| 1 | M | 51.7 | Low | 76 | Confident | 226 Ų | 226 | 106.1 Ų | 106.1 | 100% | 1.113 | 60% | 0.595 | S | S | * | * | | | | 0 | 86.3 | 0 | -76.7 | 108.7 | 143.7 | 0 | 0 | 108.7 | | |
| 2 | T | 56.8 | Low | 77.3 | Confident | 101 Ų | 101 | 108.4 Ų | 108.4 | 62% | 0.62 | 60% | 0.598 | S | S | * | * | | | trans | -122.3 | -0.1 | 171.5 | 42 | 0 | 0 | 0 | 0 | 111.3 | T4 A5 | T2-T4 PolarHBondContact O-N 3.5Å; T2-T4 VanDerWaalsContact O-N 3.14Å; T2-A5 PolarHBondContact O-N 3.21Å; T2-A5 VanDerWaalsContact O-N 3.16Å |
| 3 | D | 65.8 | Low | 78.4 | Confident | 131 Ų | 131 | 112.5 Ų | 112.5 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.3 | -24.9 | -169.5 | -56.1 | -52.6 | 0 | 0 | 0 | 113.6 | A7 | D3-A7 WeakPolarHBondContact O-CB 3.47Å; D3-A7 PolarHBondContact O-N 3.38Å |
| 4 | T | 70.2 | Confident | 79.4 | Confident | 108 Ų | 108 | 112 Ų | 112 | 66% | 0.663 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -80.3 | -31.6 | 178.8 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | T2 E6 V8 | T2-T4 PolarHBondContact O-N 3.5Å; T2-T4 VanDerWaalsContact O-N 3.14Å; T4-E6 VanDerWaalsContact C-N 3.34Å; T4-E6 PolarHBondContact O-N 3.11Å; T4-V8 WeakPolarHBondContact O-CG2 3.44Å; T4-V8 PolarHBondContact O-N 3.28Å |
| 5 | A | 76.4 | Confident | 80.4 | Confident | 76 Ų | 76 | 111.1 Ų | 111.1 | 63% | 0.628 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.9 | -30.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T2 P9 | T2-A5 PolarHBondContact O-N 3.21Å; T2-A5 VanDerWaalsContact O-N 3.16Å; A5-P9 VanDerWaalsContact O-CD 3.22Å; A5-P9 WeakPolarHBondContact O-CD 3.22Å; A5-P9 WeakPolarHBondContact O-CG 2.97Å |
| 6 | E | 76.9 | Confident | 81.2 | Confident | 152 Ų | 152 | 108.9 Ų | 108.9 | 71% | 0.71 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -92.6 | -32.3 | 176 | -64.8 | -177.2 | 177.4 | 0 | 0 | 112.4 | T4 P9 N10 | T4-E6 VanDerWaalsContact C-N 3.34Å; T4-E6 PolarHBondContact O-N 3.11Å; E6-P9 WeakPolarHBondContact O-CD 3.45Å; E6-P9 WeakPolarHBondContact O-CG 3.42Å; E6-N10 WeakPolarHBondContact O-CB 3.2Å |
| 7 | A | 81.6 | Confident | 81.9 | Confident | 33 Ų | 33 | 105.7 Ų | 105.7 | 27% | 0.273 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.6 | -38.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D3 N10 F11 | D3-A7 WeakPolarHBondContact O-CB 3.47Å; D3-A7 PolarHBondContact O-N 3.38Å; A7-N10 PolarHBondContact O-N 3.48Å; A7-F11 HydrophobicContact CB-CD2 4.2Å; A7-F11 HydrophobicContact CB-CE2 3.84Å; A7-F11 WeakPolarHBondContact O-CD2 3.48Å; A7-F11 WeakPolarHBondContact O-CG 3.03Å; A7-F11 PolarHBondContact O-N 3.16Å |
| 8 | V | 84.8 | Confident | 82.6 | Confident | 77 Ų | 77 | 106.8 Ų | 106.8 | 47% | 0.467 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.5 | -55 | -178.9 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | T4 N10 F11 E12 | T4-V8 WeakPolarHBondContact O-CG2 3.44Å; T4-V8 PolarHBondContact O-N 3.28Å; V8-N10 VanDerWaalsContact C-N 3.25Å; V8-N10 PolarHBondContact O-N 3.32Å; V8-F11 PolarHBondContact O-N 3.37Å; V8-E12 WeakPolarHBondContact O-CG 3.47Å; V8-E12 PolarHBondContact O-N 3.48Å |
| 9 | P | 89.6 | Confident | 83.2 | Confident | 66 Ų | 66 | 108.7 Ų | 108.7 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.8 | -32.5 | 179.9 | 24.5 | -34.1 | 0 | 0 | 0 | 112.4 | A5 E6 E12 E13 | A5-P9 VanDerWaalsContact O-CD 3.22Å; A5-P9 WeakPolarHBondContact O-CD 3.22Å; A5-P9 WeakPolarHBondContact O-CG 2.97Å; E6-P9 WeakPolarHBondContact O-CD 3.45Å; E6-P9 WeakPolarHBondContact O-CG 3.42Å; P9-E12 PolarHBondContact O-N 3.18Å; P9-E13 PolarHBondContact O-N 3.14Å |
| 10 | N | 90.3 | Very high | 83.7 | Confident | 86 Ų | 86 | 106 Ų | 106 | 46% | 0.46 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -44.4 | 175.1 | -171.5 | -12.1 | 0 | 0 | 0 | 111.7 | E6 A7 V8 E13 M14 | E6-N10 WeakPolarHBondContact O-CB 3.2Å; A7-N10 PolarHBondContact O-N 3.48Å; V8-N10 VanDerWaalsContact C-N 3.25Å; V8-N10 PolarHBondContact O-N 3.32Å; N10-E13 PolarHBondContact O-N 2.94Å; N10-M14 WeakPolarHBondContact O-CB 3.45Å; N10-M14 WeakPolarHBondContact O-CG 3.26Å; N10-M14 PolarHBondContact O-N 3.38Å; N10-M14 WeakPolarHBondContact OD1-CE 3.09Å |
| 11 | F | 91.8 | Very high | 84.1 | Confident | 111 Ų | 111 | 108.6 Ų | 108.6 | 49% | 0.487 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.6 | -36.8 | 174.5 | -69.7 | -54 | 0 | 0 | 0 | 112.8 | A7 V8 E13 M14 F15 | A7-F11 HydrophobicContact CB-CD2 4.2Å; A7-F11 HydrophobicContact CB-CE2 3.84Å; A7-F11 WeakPolarHBondContact O-CD2 3.48Å; A7-F11 WeakPolarHBondContact O-CG 3.03Å; A7-F11 PolarHBondContact O-N 3.16Å; V8-F11 PolarHBondContact O-N 3.37Å; F11-E13 VanDerWaalsContact C-N 3.31Å; F11-E13 PolarHBondContact O-N 2.95Å; F11-M14 HydrophobicContact CD1-CE 3.31Å; F11-M14 HydrophobicContact CE1-CE 3.64Å; F11-M14 HydrophobicContact CG-CE 4.24Å; F11-F15 HydrophobicContact CB-CD2 4.38Å; F11-F15 HydrophobicContact CD1-CD2 4.41Å; F11-F15 AromaticContact CD1-CE2 3.94Å; F11-F15 HydrophobicContact CD1-CE2 3.94Å; F11-F15 WeakPolarHBondContact O-CB 3.43Å; F11-F15 VanDerWaalsContact O-CD2 3.26Å; F11-F15 WeakPolarHBondContact O-CD2 3.35Å; F11-F15 PolarHBondContact O-N 3.04Å |
| 12 | E | 92 | Very high | 86.1 | Confident | 134 Ų | 134 | 103.6 Ų | 103.6 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.5 | -41.8 | 175 | -74.3 | 178.4 | 177.5 | 0 | 0 | 111.6 | V8 P9 F15 A16 | V8-E12 WeakPolarHBondContact O-CG 3.47Å; V8-E12 PolarHBondContact O-N 3.48Å; P9-E12 PolarHBondContact O-N 3.18Å; E12-F15 CarbonylContact O-C 3.6Å; E12-A16 WeakPolarHBondContact O-CA 3.36Å; E12-A16 PolarHBondContact O-N 3.37Å |
| 13 | E | 91.3 | Very high | 87.9 | Confident | 161 Ų | 161 | 100 Ų | 100 | 75% | 0.752 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.6 | -48.3 | 177.2 | -170.2 | 176.2 | 179.7 | 0 | 0 | 112.1 | P9 N10 F11 F15 A16 | P9-E13 PolarHBondContact O-N 3.14Å; N10-E13 PolarHBondContact O-N 2.94Å; F11-E13 VanDerWaalsContact C-N 3.31Å; F11-E13 PolarHBondContact O-N 2.95Å; E13-F15 PolarHBondContact O-N 2.95Å; E13-A16 WeakPolarHBondContact O-CB 3.41Å; E13-A16 PolarHBondContact O-N 3.31Å |
| 14 | M | 92.4 | Very high | 89.3 | Confident | 106 Ų | 106 | 102 Ų | 102 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.4 | -31.7 | -179.8 | -74.7 | -169.3 | -63.6 | 0 | 0 | 113.1 | N10 F11 | N10-M14 WeakPolarHBondContact O-CB 3.45Å; N10-M14 WeakPolarHBondContact O-CG 3.26Å; N10-M14 PolarHBondContact O-N 3.38Å; N10-M14 WeakPolarHBondContact OD1-CE 3.09Å; F11-M14 HydrophobicContact CD1-CE 3.31Å; F11-M14 HydrophobicContact CE1-CE 3.64Å; F11-M14 HydrophobicContact CG-CE 4.24Å |
| 15 | F | 94.8 | Very high | 90.4 | Very high | 98 Ų | 98 | 104.6 Ų | 104.6 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 23 | -179.7 | -61.8 | -69.8 | 0 | 0 | 0 | 112.8 | F11 E12 E13 S17 R18 | F11-F15 HydrophobicContact CB-CD2 4.38Å; F11-F15 HydrophobicContact CD1-CD2 4.41Å; F11-F15 AromaticContact CD1-CE2 3.94Å; F11-F15 HydrophobicContact CD1-CE2 3.94Å; F11-F15 WeakPolarHBondContact O-CB 3.43Å; F11-F15 VanDerWaalsContact O-CD2 3.26Å; F11-F15 WeakPolarHBondContact O-CD2 3.35Å; F11-F15 PolarHBondContact O-N 3.04Å; E12-F15 CarbonylContact O-C 3.6Å; E13-F15 PolarHBondContact O-N 2.95Å; F15-S17 PolarHBondContact O-N 3.04Å; F15-S17 VanDerWaalsContact O-N 3.13Å; F15-R18 HydrophobicContact CB-CB 4.25Å; F15-R18 WeakPolarHBondContact O-CB 3.33Å; F15-R18 PolarHBondContact O-N 3.19Å |
| 16 | A | 93.5 | Very high | 91.3 | Very high | 77 Ų | 77 | 104.5 Ų | 104.5 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E12 E13 | E12-A16 WeakPolarHBondContact O-CA 3.36Å; E12-A16 PolarHBondContact O-N 3.37Å; E13-A16 WeakPolarHBondContact O-CB 3.41Å; E13-A16 PolarHBondContact O-N 3.31Å |
| 17 | S | 92.7 | Very high | 92.2 | Very high | 54 Ų | 54 | 100.3 Ų | 100.3 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -1.1 | 176.7 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | F15 F19 T20 D23 | F15-S17 PolarHBondContact O-N 3.04Å; F15-S17 VanDerWaalsContact O-N 3.13Å; S17-F19 PolarHBondContact O-N 3.13Å; S17-T20 WeakPolarHBondContact O-CB 3.38Å; S17-T20 WeakPolarHBondContact O-CG2 3.47Å; S17-T20 PolarHBondContact O-N 3.06Å; S17-T20 PolarHBondContact O-OG1 2.62Å; S17-D23 WeakPolarHBondContact O-CB 3.32Å |
| 18 | R | 94.4 | Very high | 92.8 | Very high | 125 Ų | 125 | 104.6 Ų | 104.6 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 130.8 | -172.2 | -172.9 | -170.9 | -71 | 170.5 | -3 | 112 | F15 T20 D23 | F15-R18 HydrophobicContact CB-CB 4.25Å; F15-R18 WeakPolarHBondContact O-CB 3.33Å; F15-R18 PolarHBondContact O-N 3.19Å; R18-T20 PolarHBondContact O-N 2.91Å; R18-D23 WeakPolarHBondContact CA-OD2 3.29Å |
| 19 | F | 93.1 | Very high | 93.3 | Very high | 143 Ų | 143 | 107.9 Ų | 107.9 | 63% | 0.627 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 15.8 | -179.7 | -48.5 | -55.8 | 0 | 0 | 0 | 115.3 | S17 D23 Y26 | S17-F19 PolarHBondContact O-N 3.13Å; F19-D23 PolarHBondContact N-OD2 3.18Å; F19-Y26 HydrophobicContact CB-CD1 4.44Å; F19-Y26 HydrophobicContact CB-CE1 4.44Å; F19-Y26 AromaticContact CD1-CD2 3.89Å; F19-Y26 HydrophobicContact CD1-CD2 3.89Å; F19-Y26 HydrophobicContact CD1-CE2 4.15Å; F19-Y26 HydrophobicContact CD1-CG 4.22Å |
| 20 | T | 94.2 | Very high | 93.5 | Very high | 55 Ų | 55 | 109.2 Ų | 109.2 | 34% | 0.337 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -95.5 | 178.9 | 173.4 | 71.8 | 0 | 0 | 0 | 0 | 111.5 | S17 R18 N22 D23 Q27 | S17-T20 WeakPolarHBondContact O-CB 3.38Å; S17-T20 WeakPolarHBondContact O-CG2 3.47Å; S17-T20 PolarHBondContact O-N 3.06Å; S17-T20 PolarHBondContact O-OG1 2.62Å; R18-T20 PolarHBondContact O-N 2.91Å; T20-N22 PolarHBondContact O-N 3.21Å; T20-N22 PolarHBondContact OG1-N 3.3Å; T20-D23 WeakPolarHBondContact O-CB 3.37Å; T20-D23 PolarHBondContact O-N 3.01Å; T20-Q27 PolarHBondContact O-NE2 3.12Å; T20-Q27 VanDerWaalsContact O-NE2 3.13Å |
| 21 | E | 92.5 | Very high | 93.7 | Very high | 161 Ų | 161 | 113.1 Ų | 113.1 | 75% | 0.752 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.2 | 171.6 | 61.9 | -175.5 | 176.4 | 0 | 0 | 113.5 | D23 Q27 | E21-D23 VanDerWaalsContact C-N 3.29Å; E21-Q27 WeakPolarHBondContact O-CG 3.4Å |
| 22 | N | 92.6 | Very high | 93.8 | Very high | 120 Ų | 120 | 115.7 Ų | 115.7 | 64% | 0.642 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -11.5 | 178.7 | -64.1 | -48.6 | 0 | 0 | 0 | 112.9 | T20 K24 | T20-N22 PolarHBondContact O-N 3.21Å; T20-N22 PolarHBondContact OG1-N 3.3Å; N22-K24 PolarHBondContact O-N 3.32Å |
| 23 | D | 96.1 | Very high | 94 | Very high | 27 Ų | 27 | 114.4 Ų | 114.4 | 14% | 0.144 | 55% | 0.546 | C | S | . | . | | | trans | -79.8 | 97 | 176.2 | -172.6 | -20.9 | 0 | 0 | 0 | 110.3 | S17 R18 F19 T20 E21 E25 Y26 Q27 | S17-D23 WeakPolarHBondContact O-CB 3.32Å; R18-D23 WeakPolarHBondContact CA-OD2 3.29Å; F19-D23 PolarHBondContact N-OD2 3.18Å; T20-D23 WeakPolarHBondContact O-CB 3.37Å; T20-D23 PolarHBondContact O-N 3.01Å; E21-D23 VanDerWaalsContact C-N 3.29Å; D23-E25 VanDerWaalsContact C-N 3.26Å; D23-E25 PolarHBondContact O-N 3.34Å; D23-E25 PolarHBondContact OD1-N 2.93Å; D23-E25 VanDerWaalsContact OD1-N 3.12Å; D23-Y26 VanDerWaalsContact CG-CB 3.44Å; D23-Y26 PolarHBondContact O-N 2.95Å; D23-Y26 PolarHBondContact OD1-N 3.28Å; D23-Q27 VanDerWaalsContact O-CG 3.29Å; D23-Q27 WeakPolarHBondContact O-CG 3.47Å; D23-Q27 PolarHBondContact O-N 3.13Å |
| 24 | K | 93.8 | Very high | 94 | Very high | 172 Ų | 172 | 112.8 Ų | 112.8 | 75% | 0.748 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -58.4 | -38.8 | -178.9 | -66 | -179 | -178.8 | 176.4 | 0 | 112.3 | N22 Q27 E28 | N22-K24 PolarHBondContact O-N 3.32Å; K24-Q27 PolarHBondContact O-N 3.24Å; K24-E28 WeakPolarHBondContact O-CG 3.44Å; K24-E28 PolarHBondContact O-N 3.03Å |
| 25 | E | 94.1 | Very high | 94 | Very high | 162 Ų | 162 | 116.7 Ų | 116.7 | 76% | 0.757 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.9 | -43 | -178.4 | -63.7 | -177.7 | -164 | 0 | 0 | 110.6 | D23 E28 Y29 | D23-E25 VanDerWaalsContact C-N 3.26Å; D23-E25 PolarHBondContact O-N 3.34Å; D23-E25 PolarHBondContact OD1-N 2.93Å; D23-E25 VanDerWaalsContact OD1-N 3.12Å; E25-E28 PolarHBondContact O-N 3.18Å; E25-Y29 WeakPolarHBondContact O-CB 3.49Å; E25-Y29 PolarHBondContact O-N 3.26Å |
| 26 | Y | 94.6 | Very high | 93.9 | Very high | 75 Ų | 75 | 116.7 Ų | 116.7 | 29% | 0.294 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.7 | -42.3 | 175.8 | -177.9 | -120.7 | 0 | 0 | 0 | 112.3 | F19 D23 E28 Y29 L30 | F19-Y26 HydrophobicContact CB-CD1 4.44Å; F19-Y26 HydrophobicContact CB-CE1 4.44Å; F19-Y26 AromaticContact CD1-CD2 3.89Å; F19-Y26 HydrophobicContact CD1-CD2 3.89Å; F19-Y26 HydrophobicContact CD1-CE2 4.15Å; F19-Y26 HydrophobicContact CD1-CG 4.22Å; D23-Y26 VanDerWaalsContact CG-CB 3.44Å; D23-Y26 PolarHBondContact O-N 2.95Å; D23-Y26 PolarHBondContact OD1-N 3.28Å; Y26-E28 VanDerWaalsContact C-N 3.3Å; Y26-E28 PolarHBondContact O-N 3.35Å; Y26-Y29 WeakPolarHBondContact O-CB 3.43Å; Y26-Y29 PolarHBondContact O-N 2.96Å; Y26-Y29 VanDerWaalsContact O-N 3.11Å; Y26-L30 HydrophobicContact CD1-CD1 4.18Å; Y26-L30 HydrophobicContact CE1-CD1 3.73Å; Y26-L30 HydrophobicContact CE1-CG 4.22Å; Y26-L30 HydrophobicContact CE2-CD2 4.14Å; Y26-L30 HydrophobicContact CE2-CG 4.22Å; Y26-L30 WeakPolarHBondContact O-CG 3.42Å; Y26-L30 PolarHBondContact O-N 3.11Å |
| 27 | Q | 96.1 | Very high | 93.9 | Very high | 63 Ų | 63 | 118.1 Ų | 118.1 | 29% | 0.294 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.6 | -33.9 | 176.9 | -66.9 | -49.6 | -47.3 | 0 | 0 | 112.6 | T20 E21 D23 K24 K31 | T20-Q27 PolarHBondContact O-NE2 3.12Å; T20-Q27 VanDerWaalsContact O-NE2 3.13Å; E21-Q27 WeakPolarHBondContact O-CG 3.4Å; D23-Q27 VanDerWaalsContact O-CG 3.29Å; D23-Q27 WeakPolarHBondContact O-CG 3.47Å; D23-Q27 PolarHBondContact O-N 3.13Å; K24-Q27 PolarHBondContact O-N 3.24Å; Q27-K31 WeakPolarHBondContact O-CG 3.44Å |
| 28 | E | 94.8 | Very high | 93.9 | Very high | 124 Ų | 124 | 121.3 Ų | 121.3 | 58% | 0.579 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.9 | -37.4 | 171.1 | -75.6 | -173 | 177.8 | 0 | 0 | 112.4 | K24 E25 Y26 K31 | K24-E28 WeakPolarHBondContact O-CG 3.44Å; K24-E28 PolarHBondContact O-N 3.03Å; E25-E28 PolarHBondContact O-N 3.18Å; Y26-E28 VanDerWaalsContact C-N 3.3Å; Y26-E28 PolarHBondContact O-N 3.35Å; E28-K31 PolarHBondContact O-N 2.94Å |
| 29 | Y | 94.3 | Very high | 93.8 | Very high | 145 Ų | 145 | 123 Ų | 123 | 57% | 0.569 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.1 | -42.3 | 175.8 | -177 | -96.9 | 0 | 0 | 0 | 112.1 | E25 Y26 K31 R32 | E25-Y29 WeakPolarHBondContact O-CB 3.49Å; E25-Y29 PolarHBondContact O-N 3.26Å; Y26-Y29 WeakPolarHBondContact O-CB 3.43Å; Y26-Y29 PolarHBondContact O-N 2.96Å; Y26-Y29 VanDerWaalsContact O-N 3.11Å; Y29-K31 PolarHBondContact O-N 3.4Å; Y29-R32 VanDerWaalsContact O-CB 3.3Å; Y29-R32 WeakPolarHBondContact O-CB 3.3Å; Y29-R32 WeakPolarHBondContact O-CG 3.48Å; Y29-R32 PolarHBondContact O-N 3.01Å |
| 30 | L | 94.3 | Very high | 93.8 | Very high | 94 Ų | 94 | 120.4 Ų | 120.4 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.3 | -24.5 | 177.7 | -71.5 | 177.6 | 0 | 0 | 0 | 114 | Y26 R32 | Y26-L30 HydrophobicContact CD1-CD1 4.18Å; Y26-L30 HydrophobicContact CE1-CD1 3.73Å; Y26-L30 HydrophobicContact CE1-CG 4.22Å; Y26-L30 HydrophobicContact CE2-CD2 4.14Å; Y26-L30 HydrophobicContact CE2-CG 4.22Å; Y26-L30 WeakPolarHBondContact O-CG 3.42Å; Y26-L30 PolarHBondContact O-N 3.11Å; L30-R32 VanDerWaalsContact C-N 3.3Å |
| 31 | K | 94.6 | Very high | 93.5 | Very high | 168 Ų | 168 | 126.3 Ų | 126.3 | 73% | 0.73 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -13.7 | 176.8 | -65.4 | 170.9 | -171.6 | 171.3 | 0 | 112.9 | Q27 E28 Y29 | Q27-K31 WeakPolarHBondContact O-CG 3.44Å; E28-K31 PolarHBondContact O-N 2.94Å; Y29-K31 PolarHBondContact O-N 3.4Å |
| 32 | R | 94.3 | Very high | 93.3 | Very high | 165 Ų | 165 | 124.4 Ų | 124.4 | 62% | 0.623 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -69.7 | 136.2 | -177.5 | -62.8 | -178.5 | -177.4 | -166.6 | 1.5 | 109.5 | Y29 L30 | Y29-R32 VanDerWaalsContact O-CB 3.3Å; Y29-R32 WeakPolarHBondContact O-CB 3.3Å; Y29-R32 WeakPolarHBondContact O-CG 3.48Å; Y29-R32 PolarHBondContact O-N 3.01Å; L30-R32 VanDerWaalsContact C-N 3.3Å |
| 33 | P | 94.9 | Very high | 93 | Very high | 107 Ų | 107 | 128.1 Ų | 128.1 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 156.9 | 170.6 | 29.5 | -34.5 | 0 | 0 | 0 | 109.7 | E35 | P33-E35 PolarHBondContact O-N 2.97Å; P33-E35 VanDerWaalsContact O-N 3.11Å |
| 34 | P | 92.6 | Very high | 92.2 | Very high | 127 Ų | 127 | 133.2 Ų | 133.2 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 120.4 | 172.3 | -23.6 | 33.4 | 0 | 0 | 0 | 110.3 | S36 | P34-S36 PolarHBondContact O-N 3.38Š|
| 35 | E | 92.1 | Very high | 90.9 | Very high | 189 Ų | 189 | 128.5 Ų | 128.5 | 88% | 0.883 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 126.8 | -177.9 | -167.5 | 170 | -173 | 0 | 0 | 109.6 | P33 | P33-E35 PolarHBondContact O-N 2.97Å; P33-E35 VanDerWaalsContact O-N 3.11Å |
| 36 | S | 92.1 | Very high | 89.5 | Confident | 98 Ų | 98 | 132.6 Ų | 132.6 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 139.7 | 175.1 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | P34 | P34-S36 PolarHBondContact O-N 3.38Š|
| 37 | P | 94.2 | Very high | 87.6 | Confident | 107 Ų | 107 | 132.7 Ų | 132.7 | 70% | 0.695 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 146.2 | 177.4 | 25.3 | -33.8 | 0 | 0 | 0 | 110.5 | I39 | P37-I39 PolarHBondContact O-N 3.44Š|
| 38 | P | 93.1 | Very high | 85.8 | Confident | 121 Ų | 121 | 134 Ų | 134 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 127.5 | -178.8 | 26.3 | -33.9 | 0 | 0 | 0 | 110.4 | | |
| 39 | I | 91.3 | Very high | 84.2 | Confident | 159 Ų | 159 | 131 Ų | 131 | 82% | 0.815 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 121.6 | 173 | -58.8 | 174.2 | 0 | 0 | 0 | 107.4 | P37 | P37-I39 PolarHBondContact O-N 3.44Š|
| 40 | V | 93 | Very high | 82.3 | Confident | 90 Ų | 90 | 130.5 Ų | 130.5 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | | | trans | -104.2 | 114.2 | 178.1 | -171.9 | 0 | 0 | 0 | 0 | 109.4 | W43 | V40-W43 HydrophobicContact CB-CE3 4.06Å; V40-W43 HydrophobicContact CG1-CE3 3.73Å; V40-W43 HydrophobicContact CG1-CZ3 4.32Å; V40-W43 HydrophobicContact CG2-CE3 4.43Å |
