0 | 0 | 114.2 | | |
| 83 | A | 40.7 | Very low | 42.7 | Very low | 77 Ų | 77 | 127.6 Ų | 127.6 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -8.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q85 | A83-Q85 VanDerWaalsContact C-N 3.29Å; A83-Q85 PolarHBondContact O-N 3.43Å |
| 84 | L | 44.4 | Very low | 43.2 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 8 | -179.6 | -92.8 | 158.6 | 0 | 0 | 0 | 114.2 | | |
| 85 | Q | 43 | Very low | 43.5 | Very low | 178 Ų | 178 | 121 Ų | 121 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -125.6 | 53.2 | -176.1 | -143.8 | 156.3 | 7.2 | 0 | 0 | 111.8 | A83 | A83-Q85 VanDerWaalsContact C-N 3.29Å; A83-Q85 PolarHBondContact O-N 3.43Å |
| 86 | L | 43.4 | Very low | 43.9 | Very low | 145 Ų | 145 | 117.8 Ų | 117.8 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -103.4 | 129.8 | 153.5 | -78.1 | 105 | 0 | 0 | 0 | 108.9 | A88 | L86-A88 PolarHBondContact O-N 3.44Š|
| 87 | P | 41.4 | Very low | 44.2 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 122.3 | 174.7 | 19.7 | -18.9 | 0 | 0 | 0 | 109.4 | | |
| 88 | A | 45.9 | Very low | 43.9 | Very low | 85 Ų | 85 | 120.5 Ų | 120.5 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 135.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L86 | L86-A88 PolarHBondContact O-N 3.44Š|
| 89 | P | 43.3 | Very low | 43.8 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -61 | 142.9 | 171.9 | -18.1 | 29.4 | 0 | 0 | 0 | 110.8 | G91 | P89-G91 PolarHBondContact O-N 3.01Š|
| 90 | P | 46.6 | Very low | 43.8 | Very low | 143 Ų | 143 | 124.8 Ų | 124.8 | 93% | 0.929 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 101.4 | 176.5 | 27.7 | -30.7 | 0 | 0 | 0 | 108.9 | | |
| 91 | G | 46.2 | Very low | 43.6 | Very low | 62 Ų | 62 | 125.3 Ų | 125.3 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.4 | -18.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P89 | P89-G91 PolarHBondContact O-N 3.01Š|
| 92 | F | 46 | Very low | 43.4 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -98.8 | 0.1 | -178.7 | -89.8 | -90 | 0 | 0 | 0 | 115.4 | A94 | F92-A94 VanDerWaalsContact C-N 3.26Å; F92-A94 PolarHBondContact O-N 3.22Å |
| 93 | A | 44.8 | Very low | 43.7 | Very low | 86 Ų | 86 | 130 Ų | 130 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -7.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 94 | A | 48.5 | Very low | 43.7 | Very low | 73 Ų | 73 | 134 Ų | 134 | 60% | 0.603 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -11.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F92 | F92-A94 VanDerWaalsContact C-N 3.26Å; F92-A94 PolarHBondContact O-N 3.22Å |
| 95 | L | 45.2 | Very low | 43.8 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -92.5 | -13.6 | -177.4 | -88.5 | 163.6 | 0 | 0 | 0 | 114.4 | | |
| 96 | L | 45.9 | Very low | 43.6 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -93.8 | -13.5 | 177.7 | -82 | 159 | 0 | 0 | 0 | 113.8 | | |
| 97 | V | 44.3 | Very low | 43.3 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -88.1 | -14 | 179.7 | 178.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 98 | F | 37.9 | Very low | 43.2 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -91 | -10 | -179.7 | -108.3 | -86.3 | 0 | 0 | 0 | 115.1 | | |
| 99 | S | 41.9 | Very low | 43.1 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -98.9 | -8 | 178.6 | -73.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 100 | E | 43.7 | Very low | 42.9 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -100.5 | -12.4 | -177.7 | -140.2 | -179.5 | 122 | 0 | 0 | 114 | | |
| 101 | Q | 38.8 | Very low | 43.1 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -103.5 | 2 | -173.9 | -159.9 | 165.7 | -21.2 | 0 | 0 | 115.2 | | |
| 102 | Q | 41.3 | Very low | 42.9 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -113.3 | 23.1 | -178.5 | -147.7 | 175.7 | -27.8 | 0 | 0 | 114.6 | | |
| 103 | Q | 44.2 | Very low | 42.4 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -119.4 | 15.1 | 173.3 | -99.8 | -176 | -11.5 | 0 | 0 | 114.5 | | |
| 104 | N | 40.9 | Very low | 42.5 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -124.9 | 72.8 | 177.3 | -103.9 | -12.3 | 0 | 0 | 0 | 111.3 | | |
| 105 | S | 45.7 | Very low | 42 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | 173.4 | 108 | 159.4 | 154.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 106 | V | 40.1 | Very low | 41.7 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | | | trans | 150.3 | 84.8 | 149.9 | 170.6 | 0 | 0 | 0 | 0 | 105.8 | | |
| 107 | H | 37.2 | Very low | 41.3 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | | | trans | -69.6 | 125.4 | 161.5 | -148.5 | 66.3 | 0 | 0 | 0 | 106.8 | | |
| 108 | S | 37.9 | Very low | 41.1 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -86.1 | 113 | -172.6 | -169.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 109 | D | 44.3 | Very low | 40.9 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -136.5 | 91.7 | 164 | -90.4 | -35.8 | 0 | 0 | 0 | 107.9 | | |
