| 1 | P | 78.8 | Confident | 93.5 | Very high | 184 Ų | 184 | 109.8 Ų | 109.8 | 100% | 1.195 | 61% | 0.607 | S | S | * | * | | | | 0 | 145.3 | 0 | -12.6 | 30.6 | 0 | 0 | 0 | 111 | G3 | P1-G3 PolarHBondContact O-N 2.85Š|
| 2 | Q | 86.9 | Confident | 93.7 | Very high | 163 Ų | 163 | 101.1 Ų | 101.1 | 76% | 0.762 | 56% | 0.559 | S | S | * | * | | | trans | -77.1 | 24.9 | -169.3 | -60 | 179.9 | -0.1 | 0 | 0 | 115.2 | K4 Y15 | Q2-K4 PolarHBondContact O-N 3.4Å; Q2-Y15 PolarHBondContact OE1-OH 3.24Å; Q2-Y15 VanDerWaalsContact OE1-OH 3.12Å |
| 3 | G | 93.2 | Very high | 93.9 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 78% | 0.784 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 65.9 | -6 | -178 | 0 | 0 | 0 | 0 | 0 | 116.4 | P1 | P1-G3 PolarHBondContact O-N 2.85Š|
| 4 | K | 94.4 | Very high | 94.1 | Very high | 115 Ų | 115 | 94.2 Ų | 94.2 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | | | trans | -72.6 | 127.8 | -178.6 | -169.6 | 172.3 | -179.8 | -176.3 | 0 | 111.7 | Q2 F6 Y15 | Q2-K4 PolarHBondContact O-N 3.4Å; K4-F6 HydrophobicContact CB-CZ 4.4Å; K4-F6 HydrophobicContact CD-CE1 4Å; K4-F6 HydrophobicContact CD-CZ 3.76Å; K4-F6 HydrophobicContact CG-CE1 4.16Å; K4-F6 HydrophobicContact CG-CE2 4.39Å; K4-F6 HydrophobicContact CG-CZ 3.83Å; K4-Y15 HydrophobicContact CD-CD2 4.18Å; K4-Y15 HydrophobicContact CD-CE2 3.93Å |
| 5 | A | 95.6 | Very high | 94.2 | Very high | 87 Ų | 87 | 90.1 Ų | 90.1 | 72% | 0.719 | 50% | 0.503 | S | S | * | . | | | trans | -101.1 | 151.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 6 | F | 96.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 85.6 Ų | 85.6 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | | | trans | -126.8 | 139.2 | 177.1 | -55.5 | -78.2 | 0 | 0 | 0 | 109.2 | K4 E11 L12 Y15 F31 | K4-F6 HydrophobicContact CB-CZ 4.4Å; K4-F6 HydrophobicContact CD-CE1 4Å; K4-F6 HydrophobicContact CD-CZ 3.76Å; K4-F6 HydrophobicContact CG-CE1 4.16Å; K4-F6 HydrophobicContact CG-CE2 4.39Å; K4-F6 HydrophobicContact CG-CZ 3.83Å; F6-E11 HydrophobicContact CB-CB 4.45Å; F6-E11 HydrophobicContact CD1-CB 3.99Å; F6-L12 HydrophobicContact CB-CB 4.28Å; F6-L12 HydrophobicContact CD1-CB 4.38Å; F6-L12 HydrophobicContact CD2-CB 4.49Å; F6-L12 HydrophobicContact CD2-CD1 4.17Å; F6-L12 HydrophobicContact CG-CB 4.12Å; F6-Y15 AromaticContact CE1-CD1 3.94Å; F6-Y15 HydrophobicContact CE1-CD1 3.94Å; F6-Y15 HydrophobicContact CE1-CD2 4.4Å; F6-Y15 AromaticContact CE1-CG 3.68Å; F6-Y15 HydrophobicContact CE1-CG 3.68Å; F6-Y15 HydrophobicContact CE2-CD1 4.21Å; F6-Y15 AromaticContact CZ-CD1 3.33Å; F6-Y15 HydrophobicContact CZ-CD1 3.33Å; F6-Y15 HydrophobicContact CZ-CD2 4.32Å; F6-Y15 AromaticContact CZ-CE1 3.91Å; F6-Y15 HydrophobicContact CZ-CE1 3.91Å; F6-Y15 AromaticContact CZ-CG 3.55Å; F6-Y15 HydrophobicContact CZ-CG 3.55Å; F6-F31 HydrophobicContact CB-CE1 4.16Å |
| 7 | R | 96.1 | Very high | 94.4 | Very high | 226 Ų | 226 | 89.3 Ų | 89.3 | 85% | 0.853 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -101.8 | -15.4 | 179.5 | -65.6 | -178.2 | 175.8 | 133.5 | -1.2 | 113.2 | E11 | R7-E11 PolarHBondContact N-OE2 3.41Š|
| 8 | S | 96.3 | Very high | 94.4 | Very high | 39 Ų | 39 | 94.4 Ų | 94.4 | 27% | 0.273 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -144.7 | 157 | 178 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | V10 E11 L12 F31 | S8-V10 PolarHBondContact O-N 3.03Å; S8-E11 WeakPolarHBondContact CB-OE1 3.38Å; S8-E11 PolarHBondContact N-OE1 3.28Å; S8-E11 PolarHBondContact O-N 3.44Å; S8-E11 VanDerWaalsContact OG-CD 3.3Å; S8-E11 WeakPolarHBondContact OG-CG 3.48Å; S8-E11 PolarHBondContact OG-N 2.91Å; S8-E11 PolarHBondContact OG-OE1 3.19Å; S8-L12 PolarHBondContact O-N 2.97Å; S8-F31 WeakPolarHBondContact O-CE1 3.4Å; S8-F31 WeakPolarHBondContact O-CZ 3.45Å |
| 9 | K | 96.4 | Very high | 94.4 | Very high | 77 Ų | 77 | 93.2 Ų | 93.2 | 34% | 0.335 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58 | -32.7 | 174.7 | -171.1 | -175.7 | 176.5 | -173.8 | 0 | 112.2 | L12 I13 P26 N27 F31 | K9-L12 PolarHBondContact O-N 3.07Å; K9-I13 HydrophobicContact CD-CD1 4.37Å; K9-I13 HydrophobicContact CG-CD1 3.96Å; K9-I13 HydrophobicContact CG-CG1 4.37Å; K9-I13 VanDerWaalsContact O-CG1 3.28Å; K9-I13 WeakPolarHBondContact O-CG1 3.5Å; K9-I13 PolarHBondContact O-N 2.95Å; K9-P26 WeakPolarHBondContact CE-O 3.46Å; K9-P26 HydrophobicContact CG-CB 4.11Å; K9-N27 PolarHBondContact NZ-OD1 3.33Å; K9-F31 VanDerWaalsContact CA-CE2 3.44Å; K9-F31 HydrophobicContact CB-CD2 4.05Å; K9-F31 HydrophobicContact CB-CE2 3.76Å; K9-F31 HydrophobicContact CG-CE2 4.37Å |
| 10 | V | 97.8 | Very high | 94.4 | Very high | 108 Ų | 108 | 91.4 Ų | 91.4 | 66% | 0.655 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 180 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | S8 L12 I13 A14 | S8-V10 PolarHBondContact O-N 3.03Å; V10-L12 VanDerWaalsContact C-N 3.27Å; V10-L12 PolarHBondContact O-N 3.12Å; V10-I13 PolarHBondContact O-N 2.78Å; V10-A14 WeakPolarHBondContact O-CB 3.45Å; V10-A14 PolarHBondContact O-N 2.87Å |
| 11 | E | 96.3 | Very high | 94.3 | Very high | 82 Ų | 82 | 90 Ų | 90 | 38% | 0.383 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 174.5 | -67.7 | 155.5 | -129.1 | 0 | 0 | 112.5 | F6 R7 S8 Y15 | F6-E11 HydrophobicContact CB-CB 4.45Å; F6-E11 HydrophobicContact CD1-CB 3.99Å; R7-E11 PolarHBondContact N-OE2 3.41Å; S8-E11 WeakPolarHBondContact CB-OE1 3.38Å; S8-E11 PolarHBondContact N-OE1 3.28Å; S8-E11 PolarHBondContact O-N 3.44Å; S8-E11 VanDerWaalsContact OG-CD 3.3Å; S8-E11 WeakPolarHBondContact OG-CG 3.48Å; S8-E11 PolarHBondContact OG-N 2.91Å; S8-E11 PolarHBondContact OG-OE1 3.19Å; E11-Y15 VanDerWaalsContact O-CB 3.26Å; E11-Y15 WeakPolarHBondContact O-CB 3.28Å; E11-Y15 PolarHBondContact O-N 2.99Å; E11-Y15 VanDerWaalsContact O-N 3.1Å |
| 12 | L | 96.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 88 Ų | 88 | 3% | 0.026 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -75 | -41.9 | 179.3 | -177.1 | 147.6 | 0 | 0 | 0 | 111.5 | F6 S8 K9 V10 Y15 F16 P26 F29 F31 | F6-L12 HydrophobicContact CB-CB 4.28Å; F6-L12 HydrophobicContact CD1-CB 4.38Å; F6-L12 HydrophobicContact CD2-CB 4.49Å; F6-L12 HydrophobicContact CD2-CD1 4.17Å; F6-L12 HydrophobicContact CG-CB 4.12Å; S8-L12 PolarHBondContact O-N 2.97Å; K9-L12 PolarHBondContact O-N 3.07Å; V10-L12 VanDerWaalsContact C-N 3.27Å; V10-L12 PolarHBondContact O-N 3.12Å; L12-Y15 PolarHBondContact O-N 2.73Å; L12-F16 HydrophobicContact CD1-CZ 4.39Å; L12-F16 HydrophobicContact CD2-CD2 3.88Å; L12-F16 HydrophobicContact CD2-CE1 4.33Å; L12-F16 HydrophobicContact CD2-CE2 3.43Å; L12-F16 VanDerWaalsContact CD2-CE2 3.43Å; L12-F16 HydrophobicContact CD2-CG 4.49Å; L12-F16 HydrophobicContact CD2-CZ 3.68Å; L12-F16 HydrophobicContact CG-CE1 4.24Å; L12-F16 HydrophobicContact CG-CE2 4.21Å; L12-F16 HydrophobicContact CG-CZ 3.97Å; L12-F16 WeakPolarHBondContact O-CG 3.47Å; L12-F16 PolarHBondContact O-N 3.25Å; L12-P26 HydrophobicContact CD2-CB 3.67Å; L12-P26 HydrophobicContact CD2-CG 3.79Å; L12-F29 HydrophobicContact CD1-CB 4.12Å; L12-F29 HydrophobicContact CD1-CD1 3.83Å; L12-F29 HydrophobicContact CD1-CD2 3.86Å; L12-F29 HydrophobicContact CD1-CE1 4.23Å; L12-F29 HydrophobicContact CD1-CE2 4.26Å; L12-F29 HydrophobicContact CD1-CG 3.63Å; L12-F29 HydrophobicContact CD1-CZ 4.44Å; L12-F29 HydrophobicContact CD2-CD2 4.05Å; L12-F31 HydrophobicContact CB-CZ 4.14Å; L12-F31 HydrophobicContact CD1-CZ 4.04Å |
| 13 | I | 96.3 | Very high | 95.2 | Very high | 54 Ų | 54 | 84.2 Ų | 84.2 | 28% | 0.277 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.7 | -57 | 170.8 | -69.1 | 161.7 | 0 | 0 | 0 | 110.4 | K9 V10 Y15 F16 E17 P26 | K9-I13 HydrophobicContact CD-CD1 4.37Å; K9-I13 HydrophobicContact CG-CD1 3.96Å; K9-I13 HydrophobicContact CG-CG1 4.37Å; K9-I13 VanDerWaalsContact O-CG1 3.28Å; K9-I13 WeakPolarHBondContact O-CG1 3.5Å; K9-I13 PolarHBondContact O-N 2.95Å; V10-I13 PolarHBondContact O-N 2.78Å; I13-Y15 PolarHBondContact O-N 3.27Å; I13-Y15 VanDerWaalsContact O-N 3.09Å; I13-F16 PolarHBondContact O-N 3.34Å; I13-E17 HydrophobicContact CG2-CG 4.24Å; I13-E17 VanDerWaalsContact CG2-OE1 3.24Å; I13-E17 WeakPolarHBondContact CG2-OE1 3.26Å; I13-E17 WeakPolarHBondContact O-CG 3.41Å; I13-E17 PolarHBondContact O-N 2.97Å; I13-P26 HydrophobicContact CD1-CB 4.37Å; I13-P26 HydrophobicContact CG1-CB 3.66Å; I13-P26 HydrophobicContact CG1-CG 3.72Å |
| 14 | A | 96.8 | Very high | 95.2 | Very high | 52 Ų | 52 | 84.8 Ų | 84.8 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.9 | -19.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V10 K18 | V10-A14 WeakPolarHBondContact O-CB 3.45Å; V10-A14 PolarHBondContact O-N 2.87Å; A14-K18 VanDerWaalsContact O-CB 3.28Å; A14-K18 WeakPolarHBondContact O-CB 3.4Å; A14-K18 PolarHBondContact O-N 3.27Å |
