| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.9 | Low | 60.8 | Low | 229 Ų | 229 | 128.5 Ų | 128.5 | 100% | 1.128 | 67% | 0.666 | S | S | * | * | 0 | 125.6 | 0 | -65.5 | 168.8 | 88.6 | 0 | 0 | 108.1 | R3 | M1-R3 PolarHBondContact O-N 3.4Š| |||
| 2 | P | 64.4 | Low | 63 | Low | 131 Ų | 131 | 125.7 Ų | 125.7 | 85% | 0.851 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 132.8 | 175.2 | -14.4 | 28.3 | 0 | 0 | 0 | 109.2 | ||
| 3 | R | 56.4 | Low | 65.1 | Low | 226 Ų | 226 | 125.8 Ų | 125.8 | 85% | 0.853 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -68 | 130.4 | 173.8 | -72.1 | -173.9 | -177.7 | -174.8 | 1.7 | 108.4 | M1 G5 | M1-R3 PolarHBondContact O-N 3.4Å; R3-G5 PolarHBondContact O-N 3.5Å |
| 4 | P | 61.3 | Low | 67 | Low | 67 Ų | 67 | 117.9 Ų | 117.9 | 44% | 0.435 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 137.8 | 174 | -25.2 | 33.3 | 0 | 0 | 0 | 111 | Y9 | P4-Y9 HydrophobicContact CB-CE2 4.04Å; P4-Y9 HydrophobicContact CG-CE2 4.48Å |
| 5 | G | 57.3 | Low | 68.5 | Low | 56 Ų | 56 | 116.7 Ų | 116.7 | 58% | 0.577 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 148 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R3 N7 S8 | R3-G5 PolarHBondContact O-N 3.5Å; G5-N7 PolarHBondContact O-N 2.82Å; G5-S8 PolarHBondContact O-N 3.13Å |
| 6 | K | 56.8 | Low | 70 | Confident | 197 Ų | 197 | 113.9 Ų | 113.9 | 86% | 0.857 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -18.9 | -172.7 | -69.3 | 173.9 | 177 | 177.6 | 0 | 114.9 | ||
| 7 | N | 54.6 | Low | 71.5 | Confident | 131 Ų | 131 | 110.2 Ų | 110.2 | 70% | 0.701 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -18.3 | 179.5 | -58.6 | -7.4 | 0 | 0 | 0 | 114 | G5 S10 | G5-N7 PolarHBondContact O-N 2.82Å; N7-S10 PolarHBondContact O-OG 2.64Å |
| 8 | S | 59.1 | Low | 72.8 | Confident | 54 Ų | 54 | 107 Ų | 107 | 38% | 0.378 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -28.5 | 179.9 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | G5 S10 E11 Q12 | G5-S8 PolarHBondContact O-N 3.13Å; S8-S10 PolarHBondContact O-N 3.16Å; S8-E11 PolarHBondContact O-N 3.42Å; S8-Q12 WeakPolarHBondContact O-CG 3.39Å |
| 9 | Y | 59.3 | Low | 74 | Confident | 129 Ų | 129 | 102.7 Ų | 102.7 | 51% | 0.506 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -72.8 | -26.3 | -178.3 | -73.6 | -80.6 | 0 | 0 | 0 | 113.4 | P4 E11 Q12 | P4-Y9 HydrophobicContact CB-CE2 4.04Å; P4-Y9 HydrophobicContact CG-CE2 4.48Å; Y9-E11 VanDerWaalsContact C-N 3.29Å; Y9-E11 PolarHBondContact O-N 3.07Å; Y9-Q12 PolarHBondContact O-N 3.22Å |
| 10 | S | 66.8 | Low | 75 | Confident | 59 Ų | 59 | 97.9 Ų | 97.9 | 41% | 0.413 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -72.8 | -21.5 | 177.1 | 43.6 | 0 | 0 | 0 | 0 | 113.8 | N7 S8 | N7-S10 PolarHBondContact O-OG 2.64Å; S8-S10 PolarHBondContact O-N 3.16Å |
| 11 | E | 78.8 | Confident | 76 | Confident | 134 Ų | 134 | 93.2 Ų | 93.2 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -94.4 | -4.4 | 176.9 | -68.7 | 173.4 | -171.3 | 0 | 0 | 112.3 | S8 Y9 Y49 | S8-E11 PolarHBondContact O-N 3.42Å; Y9-E11 VanDerWaalsContact C-N 3.29Å; Y9-E11 PolarHBondContact O-N 3.07Å; E11-Y49 WeakPolarHBondContact O-CD2 3.38Å |
| 12 | Q | 87.1 | Confident | 78 | Confident | 95 Ų | 95 | 82.3 Ų | 82.3 | 44% | 0.444 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -76.8 | 142.6 | 175.5 | -72.7 | 178.7 | 20.9 | 0 | 0 | 110.7 | S8 Y9 P14 | S8-Q12 WeakPolarHBondContact O-CG 3.39Å; Y9-Q12 PolarHBondContact O-N 3.22Å; Q12-P14 VanDerWaalsContact O-CD 3.26Å; Q12-P14 WeakPolarHBondContact O-CD 3.28Å; Q12-P14 VanDerWaalsContact O-N 3.14Å |
| 13 | K | 90.4 | Very high | 79.5 | Confident | 127 Ų | 127 | 76.1 Ų | 76.1 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 119.1 | 176.1 | -177.3 | 174.3 | 176.5 | -175 | 0 | 109.9 | Y49 | K13-Y49 HydrophobicContact CB-CD1 4.07Å; K13-Y49 HydrophobicContact CB-CD2 4.36Å; K13-Y49 HydrophobicContact CB-CE1 3.67Å; K13-Y49 HydrophobicContact CB-CE2 3.97Å; K13-Y49 HydrophobicContact CB-CG 4.39Å; K13-Y49 HydrophobicContact CD-CE1 4.03Å; K13-Y49 HydrophobicContact CG-CD1 4.08Å; K13-Y49 HydrophobicContact CG-CE1 3.54Å |
| 14 | P | 91.5 | Very high | 81.3 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 10% | 0.104 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 148.2 | 179.5 | -23.7 | 33.3 | 0 | 0 | 0 | 111.8 | Q12 Y16 F47 Y50 | Q12-P14 VanDerWaalsContact O-CD 3.26Å; Q12-P14 WeakPolarHBondContact O-CD 3.28Å; Q12-P14 VanDerWaalsContact O-N 3.14Å; P14-Y16 HydrophobicContact CB-CD2 3.66Å; P14-Y16 HydrophobicContact CB-CE2 4.3Å; P14-Y16 PolarHBondContact O-N 3.14Å; P14-F47 HydrophobicContact CB-CD1 3.9Å; P14-F47 HydrophobicContact CB-CE1 4.07Å; P14-F47 HydrophobicContact CB-CG 4.46Å; P14-F47 HydrophobicContact CG-CB 3.85Å; P14-F47 HydrophobicContact CG-CD1 3.4Å; P14-F47 HydrophobicContact CG-CE1 4.1Å; P14-F47 HydrophobicContact CG-CG 3.72Å; P14-Y50 HydrophobicContact CG-CE2 4.03Å |
| 15 | P | 90.4 | Very high | 83 | Confident | 99 Ų | 99 | 63 Ų | 63 | 64% | 0.643 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -76.5 | 37 | 179 | 34.3 | -37.4 | 0 | 0 | 0 | 112.7 | L103 | P15-L103 HydrophobicContact CB-CD2 4.37Å; P15-L103 HydrophobicContact CG-CD2 4.3Å |
| 16 | Y | 92.4 | Very high | 84.9 | Confident | 72 Ų | 72 | 60.3 Ų | 60.3 | 28% | 0.282 | 30% | 0.302 | S | S | . | . | trans | -115.3 | 136.8 | -177.8 | -60.4 | -58.5 | 0 | 0 | 0 | 110.7 | P14 L21 M24 F47 F102 L103 | P14-Y16 HydrophobicContact CB-CD2 3.66Å; P14-Y16 HydrophobicContact CB-CE2 4.3Å; P14-Y16 PolarHBondContact O-N 3.14Å; Y16-L21 HydrophobicContact CD2-CD2 4.41Å; Y16-L21 HydrophobicContact CG-CD2 4.5Å; Y16-M24 HydrophobicContact CD1-CE 4.18Å; Y16-M24 HydrophobicContact CD2-CE 3.94Å; Y16-M24 HydrophobicContact CE2-CE 4.38Å; Y16-M24 HydrophobicContact CG-CE 3.85Å; Y16-F47 AromaticContact CD2-CE1 3.9Å; Y16-F47 HydrophobicContact CD2-CE1 3.9Å; Y16-F47 HydrophobicContact CD2-CE2 4.49Å; Y16-F47 AromaticContact CD2-CZ 3.68Å; Y16-F47 HydrophobicContact CD2-CZ 3.68Å; Y16-F47 AromaticContact CE2-CE1 3.78Å; Y16-F47 HydrophobicContact CE2-CE1 3.78Å; Y16-F47 AromaticContact CE2-CZ 3.73Å; Y16-F47 HydrophobicContact CE2-CZ 3.73Å; Y16-F102 HydrophobicContact CD1-CB 3.99Å; Y16-F102 HydrophobicContact CE1-CB 3.9Å; Y16-L103 HydrophobicContact CD1-CD2 4.27Å; Y16-L103 HydrophobicContact CE1-CD2 3.9Å | ||
| 17 | S | 94.3 | Very high | 86.6 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | trans | -73.7 | 160.2 | 170.6 | 75.3 | 0 | 0 | 0 | 0 | 110.5 | I19 S20 L21 | S17-I19 PolarHBondContact O-N 3.38Å; S17-I19 PolarHBondContact OG-N 3.3Å; S17-S20 WeakPolarHBondContact O-CA 3.45Å; S17-S20 WeakPolarHBondContact O-CB 3.24Å; S17-S20 PolarHBondContact O-N 3.5Å; S17-S20 PolarHBondContact OG-N 3.25Å; S17-S20 VanDerWaalsContact OG-N 3.1Å; S17-S20 PolarHBondContact OG-OG 3.04Å; S17-L21 WeakPolarHBondContact O-CG 3.38Å; S17-L21 PolarHBondContact O-N 3.26Å | ||
| 18 | Y | 96.3 | Very high | 88.5 | Confident | 52 Ų | 52 | 52 Ų | 52 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.9 | -34 | 173.2 | -65.1 | -59 | 0 | 0 | 0 | 112.4 | L21 T22 Y50 W57 L61 | Y18-L21 HydrophobicContact CD1-CD1 4.03Å; Y18-L21 PolarHBondContact O-N 3.07Å; Y18-T22 WeakPolarHBondContact O-CB 3.29Å; Y18-T22 PolarHBondContact O-N 3.3Å; Y18-T22 PolarHBondContact O-OG1 2.88Å; Y18-T22 VanDerWaalsContact O-OG1 3.06Å; Y18-Y50 HydrophobicContact CE1-CE1 4.11Å; Y18-W57 HydrophobicContact CE1-CB 4.14Å; Y18-W57 WeakPolarHBondContact OH-CB 3.47Å; Y18-L61 HydrophobicContact CD1-CD1 4.34Å |
| 19 | I | 94.5 | Very high | 90.2 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 173.4 | -56.7 | 174.6 | 0 | 0 | 0 | 110 | S17 L21 T22 A23 N68 F71 F97 | S17-I19 PolarHBondContact O-N 3.38Å; S17-I19 PolarHBondContact OG-N 3.3Å; I19-L21 PolarHBondContact O-N 3.5Å; I19-T22 PolarHBondContact O-N 2.89Å; I19-A23 WeakPolarHBondContact O-CB 3.08Å; I19-A23 PolarHBondContact O-N 2.91Å; I19-N68 WeakPolarHBondContact CD1-OD1 3.37Å; I19-F71 HydrophobicContact CB-CE2 4.37Å; I19-F71 HydrophobicContact CB-CZ 4.38Å; I19-F71 HydrophobicContact CG1-CE2 4.36Å; I19-F71 HydrophobicContact CG2-CE2 4.06Å; I19-F71 HydrophobicContact CG2-CZ 3.88Å; I19-F97 HydrophobicContact CG2-CE1 4.34Å; I19-F97 HydrophobicContact CG2-CZ 3.8Å |
| 20 | S | 94.1 | Very high | 92 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.5 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | S17 A23 M24 F102 | S17-S20 WeakPolarHBondContact O-CA 3.45Å; S17-S20 WeakPolarHBondContact O-CB 3.24Å; S17-S20 PolarHBondContact O-N 3.5Å; S17-S20 PolarHBondContact OG-N 3.25Å; S17-S20 VanDerWaalsContact OG-N 3.1Å; S17-S20 PolarHBondContact OG-OG 3.04Å; S20-A23 PolarHBondContact O-N 2.85Å; S20-M24 WeakPolarHBondContact O-CG 3.37Å; S20-M24 PolarHBondContact O-N 3.01Å; S20-F102 VanDerWaalsContact CB-O 3.24Å; S20-F102 WeakPolarHBondContact CB-O 3.18Å; S20-F102 PolarHBondContact OG-O 3.2Å |
| 21 | L | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 178.3 | -69.2 | 172.2 | 0 | 0 | 0 | 111.7 | Y16 S17 Y18 I19 M24 A25 I43 F47 Y50 | Y16-L21 HydrophobicContact CD2-CD2 4.41Å; Y16-L21 HydrophobicContact CG-CD2 4.5Å; S17-L21 WeakPolarHBondContact O-CG 3.38Å; S17-L21 PolarHBondContact O-N 3.26Å; Y18-L21 HydrophobicContact CD1-CD1 4.03Å; Y18-L21 PolarHBondContact O-N 3.07Å; I19-L21 PolarHBondContact O-N 3.5Å; L21-M24 HydrophobicContact CD2-CE 3.8Å; L21-M24 PolarHBondContact O-N 3.04Å; L21-A25 PolarHBondContact O-N 3.41Å; L21-A25 VanDerWaalsContact O-N 3.12Å; L21-I43 HydrophobicContact CB-CD1 3.87Å; L21-I43 HydrophobicContact CB-CG1 4.19Å; L21-I43 HydrophobicContact CD1-CG2 4.47Å; L21-F47 HydrophobicContact CD2-CD2 3.63Å; L21-F47 HydrophobicContact CD2-CE2 3.36Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; L21-Y50 HydrophobicContact CD1-CE2 3.79Å |
| 22 | T | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | Y18 I19 M24 A25 I26 I39 L65 F71 | Y18-T22 WeakPolarHBondContact O-CB 3.29Å; Y18-T22 PolarHBondContact O-N 3.3Å; Y18-T22 PolarHBondContact O-OG1 2.88Å; Y18-T22 VanDerWaalsContact O-OG1 3.06Å; I19-T22 PolarHBondContact O-N 2.89Å; T22-M24 PolarHBondContact O-N 3.25Å; T22-A25 WeakPolarHBondContact O-CB 3.32Å; T22-A25 PolarHBondContact O-N 3.02Å; T22-I26 HydrophobicContact CG2-CD1 3.81Å; T22-I26 HydrophobicContact CG2-CG1 4.42Å; T22-I26 WeakPolarHBondContact O-CG1 3.4Å; T22-I26 PolarHBondContact O-N 3.48Å; T22-I39 HydrophobicContact CG2-CD1 4.21Å; T22-I39 HydrophobicContact CG2-CG2 4.46Å; T22-L65 HydrophobicContact CG2-CD2 3.68Å; T22-F71 HydrophobicContact CG2-CD1 3.8Å; T22-F71 HydrophobicContact CG2-CE1 3.28Å; T22-F71 HydrophobicContact CG2-CE2 4.27Å; T22-F71 HydrophobicContact CG2-CG 4.49Å; T22-F71 HydrophobicContact CG2-CZ 3.56Å |
| 23 | A | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I19 S20 A25 I26 Q27 L89 F97 | I19-A23 WeakPolarHBondContact O-CB 3.08Å; I19-A23 PolarHBondContact O-N 2.91Å; S20-A23 PolarHBondContact O-N 2.85Å; A23-A25 VanDerWaalsContact C-N 3.32Å; A23-A25 PolarHBondContact O-N 3.48Å; A23-I26 PolarHBondContact O-N 3.08Å; A23-Q27 WeakPolarHBondContact O-CB 3.37Å; A23-Q27 VanDerWaalsContact O-CG 3.3Å; A23-Q27 WeakPolarHBondContact O-CG 3.37Å; A23-Q27 PolarHBondContact O-N 3Å; A23-L89 HydrophobicContact CB-CD1 4.26Å; A23-L89 HydrophobicContact CB-CD2 4.05Å; A23-F97 HydrophobicContact CB-CD1 3.82Å; A23-F97 HydrophobicContact CB-CD2 4.13Å; A23-F97 HydrophobicContact CB-CE1 3.8Å; A23-F97 HydrophobicContact CB-CE2 4.13Å; A23-F97 HydrophobicContact CB-CG 3.98Å; A23-F97 HydrophobicContact CB-CZ 3.96Å |
| 24 | M | 95.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 46.6 Ų | 46.6 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 175.3 | -74.1 | -174.1 | -70.4 | 0 | 0 | 112.2 | Y16 S20 L21 T22 N28 F42 F47 F102 | Y16-M24 HydrophobicContact CD1-CE 4.18Å; Y16-M24 HydrophobicContact CD2-CE 3.94Å; Y16-M24 HydrophobicContact CE2-CE 4.38Å; Y16-M24 HydrophobicContact CG-CE 3.85Å; S20-M24 WeakPolarHBondContact O-CG 3.37Å; S20-M24 PolarHBondContact O-N 3.01Å; L21-M24 HydrophobicContact CD2-CE 3.8Å; L21-M24 PolarHBondContact O-N 3.04Å; T22-M24 PolarHBondContact O-N 3.25Å; M24-N28 VanDerWaalsContact O-CB 3.29Å; M24-N28 WeakPolarHBondContact O-CB 3.4Å; M24-N28 PolarHBondContact O-N 3.48Å; M24-F42 HydrophobicContact CB-CE1 4.04Å; M24-F42 HydrophobicContact CB-CZ 4.31Å; M24-F47 HydrophobicContact CE-CE2 4Å; M24-F47 HydrophobicContact CE-CZ 3.97Å; M24-F102 HydrophobicContact CG-CD1 3.55Å; M24-F102 HydrophobicContact CG-CD2 4.4Å; M24-F102 HydrophobicContact CG-CE1 3.53Å; M24-F102 HydrophobicContact CG-CE2 4.38Å; M24-F102 HydrophobicContact CG-CG 4.01Å; M24-F102 HydrophobicContact CG-CZ 3.98Å; M24-F102 HydrophobicContact SD-CD1 4.32Å; M24-F102 HydrophobicContact SD-CD2 4.48Å; M24-F102 HydrophobicContact SD-CG 4.21Å |