| 110 | S | 39.8 | Very low | 40.6 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -174.6 | 133.6 | 139.2 | -160.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 111 | K | 49.9 | Very low | 40.4 | Very low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | | | trans | -65.3 | 141.8 | 169.9 | -77.8 | 169.8 | 168.9 | 174.4 | 0 | 111.3 | | |
| 112 | G | 43 | Very low | 40.6 | Very low | 86 Ų | 86 | 133 Ų | 133 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | 108.6 | 114.4 | 148.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 113 | G | 35 | Very low | 40.9 | Very low | 81 Ų | 81 | 133.2 Ų | 133.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | 162.8 | 92.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 114 | I | 47 | Very low | 41.2 | Very low | 172 Ų | 172 | 130 Ų | 130 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -70.3 | 135.9 | 173.2 | -65.5 | 167 | 0 | 0 | 0 | 108.9 | | |
| 115 | G | 37.5 | Very low | 41.4 | Very low | 76 Ų | 76 | 126.5 Ų | 126.5 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | -157.7 | 75.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 116 | L | 39.9 | Very low | 41.4 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | trans | -57.5 | 154.9 | 150.3 | -123 | 91.1 | 0 | 0 | 0 | 107.7 | | |
| 117 | D | 37.1 | Very low | 41.6 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | | | cis | -170.5 | 163 | 9.4 | -150.1 | 0.3 | 0 | 0 | 0 | 107.6 | | |
| 118 | V | 39.1 | Very low | 42.1 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 65% | 0.648 | 78% | 0.776 | S | S | * | * | | | trans | 65 | 113.2 | 142.4 | 168.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 119 | L | 34.1 | Very low | 42.4 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | | | | 135 | 122.8 | 114.6 | -146.7 | 72.2 | 0 | 0 | 0 | 112.5 | | |
| 120 | G | 37.1 | Very low | 42.7 | Very low | 59 Ų | 59 | 127.5 Ų | 127.5 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | | | trans | 137.1 | 83.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 121 | T | 38.2 | Very low | 42.5 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | trans | 73.1 | 123 | 138 | 59.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 122 | S | 43.6 | Very low | 42.2 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | 65.7 | 88.3 | 147.5 | 58.8 | 0 | 0 | 0 | 0 | 118.4 | P124 | S122-P124 WeakPolarHBondContact O-CD 3.47Š|
| 123 | Q | 48 | Very low | 42.2 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | -52.6 | 122.7 | 145.3 | -172.5 | 175.2 | 1.2 | 0 | 0 | 110.2 | | |
| 124 | P | 50.6 | Low | 42.5 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -85.6 | 111.2 | 156.8 | 24.7 | -14.6 | 0 | 0 | 0 | 107.8 | S122 | S122-P124 WeakPolarHBondContact O-CD 3.47Š|
| 125 | S | 45.3 | Very low | 42.3 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | -50.1 | 131 | 163.9 | -71 | 0 | 0 | 0 | 0 | 109.7 | T127 | S125-T127 PolarHBondContact O-N 3.3Š|
| 126 | P | 45 | Very low | 42.6 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -66.7 | 113.4 | 176 | 25.7 | -30.7 | 0 | 0 | 0 | 109 | L128 | P126-L128 PolarHBondContact O-N 3.43Š|
| 127 | T | 44.1 | Very low | 42.7 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | | | trans | -80.1 | 115.8 | 174.4 | -54.4 | 0 | 0 | 0 | 0 | 108.1 | S125 Y129 | S125-T127 PolarHBondContact O-N 3.3Å; T127-Y129 HydrophobicContact CG2-CD2 4.28Å; T127-Y129 HydrophobicContact CG2-CE2 3.84Å; T127-Y129 PolarHBondContact O-N 2.98Å |
| 128 | L | 47 | Very low | 43.1 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | -85.2 | 105.6 | 177.4 | -168.6 | 127.6 | 0 | 0 | 0 | 108.6 | P126 V130 | P126-L128 PolarHBondContact O-N 3.43Å; L128-V130 HydrophobicContact CD2-CG2 3.46Å; L128-V130 VanDerWaalsContact CD2-CG2 3.46Å; L128-V130 PolarHBondContact O-N 3.37Å |
| 129 | Y | 45.3 | Very low | 43.4 | Very low | 208 Ų | 208 | 136.9 Ų | 136.9 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | | | trans | -83.1 | 110.7 | 173.9 | -70.1 | -91.3 | 0 | 0 | 0 | 109 | T127 | T127-Y129 HydrophobicContact CG2-CD2 4.28Å; T127-Y129 HydrophobicContact CG2-CE2 3.84Å; T127-Y129 PolarHBondContact O-N 2.98Å |
| 130 | V | 49.5 | Very low | 44.1 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 67% | 0.673 | 78% | 0.784 | S | S | * | * | | | trans | -94.2 | 122.1 | 166.5 | -170.7 | 0 | 0 | 0 | 0 | 107.7 | L128 | L128-V130 HydrophobicContact CD2-CG2 3.46Å; L128-V130 VanDerWaalsContact CD2-CG2 3.46Å; L128-V130 PolarHBondContact O-N 3.37Å |
| 131 | N | 37.2 | Very low | 44.7 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -76.9 | 124.9 | 172.9 | -161.2 | 16.2 | 0 | 0 | 0 | 108.3 | | |
| 132 | V | 42.6 | Very low | 45.3 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 100% | 1.206 | 80% | 0.796 | S | S | * | * | | | trans | -107.2 | 0 | 170.3 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | | |