| 1 | M | 61.4 | Low | 81.4 | Confident | 194 Ų | 194 | 125.3 Ų | 125.3 | 96% | 0.956 | 61% | 0.613 | S | S | * | * | | | | 0 | -31.7 | 0 | -65.1 | -51.5 | -175.2 | 0 | 0 | 114.8 | R3 L4 H5 | M1-R3 PolarHBondContact O-N 3.17Å; M1-L4 PolarHBondContact O-N 3Å; M1-H5 PolarHBondContact O-ND1 3.5Å |
| 2 | A | 70.6 | Confident | 82.1 | Confident | 61 Ų | 61 | 121.9 Ų | 121.9 | 50% | 0.504 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.3 | -40.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L4 H5 Y6 | A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.33Å; A2-H5 WeakPolarHBondContact O-CB 3.47Å; A2-H5 PolarHBondContact O-N 3.26Å; A2-H5 VanDerWaalsContact O-N 3.12Å; A2-Y6 HydrophobicContact CB-CE2 4.28Å; A2-Y6 WeakPolarHBondContact O-CD2 3.49Å; A2-Y6 PolarHBondContact O-N 2.86Å |
| 3 | R | 74.2 | Confident | 82.6 | Confident | 228 Ų | 228 | 121.7 Ų | 121.7 | 86% | 0.86 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.8 | -36.3 | -176.2 | -65.9 | -176.8 | 179.9 | 177.5 | -1.2 | 113.6 | M1 A7 | M1-R3 PolarHBondContact O-N 3.17Å; R3-A7 PolarHBondContact O-N 3.19Å; R3-A7 VanDerWaalsContact O-N 3.1Å |
| 4 | L | 82.3 | Confident | 83.1 | Confident | 125 Ų | 125 | 118.5 Ų | 118.5 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.1 | -38 | 178.2 | -172.8 | 66.6 | 0 | 0 | 0 | 111.5 | M1 A2 A7 F8 | M1-L4 PolarHBondContact O-N 3Å; A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.33Å; L4-A7 PolarHBondContact O-N 3.22Å; L4-F8 VanDerWaalsContact O-CB 3.31Å; L4-F8 WeakPolarHBondContact O-CB 3.28Å; L4-F8 PolarHBondContact O-N 3.42Å |
| 5 | H | 84.1 | Confident | 83.3 | Confident | 114 Ų | 114 | 115.8 Ų | 115.8 | 53% | 0.528 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.2 | -45.3 | 178.9 | -68.7 | 73.9 | 0 | 0 | 0 | 110.8 | M1 A2 F8 I9 | M1-H5 PolarHBondContact O-ND1 3.5Å; A2-H5 WeakPolarHBondContact O-CB 3.47Å; A2-H5 PolarHBondContact O-N 3.26Å; A2-H5 VanDerWaalsContact O-N 3.12Å; H5-F8 PolarHBondContact O-N 3.37Å; H5-I9 WeakPolarHBondContact O-CB 3.3Å; H5-I9 WeakPolarHBondContact O-CD1 3.26Å; H5-I9 WeakPolarHBondContact O-CG1 3Å; H5-I9 PolarHBondContact O-N 3.25Å |
| 6 | Y | 82.5 | Confident | 83.3 | Confident | 163 Ų | 163 | 112.7 Ų | 112.7 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.6 | -46.1 | 175.5 | -72.2 | -71.3 | 0 | 0 | 0 | 111.9 | A2 F8 I9 T10 | A2-Y6 HydrophobicContact CB-CE2 4.28Å; A2-Y6 WeakPolarHBondContact O-CD2 3.49Å; A2-Y6 PolarHBondContact O-N 2.86Å; Y6-F8 VanDerWaalsContact C-N 3.33Å; Y6-F8 PolarHBondContact O-N 3.22Å; Y6-I9 PolarHBondContact O-N 3.4Å; Y6-T10 WeakPolarHBondContact O-CB 3.36Å; Y6-T10 PolarHBondContact O-N 3.2Å; Y6-T10 PolarHBondContact O-OG1 2.88Å |
| 7 | A | 85.7 | Confident | 83.2 | Confident | 57 Ų | 57 | 113.5 Ų | 113.5 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.6 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R3 L4 T10 F11 | R3-A7 PolarHBondContact O-N 3.19Å; R3-A7 VanDerWaalsContact O-N 3.1Å; L4-A7 PolarHBondContact O-N 3.22Å; A7-T10 PolarHBondContact O-N 2.94Å; A7-F11 WeakPolarHBondContact O-CB 3.24Å; A7-F11 PolarHBondContact O-N 3.19Å |
| 8 | F | 87.6 | Confident | 83.1 | Confident | 132 Ų | 132 | 114.3 Ų | 114.3 | 58% | 0.579 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.6 | -44.5 | 177.7 | -176.1 | -107.8 | 0 | 0 | 0 | 112.2 | L4 H5 Y6 F11 I12 | L4-F8 VanDerWaalsContact O-CB 3.31Å; L4-F8 WeakPolarHBondContact O-CB 3.28Å; L4-F8 PolarHBondContact O-N 3.42Å; H5-F8 PolarHBondContact O-N 3.37Å; Y6-F8 VanDerWaalsContact C-N 3.33Å; Y6-F8 PolarHBondContact O-N 3.22Å; F8-F11 PolarHBondContact O-N 2.86Å; F8-I12 HydrophobicContact CD1-CD1 3.67Å; F8-I12 HydrophobicContact CD2-CD1 4.46Å; F8-I12 HydrophobicContact CE1-CD1 3.21Å; F8-I12 HydrophobicContact CE1-CG1 4.41Å; F8-I12 HydrophobicContact CE2-CD1 4.07Å; F8-I12 HydrophobicContact CG-CD1 4.29Å; F8-I12 HydrophobicContact CZ-CD1 3.45Å; F8-I12 VanDerWaalsContact CZ-CD1 3.45Å; F8-I12 HydrophobicContact CZ-CG1 4.39Å; F8-I12 WeakPolarHBondContact O-CG1 3.22Å; F8-I12 PolarHBondContact O-N 2.73Å |
| 9 | I | 87.8 | Confident | 82.8 | Confident | 91 Ų | 91 | 113.9 Ų | 113.9 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -46.8 | 175.2 | -67.1 | 162.6 | 0 | 0 | 0 | 110 | H5 Y6 F11 I12 L13 | H5-I9 WeakPolarHBondContact O-CB 3.3Å; H5-I9 WeakPolarHBondContact O-CD1 3.26Å; H5-I9 WeakPolarHBondContact O-CG1 3Å; H5-I9 PolarHBondContact O-N 3.25Å; Y6-I9 PolarHBondContact O-N 3.4Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 2.83Å; I9-I12 PolarHBondContact O-N 3.19Å; I9-L13 HydrophobicContact CG2-CD1 3.93Å; I9-L13 HydrophobicContact CG2-CG 4.45Å; I9-L13 VanDerWaalsContact O-CG 3.3Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 2.89Å |
| 10 | T | 90.7 | Very high | 82.2 | Confident | 83 Ų | 83 | 113 Ų | 113 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.9 | -42.1 | 176.5 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | Y6 A7 L13 V14 | Y6-T10 WeakPolarHBondContact O-CB 3.36Å; Y6-T10 PolarHBondContact O-N 3.2Å; Y6-T10 PolarHBondContact O-OG1 2.88Å; A7-T10 PolarHBondContact O-N 2.94Å; T10-L13 PolarHBondContact O-N 3.29Å; T10-V14 HydrophobicContact CG2-CG2 4.05Å; T10-V14 WeakPolarHBondContact O-CB 3.44Å; T10-V14 VanDerWaalsContact O-CG2 3.23Å; T10-V14 WeakPolarHBondContact O-CG2 2.81Å; T10-V14 PolarHBondContact O-N 3.13Å |
| 11 | F | 88.6 | Confident | 81.4 | Confident | 130 Ų | 130 | 113.9 Ų | 113.9 | 57% | 0.57 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.5 | -45.3 | 177.7 | -174.9 | -96.6 | 0 | 0 | 0 | 112.3 | A7 F8 I9 L13 V14 L15 | A7-F11 WeakPolarHBondContact O-CB 3.24Å; A7-F11 PolarHBondContact O-N 3.19Å; F8-F11 PolarHBondContact O-N 2.86Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 2.83Å; F11-L13 VanDerWaalsContact C-N 3.27Å; F11-L13 PolarHBondContact O-N 2.94Å; F11-V14 PolarHBondContact O-N 2.92Å; F11-L15 HydrophobicContact CE1-CD2 4.03Å; F11-L15 HydrophobicContact CZ-CD1 4.47Å; F11-L15 HydrophobicContact CZ-CD2 4.38Å; F11-L15 VanDerWaalsContact O-CB 3.22Å; F11-L15 WeakPolarHBondContact O-CB 3.28Å; F11-L15 PolarHBondContact O-N 2.84Å |
| 12 | I | 89.6 | Confident | 81.4 | Confident | 85 Ų | 85 | 107.7 Ų | 107.7 | 44% | 0.436 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -30.3 | 177.1 | -68.1 | 169.5 | 0 | 0 | 0 | 112 | F8 I9 P16 | F8-I12 HydrophobicContact CD1-CD1 3.67Å; F8-I12 HydrophobicContact CD2-CD1 4.46Å; F8-I12 HydrophobicContact CE1-CD1 3.21Å; F8-I12 HydrophobicContact CE1-CG1 4.41Å; F8-I12 HydrophobicContact CE2-CD1 4.07Å; F8-I12 HydrophobicContact CG-CD1 4.29Å; F8-I12 HydrophobicContact CZ-CD1 3.45Å; F8-I12 VanDerWaalsContact CZ-CD1 3.45Å; F8-I12 HydrophobicContact CZ-CG1 4.39Å; F8-I12 WeakPolarHBondContact O-CG1 3.22Å; F8-I12 PolarHBondContact O-N 2.73Å; I9-I12 PolarHBondContact O-N 3.19Å; I12-P16 WeakPolarHBondContact O-CD 3.3Å; I12-P16 VanDerWaalsContact O-CG 3.24Å; I12-P16 WeakPolarHBondContact O-CG 3.18Å |
| 13 | L | 89.3 | Confident | 80.8 | Confident | 119 Ų | 119 | 111.2 Ų | 111.2 | 62% | 0.623 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -79.8 | -38.8 | 177.5 | -68.8 | 174.5 | 0 | 0 | 0 | 112.5 | I9 T10 F11 | I9-L13 HydrophobicContact CG2-CD1 3.93Å; I9-L13 HydrophobicContact CG2-CG 4.45Å; I9-L13 VanDerWaalsContact O-CG 3.3Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 2.89Å; T10-L13 PolarHBondContact O-N 3.29Å; F11-L13 VanDerWaalsContact C-N 3.27Å; F11-L13 PolarHBondContact O-N 2.94Å |
| 14 | V | 88.6 | Confident | 79.8 | Confident | 77 Ų | 77 | 104.9 Ų | 104.9 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76.1 | -35.7 | -178 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | T10 F11 L17 H18 | T10-V14 HydrophobicContact CG2-CG2 4.05Å; T10-V14 WeakPolarHBondContact O-CB 3.44Å; T10-V14 VanDerWaalsContact O-CG2 3.23Å; T10-V14 WeakPolarHBondContact O-CG2 2.81Å; T10-V14 PolarHBondContact O-N 3.13Å; F11-V14 PolarHBondContact O-N 2.92Å; V14-L17 PolarHBondContact O-N 3.28Å; V14-H18 VanDerWaalsContact O-CB 3.31Å; V14-H18 WeakPolarHBondContact O-CB 3.31Å; V14-H18 PolarHBondContact O-N 2.69Å |
| 15 | L | 86.3 | Confident | 78.5 | Confident | 78 Ų | 78 | 110.5 Ų | 110.5 | 41% | 0.408 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.5 | -50.1 | -175 | -177.1 | 72.9 | 0 | 0 | 0 | 113.1 | F11 L17 H18 L19 | F11-L15 HydrophobicContact CE1-CD2 4.03Å; F11-L15 HydrophobicContact CZ-CD1 4.47Å; F11-L15 HydrophobicContact CZ-CD2 4.38Å; F11-L15 VanDerWaalsContact O-CB 3.22Å; F11-L15 WeakPolarHBondContact O-CB 3.28Å; F11-L15 PolarHBondContact O-N 2.84Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.24Å; L15-H18 PolarHBondContact O-N 3.3Å; L15-L19 HydrophobicContact CG-CD1 4.2Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 2.9Å |
| 16 | P | 82.9 | Confident | 77.2 | Confident | 66 Ų | 66 | 114.9 Ų | 114.9 | 43% | 0.429 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.5 | -39.2 | 175 | -20.9 | 33.1 | 0 | 0 | 0 | 111.9 | I12 H18 L19 C20 | I12-P16 WeakPolarHBondContact O-CD 3.3Å; I12-P16 VanDerWaalsContact O-CG 3.24Å; I12-P16 WeakPolarHBondContact O-CG 3.18Å; P16-H18 VanDerWaalsContact C-N 3.3Å; P16-H18 PolarHBondContact O-N 2.91Å; P16-L19 PolarHBondContact O-N 2.94Å; P16-C20 VanDerWaalsContact O-CB 3.28Å; P16-C20 WeakPolarHBondContact O-CB 3.3Å; P16-C20 PolarHBondContact O-N 3.4Å; P16-C20 PolarHBondContact O-SG 3.16Å |
| 17 | L | 81.9 | Confident | 75.8 | Confident | 126 Ų | 126 | 116 Ų | 116 | 66% | 0.66 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62 | -41.2 | 177.4 | -170 | 70.2 | 0 | 0 | 0 | 111.2 | V14 L15 N21 | V14-L17 PolarHBondContact O-N 3.28Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.24Å; L17-N21 VanDerWaalsContact O-CB 3.3Å; L17-N21 WeakPolarHBondContact O-CB 3.46Å; L17-N21 PolarHBondContact O-N 3.4Å |
| 18 | H | 81.2 | Confident | 74.3 | Confident | 128 Ų | 128 | 117.5 Ų | 117.5 | 59% | 0.593 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.3 | -42.8 | 176.9 | -164.9 | 72.7 | 0 | 0 | 0 | 111.9 | V14 L15 P16 N21 A22 | V14-H18 VanDerWaalsContact O-CB 3.31Å; V14-H18 WeakPolarHBondContact O-CB 3.31Å; V14-H18 PolarHBondContact O-N 2.69Å; L15-H18 PolarHBondContact O-N 3.3Å; P16-H18 VanDerWaalsContact C-N 3.3Å; P16-H18 PolarHBondContact O-N 2.91Å; H18-N21 PolarHBondContact O-N 3.19Å; H18-A22 VanDerWaalsContact O-CB 3.26Å; H18-A22 WeakPolarHBondContact O-CB 3.45Å; H18-A22 PolarHBondContact O-N 3.22Å |
| 19 | L | 77.2 | Confident | 72.6 | Confident | 107 Ų | 107 | 121.7 Ų | 121.7 | 56% | 0.56 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66 | -41.1 | 176.5 | -70.3 | 172.9 | 0 | 0 | 0 | 112.4 | L15 P16 A22 H23 | L15-L19 HydrophobicContact CG-CD1 4.2Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 2.9Å; P16-L19 PolarHBondContact O-N 2.94Å; L19-A22 CarbonylContact O-C 3.6Å; L19-A22 PolarHBondContact O-N 3.23Å; L19-H23 PolarHBondContact O-N 3.33Å |
| 20 | C | 71 | Confident | 71 | Confident | 95 Ų | 95 | 125.6 Ų | 125.6 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.3 | -40.7 | 175.8 | -71.2 | 0 | 0 | 0 | 0 | 111.6 | P16 H23 | P16-C20 VanDerWaalsContact O-CB 3.28Å; P16-C20 WeakPolarHBondContact O-CB 3.3Å; P16-C20 PolarHBondContact O-N 3.4Å; P16-C20 PolarHBondContact O-SG 3.16Å; C20-H23 PolarHBondContact O-N 3.36Å |
| 21 | N | 65.6 | Low | 69.2 | Low | 133 Ų | 133 | 129 Ų | 129 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.4 | -35.2 | 177 | -162.1 | 2.5 | 0 | 0 | 0 | 111.9 | L17 H18 H23 | L17-N21 VanDerWaalsContact O-CB 3.3Å; L17-N21 WeakPolarHBondContact O-CB 3.46Å; L17-N21 PolarHBondContact O-N 3.4Å; H18-N21 PolarHBondContact O-N 3.19Å; N21-H23 PolarHBondContact O-N 3.17Å |
| 22 | A | 60.8 | Low | 67.4 | Low | 64 Ų | 64 | 131.5 Ų | 131.5 | 53% | 0.529 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.3 | -0 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H18 L19 P24 | H18-A22 VanDerWaalsContact O-CB 3.26Å; H18-A22 WeakPolarHBondContact O-CB 3.45Å; H18-A22 PolarHBondContact O-N 3.22Å; L19-A22 CarbonylContact O-C 3.6Å; L19-A22 PolarHBondContact O-N 3.23Å; A22-P24 WeakPolarHBondContact O-CD 3.23Å |
| 23 | H | 59.6 | Low | 65.7 | Low | 134 Ų | 134 | 135 Ų | 135 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | | | trans | -104.8 | 60.6 | 170.5 | -109.4 | 15.6 | 0 | 0 | 0 | 112.5 | L19 C20 N21 R25 | L19-H23 PolarHBondContact O-N 3.33Å; C20-H23 PolarHBondContact O-N 3.36Å; N21-H23 PolarHBondContact O-N 3.17Å; H23-R25 PolarHBondContact O-N 2.81Å; H23-R25 VanDerWaalsContact O-N 3.16Å |
| 24 | P | 52.9 | Low | 64.2 | Low | 96 Ų | 96 | 131.6 Ų | 131.6 | 62% | 0.623 | 67% | 0.666 | S | S | * | * | | | trans | -70.1 | 116.2 | 163.2 | 31.8 | -28 | 0 | 0 | 0 | 107.4 | A22 | A22-P24 WeakPolarHBondContact O-CD 3.23Š|
| 25 | R | 55.4 | Low | 62.7 | Low | 243 Ų | 243 | 133.4 Ų | 133.4 | 92% | 0.917 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 69.4 | 46.1 | 153.2 | -53.1 | -172.7 | 171.2 | -166.4 | -1.4 | 118.9 | H23 | H23-R25 PolarHBondContact O-N 2.81Å; H23-R25 VanDerWaalsContact O-N 3.16Å |
| 26 | R | 55.5 | Low | 61.7 | Low | 206 Ų | 206 | 134.6 Ų | 134.6 | 78% | 0.777 | 69% | 0.691 | S | S | * | * | | | trans | -98.5 | 3.5 | 163.3 | -75.1 | -152 | 177.7 | -171.8 | 3 | 116.2 | S28 | R26-S28 PolarHBondContact O-N 3.46Š|
| 27 | H | 54.6 | Low | 60.6 | Low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.866 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 3.6 | -176.8 | -99.5 | -60.3 | 0 | 0 | 0 | 117.2 | | |
| 28 | S | 53.1 | Low | 59.3 | Low | 87 Ų | 87 | 138.4 Ų | 138.4 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -0.8 | -175 | 109.6 | 0 | 0 | 0 | 0 | 116.4 | R26 | R26-S28 PolarHBondContact O-N 3.46Š|
| 29 | R | 52.9 | Low | 57.8 | Low | 221 Ų | 221 | 140.7 Ų | 140.7 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -97.7 | -15.2 | -174.3 | -110.8 | -176.6 | 166 | 142.8 | -1.8 | 115.4 | | |
| 30 | E | 52.4 | Low | 56.4 | Low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -95.3 | -11.4 | -176.1 | -68.6 | 176.6 | 175.4 | 0 | 0 | 113.5 | F32 | E30-F32 VanDerWaalsContact C-N 3.35Š|
| 31 | L | 54 | Low | 55.4 | Low | 155 Ų | 155 | 146.3 Ų | 146.3 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -1.1 | 170.3 | -69.8 | 169.5 | 0 | 0 | 0 | 113.6 | | |
| 32 | F | 51.4 | Low | 54.5 | Low | 182 Ų | 182 | 148.7 Ų | 148.7 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 15 | 177.2 | -90.7 | -84.2 | 0 | 0 | 0 | 113.8 | E30 | E30-F32 VanDerWaalsContact C-N 3.35Š|
| 33 | L | 53.9 | Low | 53.6 | Low | 160 Ų | 160 | 149.5 Ų | 149.5 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | | | trans | -91.4 | 22.3 | 165.5 | -71.2 | 171.2 | 0 | 0 | 0 | 112.4 | | |