| 25 | A | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -50.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L21 T22 A23 Q27 N28 S29 L34 I39 F42 | L21-A25 PolarHBondContact O-N 3.41Å; L21-A25 VanDerWaalsContact O-N 3.12Å; T22-A25 WeakPolarHBondContact O-CB 3.32Å; T22-A25 PolarHBondContact O-N 3.02Å; A23-A25 VanDerWaalsContact C-N 3.32Å; A23-A25 PolarHBondContact O-N 3.48Å; A25-Q27 PolarHBondContact O-N 3.07Å; A25-N28 PolarHBondContact O-N 3.46Å; A25-S29 PolarHBondContact O-N 2.98Å; A25-L34 HydrophobicContact CB-CD1 4.09Å; A25-L34 VanDerWaalsContact O-CD1 3.24Å; A25-L34 WeakPolarHBondContact O-CD1 3.27Å; A25-I39 HydrophobicContact CB-CG2 4.35Å; A25-F42 HydrophobicContact CB-CB 4.06Å; A25-F42 HydrophobicContact CB-CD1 3.37Å; A25-F42 HydrophobicContact CB-CE1 3.88Å; A25-F42 HydrophobicContact CB-CG 3.72Å |
| 26 | I | 95.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | -178.7 | -67.7 | 172.2 | 0 | 0 | 0 | 110.8 | T22 A23 N28 S29 K32 F71 L89 | T22-I26 HydrophobicContact CG2-CD1 3.81Å; T22-I26 HydrophobicContact CG2-CG1 4.42Å; T22-I26 WeakPolarHBondContact O-CG1 3.4Å; T22-I26 PolarHBondContact O-N 3.48Å; A23-I26 PolarHBondContact O-N 3.08Å; I26-N28 VanDerWaalsContact C-N 3.29Å; I26-N28 PolarHBondContact O-N 3.41Å; I26-S29 WeakPolarHBondContact O-CB 3.45Å; I26-S29 PolarHBondContact O-N 3.22Å; I26-S29 VanDerWaalsContact O-N 3.14Å; I26-S29 PolarHBondContact O-OG 3.33Å; I26-K32 WeakPolarHBondContact CG2-O 3.39Å; I26-F71 HydrophobicContact CD1-CD1 4.08Å; I26-F71 HydrophobicContact CD1-CE1 4.21Å; I26-L89 HydrophobicContact CB-CG 4.41Å; I26-L89 HydrophobicContact CD1-CG 4.32Å; I26-L89 HydrophobicContact CG2-CD1 4.34Å; I26-L89 HydrophobicContact CG2-CG 4.09Å |
| 27 | Q | 93.4 | Very high | 95.7 | Very high | 50 Ų | 50 | 43.2 Ų | 43.2 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.3 | -32 | 179.2 | -74.9 | 178 | -25.3 | 0 | 0 | 113.1 | A23 A25 S29 K32 L89 F97 | A23-Q27 WeakPolarHBondContact O-CB 3.37Å; A23-Q27 VanDerWaalsContact O-CG 3.3Å; A23-Q27 WeakPolarHBondContact O-CG 3.37Å; A23-Q27 PolarHBondContact O-N 3Å; A25-Q27 PolarHBondContact O-N 3.07Å; Q27-S29 VanDerWaalsContact C-N 3.27Å; Q27-S29 PolarHBondContact O-N 2.96Å; Q27-K32 PolarHBondContact O-NZ 3.23Å; Q27-L89 HydrophobicContact CG-CD1 3.92Å; Q27-F97 VanDerWaalsContact NE2-CB 3.32Å |
| 28 | N | 94.6 | Very high | 95.9 | Very high | 104 Ų | 104 | 43.3 Ų | 43.3 | 56% | 0.556 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -75.2 | -14.8 | 176.5 | -167.5 | 76.3 | 0 | 0 | 0 | 113.2 | M24 A25 I26 F42 | M24-N28 VanDerWaalsContact O-CB 3.29Å; M24-N28 WeakPolarHBondContact O-CB 3.4Å; M24-N28 PolarHBondContact O-N 3.48Å; A25-N28 PolarHBondContact O-N 3.46Å; I26-N28 VanDerWaalsContact C-N 3.29Å; I26-N28 PolarHBondContact O-N 3.41Å; N28-F42 HydrophobicContact CB-CE2 3.69Å; N28-F42 HydrophobicContact CB-CZ 4.13Å |
| 29 | S | 95.3 | Very high | 96 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -77.6 | 146 | 171.6 | 75.1 | 0 | 0 | 0 | 0 | 111.2 | A25 I26 Q27 K32 M33 | A25-S29 PolarHBondContact O-N 2.98Å; I26-S29 WeakPolarHBondContact O-CB 3.45Å; I26-S29 PolarHBondContact O-N 3.22Å; I26-S29 VanDerWaalsContact O-N 3.14Å; I26-S29 PolarHBondContact O-OG 3.33Å; Q27-S29 VanDerWaalsContact C-N 3.27Å; Q27-S29 PolarHBondContact O-N 2.96Å; S29-K32 PolarHBondContact O-N 3.41Å; S29-K32 WeakPolarHBondContact OG-CA 3.1Å; S29-K32 PolarHBondContact OG-N 3Å; S29-K32 VanDerWaalsContact OG-N 3.16Å; S29-M33 PolarHBondContact OG-N 3.12Å; S29-M33 PolarHBondContact OG-O 2.89Å |