| 41 | E | 89.2 | Confident | 80.6 | Confident | 178 Ų | 178 | 135.4 Ų | 135.4 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 147.6 | 173.3 | -65.1 | -176.8 | 177.7 | 0 | 0 | 111 | W43 | E41-W43 VanDerWaalsContact C-N 3.25Å; E41-W43 PolarHBondContact O-N 3.11Å; E41-W43 VanDerWaalsContact O-N 3.15Å |
| 42 | E | 86.9 | Confident | 78.9 | Confident | 122 Ų | 122 | 137.5 Ų | 137.5 | 57% | 0.57 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.2 | 37.9 | 177 | -142.4 | -166.1 | 169.4 | 0 | 0 | 114.5 | N44 S45 | E42-N44 PolarHBondContact O-N 3.29Å; E42-S45 WeakPolarHBondContact CB-OG 3.35Å; E42-S45 WeakPolarHBondContact CG-OG 3.14Å; E42-S45 PolarHBondContact O-N 3.3Å; E42-S45 PolarHBondContact O-OG 3.21Å; E42-S45 WeakPolarHBondContact OE1-CA 3.37Å; E42-S45 WeakPolarHBondContact OE1-CB 3.05Å; E42-S45 PolarHBondContact OE1-OG 3.36Å; E42-S45 PolarHBondContact OE2-OG 3.43Å |
| 43 | W | 86.6 | Confident | 76.8 | Confident | 198 Ų | 198 | 137.2 Ų | 137.2 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.3 | -27.4 | -179.6 | -178.8 | -108.3 | 0 | 0 | 0 | 115.1 | V40 E41 | V40-W43 HydrophobicContact CB-CE3 4.06Å; V40-W43 HydrophobicContact CG1-CE3 3.73Å; V40-W43 HydrophobicContact CG1-CZ3 4.32Å; V40-W43 HydrophobicContact CG2-CE3 4.43Å; E41-W43 VanDerWaalsContact C-N 3.25Å; E41-W43 PolarHBondContact O-N 3.11Å; E41-W43 VanDerWaalsContact O-N 3.15Å |
| 44 | N | 78.6 | Confident | 74.9 | Confident | 134 Ų | 134 | 144.2 Ų | 144.2 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | 49.9 | 176.7 | -69.7 | -45.3 | 0 | 0 | 0 | 112.1 | E42 R46 | E42-N44 PolarHBondContact O-N 3.29Å; N44-R46 VanDerWaalsContact C-N 3.26Å; N44-R46 PolarHBondContact O-N 3.25Å |
| 45 | S | 66.6 | Low | 73.1 | Confident | 72 Ų | 72 | 141 Ų | 141 | 50% | 0.503 | 75% | 0.752 | S | S | . | * | | | trans | -53.6 | 83.3 | 173.7 | -44 | 0 | 0 | 0 | 0 | 112.4 | E42 | E42-S45 WeakPolarHBondContact CB-OG 3.35Å; E42-S45 WeakPolarHBondContact CG-OG 3.14Å; E42-S45 PolarHBondContact O-N 3.3Å; E42-S45 PolarHBondContact O-OG 3.21Å; E42-S45 WeakPolarHBondContact OE1-CA 3.37Å; E42-S45 WeakPolarHBondContact OE1-CB 3.05Å; E42-S45 PolarHBondContact OE1-OG 3.36Å; E42-S45 PolarHBondContact OE2-OG 3.43Å |
| 46 | R | 64.7 | Low | 71 | Confident | 248 Ų | 248 | 138.9 Ų | 138.9 | 94% | 0.936 | 75% | 0.746 | S | S | * | * | | | trans | -103 | 12.2 | 161.6 | -68.2 | -171.3 | -178.5 | -166.7 | 1.5 | 111.2 | N44 | N44-R46 VanDerWaalsContact C-N 3.26Å; N44-R46 PolarHBondContact O-N 3.25Å |
| 47 | A | 56.4 | Low | 69.1 | Low | 78 Ų | 78 | 145.3 Ų | 145.3 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | | | trans | -108.1 | 26.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G49 | A47-G49 PolarHBondContact O-N 3.2Š|
| 48 | G | 57.8 | Low | 66.9 | Low | 89 Ų | 89 | 147 Ų | 147 | 92% | 0.918 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -69 | 46.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 49 | G | 61.4 | Low | 64.9 | Low | 61 Ų | 61 | 147.7 Ų | 147.7 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | | | trans | 170.6 | 81.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116 | A47 | A47-G49 PolarHBondContact O-N 3.2Š|
| 50 | N | 53.3 | Low | 63 | Low | 135 Ų | 135 | 146 Ų | 146 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | | | trans | -165.7 | 72.2 | 140.8 | -130.1 | -7 | 0 | 0 | 0 | 113.6 | R52 | N50-R52 VanDerWaalsContact C-N 3.35Š|
| 51 | Q | 58.3 | Low | 61 | Low | 197 Ų | 197 | 149.2 Ų | 149.2 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | | | trans | -104.4 | 30.5 | 158.1 | -73.2 | -78.8 | -30 | 0 | 0 | 110.2 | | |
| 52 | R | 59.4 | Low | 59.5 | Low | 213 Ų | 213 | 150.8 Ų | 150.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | -99.6 | 75.3 | 173.7 | -67.1 | -178.8 | -176.4 | 168.2 | 2 | 108.8 | N50 | N50-R52 VanDerWaalsContact C-N 3.35Š|
| 53 | N | 50.3 | Low | 57.9 | Low | 159 Ų | 159 | 152.8 Ų | 152.8 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | trans | -164.6 | 83.1 | 147.5 | -90.1 | -36.7 | 0 | 0 | 0 | 110.2 | G55 | N53-G55 PolarHBondContact O-N 2.68Š|
| 54 | R | 54.8 | Low | 56.1 | Low | 254 Ų | 254 | 152.6 Ų | 152.6 | 96% | 0.958 | 77% | 0.77 | S | S | * | * | | | trans | -57.9 | 117.3 | 147.6 | -67.5 | 177.8 | -179.5 | 172.1 | -1.1 | 107.3 | | |
| 55 | G | 54.3 | Low | 54.3 | Low | 60 Ų | 60 | 158.4 Ų | 158.4 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | | | trans | 147.6 | 75.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N53 | N53-G55 PolarHBondContact O-N 2.68Š|