| 34 | G | 56.8 | Low | 53.1 | Low | 47 Ų | 47 | 150.6 Ų | 150.6 | 49% | 0.485 | 76% | 0.761 | S | S | . | * | S | Bend | trans | -64.5 | 156.6 | 159 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 35 | P | 58.3 | Low | 52.8 | Low | 114 Ų | 114 | 154.5 Ų | 154.5 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 140.5 | -157.2 | 19.5 | -31.8 | 0 | 0 | 0 | 112.8 | | |
| 36 | P | 64.7 | Low | 52.7 | Low | 103 Ų | 103 | 146.1 Ų | 146.1 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 140.2 | -179.4 | 23.2 | -33.3 | 0 | 0 | 0 | 109.7 | H38 | P36-H38 PolarHBondContact O-N 3.27Š|
| 37 | P | 59.6 | Low | 53.1 | Low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | trans | -59.6 | 113.6 | 170.3 | 24.5 | -30.4 | 0 | 0 | 0 | 107.3 | Q39 | P37-Q39 PolarHBondContact O-N 3.31Š|
| 38 | H | 53.4 | Low | 53.5 | Low | 155 Ų | 155 | 139.2 Ų | 139.2 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | trans | -48.6 | 97.4 | 170.1 | -75.1 | -77.6 | 0 | 0 | 0 | 109.1 | P36 H40 | P36-H38 PolarHBondContact O-N 3.27Å; H38-H40 PolarHBondContact O-N 3.42Å |
| 39 | Q | 49.8 | Very low | 53.8 | Low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -70.8 | 79.2 | 168 | -78.8 | -169.1 | -11.3 | 0 | 0 | 108.2 | P37 H41 | P37-Q39 PolarHBondContact O-N 3.31Å; Q39-H41 VanDerWaalsContact C-N 3.26Å; Q39-H41 PolarHBondContact O-N 3.31Å; Q39-H41 VanDerWaalsContact O-N 3.13Å |
| 40 | H | 48.2 | Very low | 54 | Low | 157 Ų | 157 | 136.5 Ų | 136.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -79.2 | 82.9 | 163 | -76 | -137.8 | 0 | 0 | 0 | 107.1 | H38 | H38-H40 PolarHBondContact O-N 3.42Š|
| 41 | H | 50.4 | Low | 54 | Low | 164 Ų | 164 | 136.4 Ų | 136.4 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | -116.1 | 64.2 | 168.4 | -83.3 | 11.1 | 0 | 0 | 0 | 109.7 | Q39 | Q39-H41 VanDerWaalsContact C-N 3.26Å; Q39-H41 PolarHBondContact O-N 3.31Å; Q39-H41 VanDerWaalsContact O-N 3.13Å |
| 42 | H | 47.5 | Very low | 53.6 | Low | 182 Ų | 182 | 132.8 Ų | 132.8 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | -130.1 | 70.9 | 161 | -76.1 | -44.1 | 0 | 0 | 0 | 109.1 | H44 | H42-H44 PolarHBondContact O-N 2.97Š|
| 43 | G | 40.3 | Very low | 53.6 | Low | 82 Ų | 82 | 128.6 Ų | 128.6 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | | | trans | -78.5 | 102.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 44 | H | 51.1 | Low | 53.2 | Low | 157 Ų | 157 | 130 Ų | 130 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | -58.4 | 137.3 | 173.2 | -84 | -70.7 | 0 | 0 | 0 | 112.7 | H42 | H42-H44 PolarHBondContact O-N 2.97Š|
| 45 | H | 44.8 | Very low | 52.5 | Low | 178 Ų | 178 | 131.2 Ų | 131.2 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | trans | 56.5 | 99.9 | 146.1 | -64.3 | -62.5 | 0 | 0 | 0 | 119.2 | | |
| 46 | G | 53.4 | Low | 52 | Low | 67 Ų | 67 | 130.7 Ų | 130.7 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | trans | -138.6 | 123.7 | 147.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 47 | P | 65.4 | Low | 50.9 | Low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 143.8 | -178.6 | 27.7 | -32.2 | 0 | 0 | 0 | 111.2 | D49 | P47-D49 PolarHBondContact O-N 3.41Š|
| 48 | P | 62.1 | Low | 50.3 | Low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 125.9 | 177.8 | 27.8 | -31.7 | 0 | 0 | 0 | 110.3 | P50 | P48-P50 WeakPolarHBondContact O-CD 3.39Š|
| 49 | D | 58.6 | Low | 50.1 | Low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 120 | 173.3 | -138.5 | -37.2 | 0 | 0 | 0 | 109.3 | P47 F51 | P47-D49 PolarHBondContact O-N 3.41Å; D49-F51 VanDerWaalsContact C-N 3.31Å; D49-F51 PolarHBondContact O-N 2.94Å |
| 50 | P | 58 | Low | 49.9 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -82.4 | 4.7 | -174 | 0.6 | 13.6 | 0 | 0 | 0 | 115.3 | P48 | P48-P50 WeakPolarHBondContact O-CD 3.39Š|
| 51 | F | 52.7 | Low | 49.8 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 75% | 0.746 | 76% | 0.763 | S | S | * | * | | | trans | -131.1 | 48.8 | -163.4 | -65.6 | -77.4 | 0 | 0 | 0 | 115.4 | D49 P53 | D49-F51 VanDerWaalsContact C-N 3.31Å; D49-F51 PolarHBondContact O-N 2.94Å; F51-P53 VanDerWaalsContact O-CD 3.28Å; F51-P53 WeakPolarHBondContact O-CD 3.38Å |
| 52 | G | 45.8 | Very low | 49.4 | Very low | 79 Ų | 79 | 128.5 Ų | 128.5 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | | | trans | -97.6 | 101.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 53 | P | 50 | Low | 49.5 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | trans | -94.7 | 135.5 | -175.7 | 4.1 | 19.1 | 0 | 0 | 0 | 111.2 | F51 | F51-P53 VanDerWaalsContact O-CD 3.28Å; F51-P53 WeakPolarHBondContact O-CD 3.38Å |
| 54 | H | 46.3 | Very low | 49.9 | Very low | 189 Ų | 189 | 129.8 Ų | 129.8 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | | | trans | 55.4 | 116.2 | 145.2 | -38.7 | -55.3 | 0 | 0 | 0 | 119.3 | | |
| 55 | G | 43.1 | Very low | 49.8 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | | | trans | -176 | 94.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 56 | P | 47.3 | Very low | 49.7 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | trans | -81.2 | 164.3 | 163.6 | 30 | -20 | 0 | 0 | 0 | 110 | | |
| 57 | F | 41.3 | Very low | 49.4 | Very low | 189 Ų | 189 | 133.1 Ų | 133.1 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | trans | 86.3 | 110.8 | 172.9 | -54.1 | -82.1 | 0 | 0 | 0 | 117.8 | | |
| 58 | S | 47 | Very low | 48.6 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | | | | -160.5 | 107.8 | 129.7 | -103.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 59 | P | 49.5 | Very low | 47.5 | Very low | 90 Ų | 90 | 139 Ų | 139 | 58% | 0.584 | 77% | 0.765 | S | S | * | * | | | trans | -89.2 | 156.2 | 161.6 | 35 | -26.9 | 0 | 0 | 0 | 110.1 | | |
| 60 | H | 46.2 | Very low | 47.2 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | trans | 94.5 | 135.7 | 168.3 | -48.6 | -39.9 | 0 | 0 | 0 | 118.4 | | |
| 61 | G | 45.4 | Very low | 46.9 | Very low | 63 Ų | 63 | 140.5 Ų | 140.5 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | trans | 136.2 | 63.7 | 169 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 62 | H | 41.4 | Very low | 46.7 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | | | | 43 | 113.6 | 112.5 | -66.3 | -71.7 | 0 | 0 | 0 | 115.5 | | |
| 63 | H | 50 | Low | 47 | Very low | 179 Ų | 179 | 141 Ų | 141 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | | | | -178.9 | 112.8 | 124.7 | -97 | -78.8 | 0 | 0 | 0 | 109 | L65 | H63-L65 PolarHBondContact O-N 2.92Š|
| 64 | P | 48.1 | Very low | 47.3 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -85.7 | 103.2 | 170.6 | 32.3 | -25 | 0 | 0 | 0 | 108.3 | H66 | P64-H66 PolarHBondContact O-N 3.29Š|
| 65 | L | 49.6 | Very low | 48.3 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | trans | -84 | 102.5 | 164.1 | -93.5 | 159.4 | 0 | 0 | 0 | 107.9 | H63 D67 | H63-L65 PolarHBondContact O-N 2.92Å; L65-D67 PolarHBondContact O-N 2.82Å |
| 66 | H | 43.3 | Very low | 49.8 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | -48.3 | 121.3 | 158.2 | -85.5 | -102.1 | 0 | 0 | 0 | 109.5 | P64 | P64-H66 PolarHBondContact O-N 3.29Š|
| 67 | D | 46.3 | Very low | 51.2 | Low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | | | trans | -144.7 | 103.4 | 151.5 | -133.9 | -61.9 | 0 | 0 | 0 | 111 | L65 | L65-D67 PolarHBondContact O-N 2.82Š|
| 68 | Y | 47.8 | Very low | 53 | Low | 188 Ų | 188 | 143.3 Ų | 143.3 | 74% | 0.737 | 77% | 0.768 | S | S | * | * | | | trans | 23 | 113.1 | 148.4 | -65.8 | -90.6 | 0 | 0 | 0 | 120.3 | | |
| 69 | H | 40.4 | Very low | 54.6 | Low | 182 Ų | 182 | 140.2 Ų | 140.2 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | 21.7 | 101.6 | 139.1 | -77.7 | -66.3 | 0 | 0 | 0 | 119.3 | | |
| 70 | H | 51.3 | Low | 56.2 | Low | 174 Ų | 174 | 141.8 Ų | 141.8 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | trans | -132.4 | 113.2 | 150.1 | -78.1 | -71.9 | 0 | 0 | 0 | 110.6 | Y72 | H70-Y72 PolarHBondContact O-N 2.89Š|
| 71 | P | 51.7 | Low | 57.9 | Low | 109 Ų | 109 | 138.3 Ų | 138.3 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -83.7 | 16.9 | -178.1 | 32.5 | -31.5 | 0 | 0 | 0 | 114 | | |
| 72 | Y | 49.3 | Very low | 59.7 | Low | 192 Ų | 192 | 140.6 Ų | 140.6 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -135.2 | 71.5 | -178.9 | -62.8 | -75.3 | 0 | 0 | 0 | 110.5 | H70 H74 | H70-Y72 PolarHBondContact O-N 2.89Å; Y72-H74 VanDerWaalsContact C-N 3.34Å; Y72-H74 PolarHBondContact O-N 3.42Å |
| 73 | G | 51.4 | Low | 61.6 | Low | 68 Ų | 68 | 138.6 Ų | 138.6 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -64.6 | 94.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | H75 | G73-H75 VanDerWaalsContact C-N 3.33Å; G73-H75 PolarHBondContact O-N 2.99Å |
| 74 | H | 57.5 | Low | 63.1 | Low | 178 Ų | 178 | 132.9 Ų | 132.9 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | -62.4 | 96.9 | 167.4 | -75.7 | -46.1 | 0 | 0 | 0 | 108.5 | Y72 | Y72-H74 VanDerWaalsContact C-N 3.34Å; Y72-H74 PolarHBondContact O-N 3.42Å |
| 75 | H | 66.9 | Low | 64.8 | Low | 175 Ų | 175 | 133.2 Ų | 133.2 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 132.4 | 162.8 | -96.6 | -110.1 | 0 | 0 | 0 | 108.2 | G73 | G73-H75 VanDerWaalsContact C-N 3.33Å; G73-H75 PolarHBondContact O-N 2.99Å |
| 76 | P | 75 | Confident | 66.3 | Low | 102 Ų | 102 | 130.7 Ų | 130.7 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 144.4 | 167.6 | 25.4 | -32.1 | 0 | 0 | 0 | 108.5 | | |
| 77 | P | 75.3 | Confident | 67.8 | Low | 114 Ų | 114 | 127.2 Ų | 127.2 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 141.4 | 174.4 | 24.9 | -32.8 | 0 | 0 | 0 | 108.8 | G79 | P77-G79 PolarHBondContact O-N 3.27Š|
| 78 | P | 79.8 | Confident | 69.2 | Low | 128 Ų | 128 | 124.6 Ų | 124.6 | 83% | 0.831 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 128.9 | 173.9 | 19.6 | -29.4 | 0 | 0 | 0 | 108.8 | | |