| 30 | T | 95.6 | Very high | 96.1 | Very high | 138 Ų | 138 | 40.9 Ų | 40.9 | 85% | 0.847 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -39.3 | 176.2 | 46.7 | 0 | 0 | 0 | 0 | 111.7 | K32 | T30-K32 VanDerWaalsContact C-N 3.29Å; T30-K32 PolarHBondContact O-N 2.84Å |
| 31 | E | 94.7 | Very high | 96.3 | Very high | 127 Ų | 127 | 45.8 Ų | 45.8 | 59% | 0.593 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.1 | -177.1 | -59.8 | -175 | 172.6 | 0 | 0 | 113.9 | M33 | E31-M33 HydrophobicContact CB-CG 4.03Å; E31-M33 PolarHBondContact O-N 2.83Å; E31-M33 VanDerWaalsContact O-N 3.07Å |
| 32 | K | 95.4 | Very high | 96.4 | Very high | 122 Ų | 122 | 47 Ų | 47 | 53% | 0.53 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 52.9 | 27.6 | -174.7 | -54.2 | -61.6 | 176.8 | -178.3 | 0 | 113.4 | I26 Q27 S29 T30 | I26-K32 WeakPolarHBondContact CG2-O 3.39Å; Q27-K32 PolarHBondContact O-NZ 3.23Å; S29-K32 PolarHBondContact O-N 3.41Å; S29-K32 WeakPolarHBondContact OG-CA 3.1Å; S29-K32 PolarHBondContact OG-N 3Å; S29-K32 VanDerWaalsContact OG-N 3.16Å; T30-K32 VanDerWaalsContact C-N 3.29Å; T30-K32 PolarHBondContact O-N 2.84Å |
| 33 | M | 96 | Very high | 96.4 | Very high | 53 Ų | 53 | 47 Ų | 47 | 26% | 0.261 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 147.4 | 173.7 | 68.5 | -177.9 | 78.4 | 0 | 0 | 110 | S29 E31 I74 F86 W87 A88 | S29-M33 PolarHBondContact OG-N 3.12Å; S29-M33 PolarHBondContact OG-O 2.89Å; E31-M33 HydrophobicContact CB-CG 4.03Å; E31-M33 PolarHBondContact O-N 2.83Å; E31-M33 VanDerWaalsContact O-N 3.07Å; M33-I74 HydrophobicContact CE-CD1 4.05Å; M33-I74 HydrophobicContact SD-CD1 4.18Å; M33-F86 HydrophobicContact CB-CB 4.4Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.18Å; M33-F86 HydrophobicContact CG-CG 4.4Å; M33-F86 HydrophobicContact SD-CB 4.1Å; M33-F86 HydrophobicContact SD-CD1 4.43Å; M33-F86 HydrophobicContact SD-CG 4.13Å; M33-W87 VanDerWaalsContact CA-O 3.28Å; M33-W87 WeakPolarHBondContact CA-O 3.3Å; M33-A88 HydrophobicContact CB-CB 3.96Å |
| 34 | L | 97.4 | Very high | 96.5 | Very high | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.3 | 179 | -74.6 | 176.6 | 0 | 0 | 0 | 111.6 | A25 D38 I39 W87 | A25-L34 HydrophobicContact CB-CD1 4.09Å; A25-L34 VanDerWaalsContact O-CD1 3.24Å; A25-L34 WeakPolarHBondContact O-CD1 3.27Å; L34-D38 HydrophobicContact CD2-CB 4.19Å; L34-I39 HydrophobicContact CB-CG1 3.95Å; L34-I39 HydrophobicContact CD1-CG1 4.44Å; L34-W87 PolarHBondContact N-O 3.11Å; L34-W87 PolarHBondContact O-N 3.03Å |
| 35 | P | 97.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 157.2 | 166.6 | 33.4 | -35 | 0 | 0 | 0 | 110.5 | S37 D38 I39 F86 | P35-S37 PolarHBondContact O-N 3.39Å; P35-S37 VanDerWaalsContact O-N 3.13Å; P35-D38 WeakPolarHBondContact CD-OD2 3.5Å; P35-D38 HydrophobicContact CG-CB 4.04Å; P35-D38 WeakPolarHBondContact CG-OD2 3.28Å; P35-D38 PolarHBondContact O-N 3Å; P35-I39 PolarHBondContact O-N 3.46Å; P35-F86 HydrophobicContact CB-CD1 4.47Å; P35-F86 HydrophobicContact CG-CE1 4.49Å |