| 15 | Y | 95.6 | Very high | 95.2 | Very high | 32 Ų | 32 | 82.6 Ų | 82.6 | 13% | 0.125 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -78.4 | -48.2 | 170.1 | 178 | -109.2 | 0 | 0 | 0 | 112.4 | Q2 K4 F6 E11 L12 I13 E17 K18 V19 | Q2-Y15 PolarHBondContact OE1-OH 3.24Å; Q2-Y15 VanDerWaalsContact OE1-OH 3.12Å; K4-Y15 HydrophobicContact CD-CD2 4.18Å; K4-Y15 HydrophobicContact CD-CE2 3.93Å; F6-Y15 AromaticContact CE1-CD1 3.94Å; F6-Y15 HydrophobicContact CE1-CD1 3.94Å; F6-Y15 HydrophobicContact CE1-CD2 4.4Å; F6-Y15 AromaticContact CE1-CG 3.68Å; F6-Y15 HydrophobicContact CE1-CG 3.68Å; F6-Y15 HydrophobicContact CE2-CD1 4.21Å; F6-Y15 AromaticContact CZ-CD1 3.33Å; F6-Y15 HydrophobicContact CZ-CD1 3.33Å; F6-Y15 HydrophobicContact CZ-CD2 4.32Å; F6-Y15 AromaticContact CZ-CE1 3.91Å; F6-Y15 HydrophobicContact CZ-CE1 3.91Å; F6-Y15 AromaticContact CZ-CG 3.55Å; F6-Y15 HydrophobicContact CZ-CG 3.55Å; E11-Y15 VanDerWaalsContact O-CB 3.26Å; E11-Y15 WeakPolarHBondContact O-CB 3.28Å; E11-Y15 PolarHBondContact O-N 2.99Å; E11-Y15 VanDerWaalsContact O-N 3.1Å; L12-Y15 PolarHBondContact O-N 2.73Å; I13-Y15 PolarHBondContact O-N 3.27Å; I13-Y15 VanDerWaalsContact O-N 3.09Å; Y15-E17 VanDerWaalsContact C-N 3.34Å; Y15-E17 PolarHBondContact O-N 3.23Å; Y15-K18 PolarHBondContact O-N 2.94Å; Y15-V19 HydrophobicContact CD1-CG2 4.46Å; Y15-V19 HydrophobicContact CD2-CG1 4.05Å; Y15-V19 HydrophobicContact CE1-CG1 4.36Å; Y15-V19 HydrophobicContact CE1-CG2 4.05Å; Y15-V19 HydrophobicContact CE2-CG1 3.47Å; Y15-V19 VanDerWaalsContact CE2-CG1 3.47Å; Y15-V19 WeakPolarHBondContact O-CG2 3.42Å; Y15-V19 PolarHBondContact O-N 3.2Å |
| 16 | F | 95.4 | Very high | 95.2 | Very high | 19 Ų | 19 | 79.6 Ų | 79.6 | 8% | 0.083 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 176.1 | -74.3 | -0.4 | 0 | 0 | 0 | 111.4 | L12 I13 K18 V19 G20 D21 L24 P26 F29 | L12-F16 HydrophobicContact CD1-CZ 4.39Å; L12-F16 HydrophobicContact CD2-CD2 3.88Å; L12-F16 HydrophobicContact CD2-CE1 4.33Å; L12-F16 HydrophobicContact CD2-CE2 3.43Å; L12-F16 VanDerWaalsContact CD2-CE2 3.43Å; L12-F16 HydrophobicContact CD2-CG 4.49Å; L12-F16 HydrophobicContact CD2-CZ 3.68Å; L12-F16 HydrophobicContact CG-CE1 4.24Å; L12-F16 HydrophobicContact CG-CE2 4.21Å; L12-F16 HydrophobicContact CG-CZ 3.97Å; L12-F16 WeakPolarHBondContact O-CG 3.47Å; L12-F16 PolarHBondContact O-N 3.25Å; I13-F16 PolarHBondContact O-N 3.34Å; F16-K18 VanDerWaalsContact C-N 3.28Å; F16-K18 PolarHBondContact O-N 2.91Å; F16-V19 PolarHBondContact O-N 3.46Å; F16-G20 CarbonylContact O-C 3.59Å; F16-G20 WeakPolarHBondContact O-CA 3.43Å; F16-G20 PolarHBondContact O-N 3.29Å; F16-D21 HydrophobicContact CB-CB 4.29Å; F16-D21 WeakPolarHBondContact CB-O 3.38Å; F16-D21 HydrophobicContact CD1-CB 3.89Å; F16-D21 HydrophobicContact CE1-CB 4.47Å; F16-D21 HydrophobicContact CG-CB 4.11Å; F16-D21 PolarHBondContact O-N 3.4Å; F16-L24 HydrophobicContact CE2-CB 3.73Å; F16-L24 VanDerWaalsContact CE2-O 3.26Å; F16-L24 WeakPolarHBondContact CE2-O 3.46Å; F16-L24 HydrophobicContact CZ-CB 3.78Å; F16-L24 HydrophobicContact CZ-CD1 3.99Å; F16-P26 HydrophobicContact CD2-CG 3.86Å; F16-P26 HydrophobicContact CE2-CG 4.12Å; F16-F29 HydrophobicContact CE2-CE2 4.38Å; F16-F29 HydrophobicContact CZ-CE2 4.15Å |
| 17 | E | 95.7 | Very high | 95 | Very high | 148 Ų | 148 | 80.9 Ų | 80.9 | 69% | 0.692 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -55.7 | -40.9 | 171.7 | -70.4 | 170.7 | 172.1 | 0 | 0 | 112.2 | I13 Y15 | I13-E17 HydrophobicContact CG2-CG 4.24Å; I13-E17 VanDerWaalsContact CG2-OE1 3.24Å; I13-E17 WeakPolarHBondContact CG2-OE1 3.26Å; I13-E17 WeakPolarHBondContact O-CG 3.41Å; I13-E17 PolarHBondContact O-N 2.97Å; Y15-E17 VanDerWaalsContact C-N 3.34Å; Y15-E17 PolarHBondContact O-N 3.23Å |
| 18 | K | 95.7 | Very high | 94.9 | Very high | 181 Ų | 181 | 76.2 Ų | 76.2 | 79% | 0.787 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -75.1 | -28.6 | -178.8 | -179.2 | 167.8 | -178.4 | 171.7 | 0 | 114.2 | A14 Y15 F16 | A14-K18 VanDerWaalsContact O-CB 3.28Å; A14-K18 WeakPolarHBondContact O-CB 3.4Å; A14-K18 PolarHBondContact O-N 3.27Å; Y15-K18 PolarHBondContact O-N 2.94Å; F16-K18 VanDerWaalsContact C-N 3.28Å; F16-K18 PolarHBondContact O-N 2.91Å |
| 19 | V | 94 | Very high | 94.7 | Very high | 71 Ų | 71 | 78.2 Ų | 78.2 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -102.8 | -5.7 | 179 | -55 | 0 | 0 | 0 | 0 | 113.9 | Y15 F16 D21 | Y15-V19 HydrophobicContact CD1-CG2 4.46Å; Y15-V19 HydrophobicContact CD2-CG1 4.05Å; Y15-V19 HydrophobicContact CE1-CG1 4.36Å; Y15-V19 HydrophobicContact CE1-CG2 4.05Å; Y15-V19 HydrophobicContact CE2-CG1 3.47Å; Y15-V19 VanDerWaalsContact CE2-CG1 3.47Å; Y15-V19 WeakPolarHBondContact O-CG2 3.42Å; Y15-V19 PolarHBondContact O-N 3.2Å; F16-V19 PolarHBondContact O-N 3.46Å; V19-D21 HydrophobicContact CG2-CB 3.77Å |
| 20 | G | 94.4 | Very high | 94.6 | Very high | 57 Ų | 57 | 77.3 Ų | 77.3 | 59% | 0.588 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 17 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | F16 T22 | F16-G20 CarbonylContact O-C 3.59Å; F16-G20 WeakPolarHBondContact O-CA 3.43Å; F16-G20 PolarHBondContact O-N 3.29Å; G20-T22 PolarHBondContact O-N 3.1Å |
| 21 | D | 91.4 | Very high | 94.3 | Very high | 64 Ų | 64 | 75.8 Ų | 75.8 | 34% | 0.342 | 41% | 0.414 | S | S | . | . | | | trans | -76 | 94.5 | -178.6 | -111 | -46.7 | 0 | 0 | 0 | 111.1 | F16 V19 S23 | F16-D21 HydrophobicContact CB-CB 4.29Å; F16-D21 WeakPolarHBondContact CB-O 3.38Å; F16-D21 HydrophobicContact CD1-CB 3.89Å; F16-D21 HydrophobicContact CE1-CB 4.47Å; F16-D21 HydrophobicContact CG-CB 4.11Å; F16-D21 PolarHBondContact O-N 3.4Å; V19-D21 HydrophobicContact CG2-CB 3.77Å; D21-S23 VanDerWaalsContact C-N 3.34Å; D21-S23 PolarHBondContact OD1-OG 3.04Å |
| 22 | T | 92.2 | Very high | 94 | Very high | 142 Ų | 142 | 75.2 Ų | 75.2 | 87% | 0.871 | 42% | 0.417 | S | S | * | . | | | trans | -93.9 | 4 | 168.5 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | G20 L24 | G20-T22 PolarHBondContact O-N 3.1Å; T22-L24 VanDerWaalsContact C-N 3.31Å; T22-L24 PolarHBondContact O-N 2.96Å |
| 23 | S | 93.6 | Very high | 93.6 | Very high | 83 Ų | 83 | 82.5 Ų | 82.5 | 58% | 0.58 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -73.6 | -15.9 | -174.1 | 66 | 0 | 0 | 0 | 0 | 114.7 | D21 | D21-S23 VanDerWaalsContact C-N 3.34Å; D21-S23 PolarHBondContact OD1-OG 3.04Å |
| 24 | L | 93.2 | Very high | 93 | Very high | 87 Ų | 87 | 86.1 Ų | 86.1 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -138.3 | 133.8 | -172.1 | -65.4 | 170.9 | 0 | 0 | 0 | 110.1 | F16 T22 P26 F29 | F16-L24 HydrophobicContact CE2-CB 3.73Å; F16-L24 VanDerWaalsContact CE2-O 3.26Å; F16-L24 WeakPolarHBondContact CE2-O 3.46Å; F16-L24 HydrophobicContact CZ-CB 3.78Å; F16-L24 HydrophobicContact CZ-CD1 3.99Å; T22-L24 VanDerWaalsContact C-N 3.31Å; T22-L24 PolarHBondContact O-N 2.96Å; L24-P26 WeakPolarHBondContact O-CD 3.23Å; L24-F29 HydrophobicContact CB-CE2 4.19Å; L24-F29 HydrophobicContact CD1-CZ 4.3Å |
| 25 | D | 94.7 | Very high | 92.3 | Very high | 70 Ų | 70 | 84.9 Ų | 84.9 | 37% | 0.374 | 48% | 0.478 | S | S | . | . | | | trans | -84.8 | 122.2 | 176.5 | -173.9 | -10.1 | 0 | 0 | 0 | 111.5 | N27 D28 F29 | D25-N27 PolarHBondContact O-N 2.96Å; D25-N27 WeakPolarHBondContact OD1-CB 3.15Å; D25-N27 VanDerWaalsContact OD1-CG 3.28Å; D25-N27 PolarHBondContact OD1-N 3.49Å; D25-N27 PolarHBondContact OD1-ND2 3.09Å; D25-N27 WeakPolarHBondContact OD2-CB 3.28Å; D25-N27 PolarHBondContact OD2-ND2 3.06Å; D25-D28 PolarHBondContact O-N 2.89Å; D25-D28 VanDerWaalsContact O-N 3.15Å; D25-F29 WeakPolarHBondContact O-CD2 3.42Å |
| 26 | P | 93.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 91.7 Ų | 91.7 | 15% | 0.149 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -18.2 | 168.8 | -27.5 | 36.2 | 0 | 0 | 0 | 116.1 | K9 L12 I13 F16 L24 | K9-P26 WeakPolarHBondContact CE-O 3.46Å; K9-P26 HydrophobicContact CG-CB 4.11Å; L12-P26 HydrophobicContact CD2-CB 3.67Å; L12-P26 HydrophobicContact CD2-CG 3.79Å; I13-P26 HydrophobicContact CD1-CB 4.37Å; I13-P26 HydrophobicContact CG1-CB 3.66Å; I13-P26 HydrophobicContact CG1-CG 3.72Å; F16-P26 HydrophobicContact CD2-CG 3.86Å; F16-P26 HydrophobicContact CE2-CG 4.12Å; L24-P26 WeakPolarHBondContact O-CD 3.23Å |
| 27 | N | 93.9 | Very high | 90.1 | Very high | 79 Ų | 79 | 92.8 Ų | 92.8 | 42% | 0.422 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -31.3 | 176.8 | -66.2 | -52.9 | 0 | 0 | 0 | 113.9 | K9 D25 F29 R36 | K9-N27 PolarHBondContact NZ-OD1 3.33Å; D25-N27 PolarHBondContact O-N 2.96Å; D25-N27 WeakPolarHBondContact OD1-CB 3.15Å; D25-N27 VanDerWaalsContact OD1-CG 3.28Å; D25-N27 PolarHBondContact OD1-N 3.49Å; D25-N27 PolarHBondContact OD1-ND2 3.09Å; D25-N27 WeakPolarHBondContact OD2-CB 3.28Å; D25-N27 PolarHBondContact OD2-ND2 3.06Å; N27-F29 VanDerWaalsContact C-N 3.32Å; N27-R36 PolarHBondContact O-NH1 3.49Å; N27-R36 PolarHBondContact O-NH2 2.67Å; N27-R36 VanDerWaalsContact O-NH2 3.12Å |
| 28 | D | 93.4 | Very high | 88.4 | Confident | 128 Ų | 128 | 89.8 Ų | 89.8 | 68% | 0.684 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -27 | -179 | -71.4 | -27.5 | 0 | 0 | 0 | 111.8 | D25 D30 | D25-D28 PolarHBondContact O-N 2.89Å; D25-D28 VanDerWaalsContact O-N 3.15Å; D28-D30 PolarHBondContact O-N 2.84Å |
| 29 | F | 92.4 | Very high | 86.9 | Confident | 80 Ų | 80 | 85.5 Ų | 85.5 | 35% | 0.351 | 51% | 0.507 | S | S | . | . | | | trans | -70.5 | 124.6 | 174.1 | -67.9 | -87.1 | 0 | 0 | 0 | 111.6 | L12 F16 L24 D25 N27 F31 | L12-F29 HydrophobicContact CD1-CB 4.12Å; L12-F29 HydrophobicContact CD1-CD1 3.83Å; L12-F29 HydrophobicContact CD1-CD2 3.86Å; L12-F29 HydrophobicContact CD1-CE1 4.23Å; L12-F29 HydrophobicContact CD1-CE2 4.26Å; L12-F29 HydrophobicContact CD1-CG 3.63Å; L12-F29 HydrophobicContact CD1-CZ 4.44Å; L12-F29 HydrophobicContact CD2-CD2 4.05Å; F16-F29 HydrophobicContact CE2-CE2 4.38Å; F16-F29 HydrophobicContact CZ-CE2 4.15Å; L24-F29 HydrophobicContact CB-CE2 4.19Å; L24-F29 HydrophobicContact CD1-CZ 4.3Å; D25-F29 WeakPolarHBondContact O-CD2 3.42Å; N27-F29 VanDerWaalsContact C-N 3.32Å; F29-F31 HydrophobicContact CB-CE2 3.77Å; F29-F31 HydrophobicContact CB-CZ 4.3Å |
| 30 | D | 92.9 | Very high | 85.3 | Confident | 58 Ų | 58 | 85.5 Ų | 85.5 | 31% | 0.31 | 51% | 0.509 | S | S | . | . | | | trans | -109.8 | 114.8 | -178.6 | -174.3 | 6.5 | 0 | 0 | 0 | 110.7 | D28 T32 G35 R36 | D28-D30 PolarHBondContact O-N 2.84Å; D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 VanDerWaalsContact CG-OG1 3.28Å; D30-T32 WeakPolarHBondContact OD1-CB 3.2Å; D30-T32 PolarHBondContact OD1-N 3.38Å; D30-T32 PolarHBondContact OD1-OG1 3.42Å; D30-T32 PolarHBondContact OD2-OG1 3.28Å; D30-G35 VanDerWaalsContact OD2-CA 3.28Å; D30-G35 WeakPolarHBondContact OD2-CA 3.28Å; D30-R36 IonicContact OD1-NE 3.76Å; D30-R36 WeakPolarHBondContact OD2-CB 3.42Å; D30-R36 WeakPolarHBondContact OD2-CD 3.38Å; D30-R36 WeakPolarHBondContact OD2-CG 3.26Å; D30-R36 PolarHBondContact OD2-N 3.33Å; D30-R36 IonicContact OD2-NE 3.91Å |
| 31 | F | 92.2 | Very high | 83.7 | Confident | 76 Ų | 76 | 93 Ų | 93 | 33% | 0.333 | 52% | 0.52 | S | S | . | . | | | trans | -92.8 | 7.6 | -178.7 | -66.6 | -92.4 | 0 | 0 | 0 | 112.7 | F6 S8 K9 L12 F29 | F6-F31 HydrophobicContact CB-CE1 4.16Å; S8-F31 WeakPolarHBondContact O-CE1 3.4Å; S8-F31 WeakPolarHBondContact O-CZ 3.45Å; K9-F31 VanDerWaalsContact CA-CE2 3.44Å; K9-F31 HydrophobicContact CB-CD2 4.05Å; K9-F31 HydrophobicContact CB-CE2 3.76Å; K9-F31 HydrophobicContact CG-CE2 4.37Å; L12-F31 HydrophobicContact CB-CZ 4.14Å; L12-F31 HydrophobicContact CD1-CZ 4.04Å; F29-F31 HydrophobicContact CB-CE2 3.77Å; F29-F31 HydrophobicContact CB-CZ 4.3Å |
| 32 | T | 90.6 | Very high | 82.3 | Confident | 71 Ų | 71 | 99.8 Ų | 99.8 | 44% | 0.436 | 54% | 0.541 | S | S | . | . | | | trans | -82.1 | 127.7 | 174.5 | 62 | 0 | 0 | 0 | 0 | 111 | D30 T34 G35 R36 | D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 VanDerWaalsContact CG-OG1 3.28Å; D30-T32 WeakPolarHBondContact OD1-CB 3.2Å; D30-T32 PolarHBondContact OD1-N 3.38Å; D30-T32 PolarHBondContact OD1-OG1 3.42Å; D30-T32 PolarHBondContact OD2-OG1 3.28Å; T32-T34 PolarHBondContact O-N 2.97Å; T32-T34 VanDerWaalsContact O-N 3.16Å; T32-G35 WeakPolarHBondContact O-CA 3.24Å; T32-G35 PolarHBondContact O-N 3.47Å; T32-G35 VanDerWaalsContact OG1-CA 3.23Å; T32-G35 WeakPolarHBondContact OG1-CA 3.46Å; T32-G35 PolarHBondContact OG1-O 3.15Å; T32-R36 PolarHBondContact OG1-N 3.37Å |
| 33 | V | 87.3 | Confident | 81.3 | Confident | 157 Ų | 157 | 100.3 Ų | 100.3 | 95% | 0.952 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.3 | -176.2 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 34 | T | 82.9 | Confident | 80.1 | Confident | 130 Ų | 130 | 103.6 Ų | 103.6 | 80% | 0.798 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -9.9 | 174.1 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | T32 | T32-T34 PolarHBondContact O-N 2.97Å; T32-T34 VanDerWaalsContact O-N 3.16Å |
| 35 | G | 82.8 | Confident | 79 | Confident | 27 Ų | 27 | 107.3 Ų | 107.3 | 28% | 0.278 | 55% | 0.552 | S | S | . | * | | | trans | 61.8 | 169.5 | -156 | 0 | 0 | 0 | 0 | 0 | 113.6 | D30 T32 G37 | D30-G35 VanDerWaalsContact OD2-CA 3.28Å; D30-G35 WeakPolarHBondContact OD2-CA 3.28Å; T32-G35 WeakPolarHBondContact O-CA 3.24Å; T32-G35 PolarHBondContact O-N 3.47Å; T32-G35 VanDerWaalsContact OG1-CA 3.23Å; T32-G35 WeakPolarHBondContact OG1-CA 3.46Å; T32-G35 PolarHBondContact OG1-O 3.15Å; G35-G37 PolarHBondContact O-N 2.85Å |
| 36 | R | 76.3 | Confident | 78 | Confident | 174 Ų | 174 | 109.4 Ų | 109.4 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -63.9 | 14.8 | 168 | -74.5 | 158.9 | -171.8 | -176.6 | 7.2 | 113.3 | N27 D30 T32 | N27-R36 PolarHBondContact O-NH1 3.49Å; N27-R36 PolarHBondContact O-NH2 2.67Å; N27-R36 VanDerWaalsContact O-NH2 3.12Å; D30-R36 IonicContact OD1-NE 3.76Å; D30-R36 WeakPolarHBondContact OD2-CB 3.42Å; D30-R36 WeakPolarHBondContact OD2-CD 3.38Å; D30-R36 WeakPolarHBondContact OD2-CG 3.26Å; D30-R36 PolarHBondContact OD2-N 3.33Å; D30-R36 IonicContact OD2-NE 3.91Å; T32-R36 PolarHBondContact OG1-N 3.37Å |
| 37 | G | 68.3 | Low | 77.1 | Confident | 43 Ų | 43 | 114 Ų | 114 | 44% | 0.443 | 60% | 0.6 | S | S | . | * | | | trans | 76.6 | 138.5 | -164.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G35 | G35-G37 PolarHBondContact O-N 2.85Š|
| 38 | S | 60.5 | Low | 76.2 | Confident | 84 Ų | 84 | 120.2 Ų | 120.2 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | | | trans | -53.7 | 129.9 | 176.3 | -41.4 | 0 | 0 | 0 | 0 | 110.5 | S40 R41 | S38-S40 PolarHBondContact O-N 2.89Å; S38-S40 VanDerWaalsContact O-N 3.14Å; S38-R41 WeakPolarHBondContact O-CB 3.46Å; S38-R41 PolarHBondContact O-N 2.68Å |
| 39 | P | 63.6 | Low | 75.3 | Confident | 92 Ų | 92 | 123.2 Ų | 123.2 | 60% | 0.597 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -50.9 | -42.4 | -178.2 | -30.7 | 36 | 0 | 0 | 0 | 113.1 | R41 R42 E43 | P39-R41 PolarHBondContact O-N 3.24Å; P39-R41 VanDerWaalsContact O-N 3.12Å; P39-R42 WeakPolarHBondContact O-CA 3.35Å; P39-R42 WeakPolarHBondContact O-CB 3.46Å; P39-R42 PolarHBondContact O-N 3.41Å; P39-E43 PolarHBondContact O-N 3.4Å |
| 40 | S | 60.3 | Low | 74.6 | Confident | 70 Ų | 70 | 125.4 Ų | 125.4 | 49% | 0.49 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -45 | -42 | 171.1 | -177.8 | 0 | 0 | 0 | 0 | 114.2 | S38 R42 E43 Q44 | S38-S40 PolarHBondContact O-N 2.89Å; S38-S40 VanDerWaalsContact O-N 3.14Å; S40-R42 VanDerWaalsContact C-N 3.35Å; S40-R42 PolarHBondContact O-N 3.5Å; S40-E43 PolarHBondContact O-N 2.87Å; S40-Q44 WeakPolarHBondContact O-CG 3.37Å; S40-Q44 PolarHBondContact O-N 3.16Å |
| 41 | R | 60.7 | Low | 73.6 | Confident | 214 Ų | 214 | 132.4 Ų | 132.4 | 81% | 0.808 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.5 | -25.2 | 179.8 | -169.4 | 176.8 | -178.7 | -130 | -1 | 112.9 | S38 P39 | S38-R41 WeakPolarHBondContact O-CB 3.46Å; S38-R41 PolarHBondContact O-N 2.68Å; P39-R41 PolarHBondContact O-N 3.24Å; P39-R41 VanDerWaalsContact O-N 3.12Å |
| 42 | R | 62.8 | Low | 72.5 | Confident | 208 Ų | 208 | 133.7 Ų | 133.7 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -80.1 | -28.1 | 173.7 | -167.2 | -178.3 | -174.9 | -152.9 | 2.9 | 111.8 | P39 S40 | P39-R42 WeakPolarHBondContact O-CA 3.35Å; P39-R42 WeakPolarHBondContact O-CB 3.46Å; P39-R42 PolarHBondContact O-N 3.41Å; S40-R42 VanDerWaalsContact C-N 3.35Å; S40-R42 PolarHBondContact O-N 3.5Å |
| 43 | E | 70.2 | Confident | 71.7 | Confident | 152 Ų | 152 | 136.2 Ų | 136.2 | 71% | 0.71 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -89.9 | -25.6 | -177.5 | -73.7 | 169.4 | -164.1 | 0 | 0 | 113.5 | P39 S40 K45 | P39-E43 PolarHBondContact O-N 3.4Å; S40-E43 PolarHBondContact O-N 2.87Å; E43-K45 PolarHBondContact O-N 3.05Å |
| 44 | Q | 69.3 | Low | 70.9 | Confident | 153 Ų | 153 | 138.6 Ų | 138.6 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | | | trans | -69.3 | 52.3 | 164.1 | -71.8 | -163.4 | 35.7 | 0 | 0 | 112.9 | S40 | S40-Q44 WeakPolarHBondContact O-CG 3.37Å; S40-Q44 PolarHBondContact O-N 3.16Å |
| 45 | K | 71.1 | Confident | 70.3 | Confident | 164 Ų | 164 | 136.5 Ų | 136.5 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.6 | 153.5 | -68.7 | 172.4 | -175 | 166.4 | 0 | 106.7 | E43 | E43-K45 PolarHBondContact O-N 3.05Š|
| 46 | P | 73.3 | Confident | 69.6 | Low | 115 Ų | 115 | 141.7 Ų | 141.7 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 135.8 | 178.8 | 24 | -33.6 | 0 | 0 | 0 | 109.4 | K48 | P46-K48 PolarHBondContact O-N 3.03Š|
| 47 | P | 74.3 | Confident | 69.2 | Low | 120 Ų | 120 | 136.8 Ų | 136.8 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 128.8 | -175.2 | 22 | -32.8 | 0 | 0 | 0 | 109.7 | K49 | P47-K49 PolarHBondContact O-N 2.7Š|
| 48 | K | 74.6 | Confident | 68.4 | Low | 208 Ų | 208 | 141.9 Ų | 141.9 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | | | trans | -64.6 | 98.7 | 176.6 | -71.6 | 179.8 | -179.4 | 173.9 | 0 | 108.1 | P46 | P46-K48 PolarHBondContact O-N 3.03Š|
| 49 | K | 74.9 | Confident | 68.3 | Low | 192 Ų | 192 | 140.8 Ų | 140.8 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 135 | 171.5 | -64.6 | -172.4 | 178 | -172.6 | 0 | 108.6 | P47 K51 | P47-K49 PolarHBondContact O-N 2.7Å; K49-K51 PolarHBondContact O-N 3.11Å |
| 50 | P | 77.4 | Confident | 68.1 | Low | 125 Ų | 125 | 148 Ų | 148 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 138.7 | 175.5 | 24.4 | -33.3 | 0 | 0 | 0 | 108.9 | S52 | P50-S52 PolarHBondContact O-N 3.03Š|
| 51 | K | 71.8 | Confident | 68.2 | Low | 206 Ų | 206 | 148.6 Ų | 148.6 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 122.5 | 172.7 | -71.3 | 179.6 | 178.3 | 177.1 | 0 | 107.3 | K49 | K49-K51 PolarHBondContact O-N 3.11Š|
| 52 | S | 69 | Low | 68.4 | Low | 103 Ų | 103 | 150.2 Ų | 150.2 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 138.1 | 170.3 | 42.9 | 0 | 0 | 0 | 0 | 109.5 | P50 K54 | P50-S52 PolarHBondContact O-N 3.03Å; S52-K54 PolarHBondContact O-N 3.26Å |
| 53 | P | 75.1 | Confident | 68.4 | Low | 124 Ų | 124 | 143.7 Ų | 143.7 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 134.4 | 172.4 | 25.6 | -33 | 0 | 0 | 0 | 108.8 | A55 | P53-A55 PolarHBondContact O-N 3.43Å; P53-A55 VanDerWaalsContact O-N 3.07Å |
| 54 | K | 69.7 | Low | 68.7 | Low | 206 Ų | 206 | 147.6 Ų | 147.6 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | | | trans | -75 | 102 | -177.9 | -172 | 178.7 | -179.1 | -175.7 | 0 | 108.6 | S52 | S52-K54 PolarHBondContact O-N 3.26Š|
| 55 | A | 70.9 | Confident | 68.6 | Low | 87 Ų | 87 | 145.6 Ų | 145.6 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | | | trans | -54.2 | 135 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P53 G57 | P53-A55 PolarHBondContact O-N 3.43Å; P53-A55 VanDerWaalsContact O-N 3.07Å; A55-G57 PolarHBondContact O-N 3.01Å; A55-G57 VanDerWaalsContact O-N 3.1Å |
| 56 | P | 68.4 | Low | 68.4 | Low | 135 Ų | 135 | 147.6 Ų | 147.6 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | trans | -76.5 | 98.7 | -179 | 30.2 | -33.9 | 0 | 0 | 0 | 111.7 | | |
| 57 | G | 67.2 | Low | 67.5 | Low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | | | trans | 72.1 | 92.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | A55 | A55-G57 PolarHBondContact O-N 3.01Å; A55-G57 VanDerWaalsContact O-N 3.1Å |
| 58 | T | 50.8 | Low | 66.8 | Low | 150 Ų | 150 | 145.4 Ų | 145.4 | 92% | 0.92 | 82% | 0.82 | S | S | * | * | | | trans | -139.4 | 149.2 | 133.6 | 122.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 59 | G | 59.4 | Low | 66 | Low | 61 Ų | 61 | 138.8 Ų | 138.8 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | | | cis | 153.7 | 140.9 | 0.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 60 | R | 58.3 | Low | 64.7 | Low | 245 Ų | 245 | 136.2 Ų | 136.2 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | | | trans | 61.5 | 90.9 | 175.2 | -53 | 176.4 | -172.3 | -113.1 | -2.5 | 115 | R62 | R60-R62 PolarHBondContact O-N 3.15Š|
| 61 | G | 64 | Low | 63.3 | Low | 82 Ų | 82 | 136.4 Ų | 136.4 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | -60.5 | 122.9 | 165 | 0 | 0 | 0 | 0 | 0 | 110.7 | G63 | G61-G63 PolarHBondContact O-N 3.02Š|
| 62 | R | 63.4 | Low | 62.3 | Low | 248 Ų | 248 | 135.6 Ų | 135.6 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | | | trans | -76.5 | 108.6 | 176.1 | -64.4 | -173.2 | -178.9 | -154.7 | -1.2 | 108.6 | R60 R64 | R60-R62 PolarHBondContact O-N 3.15Å; R62-R64 PolarHBondContact O-N 2.83Å |
| 63 | G | 62.6 | Low | 61.2 | Low | 70 Ų | 70 | 136.5 Ų | 136.5 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G61 | G61-G63 PolarHBondContact O-N 3.02Š|
| 64 | R | 76.1 | Confident | 59.7 | Low | 235 Ų | 235 | 138.9 Ų | 138.9 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.8 | 170.7 | -179 | -179.2 | -177.2 | -179.7 | 2.1 | 108.1 | R62 K66 | R62-R64 PolarHBondContact O-N 2.83Å; R64-K66 PolarHBondContact O-N 2.65Å |
| 65 | P | 67.4 | Low | 58.2 | Low | 110 Ų | 110 | 133.8 Ų | 133.8 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 131.2 | 172.8 | 24.3 | -32.7 | 0 | 0 | 0 | 108.4 | G67 | P65-G67 PolarHBondContact O-N 3.12Š|
| 66 | K | 67.4 | Low | 56.7 | Low | 206 Ų | 206 | 133.8 Ų | 133.8 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | | | trans | -62.6 | 114.1 | 175.9 | -69.1 | -76.9 | -174.3 | 164.9 | 0 | 106.7 | R64 | R64-K66 PolarHBondContact O-N 2.65Š|
| 67 | G | 54.7 | Low | 55.4 | Low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | -59.4 | 144.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P65 G69 | P65-G67 PolarHBondContact O-N 3.12Å; G67-G69 PolarHBondContact O-N 2.78Å |
| 68 | S | 59.2 | Low | 54.3 | Low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | | | trans | -47.8 | 123.3 | -177.3 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | T70 | S68-T70 PolarHBondContact O-N 2.85Š|
| 69 | G | 58.7 | Low | 54 | Low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | trans | -75 | 85.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G67 T71 | G67-G69 PolarHBondContact O-N 2.78Å; G69-T71 PolarHBondContact O-N 3.37Å |
| 70 | T | 47.3 | Very low | 53.1 | Low | 139 Ų | 139 | 138.4 Ų | 138.4 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -61.7 | 122.8 | 172.7 | -172.5 | 0 | 0 | 0 | 0 | 110 | S68 R72 | S68-T70 PolarHBondContact O-N 2.85Å; T70-R72 PolarHBondContact O-N 3.3Å |
| 71 | T | 48.6 | Very low | 52.4 | Low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -77.5 | 114.2 | -171.7 | 38 | 0 | 0 | 0 | 0 | 111 | G69 P73 | G69-T71 PolarHBondContact O-N 3.37Å; T71-P73 WeakPolarHBondContact O-CD 3.44Å |
| 72 | R | 49 | Very low | 51.3 | Low | 190 Ų | 190 | 138.3 Ų | 138.3 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | | | trans | -55.9 | 124.3 | 171.4 | 167.7 | -173.8 | 177.4 | -161.1 | 4.2 | 111.7 | T70 | T70-R72 PolarHBondContact O-N 3.3Š|
| 73 | P | 45.9 | Very low | 50.8 | Low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | -72 | 140.7 | 153.4 | 30.1 | -32 | 0 | 0 | 0 | 110.6 | T71 | T71-P73 WeakPolarHBondContact O-CD 3.44Š|
| 74 | K | 44.8 | Very low | 50.3 | Low | 175 Ų | 175 | 138.4 Ų | 138.4 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | | | trans | -105.9 | 113.6 | -178.9 | -85.1 | -178.8 | 171.7 | -179.5 | 0 | 111.7 | | |
| 75 | A | 38 | Very low | 49.3 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | 168.4 | 150 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 76 | A | 40.1 | Very low | 48.5 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | | | cis | -100 | 164.5 | -14.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 77 | T | 39.4 | Very low | 48 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | | | cis | 77.4 | 55.4 | 31.4 | 69.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 78 | S | 45.8 | Very low | 47.8 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -172.3 | 142 | 138.4 | 57.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 79 | E | 42.8 | Very low | 47.6 | Very low | 196 Ų | 196 | 145.6 Ų | 145.6 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | cis | 66 | 129 | 42.3 | -165.2 | 173 | -164.7 | 0 | 0 | 113.5 | | |
| 80 | G | 41.3 | Very low | 47.5 | Very low | 70 Ų | 70 | 147.4 Ų | 147.4 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | 123.3 | 105.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 81 | V | 43.4 | Very low | 48 | Very low | 135 Ų | 135 | 147 Ų | 147 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -68.7 | 126.2 | 156.3 | 170.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 82 | Q | 41.8 | Very low | 48.4 | Very low | 190 Ų | 190 | 144 Ų | 144 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | | | trans | -160.7 | 135.2 | 149.3 | -115.1 | 153.1 | 102.8 | 0 | 0 | 113.4 | | |
| 83 | V | 53.4 | Low | 49.2 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -77.2 | 169.2 | 167.3 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 84 | K | 51.3 | Low | 50.2 | Low | 188 Ų | 188 | 146.1 Ų | 146.1 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | | | trans | 79 | 72.8 | 159.4 | -161.1 | -172.6 | -177 | -177 | 0 | 116.3 | | |
| 85 | R | 55.1 | Low | 51.4 | Low | 252 Ų | 252 | 146 Ų | 146 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | | | trans | -119.4 | 125.1 | 133.3 | -91.1 | -167.4 | -73.2 | 147.1 | -4.2 | 110.9 | | |
| 86 | V | 51.3 | Low | 53.1 | Low | 131 Ų | 131 | 145.8 Ų | 145.8 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | -93.3 | 156.6 | 175.6 | 166.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 87 | L | 55.3 | Low | 55 | Low | 127 Ų | 127 | 149.7 Ų | 149.7 | 67% | 0.665 | 80% | 0.803 | S | S | * | * | | | trans | 65.7 | 82 | 168 | -168.6 | 69.9 | 0 | 0 | 0 | 116.2 | K89 | L87-K89 HydrophobicContact CD1-CB 4.36Å; L87-K89 HydrophobicContact CD1-CD 3.88Å; L87-K89 HydrophobicContact CD1-CG 3.94Å |
| 88 | E | 51.2 | Low | 57 | Low | 201 Ų | 201 | 149.8 Ų | 149.8 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | | | | -121.1 | 102.5 | 123 | -77.2 | -157.3 | 129.8 | 0 | 0 | 108.7 | | |
| 89 | K | 55.3 | Low | 58.2 | Low | 180 Ų | 180 | 149.4 Ų | 149.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -84.6 | 115.5 | 162.7 | -72.3 | 168.3 | -176.8 | 171.8 | 0 | 105.7 | L87 | L87-K89 HydrophobicContact CD1-CB 4.36Å; L87-K89 HydrophobicContact CD1-CD 3.88Å; L87-K89 HydrophobicContact CD1-CG 3.94Å |
| 90 | S | 56.5 | Low | 58.6 | Low | 107 Ų | 107 | 149.1 Ų | 149.1 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 132 | 176.5 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | G92 | S90-G92 PolarHBondContact O-N 3.39Å; S90-G92 VanDerWaalsContact O-N 3.09Å |
| 91 | P | 58.7 | Low | 59.2 | Low | 132 Ų | 132 | 154.6 Ų | 154.6 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 119.3 | -177.7 | 21.9 | -31.8 | 0 | 0 | 0 | 109.4 | | |
| 92 | G | 57.1 | Low | 59.7 | Low | 65 Ų | 65 | 154.7 Ų | 154.7 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 136.8 | -154 | 0 | 0 | 0 | 0 | 0 | 114.2 | S90 L94 | S90-G92 PolarHBondContact O-N 3.39Å; S90-G92 VanDerWaalsContact O-N 3.09Å; G92-L94 PolarHBondContact O-N 3.4Å |
| 93 | K | 65.7 | Low | 60 | Low | 208 Ų | 208 | 150.7 Ų | 150.7 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | | | trans | -75.3 | 55.2 | 161.7 | -65.7 | -171.9 | 178 | -176.8 | 0 | 110.9 | L95 | K93-L95 PolarHBondContact O-N 3.45Å; K93-L95 VanDerWaalsContact O-N 3.14Å |
| 94 | L | 65.6 | Low | 60 | Low | 146 Ų | 146 | 151 Ų | 151 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | -83.3 | 85.1 | 178.2 | -153.7 | 80.8 | 0 | 0 | 0 | 109.1 | G92 V96 | G92-L94 PolarHBondContact O-N 3.4Å; L94-V96 VanDerWaalsContact C-N 3.27Å; L94-V96 HydrophobicContact CD2-CG2 4.01Å; L94-V96 HydrophobicContact CG-CG2 4.26Å; L94-V96 PolarHBondContact O-N 2.78Å |
| 95 | L | 69.6 | Low | 59.4 | Low | 172 Ų | 172 | 145.5 Ų | 145.5 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | | | trans | -71.5 | 81.6 | 177.1 | -68.2 | 176.4 | 0 | 0 | 0 | 110.7 | K93 K97 | K93-L95 PolarHBondContact O-N 3.45Å; K93-L95 VanDerWaalsContact O-N 3.14Å; L95-K97 PolarHBondContact O-N 2.96Å |
| 96 | V | 75.2 | Confident | 58.7 | Low | 96 Ų | 96 | 137.1 Ų | 137.1 | 58% | 0.582 | 78% | 0.781 | S | S | * | * | | | trans | -71.3 | 124.3 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | L94 M98 | L94-V96 VanDerWaalsContact C-N 3.27Å; L94-V96 HydrophobicContact CD2-CG2 4.01Å; L94-V96 HydrophobicContact CG-CG2 4.26Å; L94-V96 PolarHBondContact O-N 2.78Å; V96-M98 VanDerWaalsContact C-N 3.32Å; V96-M98 HydrophobicContact CG1-SD 4.26Å; V96-M98 PolarHBondContact O-N 3.12Å |
| 97 | K | 78.4 | Confident | 58.1 | Low | 169 Ų | 169 | 140.6 Ų | 140.6 | 74% | 0.735 | 79% | 0.785 | S | S | * | * | | | trans | -75.9 | 81.7 | 177.1 | -178.9 | 63.1 | 175.5 | 177.1 | 0 | 109.9 | L95 | L95-K97 PolarHBondContact O-N 2.96Š|
| 98 | M | 81.6 | Confident | 57.4 | Low | 139 Ų | 139 | 139.1 Ų | 139.1 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | | | trans | -58.8 | 139 | 171.6 | -64.4 | -59.4 | -73.4 | 0 | 0 | 110.4 | V96 | V96-M98 VanDerWaalsContact C-N 3.32Å; V96-M98 HydrophobicContact CG1-SD 4.26Å; V96-M98 PolarHBondContact O-N 3.12Å |
| 99 | P | 70.7 | Confident | 56.8 | Low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | | | trans | -68.7 | 140.2 | 170 | 29.9 | -33.5 | 0 | 0 | 0 | 109.6 | Q101 | P99-Q101 PolarHBondContact O-N 2.85Å; P99-Q101 VanDerWaalsContact O-N 3.15Å |
| 100 | F | 51.3 | Low | 55.7 | Low | 190 Ų | 190 | 133.7 Ų | 133.7 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | | | trans | -70.6 | 109.8 | 177.5 | -65.7 | -80.3 | 0 | 0 | 0 | 109.9 | | |
| 101 | Q | 55.8 | Low | 54.8 | Low | 185 Ų | 185 | 132.4 Ų | 132.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 126.7 | 165.6 | -70.1 | -178.7 | -18.4 | 0 | 0 | 109.1 | P99 S103 | P99-Q101 PolarHBondContact O-N 2.85Å; P99-Q101 VanDerWaalsContact O-N 3.15Å; Q101-S103 PolarHBondContact O-N 3.32Å |
| 102 | T | 53.8 | Low | 53.7 | Low | 136 Ų | 136 | 129.7 Ų | 129.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71 | 121.6 | 166.8 | 46.1 | 0 | 0 | 0 | 0 | 109 | | |
| 103 | S | 47 | Very low | 53.2 | Low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 125.6 | -176.3 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | Q101 G105 | Q101-S103 PolarHBondContact O-N 3.32Å; S103-G105 PolarHBondContact O-N 3.48Å |
| 104 | P | 53.7 | Low | 52.1 | Low | 138 Ų | 138 | 128.3 Ų | 128.3 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | trans | -76.5 | 105.3 | 166.1 | 31.1 | -30.9 | 0 | 0 | 0 | 109.2 | | |
| 105 | G | 38.9 | Very low | 51.3 | Low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -178.4 | 69.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S103 | S103-G105 PolarHBondContact O-N 3.48Š|
| 106 | G | 41 | Very low | 50 | Low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -90.9 | 155.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 107 | K | 38.6 | Very low | 48.6 | Very low | 204 Ų | 204 | 125.4 Ų | 125.4 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | trans | -138.6 | 130.2 | 154.8 | -78.6 | -65.8 | -172.4 | 176.2 | 0 | 108.2 | | |
| 108 | A | 38.7 | Very low | 46.9 | Very low | 96 Ų | 96 | 126 Ų | 126 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | | | trans | 35.1 | 138.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 109 | E | 38.6 | Very low | 45.1 | Very low | 192 Ų | 192 | 125.9 Ų | 125.9 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | cis | -165.7 | 167.5 | -16.7 | -151.7 | -166.8 | 126.7 | 0 | 0 | 107.6 | | |
| 110 | G | 33.7 | Very low | 43.9 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | 82.1 | 127.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 111 | G | 37.8 | Very low | 43.9 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | cis | 129.3 | 134.6 | 3.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 112 | G | 34 | Very low | 43.9 | Very low | 76 Ų | 76 | 123.5 Ų | 123.5 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | 96.9 | 100.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 113 | A | 48.4 | Very low | 43.7 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | | | trans | -85.4 | 109.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 114 | T | 40.7 | Very low | 44.2 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | -131.4 | 150.8 | 165.5 | 51.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 115 | T | 49.5 | Very low | 44.2 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | | | trans | -72.6 | 176.7 | 178.5 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 116 | S | 41.9 | Very low | 45.1 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | | | trans | 89.7 | 126.8 | 167.9 | -151.8 | 0 | 0 | 0 | 0 | 118 | | |
| 117 | T | 46.7 | Very low | 46 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | trans | 35.4 | 99 | 142.9 | 57.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 118 | Q | 42.8 | Very low | 46.8 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | | -152.4 | 108.4 | 123.3 | -70.7 | -151.7 | 22.9 | 0 | 0 | 110.7 | M120 | Q118-M120 PolarHBondContact O-N 2.91Š|
| 119 | V | 43.3 | Very low | 48 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | | | trans | -78.1 | 106.1 | 166.3 | 175.9 | 0 | 0 | 0 | 0 | 107.9 | V121 | V119-V121 PolarHBondContact O-N 3.14Š|
| 120 | M | 46.2 | Very low | 48.8 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 82% | 0.823 | 81% | 0.813 | S | S | * | * | | | trans | -69.6 | 89.3 | 179.7 | -64.7 | -167.1 | 86.6 | 0 | 0 | 111.3 | Q118 I122 | Q118-M120 PolarHBondContact O-N 2.91Å; M120-I122 PolarHBondContact O-N 2.87Å |
| 121 | V | 50.1 | Low | 49.7 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | -66.4 | 100.5 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | V119 K123 | V119-V121 PolarHBondContact O-N 3.14Å; V121-K123 PolarHBondContact O-N 3.02Å |
| 122 | I | 57.1 | Low | 49.9 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 72% | 0.723 | 82% | 0.817 | S | S | * | * | | | trans | -60.3 | 100.7 | 173.5 | -59.2 | 177.2 | 0 | 0 | 0 | 108.8 | M120 R124 | M120-I122 PolarHBondContact O-N 2.87Å; I122-R124 PolarHBondContact O-N 2.96Å |
| 123 | K | 48.5 | Very low | 50.5 | Low | 197 Ų | 197 | 152 Ų | 152 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | | | trans | -61.2 | 99.2 | 176.8 | -76.3 | 178 | 177.2 | 171 | 0 | 109.7 | V121 P125 | V121-K123 PolarHBondContact O-N 3.02Å; K123-P125 WeakPolarHBondContact O-CD 3.38Å |