| 56 | N | 48.9 | Very low | 53 | Low | 143 Ų | 143 | 158.4 Ų | 158.4 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | | | trans | -155.5 | 77.2 | 138.4 | -97.6 | -35 | 0 | 0 | 0 | 108.5 | L58 | N56-L58 PolarHBondContact O-N 2.95Š|
| 57 | R | 52.4 | Low | 51.8 | Low | 234 Ų | 234 | 157.1 Ų | 157.1 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -57.2 | 113.8 | 154.6 | -68.8 | 172.3 | 179.6 | 159.8 | -2.2 | 106 | | |
| 58 | L | 48.4 | Very low | 51.1 | Low | 143 Ų | 143 | 158.9 Ų | 158.9 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | 43 | 97.8 | 147.3 | -62.1 | 158.1 | 0 | 0 | 0 | 114.9 | N56 D60 | N56-L58 PolarHBondContact O-N 2.95Å; L58-D60 PolarHBondContact O-N 2.82Å |
| 59 | Q | 49.9 | Very low | 50.2 | Low | 135 Ų | 135 | 160 Ų | 160 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | | | trans | -70.9 | 34.9 | 166.7 | -66.5 | -169.6 | 21.5 | 0 | 0 | 113 | N61 | Q59-N61 PolarHBondContact O-N 3.15Š|
| 60 | D | 51.3 | Low | 49.7 | Very low | 122 Ų | 122 | 167.1 Ų | 167.1 | 65% | 0.652 | 78% | 0.779 | S | S | * | * | | | trans | -100.9 | 79.9 | 179.5 | -62.7 | -23.4 | 0 | 0 | 0 | 108.6 | L58 | L58-D60 PolarHBondContact O-N 2.82Š|
| 61 | N | 51.7 | Low | 49.2 | Very low | 159 Ų | 159 | 172.3 Ų | 172.3 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | -169.4 | 46.7 | 157.2 | -97.9 | -7.3 | 0 | 0 | 0 | 112.3 | Q59 Q63 | Q59-N61 PolarHBondContact O-N 3.15Å; N61-Q63 PolarHBondContact O-N 2.8Å |
| 62 | R | 56.8 | Low | 48.4 | Very low | 210 Ų | 210 | 166.2 Ų | 166.2 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | trans | -89.7 | 50.6 | 167.1 | -65.4 | -167.4 | -155.4 | -177.8 | 7.7 | 112 | | |
| 63 | Q | 53.5 | Low | 47.6 | Very low | 164 Ų | 164 | 168.2 Ų | 168.2 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -138.9 | 103.4 | 176.9 | -70.9 | -178.2 | -6.2 | 0 | 0 | 109.6 | N61 | N61-Q63 PolarHBondContact O-N 2.8Š|
| 64 | F | 48.4 | Very low | 47.5 | Very low | 195 Ų | 195 | 166.1 Ų | 166.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | 67.5 | 102.5 | 161.1 | -65.2 | -92.6 | 0 | 0 | 0 | 118.4 | | |
| 65 | R | 41.6 | Very low | 46.7 | Very low | 256 Ų | 256 | 158 Ų | 158 | 97% | 0.966 | 76% | 0.764 | S | S | * | * | | | | -169.6 | 129.6 | 119.9 | -73.6 | -141.9 | -170 | -150.1 | 0.5 | 111.9 | | |
| 66 | G | 39.8 | Very low | 46.6 | Very low | 71 Ų | 71 | 161.7 Ų | 161.7 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | trans | 86.7 | 95.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 67 | R | 39.5 | Very low | 46.6 | Very low | 221 Ų | 221 | 162 Ų | 162 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | | | | 69.7 | 98.5 | 81.4 | -166.3 | 179 | -171.1 | -150.1 | 7 | 112.2 | | |
| 68 | D | 42.1 | Very low | 46.3 | Very low | 115 Ų | 115 | 162.8 Ų | 162.8 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | | | trans | 60.3 | 125.2 | 147.7 | -45 | -30.7 | 0 | 0 | 0 | 118.7 | | |
| 69 | N | 38 | Very low | 46.4 | Very low | 113 Ų | 113 | 160.2 Ų | 160.2 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | | | | 153.6 | 97.9 | 115.8 | -78.7 | -64.6 | 0 | 0 | 0 | 112.8 | | |
| 70 | R | 50 | Low | 46.3 | Very low | 211 Ų | 211 | 161 Ų | 161 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | 65 | 164.9 | 138 | -55.8 | -170 | -120.5 | -108 | 1.4 | 116.8 | | |
| 71 | W | 44.8 | Very low | 46.4 | Very low | 244 Ų | 244 | 162.4 Ų | 162.4 | 92% | 0.924 | 78% | 0.779 | S | S | * | * | | | trans | 76.5 | 75.4 | -179 | -37.8 | 97 | 0 | 0 | 0 | 113.6 | | |
| 72 | G | 39.8 | Very low | 46 | Very low | 68 Ų | 68 | 164.3 Ų | 164.3 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | cis | 76.3 | 102 | 49.7 | 0 | 0 | 0 | 0 | 0 | 110 | P74 | G72-P74 WeakPolarHBondContact O-CD 3.38Š|
| 73 | W | 44.2 | Very low | 45.4 | Very low | 256 Ų | 256 | 161.5 Ų | 161.5 | 97% | 0.97 | 77% | 0.77 | S | S | * | * | | | trans | -75.8 | 131.6 | 164.6 | -76.4 | 75.7 | 0 | 0 | 0 | 109.3 | | |
| 74 | P | 47.4 | Very low | 45.2 | Very low | 114 Ų | 114 | 157.6 Ų | 157.6 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | | | trans | -115.9 | 113.1 | 144.8 | 10.9 | 9.8 | 0 | 0 | 0 | 107.6 | G72 | G72-P74 WeakPolarHBondContact O-CD 3.38Š|
| 75 | S | 38.7 | Very low | 45.1 | Very low | 85 Ų | 85 | 159.4 Ų | 159.4 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | | | | 56.5 | 111.4 | 93.7 | -171.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 76 | D | 50.8 | Low | 45 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | | 39.4 | 106.1 | 127.5 | -41.2 | -53.3 | 0 | 0 | 0 | 117.2 | | |
| 77 | N | 49.5 | Very low | 45 | Very low | 151 Ų | 151 | 162 Ų | 162 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | | | trans | 139.4 | 94.5 | 144.4 | -79.7 | -52.3 | 0 | 0 | 0 | 112.2 | | |