| 79 | G | 81.5 | Confident | 70 | Confident | 58 Ų | 58 | 125.3 Ų | 125.3 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 162.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | P77 | P77-G79 PolarHBondContact O-N 3.27Š|
| 80 | P | 82 | Confident | 71.4 | Confident | 122 Ų | 122 | 120.4 Ų | 120.4 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 146 | 172.3 | 25.1 | -33 | 0 | 0 | 0 | 109.6 | | |
| 81 | P | 83 | Confident | 71.9 | Confident | 117 Ų | 117 | 118.7 Ų | 118.7 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 146.4 | 173.4 | 25.5 | -33.5 | 0 | 0 | 0 | 109.1 | | |
| 82 | P | 81.4 | Confident | 72.7 | Confident | 111 Ų | 111 | 118.9 Ų | 118.9 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 145.7 | 172.9 | 24.9 | -33 | 0 | 0 | 0 | 109.1 | G84 | P82-G84 PolarHBondContact O-N 3Š|
| 83 | P | 82.7 | Confident | 73.4 | Confident | 128 Ų | 128 | 117.6 Ų | 117.6 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 129.8 | 172.1 | -23 | 31.7 | 0 | 0 | 0 | 109.4 | | |
| 84 | G | 82.1 | Confident | 74.3 | Confident | 59 Ų | 59 | 119.3 Ų | 119.3 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 162.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P82 | P82-G84 PolarHBondContact O-N 3Š|
| 85 | P | 83.3 | Confident | 75 | Confident | 121 Ų | 121 | 116.7 Ų | 116.7 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 146.4 | 171.4 | 25 | -33.1 | 0 | 0 | 0 | 109.9 | | |
| 86 | P | 80.5 | Confident | 74.7 | Confident | 111 Ų | 111 | 118 Ų | 118 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 143.3 | 174.4 | 24.7 | -33.2 | 0 | 0 | 0 | 109.5 | | |
| 87 | P | 75.9 | Confident | 74.4 | Confident | 92 Ų | 92 | 118.9 Ų | 118.9 | 60% | 0.597 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -58 | 142.6 | 174.5 | 25.4 | -32.9 | 0 | 0 | 0 | 109 | H89 | P87-H89 PolarHBondContact O-N 3.38Š|
| 88 | P | 74.6 | Confident | 73.5 | Confident | 87 Ų | 87 | 121.6 Ų | 121.6 | 57% | 0.565 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 136.2 | 176 | 1.9 | -2.6 | 0 | 0 | 0 | 109.8 | G90 F91 | P88-G90 PolarHBondContact O-N 2.85Å; P88-F91 HydrophobicContact CG-CD2 3.75Å; P88-F91 HydrophobicContact CG-CE2 3.65Å; P88-F91 PolarHBondContact O-N 3.12Å |
| 89 | H | 65.5 | Low | 72.3 | Confident | 204 Ų | 204 | 122.9 Ų | 122.9 | 94% | 0.944 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | 113.8 | 173.4 | -61.8 | -65.5 | 0 | 0 | 0 | 108.6 | P87 | P87-H89 PolarHBondContact O-N 3.38Š|
| 90 | G | 69 | Low | 70.9 | Confident | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.1 | 0.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P88 P92 | P88-G90 PolarHBondContact O-N 2.85Å; G90-P92 WeakPolarHBondContact O-CD 3.49Å |
| 91 | F | 62 | Low | 69.2 | Low | 138 Ų | 138 | 134.7 Ų | 134.7 | 61% | 0.605 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 124.8 | 167.9 | -101.8 | -89.7 | 0 | 0 | 0 | 110.8 | P88 H93 | P88-F91 HydrophobicContact CG-CD2 3.75Å; P88-F91 HydrophobicContact CG-CE2 3.65Å; P88-F91 PolarHBondContact O-N 3.12Å; F91-H93 PolarHBondContact O-N 3.33Å |
| 92 | P | 68.8 | Low | 67.4 | Low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 118.5 | 173 | 25.2 | -30.4 | 0 | 0 | 0 | 108.7 | G90 | G90-P92 WeakPolarHBondContact O-CD 3.49Š|
| 93 | H | 62.8 | Low | 65.4 | Low | 166 Ų | 166 | 130.5 Ų | 130.5 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 134.5 | 167.5 | -71.3 | -83.2 | 0 | 0 | 0 | 108.6 | F91 | F91-H93 PolarHBondContact O-N 3.33Š|
| 94 | P | 71.1 | Confident | 63.8 | Low | 104 Ų | 104 | 133.3 Ų | 133.3 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 142.7 | 168.5 | 25 | -31.3 | 0 | 0 | 0 | 108.9 | Y96 | P94-Y96 PolarHBondContact O-N 2.93Š|
| 95 | P | 71.4 | Confident | 62.3 | Low | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 126.8 | 176.3 | 23.9 | -31.3 | 0 | 0 | 0 | 108.8 | | |
| 96 | Y | 61.5 | Low | 60.9 | Low | 203 Ų | 203 | 137.9 Ų | 137.9 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 135.1 | 168.4 | -95.6 | -99.4 | 0 | 0 | 0 | 108.5 | P94 H98 | P94-Y96 PolarHBondContact O-N 2.93Å; Y96-H98 VanDerWaalsContact C-N 3.34Å; Y96-H98 PolarHBondContact O-N 3.4Å |
| 97 | P | 69 | Low | 59.9 | Low | 120 Ų | 120 | 141 Ų | 141 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -65.8 | 99.1 | 170.5 | 26.2 | -29.8 | 0 | 0 | 0 | 107.7 | D99 | P97-D99 PolarHBondContact O-N 3.35Š|
| 98 | H | 56.8 | Low | 59.4 | Low | 171 Ų | 171 | 142 Ų | 142 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | trans | -60.5 | 134.4 | 164.8 | -81 | -74.4 | 0 | 0 | 0 | 108.7 | Y96 R100 | Y96-H98 VanDerWaalsContact C-N 3.34Å; Y96-H98 PolarHBondContact O-N 3.4Å; H98-R100 PolarHBondContact O-N 2.92Å |
| 99 | D | 53.6 | Low | 59.1 | Low | 156 Ų | 156 | 143.6 Ų | 143.6 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -46.2 | 118.7 | 180 | -58.2 | -72.8 | 0 | 0 | 0 | 111.1 | P97 Y101 | P97-D99 PolarHBondContact O-N 3.35Å; D99-Y101 VanDerWaalsContact C-N 3.32Å; D99-Y101 PolarHBondContact O-N 2.95Å |