| 124 | R | 58.6 | Low | 50.3 | Low | 208 Ų | 208 | 153.8 Ų | 153.8 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -72.6 | 120.4 | 164.9 | -66.9 | -178.5 | -178.6 | 82.5 | -5.4 | 108.3 | I122 | I122-R124 PolarHBondContact O-N 2.96Š|
| 125 | P | 54.2 | Low | 50.7 | Low | 130 Ų | 130 | 152.3 Ų | 152.3 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -64.2 | 147 | 172.8 | 27.9 | -33.7 | 0 | 0 | 0 | 110 | K123 | K123-P125 WeakPolarHBondContact O-CD 3.38Š|
| 126 | G | 57 | Low | 50.1 | Low | 84 Ų | 84 | 154.3 Ų | 154.3 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 92.1 | 23.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 127 | R | 60.6 | Low | 50 | Low | 215 Ų | 215 | 154.4 Ų | 154.4 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | trans | -152.5 | 114 | 154.6 | -157.6 | 170.2 | 179.7 | -154.3 | -3.8 | 114.1 | R129 | R127-R129 PolarHBondContact O-N 3.46Å; R127-R129 VanDerWaalsContact O-N 3.07Å |
| 128 | K | 54.5 | Low | 50.4 | Low | 212 Ų | 212 | 156.5 Ų | 156.5 | 92% | 0.922 | 82% | 0.818 | S | S | * | * | | | trans | -64.6 | 104.3 | 167.6 | -68.2 | -94.4 | -171.8 | 173.3 | 0 | 108.9 | | |
| 129 | R | 64.8 | Low | 50.8 | Low | 210 Ų | 210 | 153 Ų | 153 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 139.4 | 161.5 | -72 | 179.4 | 172.5 | 158.4 | -4.3 | 108.1 | R127 | R127-R129 PolarHBondContact O-N 3.46Å; R127-R129 VanDerWaalsContact O-N 3.07Å |
| 130 | K | 53.8 | Low | 51.3 | Low | 205 Ų | 205 | 156.6 Ų | 156.6 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 148 | 161.8 | -73 | -76.3 | -173.3 | 168.2 | 0 | 107.7 | | |
| 131 | A | 53 | Low | 51.6 | Low | 94 Ų | 94 | 158.8 Ų | 158.8 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 147 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 132 | E | 42.9 | Very low | 52 | Low | 195 Ų | 195 | 165 Ų | 165 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 138.1 | 160.1 | 179.7 | 169.2 | -124.7 | 0 | 0 | 108.7 | | |
| 133 | A | 47 | Very low | 51.7 | Low | 100 Ų | 100 | 162.2 Ų | 162.2 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | | | trans | -152.7 | 79 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 134 | D | 44.3 | Very low | 52.4 | Low | 144 Ų | 144 | 164.3 Ų | 164.3 | 77% | 0.77 | 84% | 0.839 | S | S | * | * | | | trans | -149.5 | 135.9 | 159.2 | -160.5 | 42 | 0 | 0 | 0 | 104.1 | | |
| 135 | P | 47.7 | Very low | 51.8 | Low | 106 Ų | 106 | 164.3 Ų | 164.3 | 69% | 0.688 | 85% | 0.845 | S | S | * | * | | | cis | -128.3 | 154.3 | 48.7 | 35.7 | -19.4 | 0 | 0 | 0 | 116.4 | | |
| 136 | Q | 38.3 | Very low | 51.6 | Low | 177 Ų | 177 | 163.8 Ų | 163.8 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | | | | 152.8 | 160.4 | 119.2 | -80.9 | -170.1 | 9.7 | 0 | 0 | 115.3 | | |
| 137 | A | 38.7 | Very low | 50.8 | Low | 100 Ų | 100 | 163.4 Ų | 163.4 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | | | trans | 78 | 67.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 138 | I | 54.2 | Low | 49.9 | Very low | 164 Ų | 164 | 158.7 Ų | 158.7 | 84% | 0.841 | 84% | 0.837 | S | S | * | * | | | trans | -78.6 | 149.9 | 141.2 | -67 | 171.6 | 0 | 0 | 0 | 107.9 | | |
| 139 | P | 52 | Low | 49.1 | Very low | 107 Ų | 107 | 154.3 Ų | 154.3 | 70% | 0.695 | 83% | 0.828 | S | S | * | * | | | cis | -123.2 | 163.6 | -0.8 | 37 | -22.8 | 0 | 0 | 0 | 115.1 | | |
| 140 | K | 54 | Low | 47.7 | Very low | 213 Ų | 213 | 150.8 Ų | 150.8 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | | | trans | -135.8 | 84.7 | 158.8 | -74.3 | -172.6 | 179.1 | 174.4 | 0 | 113.1 | R142 | K140-R142 PolarHBondContact O-N 2.86Š|
| 141 | K | 52.7 | Low | 46.7 | Very low | 212 Ų | 212 | 144.9 Ų | 144.9 | 92% | 0.922 | 82% | 0.819 | S | S | * | * | | | trans | -83.1 | 94.9 | 160.7 | -82.2 | -170 | 178 | 179.3 | 0 | 110.1 | | |
| 142 | R | 58.8 | Low | 45.9 | Very low | 252 Ų | 252 | 145 Ų | 145 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | | | trans | -144.2 | 114.3 | 160.1 | -100.5 | -172.5 | 174.6 | -131.4 | 0.5 | 108.5 | K140 | K140-R142 PolarHBondContact O-N 2.86Š|
| 143 | G | 51.2 | Low | 45.5 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | 155.6 | 37.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 144 | R | 62.1 | Low | 44.9 | Very low | 242 Ų | 242 | 140 Ų | 140 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | | | trans | -75 | 129.3 | 164.7 | -99 | -173.6 | 170.7 | -172.5 | -2.1 | 108.6 | | |
| 145 | K | 45.9 | Very low | 44.5 | Very low | 207 Ų | 207 | 137.9 Ų | 137.9 | 90% | 0.9 | 82% | 0.815 | S | S | * | * | | | trans | -127 | 132.3 | 135.5 | -84.2 | -157.3 | 172.1 | -171.1 | 0 | 109 | | |
| 146 | P | 51.2 | Low | 43.7 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | | | trans | -101 | 173.4 | 175.2 | 39.5 | -34.3 | 0 | 0 | 0 | 112.3 | | |
| 147 | G | 39.6 | Very low | 43.6 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | 87.2 | 146.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 148 | S | 40.8 | Very low | 43.7 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | cis | -134 | 146.5 | 6.5 | -139.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 149 | V | 38.4 | Very low | 43.1 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | cis | 64.7 | 106 | 31.9 | -159.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 150 | V | 34.2 | Very low | 42.9 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | | | | -156.5 | 157.8 | 75.3 | 158.5 | 0 | 0 | 0 | 0 | 107 | | |
| 151 | A | 32.9 | Very low | 42 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | | | cis | -119 | -157.8 | 13.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 152 | A | 36.1 | Very low | 41.2 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | cis | 69.7 | 154.1 | 24.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 153 | A | 34.9 | Very low | 40.5 | Very low | 97 Ų | 97 | 133 Ų | 133 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | cis | -156.3 | 164.3 | -0.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 154 | A | 34.3 | Very low | 40.1 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | cis | -172.1 | 173 | -26.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 155 | A | 36.4 | Very low | 39.5 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | 71 | 156.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 156 | E | 31.7 | Very low | 39.9 | Very low | 165 Ų | 165 | 127.5 Ų | 127.5 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | cis | -150.9 | -174.1 | -12.8 | -137.9 | -132.3 | 100 | 0 | 0 | 112.6 | | |
| 157 | A | 35.7 | Very low | 39.9 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 55% | 0.554 | 79% | 0.785 | S | S | * | * | | | trans | -79.4 | 164.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 158 | K | 40.8 | Very low | 39.9 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | | 175.6 | 119.1 | 111.3 | -90.8 | 149.8 | -165.5 | 161.4 | 0 | 116.9 | | |
| 159 | K | 42.4 | Very low | 40.2 | Very low | 194 Ų | 194 | 135.7 Ų | 135.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | 54 | 152.2 | 133.4 | -61.9 | -170.3 | 176.2 | -175.4 | 0 | 123.5 | | |
| 160 | K | 45.9 | Very low | 40.3 | Very low | 201 Ų | 201 | 135.8 Ų | 135.8 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | 77.5 | 120.5 | 169.7 | -52.4 | -165.7 | -179.7 | -173.5 | 0 | 114.6 | | |
| 161 | A | 36.4 | Very low | 40.7 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | cis | 82.4 | 130.3 | 21.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 162 | V | 35.9 | Very low | 41.8 | Very low | 138 Ų | 138 | 141.1 Ų | 141.1 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | 62.7 | 97.8 | 170.5 | -168.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 163 | K | 44.3 | Very low | 42.5 | Very low | 196 Ų | 196 | 142.1 Ų | 142.1 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | | -162.1 | 110.5 | 112.1 | -118.8 | 171 | -177 | 173.5 | 0 | 112.4 | | |
| 164 | E | 42.5 | Very low | 43.9 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | | | trans | -72.2 | 123.2 | 152.3 | -65.1 | -177.1 | 139 | 0 | 0 | 107.6 | | |
| 165 | S | 49.5 | Very low | 45.3 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | trans | -104.8 | 93.2 | 170.9 | 58.7 | 0 | 0 | 0 | 0 | 109 | I167 | S165-I167 PolarHBondContact O-N 3.04Š|
| 166 | S | 52.9 | Low | 46.4 | Very low | 121 Ų | 121 | 146 Ų | 146 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -58.5 | 106.1 | 169.2 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 167 | I | 52 | Low | 48 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -90 | 122.6 | 173.4 | -64.7 | 175.9 | 0 | 0 | 0 | 107.3 | S165 S169 | S165-I167 PolarHBondContact O-N 3.04Å; I167-S169 PolarHBondContact O-N 2.76Å |