| 78 | R | 45.7 | Very low | 45.1 | Very low | 249 Ų | 249 | 154.1 Ų | 154.1 | 94% | 0.94 | 77% | 0.769 | S | S | * | * | | | trans | -135.7 | 78.7 | 146.4 | -68.8 | -168 | -176.9 | -179.8 | 1.4 | 109.6 | N80 | R78-N80 PolarHBondContact O-N 3.36Š|
| 79 | S | 51.1 | Low | 44.9 | Very low | 90 Ų | 90 | 156.4 Ų | 156.4 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | | | trans | -32.5 | 118.2 | 147.9 | 49.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 80 | N | 46.8 | Very low | 44.9 | Very low | 152 Ų | 152 | 158.7 Ų | 158.7 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | -177.7 | 72 | 153.8 | -84.9 | -19.9 | 0 | 0 | 0 | 105.1 | R78 | R78-N80 PolarHBondContact O-N 3.36Š|
| 81 | Q | 53.8 | Low | 44.6 | Very low | 150 Ų | 150 | 158.9 Ų | 158.9 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | | 21.6 | 106 | 92.4 | -66.6 | -172.7 | 44.4 | 0 | 0 | 111.6 | | |
| 82 | W | 43.3 | Very low | 44.7 | Very low | 199 Ų | 199 | 151.8 Ų | 151.8 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | | 163.6 | 107.7 | 123.8 | -74.3 | 117.5 | 0 | 0 | 0 | 111.3 | | |
| 83 | H | 45.6 | Very low | 44.9 | Very low | 151 Ų | 151 | 157.7 Ų | 157.7 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | trans | 72.6 | 109.8 | 153.9 | -50.9 | -59.3 | 0 | 0 | 0 | 120.5 | R85 | H83-R85 PolarHBondContact O-N 3.24Š|
| 84 | G | 48.6 | Very low | 44.9 | Very low | 83 Ų | 83 | 153.2 Ų | 153.2 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -51.3 | 130.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 85 | R | 45.3 | Very low | 44.6 | Very low | 233 Ų | 233 | 159 Ų | 159 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -107 | 102.6 | 171.9 | -70.6 | -176.1 | -177.6 | -97.4 | 0.1 | 108.4 | H83 | H83-R85 PolarHBondContact O-N 3.24Š|
| 86 | S | 39.6 | Very low | 44.7 | Very low | 117 Ų | 117 | 163.3 Ų | 163.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -68.7 | 129.1 | 166.3 | -166.3 | 0 | 0 | 0 | 0 | 109 | G88 | S86-G88 PolarHBondContact O-N 2.96Š|
| 87 | W | 41.6 | Very low | 44.1 | Very low | 263 Ų | 263 | 164.7 Ų | 164.7 | 100% | 0.996 | 80% | 0.8 | S | S | * | * | | | trans | -74.3 | 103 | 172 | -71.8 | 75.4 | 0 | 0 | 0 | 108.5 | | |
| 88 | G | 40.4 | Very low | 44 | Very low | 56 Ų | 56 | 162.4 Ų | 162.4 | 58% | 0.577 | 79% | 0.793 | S | S | * | * | | | trans | -173.6 | 109.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S86 | S86-G88 PolarHBondContact O-N 2.96Š|
| 89 | N | 37.3 | Very low | 43.9 | Very low | 164 Ų | 164 | 160.2 Ų | 160.2 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | 58.7 | 106.5 | 147.6 | -55.2 | -37.4 | 0 | 0 | 0 | 119 | | |
| 90 | N | 39.3 | Very low | 43.2 | Very low | 160 Ų | 160 | 165.9 Ų | 165.9 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | -109.2 | 102.2 | 165.4 | -160.3 | -84.5 | 0 | 0 | 0 | 109.1 | | |
| 91 | Y | 42.3 | Very low | 43.4 | Very low | 215 Ų | 215 | 163.1 Ų | 163.1 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -117.6 | 143.9 | 159.8 | -94 | -91.1 | 0 | 0 | 0 | 107.7 | Q93 | Y91-Q93 PolarHBondContact O-N 2.87Š|
| 92 | P | 48.5 | Very low | 42.6 | Very low | 95 Ų | 95 | 164.7 Ų | 164.7 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | | | trans | -72.6 | 118.4 | -175.4 | 26.8 | -31.3 | 0 | 0 | 0 | 111.6 | H94 | P92-H94 PolarHBondContact O-N 3.36Š|
| 93 | Q | 42.4 | Very low | 42.8 | Very low | 193 Ų | 193 | 163.6 Ų | 163.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -70.3 | 107.6 | 168.7 | -95.2 | -122.5 | -25 | 0 | 0 | 110 | Y91 | Y91-Q93 PolarHBondContact O-N 2.87Š|
| 94 | H | 44.9 | Very low | 42.4 | Very low | 161 Ų | 161 | 167.3 Ų | 167.3 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | | | trans | -97.3 | 113.6 | 161.3 | -66.1 | -90.2 | 0 | 0 | 0 | 108.8 | P92 | P92-H94 PolarHBondContact O-N 3.36Š|
| 95 | R | 40.2 | Very low | 41.9 | Very low | 235 Ų | 235 | 166.4 Ų | 166.4 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | | 152.9 | 120.6 | 126.6 | -82.6 | 176.2 | -170.1 | -111.3 | 2.8 | 111.1 | | |
| 96 | Q | 41.4 | Very low | 41.5 | Very low | 176 Ų | 176 | 164.3 Ų | 164.3 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -75.4 | 166.6 | 152.3 | -58.9 | -169.5 | 32 | 0 | 0 | 109.2 | | |
| 97 | E | 38.6 | Very low | 41.5 | Very low | 165 Ų | 165 | 169.5 Ų | 169.5 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | | | trans | 109.3 | 148.9 | 168.7 | -65.9 | -59 | 156.9 | 0 | 0 | 116.6 | | |