| 36 | L | 97.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 60 Ų | 60 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.4 | -37.5 | -179.7 | -179.6 | 59.8 | 0 | 0 | 0 | 113.5 | D38 I39 Y40 L61 R62 L65 | L36-D38 VanDerWaalsContact C-N 3.29Å; L36-D38 PolarHBondContact O-N 3.13Å; L36-I39 PolarHBondContact O-N 2.97Å; L36-Y40 HydrophobicContact CD1-CD1 4.3Å; L36-Y40 HydrophobicContact CD1-CE1 3.53Å; L36-Y40 HydrophobicContact CD1-CE2 4.17Å; L36-Y40 VanDerWaalsContact CD1-CZ 3.46Å; L36-Y40 WeakPolarHBondContact CD1-OH 3.36Å; L36-Y40 HydrophobicContact CD2-CE2 4.22Å; L36-Y40 WeakPolarHBondContact CD2-OH 3.48Å; L36-Y40 HydrophobicContact CG-CD2 4.47Å; L36-Y40 HydrophobicContact CG-CE1 4.05Å; L36-Y40 HydrophobicContact CG-CE2 3.72Å; L36-Y40 VanDerWaalsContact CG-CZ 3.48Å; L36-Y40 WeakPolarHBondContact O-CD2 3.48Å; L36-Y40 PolarHBondContact O-N 3.36Å; L36-L61 HydrophobicContact CD1-CD2 3.85Å; L36-R62 HydrophobicContact CD1-CG 4.32Å; L36-R62 HydrophobicContact CD2-CG 3.87Å; L36-L65 HydrophobicContact CD1-CD1 3.5Å |
| 37 | S | 97.6 | Very high | 96.4 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 178 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | P35 Y40 K41 | P35-S37 PolarHBondContact O-N 3.39Å; P35-S37 VanDerWaalsContact O-N 3.13Å; S37-Y40 WeakPolarHBondContact O-CB 3.38Å; S37-Y40 PolarHBondContact O-N 3.46Å; S37-K41 WeakPolarHBondContact O-CG 3.37Å; S37-K41 PolarHBondContact O-N 3.35Å |
| 38 | D | 97.9 | Very high | 96.5 | Very high | 53 Ų | 53 | 61 Ų | 61 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -84.5 | -26.6 | -174.4 | -62.5 | -20.5 | 0 | 0 | 0 | 111.4 | L34 P35 L36 Y40 K41 F42 | L34-D38 HydrophobicContact CD2-CB 4.19Å; P35-D38 WeakPolarHBondContact CD-OD2 3.5Å; P35-D38 HydrophobicContact CG-CB 4.04Å; P35-D38 WeakPolarHBondContact CG-OD2 3.28Å; P35-D38 PolarHBondContact O-N 3Å; L36-D38 VanDerWaalsContact C-N 3.29Å; L36-D38 PolarHBondContact O-N 3.13Å; D38-Y40 VanDerWaalsContact C-N 3.28Å; D38-Y40 PolarHBondContact O-N 3.39Å; D38-K41 PolarHBondContact O-N 3.19Å; D38-K41 IonicContact OD1-NZ 2.88Å; D38-K41 PolarHBondContact OD1-NZ 3.44Å; D38-F42 WeakPolarHBondContact O-CB 3.44Å; D38-F42 PolarHBondContact O-N 3.18Å |
| 39 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | 166.4 | -60.4 | 167.2 | 0 | 0 | 0 | 110 | T22 A25 L34 P35 L36 I43 L61 W87 | T22-I39 HydrophobicContact CG2-CD1 4.21Å; T22-I39 HydrophobicContact CG2-CG2 4.46Å; A25-I39 HydrophobicContact CB-CG2 4.35Å; L34-I39 HydrophobicContact CB-CG1 3.95Å; L34-I39 HydrophobicContact CD1-CG1 4.44Å; P35-I39 PolarHBondContact O-N 3.46Å; L36-I39 PolarHBondContact O-N 2.97Å; I39-I43 HydrophobicContact CG2-CD1 3.94Å; I39-I43 VanDerWaalsContact O-CG1 3.28Å; I39-I43 WeakPolarHBondContact O-CG1 3.47Å; I39-I43 PolarHBondContact O-N 3.23Å; I39-L61 HydrophobicContact CG2-CD1 4.24Å; I39-L61 HydrophobicContact CG2-CD2 3.99Å; I39-W87 HydrophobicContact CD1-CB 4.17Å |