| 168 | R | 40.3 | Very low | 49.3 | Very low | 224 Ų | 224 | 151.2 Ų | 151.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -60.4 | 131.9 | -172.9 | -65 | 176.8 | 178 | 165.9 | -2.2 | 111.4 | V170 | R168-V170 PolarHBondContact O-N 3.14Š|
| 169 | S | 46.2 | Very low | 50.5 | Low | 105 Ų | 105 | 152.9 Ų | 152.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -70.2 | 91.6 | 167.6 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | I167 Q171 | I167-S169 PolarHBondContact O-N 2.76Å; S169-Q171 PolarHBondContact O-N 3.43Å |
| 170 | V | 40.8 | Very low | 51.5 | Low | 123 Ų | 123 | 155 Ų | 155 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | | | trans | -70.4 | 107.3 | 167.4 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | R168 E172 | R168-V170 PolarHBondContact O-N 3.14Å; V170-E172 HydrophobicContact CG1-CG 4.42Å; V170-E172 PolarHBondContact O-N 2.88Å |
| 171 | Q | 43.5 | Very low | 52 | Low | 159 Ų | 159 | 154.7 Ų | 154.7 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | -80.3 | 98.6 | 175.5 | -65.4 | -165.9 | 15.7 | 0 | 0 | 109.7 | S169 T173 | S169-Q171 PolarHBondContact O-N 3.43Å; Q171-T173 VanDerWaalsContact C-N 3.3Å; Q171-T173 HydrophobicContact CB-CG2 4.38Å; Q171-T173 PolarHBondContact O-N 3.23Å |
| 172 | E | 54.3 | Low | 52.9 | Low | 169 Ų | 169 | 157 Ų | 157 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -73.6 | 81.8 | 171.7 | -67.5 | -165.6 | 138.5 | 0 | 0 | 110.8 | V170 V174 | V170-E172 HydrophobicContact CG1-CG 4.42Å; V170-E172 PolarHBondContact O-N 2.88Å; E172-V174 HydrophobicContact CB-CG2 4.43Å; E172-V174 PolarHBondContact O-N 3.09Å |
| 173 | T | 50.8 | Low | 53.6 | Low | 119 Ų | 119 | 161.7 Ų | 161.7 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | | | trans | -75.7 | 65 | 176.3 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | Q171 L175 | Q171-T173 VanDerWaalsContact C-N 3.3Å; Q171-T173 HydrophobicContact CB-CG2 4.38Å; Q171-T173 PolarHBondContact O-N 3.23Å; T173-L175 PolarHBondContact O-N 3.15Å |
| 174 | V | 65.3 | Low | 53.7 | Low | 105 Ų | 105 | 161.2 Ų | 161.2 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | | | trans | -74.7 | 116.7 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | E172 I177 | E172-V174 HydrophobicContact CB-CG2 4.43Å; E172-V174 PolarHBondContact O-N 3.09Å; V174-I177 HydrophobicContact CG1-CD1 4.19Å; V174-I177 HydrophobicContact CG1-CG1 4.23Å |
| 175 | L | 64.3 | Low | 53.9 | Low | 149 Ų | 149 | 158.1 Ų | 158.1 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | -60.4 | 149.9 | -178.2 | -67.6 | 172.9 | 0 | 0 | 0 | 112.5 | T173 I177 | T173-L175 PolarHBondContact O-N 3.15Å; L175-I177 PolarHBondContact O-N 2.87Å; L175-I177 VanDerWaalsContact O-N 3.11Å |
| 176 | P | 58.2 | Low | 53.8 | Low | 117 Ų | 117 | 160 Ų | 160 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | trans | -53.4 | 115.1 | -168.8 | -30.2 | 36.5 | 0 | 0 | 0 | 115.1 | K178 | P176-K178 PolarHBondContact O-N 3.4Š|
| 177 | I | 66.4 | Low | 53.3 | Low | 147 Ų | 147 | 158.9 Ų | 158.9 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | trans | -75.7 | 64.7 | -174.5 | -44.5 | 175.8 | 0 | 0 | 0 | 111 | V174 L175 | V174-I177 HydrophobicContact CG1-CD1 4.19Å; V174-I177 HydrophobicContact CG1-CG1 4.23Å; L175-I177 PolarHBondContact O-N 2.87Å; L175-I177 VanDerWaalsContact O-N 3.11Å |
| 178 | K | 62.7 | Low | 53.1 | Low | 195 Ų | 195 | 158.8 Ų | 158.8 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -124.9 | -0.5 | -172.1 | -133.5 | 167.1 | -173.3 | 172.5 | 0 | 115.4 | P176 | P176-K178 PolarHBondContact O-N 3.4Š|
| 179 | K | 66.4 | Low | 53.2 | Low | 209 Ų | 209 | 156.9 Ų | 156.9 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -137.5 | 9.7 | 179.3 | -72.9 | -164.9 | 176.1 | -176.1 | 0 | 116.6 | | |
| 180 | R | 62 | Low | 53.1 | Low | 239 Ų | 239 | 158 Ų | 158 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -93.7 | 98 | 170.5 | -70.7 | -171.5 | -178.1 | 176.1 | 1.3 | 111.2 | | |
| 181 | K | 56.5 | Low | 53.2 | Low | 194 Ų | 194 | 161.6 Ų | 161.6 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -87.7 | 163.5 | 148.4 | -75.3 | -174.5 | 176.5 | -179.5 | 0 | 108.1 | | |
| 182 | T | 57 | Low | 53.3 | Low | 142 Ų | 142 | 163.4 Ų | 163.4 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 64.1 | 140.6 | 179.6 | 49.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 183 | R | 49.4 | Very low | 52.6 | Low | 236 Ų | 236 | 161 Ų | 161 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | | | trans | -17.5 | 139.8 | 171 | -70.2 | 172 | 165.5 | 168.7 | -7.4 | 117.3 | | |
| 184 | E | 46.6 | Very low | 51.8 | Low | 186 Ų | 186 | 161 Ų | 161 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | | -159.6 | 157.9 | 93.8 | -111.8 | 168.7 | -162.5 | 0 | 0 | 112.9 | | |
| 185 | T | 47.4 | Very low | 50.2 | Low | 131 Ų | 131 | 165.4 Ų | 165.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -93 | 104.2 | 179.9 | 43.7 | 0 | 0 | 0 | 0 | 109.9 | S187 | T185-S187 PolarHBondContact O-N 3.21Š|
| 186 | V | 47.3 | Very low | 49.4 | Very low | 135 Ų | 135 | 164.3 Ų | 164.3 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -74.5 | 96.5 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | I188 | V186-I188 PolarHBondContact O-N 3.38Š|
| 187 | S | 41.6 | Very low | 48.4 | Very low | 99 Ų | 99 | 166.2 Ų | 166.2 | 69% | 0.692 | 83% | 0.826 | S | S | * | * | | | trans | -69.6 | 115.6 | 172.7 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | T185 E189 | T185-S187 PolarHBondContact O-N 3.21Å; S187-E189 PolarHBondContact O-N 3.1Å |
| 188 | I | 47.8 | Very low | 47 | Very low | 151 Ų | 151 | 166.7 Ų | 166.7 | 77% | 0.774 | 83% | 0.829 | S | S | * | * | | | trans | -91.2 | 95.4 | 169.5 | -58.5 | 178 | 0 | 0 | 0 | 107.4 | V186 V190 | V186-I188 PolarHBondContact O-N 3.38Å; I188-V190 HydrophobicContact CG2-CG2 4.29Å; I188-V190 PolarHBondContact O-N 3.07Å |
| 189 | E | 43.5 | Very low | 45.9 | Very low | 185 Ų | 185 | 163.7 Ų | 163.7 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | | | trans | -71.4 | 116.5 | 170.5 | -66.5 | -173.4 | 130.4 | 0 | 0 | 110 | S187 | S187-E189 PolarHBondContact O-N 3.1Š|
| 190 | V | 43.5 | Very low | 44.5 | Very low | 127 Ų | 127 | 159.4 Ų | 159.4 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | | | trans | -111.3 | 122.6 | 160.3 | -178.1 | 0 | 0 | 0 | 0 | 107.1 | I188 E192 | I188-V190 HydrophobicContact CG2-CG2 4.29Å; I188-V190 PolarHBondContact O-N 3.07Å; V190-E192 PolarHBondContact O-N 3.29Å |
| 191 | K | 43.1 | Very low | 43.2 | Very low | 200 Ų | 200 | 154.1 Ų | 154.1 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | | | trans | -59.1 | 124.8 | -169.4 | -61.3 | 167.1 | -179.8 | 175.2 | 0 | 112.2 | | |
| 192 | E | 44.7 | Very low | 42.2 | Very low | 196 Ų | 196 | 153.5 Ų | 153.5 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | | | trans | -123.1 | 152.7 | 157.5 | -168.3 | 163.1 | -143.8 | 0 | 0 | 109.6 | V190 | V190-E192 PolarHBondContact O-N 3.29Š|
| 193 | V | 39.3 | Very low | 41.1 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | | | trans | -118.9 | 112.3 | -151.1 | 175.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 194 | V | 34.3 | Very low | 40.3 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | 61.2 | 90.2 | 149.4 | -179.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 195 | K | 31.9 | Very low | 40.1 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | | | | 175.5 | 115.4 | 117.7 | -97.4 | 160.9 | -175.4 | 177.2 | 0 | 113.1 | | |
| 196 | P | 47.3 | Very low | 39.5 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -94.6 | 142 | 165.1 | 35.2 | -29.9 | 0 | 0 | 0 | 111.3 | | |
| 197 | L | 37.8 | Very low | 39.1 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -147.2 | 101.9 | 171.2 | -147.8 | 142.6 | 0 | 0 | 0 | 113.5 | | |
| 198 | L | 37.5 | Very low | 38.9 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | | | trans | 63.4 | 114.4 | 157.2 | -55.1 | -178.1 | 0 | 0 | 0 | 120.9 | | |
| 199 | V | 38.9 | Very low | 38.3 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | | | trans | -46.5 | 141.7 | 152.5 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | T201 | V199-T201 HydrophobicContact CG1-CG2 4.18Š|
| 200 | S | 37.8 | Very low | 38.5 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -141.9 | 133.8 | 143.8 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 201 | T | 34.2 | Very low | 38.5 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -105 | 128.9 | -179.6 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | V199 | V199-T201 HydrophobicContact CG1-CG2 4.18Š|
| 202 | L | 34.3 | Very low | 38.5 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | | | trans | -144.6 | 142.7 | 161.5 | -165.9 | 67.9 | 0 | 0 | 0 | 108.7 | | |
| 203 | G | 33.9 | Very low | 38.1 | Very low | 60 Ų | 60 | 138.1 Ų | 138.1 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | | | trans | -147.2 | 165.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 204 | E | 33.2 | Very low | 38.3 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | -173 | 118.7 | 147.1 | -85.5 | -129.9 | 66.6 | 0 | 0 | 111.5 | | |