| 100 | R | 51.1 | Low | 58.8 | Low | 221 Ų | 221 | 141.3 Ų | 141.3 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -69.8 | -24.6 | -161 | -152.6 | 177.7 | -163.5 | 170.9 | 4 | 114.1 | H98 | H98-R100 PolarHBondContact O-N 2.92Š|
| 101 | Y | 47.9 | Very low | 58.5 | Low | 207 Ų | 207 | 142.9 Ų | 142.9 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -160.6 | 109.9 | -178.5 | -73.8 | -83 | 0 | 0 | 0 | 106.4 | D99 | D99-Y101 VanDerWaalsContact C-N 3.32Å; D99-Y101 PolarHBondContact O-N 2.95Å |
| 102 | G | 43.7 | Very low | 58.2 | Low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | | 87.1 | 102.6 | 64.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 103 | G | 39.9 | Very low | 57.7 | Low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -70.1 | 146.1 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 104 | H | 49.4 | Very low | 57.4 | Low | 186 Ų | 186 | 142.3 Ų | 142.3 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | -145.1 | 122.2 | 153.1 | -72 | -60.2 | 0 | 0 | 0 | 108.7 | G106 | H104-G106 VanDerWaalsContact C-N 3.27Å; H104-G106 PolarHBondContact O-N 2.87Å |
| 105 | H | 51.4 | Low | 56.7 | Low | 211 Ų | 211 | 146.4 Ų | 146.4 | 98% | 0.977 | 78% | 0.78 | S | S | * | * | | | trans | -60.5 | 90.6 | 163.7 | -66.4 | -83.4 | 0 | 0 | 0 | 108.4 | | |
| 106 | G | 53.8 | Low | 56 | Low | 65 Ų | 65 | 148.1 Ų | 148.1 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | trans | -109.9 | 119.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | H104 | H104-G106 VanDerWaalsContact C-N 3.27Å; H104-G106 PolarHBondContact O-N 2.87Å |
| 107 | H | 58.5 | Low | 56 | Low | 177 Ų | 177 | 142.2 Ų | 142.2 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | | | trans | -40.8 | 144 | 174.3 | -91.8 | -91.9 | 0 | 0 | 0 | 112.9 | P109 | H107-P109 WeakPolarHBondContact O-CD 3.14Š|
| 108 | P | 66.2 | Low | 55.7 | Low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 127.8 | 168.1 | 24.7 | -30.9 | 0 | 0 | 0 | 108.7 | H110 | P108-H110 PolarHBondContact O-N 3.4Š|
| 109 | P | 67.7 | Low | 55.9 | Low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 126.5 | 171.6 | 23.8 | -30.1 | 0 | 0 | 0 | 108.7 | H107 | H107-P109 WeakPolarHBondContact O-CD 3.14Š|
| 110 | H | 58.5 | Low | 55.7 | Low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 129.6 | 174.5 | -170.2 | 73.1 | 0 | 0 | 0 | 110 | P108 H112 | P108-H110 PolarHBondContact O-N 3.4Å; H110-H112 PolarHBondContact O-N 3.4Å |
| 111 | P | 63.5 | Low | 56 | Low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | | | trans | -68.5 | 104.5 | -178.8 | 25.1 | -28.1 | 0 | 0 | 0 | 109.1 | S113 | P111-S113 PolarHBondContact O-N 2.88Š|
| 112 | H | 56.3 | Low | 56.4 | Low | 143 Ų | 143 | 123.6 Ų | 123.6 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | | | trans | -65 | 115.2 | 166.1 | -90.3 | 44.3 | 0 | 0 | 0 | 108.2 | H110 H114 | H110-H112 PolarHBondContact O-N 3.4Å; H112-H114 PolarHBondContact O-N 3.25Å |
| 113 | S | 56.8 | Low | 57.1 | Low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | | | trans | -65.9 | 80.2 | 170.5 | 53.5 | 0 | 0 | 0 | 0 | 109.9 | P111 | P111-S113 PolarHBondContact O-N 2.88Š|
| 114 | H | 56.7 | Low | 58 | Low | 149 Ų | 149 | 131.6 Ų | 131.6 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | | | trans | -91.7 | 106.8 | 165.4 | -75 | -43.2 | 0 | 0 | 0 | 108.7 | H112 H116 | H112-H114 PolarHBondContact O-N 3.25Å; H114-H116 PolarHBondContact O-N 2.89Å |
| 115 | H | 57.6 | Low | 58.1 | Low | 190 Ų | 190 | 124.7 Ų | 124.7 | 88% | 0.88 | 70% | 0.697 | S | S | * | * | | | trans | -10.5 | 91.6 | 158.9 | -75 | -96.1 | 0 | 0 | 0 | 113 | S117 | H115-S117 PolarHBondContact O-N 3.43Š|
| 116 | H | 56.6 | Low | 58.2 | Low | 159 Ų | 159 | 118.1 Ų | 118.1 | 74% | 0.736 | 67% | 0.674 | S | S | * | * | | | trans | -85.3 | 103.5 | -178.7 | -146.7 | -63.3 | 0 | 0 | 0 | 107.3 | H114 S119 | H114-H116 PolarHBondContact O-N 2.89Å; H116-S119 PolarHBondContact CE1-OG 3.27Å; H116-S119 VanDerWaalsContact CE1-OG 3.29Å |
| 117 | S | 60.5 | Low | 58.4 | Low | 79 Ų | 79 | 126.9 Ų | 126.9 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | | | trans | -51.4 | 141.9 | 161.1 | -64.6 | 0 | 0 | 0 | 0 | 108.5 | H115 S119 | H115-S117 PolarHBondContact O-N 3.43Å; S117-S119 PolarHBondContact O-N 3.44Å |
| 118 | P | 64.1 | Low | 58.4 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | | | trans | -62.2 | 105.5 | 179 | 24.9 | -32.3 | 0 | 0 | 0 | 109.2 | | |
| 119 | S | 59.2 | Low | 58.1 | Low | 67 Ų | 67 | 128 Ų | 128 | 47% | 0.469 | 69% | 0.686 | S | S | . | * | | | trans | -95.3 | 121.6 | 171.4 | 54 | 0 | 0 | 0 | 0 | 108.5 | H116 S117 | H116-S119 PolarHBondContact CE1-OG 3.27Å; H116-S119 VanDerWaalsContact CE1-OG 3.29Å; S117-S119 PolarHBondContact O-N 3.44Å |