| 98 | P | 48.2 | Very low | 41.4 | Very low | 104 Ų | 104 | 160.3 Ų | 160.3 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | | -120.6 | 172.8 | -110.7 | 41.4 | -28.9 | 0 | 0 | 0 | 114.9 | | |
| 99 | Y | 42.8 | Very low | 41.8 | Very low | 203 Ų | 203 | 167.9 Ų | 167.9 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | | | trans | -40.7 | 123.3 | 177.2 | -172.8 | -95.7 | 0 | 0 | 0 | 116.5 | | |
| 100 | Y | 36.7 | Very low | 42.4 | Very low | 208 Ų | 208 | 167.2 Ų | 167.2 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -148.7 | 134.8 | 151.2 | -97.3 | -81.8 | 0 | 0 | 0 | 110.1 | | |
| 101 | P | 50.1 | Low | 43 | Very low | 94 Ų | 94 | 168.7 Ų | 168.7 | 61% | 0.61 | 80% | 0.797 | S | S | * | * | | | trans | -92.8 | 120.4 | 172.7 | 33.2 | -27 | 0 | 0 | 0 | 110.3 | | |
| 102 | Q | 37.9 | Very low | 43.4 | Very low | 184 Ų | 184 | 169.9 Ų | 169.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -125.6 | 104.5 | 165.1 | -74.9 | -179.1 | 3.3 | 0 | 0 | 109.3 | | |
| 103 | Q | 47 | Very low | 43.8 | Very low | 175 Ų | 175 | 170.2 Ų | 170.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -63.1 | 129.7 | 157.9 | -55.6 | 168.2 | -2.6 | 0 | 0 | 106.8 | | |
| 104 | Y | 36.3 | Very low | 44.3 | Very low | 229 Ų | 229 | 167 Ų | 167 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -178.4 | 145.7 | 142.2 | -97.1 | -71 | 0 | 0 | 0 | 109.3 | | |
| 105 | G | 39.8 | Very low | 44.5 | Very low | 64 Ų | 64 | 170.2 Ų | 170.2 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | trans | -69.5 | 148 | -157.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 106 | H | 35.7 | Very low | 44.8 | Very low | 189 Ų | 189 | 162.4 Ų | 162.4 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | | | trans | -109.6 | 106.7 | 166.8 | -71.5 | -58.6 | 0 | 0 | 0 | 109.6 | G108 | H106-G108 PolarHBondContact O-N 3.2Å; H106-G108 VanDerWaalsContact O-N 3.11Å |
| 107 | Y | 40.2 | Very low | 44.8 | Very low | 227 Ų | 227 | 164 Ų | 164 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -61.9 | 101.5 | 159.6 | -67.1 | -89.3 | 0 | 0 | 0 | 108.4 | | |
| 108 | G | 38.6 | Very low | 45.2 | Very low | 70 Ų | 70 | 170.4 Ų | 170.4 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | | | trans | -96.7 | 96.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | H106 N110 | H106-G108 PolarHBondContact O-N 3.2Å; H106-G108 VanDerWaalsContact O-N 3.11Å; G108-N110 PolarHBondContact O-N 3.29Å |
| 109 | Y | 49.3 | Very low | 45 | Very low | 215 Ų | 215 | 173.8 Ų | 173.8 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | trans | -54.8 | 121.1 | 157 | -86.7 | -99 | 0 | 0 | 0 | 108.3 | | |
| 110 | N | 49.5 | Very low | 45.1 | Very low | 150 Ų | 150 | 172.2 Ų | 172.2 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | | | trans | 147.3 | 79.5 | 153.1 | -74.1 | -36.9 | 0 | 0 | 0 | 110.5 | G108 | G108-N110 PolarHBondContact O-N 3.29Š|
| 111 | Q | 52.3 | Low | 45.6 | Very low | 190 Ų | 190 | 170.2 Ų | 170.2 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | | | trans | -133.9 | 98.1 | 156.3 | -67.5 | -76.8 | 40.5 | 0 | 0 | 106.9 | | |
| 112 | R | 50.2 | Low | 45.3 | Very low | 240 Ų | 240 | 174.7 Ų | 174.7 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 131 | 173 | -162.1 | 174.7 | 178.5 | -155.4 | 0 | 107.3 | | |
| 113 | P | 58.4 | Low | 45.8 | Very low | 102 Ų | 102 | 174.1 Ų | 174.1 | 66% | 0.662 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 144.9 | -175.8 | 28.6 | -32.9 | 0 | 0 | 0 | 110.9 | Y115 | P113-Y115 PolarHBondContact O-N 3.42Š|
| 114 | P | 52.7 | Low | 45.7 | Very low | 125 Ų | 125 | 174.1 Ų | 174.1 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 127.1 | 165.7 | 31 | -28.8 | 0 | 0 | 0 | 108.1 | G116 | P114-G116 PolarHBondContact O-N 2.91Š|
| 115 | Y | 48 | Very low | 46.4 | Very low | 229 Ų | 229 | 170.1 Ų | 170.1 | 90% | 0.898 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 129.2 | 166.2 | -95 | -102.3 | 0 | 0 | 0 | 109.6 | P113 | P113-Y115 PolarHBondContact O-N 3.42Š|
| 116 | G | 46.7 | Very low | 46.9 | Very low | 72 Ų | 72 | 178.3 Ų | 178.3 | 74% | 0.742 | 85% | 0.849 | S | S | * | * | | | trans | -151.1 | 121.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P114 | P114-G116 PolarHBondContact O-N 2.91Š|
| 117 | Y | 42.6 | Very low | 47.8 | Very low | 208 Ų | 208 | 177.4 Ų | 177.4 | 82% | 0.816 | 85% | 0.847 | S | S | * | * | | | trans | -74.2 | 161.8 | -176.2 | -82.3 | -106.9 | 0 | 0 | 0 | 113.3 | | |
| 118 | Y | 45.6 | Very low | 48.5 | Very low | 301 Ų | 301 | 172.9 Ų | 172.9 | 100% | 1.18 | 84% | 0.843 | S | S | * | * | | | trans | 87.5 | 0 | 173 | -76.1 | -88.7 | 0 | 0 | 0 | 117.3 | | |