| 205 | K | 41.6 | Very low | 38.6 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | 46.4 | 140.1 | 135.9 | -54.9 | -177 | -168.5 | 137.3 | 0 | 122.9 | | |
| 206 | S | 35.3 | Very low | 39.3 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | 94.2 | 118.6 | 143 | -154.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 207 | G | 39.3 | Very low | 39 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | -178 | 69.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 208 | K | 37.9 | Very low | 39.6 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -64.7 | 128.7 | -163.5 | -57.7 | 167.7 | -177.3 | 172.7 | 0 | 115.7 | | |
| 209 | G | 36 | Very low | 40.2 | Very low | 69 Ų | 69 | 142.6 Ų | 142.6 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | trans | 82.2 | 161.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 210 | L | 46.7 | Very low | 40.7 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | cis | -130.5 | -179.5 | 14.9 | -80 | 170.3 | 0 | 0 | 0 | 113.2 | | |
| 211 | K | 44.4 | Very low | 41.1 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | | | trans | -124.1 | 153.3 | -160.8 | 53.6 | -165.1 | 166.9 | -177.1 | 0 | 112.3 | | |
| 212 | T | 41.6 | Very low | 41.5 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | | | trans | 70.7 | 158.9 | 178 | 82.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 213 | C | 37.6 | Very low | 41.9 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | cis | -141.9 | 172.2 | 17.1 | -140.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 214 | K | 42.5 | Very low | 42.6 | Very low | 198 Ų | 198 | 146.4 Ų | 146.4 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | | | trans | -74.3 | 160.3 | 179.1 | -71.4 | 171.1 | 176.4 | 172.2 | 0 | 112.2 | | |
| 215 | S | 40.8 | Very low | 43.5 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -58.1 | 159.6 | 176.8 | -33.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 216 | P | 47.1 | Very low | 43.5 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | | | | -132.4 | 138.8 | 115.6 | 36.1 | -28.9 | 0 | 0 | 0 | 113.4 | | |
| 217 | G | 41.5 | Very low | 43.8 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | | | trans | -72.2 | 130 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 218 | R | 50.3 | Low | 44 | Very low | 245 Ų | 245 | 152.9 Ų | 152.9 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | | | trans | -92.6 | 105.5 | 174.1 | -80.2 | -175.3 | 146.6 | -146.4 | -6.5 | 111.4 | S220 | R218-S220 PolarHBondContact O-N 3.24Å; R218-S220 VanDerWaalsContact O-N 3.15Å |
| 219 | K | 50.1 | Low | 44.2 | Very low | 214 Ų | 214 | 149.6 Ų | 149.6 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | | | trans | -75.8 | 91 | 169.9 | -55 | -177.7 | -174.4 | -177 | 0 | 109.4 | | |
| 220 | S | 49.6 | Very low | 44.6 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 122.3 | 170.8 | 52 | 0 | 0 | 0 | 0 | 110.1 | R218 | R218-S220 PolarHBondContact O-N 3.24Å; R218-S220 VanDerWaalsContact O-N 3.15Å |
| 221 | K | 46.2 | Very low | 44.3 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 135.1 | -168.1 | -166.1 | 174.3 | -177.9 | 177.6 | 0 | 112.3 | S223 | K221-S223 PolarHBondContact O-N 3.46Š|
| 222 | E | 42.7 | Very low | 44 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 130 | 169.1 | -175.3 | -177.1 | 166.3 | 0 | 0 | 111.3 | | |
| 223 | S | 42.7 | Very low | 43.9 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | | | trans | -155.1 | 114.2 | 170.9 | 43.4 | 0 | 0 | 0 | 0 | 110.3 | K221 | K221-S223 PolarHBondContact O-N 3.46Š|
| 224 | S | 48.1 | Very low | 44.3 | Very low | 99 Ų | 99 | 143.8 Ų | 143.8 | 69% | 0.692 | 83% | 0.833 | S | S | * | * | | | trans | -75.2 | 138.2 | -175.1 | -28.2 | 0 | 0 | 0 | 0 | 111.4 | K226 | S224-K226 PolarHBondContact O-N 3.27Š|
| 225 | P | 51.3 | Low | 44.7 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | | | trans | -74.7 | 90 | 173.2 | 30.7 | -33.9 | 0 | 0 | 0 | 110.7 | G227 | P225-G227 PolarHBondContact O-N 3.07Š|
| 226 | K | 40.9 | Very low | 45 | Very low | 208 Ų | 208 | 140.2 Ų | 140.2 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | | | trans | -65.8 | 121.5 | 164.6 | -112.2 | 178 | 179.7 | 174.8 | 0 | 108.6 | S224 | S224-K226 PolarHBondContact O-N 3.27Š|
| 227 | G | 42.6 | Very low | 44.8 | Very low | 80 Ų | 80 | 144.1 Ų | 144.1 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | | | trans | -66.6 | 152.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P225 | P225-G227 PolarHBondContact O-N 3.07Š|
| 228 | R | 44.1 | Very low | 45 | Very low | 241 Ų | 241 | 150 Ų | 150 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | | | trans | -147.1 | 85.2 | 170.2 | -165.6 | 173.6 | -177.2 | -174.2 | -0.7 | 110.6 | S230 | R228-S230 PolarHBondContact O-N 3.23Š|
| 229 | S | 40.6 | Very low | 44.4 | Very low | 130 Ų | 130 | 146 Ų | 146 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | | | trans | -73.8 | 104.3 | 173.3 | 35.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 230 | S | 44.7 | Very low | 44.2 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | trans | -96.5 | 121.2 | 167.8 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | R228 | R228-S230 PolarHBondContact O-N 3.23Š|
| 231 | S | 40.2 | Very low | 44.1 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | -63.4 | 136 | -179.5 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 232 | A | 38.9 | Very low | 44.4 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -127.3 | 104.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 233 | S | 40.2 | Very low | 44.8 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -93.4 | 111.1 | 179.2 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 234 | S | 44.9 | Very low | 45.2 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 142.1 | 172.3 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 235 | P | 52.3 | Low | 45.3 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 147.8 | 171.4 | 31.7 | -34.4 | 0 | 0 | 0 | 111.1 | | |
| 236 | P | 46.3 | Very low | 45.1 | Very low | 127 Ų | 127 | 150 Ų | 150 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 138.7 | 170.4 | 30.1 | -33.5 | 0 | 0 | 0 | 110.4 | | |
| 237 | K | 43.2 | Very low | 45.6 | Very low | 204 Ų | 204 | 149.1 Ų | 149.1 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 144 | 165.7 | -69.1 | -175.5 | 176.2 | -176.1 | 0 | 108.9 | E239 | K237-E239 PolarHBondContact O-N 2.98Š|
| 238 | K | 44.9 | Very low | 45.7 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67 | 130.2 | 165.3 | -76 | -174.4 | 173.9 | -175.7 | 0 | 109.1 | | |
| 239 | E | 37.9 | Very low | 45.8 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 76% | 0.757 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 131.3 | 167.9 | -170.4 | 160.4 | -142.3 | 0 | 0 | 108.2 | K237 | K237-E239 PolarHBondContact O-N 2.98Š|
| 240 | H | 45.2 | Very low | 46.1 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | -93.2 | 103.2 | 177.9 | -85.5 | -103.6 | 0 | 0 | 0 | 109.2 | H242 | H240-H242 PolarHBondContact O-N 3.34Š|
| 241 | H | 47.8 | Very low | 46.2 | Very low | 150 Ų | 150 | 151.2 Ų | 151.2 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | | | trans | -70.1 | 110 | 170.4 | -65.2 | -59.5 | 0 | 0 | 0 | 110 | | |
| 242 | H | 53.4 | Low | 46.5 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | | | trans | -84.9 | 106.1 | 162.9 | -73.7 | -87.6 | 0 | 0 | 0 | 108.6 | H240 H244 | H240-H242 PolarHBondContact O-N 3.34Å; H242-H244 PolarHBondContact O-N 3.26Å |
| 243 | H | 49.7 | Very low | 47.1 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | | | trans | -72.8 | 119.6 | 167.1 | -77.6 | -90.1 | 0 | 0 | 0 | 109.3 | | |
| 244 | H | 51.9 | Low | 47.6 | Very low | 161 Ų | 161 | 159.4 Ų | 159.4 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | | | trans | -86.6 | 108.9 | 165.6 | -130.9 | 55.8 | 0 | 0 | 0 | 107.7 | H242 H246 | H242-H244 PolarHBondContact O-N 3.26Å; H244-H246 AromaticContact CD2-CE1 3.89Å; H244-H246 AromaticContact CD2-NE2 3.8Å |
| 245 | H | 51.3 | Low | 47.8 | Very low | 167 Ų | 167 | 163.1 Ų | 163.1 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | -87.4 | 122.9 | 166.5 | -95 | -85.1 | 0 | 0 | 0 | 108.7 | | |
| 246 | H | 46.7 | Very low | 47.4 | Very low | 162 Ų | 162 | 167.2 Ų | 167.2 | 75% | 0.75 | 82% | 0.822 | S | S | * | * | | | trans | -93.5 | 129.3 | 161.7 | -71.3 | -70.5 | 0 | 0 | 0 | 108.8 | H244 | H244-H246 AromaticContact CD2-CE1 3.89Å; H244-H246 AromaticContact CD2-NE2 3.8Å |
| 247 | S | 50.4 | Low | 47.5 | Very low | 188 Ų | 188 | 170.8 Ų | 170.8 | 100% | 1.315 | 82% | 0.822 | S | S | * | * | | | trans | -153.3 | 0 | 165.9 | -65 | 0 | 0 | 0 | 0 | 107 | | |