| 120 | V | 49.9 | Very low | 57.2 | Low | 108 Ų | 108 | 126.4 Ų | 126.4 | 66% | 0.655 | 69% | 0.692 | S | S | * | * | | | trans | -98.6 | 109.1 | 170 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 121 | S | 57.4 | Low | 57 | Low | 95 Ų | 95 | 121 Ų | 121 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.5 | 169.4 | 55.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 122 | F | 55.8 | Low | 56.9 | Low | 95 Ų | 95 | 118.5 Ų | 118.5 | 42% | 0.417 | 67% | 0.673 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.4 | 166.2 | 50.6 | -93.8 | 0 | 0 | 0 | 108.9 | I124 F135 | F122-I124 HydrophobicContact CD2-CD1 3.46Å; F122-I124 VanDerWaalsContact CD2-CD1 3.46Å; F122-I124 HydrophobicContact CD2-CG1 3.86Å; F122-I124 HydrophobicContact CE2-CD1 3.62Å; F122-I124 HydrophobicContact CE2-CG1 4.43Å; F122-F135 HydrophobicContact CE1-CD2 4.31Å; F122-F135 HydrophobicContact CZ-CD2 4.1Å; F122-F135 AromaticContact CZ-CE2 3.95Å; F122-F135 HydrophobicContact CZ-CE2 3.95Å |
| 123 | E | 59.5 | Low | 57 | Low | 178 Ų | 178 | 115.5 Ų | 115.5 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | | | trans | -92 | 111.6 | 173.6 | -171.4 | -178.3 | 156.6 | 0 | 0 | 107.9 | | |
| 124 | I | 58.3 | Low | 56.8 | Low | 130 Ų | 130 | 115.3 Ų | 115.3 | 67% | 0.667 | 66% | 0.658 | S | S | * | * | | | trans | -110.8 | 91.8 | 170.7 | -71.6 | 167.6 | 0 | 0 | 0 | 106.2 | F122 | F122-I124 HydrophobicContact CD2-CD1 3.46Å; F122-I124 VanDerWaalsContact CD2-CD1 3.46Å; F122-I124 HydrophobicContact CD2-CG1 3.86Å; F122-I124 HydrophobicContact CE2-CD1 3.62Å; F122-I124 HydrophobicContact CE2-CG1 4.43Å |
| 125 | G | 52.4 | Low | 56.5 | Low | 41 Ų | 41 | 114.1 Ų | 114.1 | 42% | 0.423 | 65% | 0.651 | S | S | . | * | | | trans | -143 | 120 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 126 | S | 52.4 | Low | 56.3 | Low | 72 Ų | 72 | 116.2 Ų | 116.2 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | | | trans | -60 | 137 | 148.2 | 164.9 | 0 | 0 | 0 | 0 | 106.5 | H128 L129 | S126-H128 PolarHBondContact O-N 3.1Å; S126-L129 PolarHBondContact O-N 3.19Å |
| 127 | R | 58.1 | Low | 56 | Low | 249 Ų | 249 | 118.9 Ų | 118.9 | 94% | 0.94 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 5 | -178.2 | -51.6 | -178.9 | -168.4 | -140.5 | -0.7 | 114.1 | | |
| 128 | H | 59.8 | Low | 55.8 | Low | 171 Ų | 171 | 120.9 Ų | 120.9 | 79% | 0.792 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -8.9 | 178.5 | -61.9 | -67.1 | 0 | 0 | 0 | 114.9 | S126 | S126-H128 PolarHBondContact O-N 3.1Š|
| 129 | L | 58.7 | Low | 55.3 | Low | 142 Ų | 142 | 120.9 Ų | 120.9 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -132.7 | 16.9 | -167 | -87.9 | 154.2 | 0 | 0 | 0 | 116 | S126 G131 | S126-L129 PolarHBondContact O-N 3.19Å; L129-G131 PolarHBondContact O-N 3.34Å |
| 130 | G | 50 | Low | 55.1 | Low | 88 Ų | 88 | 123.9 Ų | 123.9 | 91% | 0.907 | 68% | 0.682 | S | S | * | * | | | trans | 45 | 21.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 131 | G | 53.9 | Low | 55.4 | Low | 43 Ų | 43 | 124.9 Ų | 124.9 | 44% | 0.443 | 68% | 0.684 | S | S | . | * | | | trans | -121.4 | 96.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L129 | L129-G131 PolarHBondContact O-N 3.34Š|
| 132 | G | 60.7 | Low | 55.3 | Low | 57 Ų | 57 | 126.8 Ų | 126.8 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | | | trans | -85.9 | 139.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 133 | V | 58.1 | Low | 55.3 | Low | 80 Ų | 80 | 128.9 Ų | 128.9 | 49% | 0.485 | 70% | 0.703 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.1 | 172.4 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | F135 | V133-F135 HydrophobicContact CB-CE2 4.22Å; V133-F135 HydrophobicContact CG1-CD2 3.98Å; V133-F135 HydrophobicContact CG1-CE1 4.46Å; V133-F135 HydrophobicContact CG1-CE2 3.33Å; V133-F135 HydrophobicContact CG1-CZ 3.62Å |
| 134 | T | 52.6 | Low | 55 | Low | 109 Ų | 109 | 125.4 Ų | 125.4 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109 | 126.4 | 175.7 | -54.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 135 | F | 50.6 | Low | 54.7 | Low | 124 Ų | 124 | 125 Ų | 125 | 54% | 0.544 | 70% | 0.696 | S | S | . | * | | | trans | -109.1 | 139.4 | 169.1 | -66.4 | -84.8 | 0 | 0 | 0 | 109.7 | F122 V133 | F122-F135 HydrophobicContact CE1-CD2 4.31Å; F122-F135 HydrophobicContact CZ-CD2 4.1Å; F122-F135 AromaticContact CZ-CE2 3.95Å; F122-F135 HydrophobicContact CZ-CE2 3.95Å; V133-F135 HydrophobicContact CB-CE2 4.22Å; V133-F135 HydrophobicContact CG1-CD2 3.98Å; V133-F135 HydrophobicContact CG1-CE1 4.46Å; V133-F135 HydrophobicContact CG1-CE2 3.33Å; V133-F135 HydrophobicContact CG1-CZ 3.62Å |
| 136 | R | 53.6 | Low | 54.9 | Low | 234 Ų | 234 | 132 Ų | 132 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | | | trans | -115.5 | 124.9 | 173.8 | -72.6 | 178.4 | 144.2 | -129.9 | -4.4 | 108.2 | | |
| 137 | L | 50.1 | Low | 55.1 | Low | 215 Ų | 215 | 137.5 Ų | 137.5 | 100% | 1.126 | 74% | 0.738 | S | S | * | * | | | trans | -99.9 | 0 | 166.5 | -105 | 80.4 | 0 | 0 | 0 | 109.8 | | |