| 40 | Y | 98 | Very high | 96.5 | Very high | 27 Ų | 27 | 60 Ų | 60 | 11% | 0.106 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 176.3 | -60.5 | -29.1 | 0 | 0 | 0 | 112.3 | L36 S37 D38 I43 M44 W57 Q58 L61 R62 | L36-Y40 HydrophobicContact CD1-CD1 4.3Å; L36-Y40 HydrophobicContact CD1-CE1 3.53Å; L36-Y40 HydrophobicContact CD1-CE2 4.17Å; L36-Y40 VanDerWaalsContact CD1-CZ 3.46Å; L36-Y40 WeakPolarHBondContact CD1-OH 3.36Å; L36-Y40 HydrophobicContact CD2-CE2 4.22Å; L36-Y40 WeakPolarHBondContact CD2-OH 3.48Å; L36-Y40 HydrophobicContact CG-CD2 4.47Å; L36-Y40 HydrophobicContact CG-CE1 4.05Å; L36-Y40 HydrophobicContact CG-CE2 3.72Å; L36-Y40 VanDerWaalsContact CG-CZ 3.48Å; L36-Y40 WeakPolarHBondContact O-CD2 3.48Å; L36-Y40 PolarHBondContact O-N 3.36Å; S37-Y40 WeakPolarHBondContact O-CB 3.38Å; S37-Y40 PolarHBondContact O-N 3.46Å; D38-Y40 VanDerWaalsContact C-N 3.28Å; D38-Y40 PolarHBondContact O-N 3.39Å; Y40-I43 PolarHBondContact O-N 3.21Å; Y40-M44 WeakPolarHBondContact O-CG 3.4Å; Y40-M44 PolarHBondContact O-N 3.04Å; Y40-W57 AromaticContact CD1-CH2 3.85Å; Y40-W57 HydrophobicContact CD1-CH2 3.85Å; Y40-W57 AromaticContact CD1-CZ3 3.81Å; Y40-W57 HydrophobicContact CD1-CZ3 3.81Å; Y40-W57 HydrophobicContact CE1-CZ3 4.32Å; Y40-W57 HydrophobicContact CG-CH2 4.3Å; Y40-Q58 HydrophobicContact CD1-CG 3.86Å; Y40-Q58 HydrophobicContact CD2-CG 4.43Å; Y40-Q58 HydrophobicContact CE1-CB 3.9Å; Y40-Q58 HydrophobicContact CE1-CG 3.66Å; Y40-Q58 HydrophobicContact CE2-CG 4.27Å; Y40-Q58 HydrophobicContact CG-CG 4.23Å; Y40-L61 HydrophobicContact CD1-CD2 4.24Å; Y40-L61 HydrophobicContact CE1-CD2 3.76Å; Y40-R62 WeakPolarHBondContact OH-CD 3.42Å; Y40-R62 WeakPolarHBondContact OH-CG 3.38Å; Y40-R62 PolarHBondContact OH-NH1 3.21Å |
| 41 | K | 98 | Very high | 96.5 | Very high | 108 Ų | 108 | 60.1 Ų | 60.1 | 47% | 0.47 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.8 | -51.9 | 178.9 | -67.4 | 172.6 | -168.7 | 160.7 | 0 | 111 | S37 D38 I43 M44 D45 | S37-K41 WeakPolarHBondContact O-CG 3.37Å; S37-K41 PolarHBondContact O-N 3.35Å; D38-K41 PolarHBondContact O-N 3.19Å; D38-K41 IonicContact OD1-NZ 2.88Å; D38-K41 PolarHBondContact OD1-NZ 3.44Å; K41-I43 VanDerWaalsContact C-N 3.26Å; K41-I43 PolarHBondContact O-N 3.06Å; K41-M44 PolarHBondContact O-N 3.36Å; K41-M44 VanDerWaalsContact O-N 3.08Å; K41-D45 WeakPolarHBondContact O-CB 3.37Å; K41-D45 PolarHBondContact O-N 2.9Å |
| 42 | F | 97.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 60.8 Ų | 60.8 | 11% | 0.114 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -52.8 | -44 | 179.3 | 177.5 | -90.5 | 0 | 0 | 0 | 112.8 | M24 A25 N28 D38 R46 | M24-F42 HydrophobicContact CB-CE1 4.04Å; M24-F42 HydrophobicContact CB-CZ 4.31Å; A25-F42 HydrophobicContact CB-CB 4.06Å; A25-F42 HydrophobicContact CB-CD1 3.37Å; A25-F42 HydrophobicContact CB-CE1 3.88Å; A25-F42 HydrophobicContact CB-CG 3.72Å; N28-F42 HydrophobicContact CB-CE2 3.69Å; N28-F42 HydrophobicContact CB-CZ 4.13Å; D38-F42 WeakPolarHBondContact O-CB 3.44Å; D38-F42 PolarHBondContact O-N 3.18Å; F42-R46 WeakPolarHBondContact O-CB 3.5Å; F42-R46 PolarHBondContact O-N 3.06Å |
| 43 | I | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.3 | -45 | -179.9 | -66.4 | 169.6 | 0 | 0 | 0 | 110.9 | L21 I39 Y40 K41 D45 F47 Y50 W57 L61 | L21-I43 HydrophobicContact CB-CD1 3.87Å; L21-I43 HydrophobicContact CB-CG1 4.19Å; L21-I43 HydrophobicContact CD1-CG2 4.47Å; I39-I43 HydrophobicContact CG2-CD1 3.94Å; I39-I43 VanDerWaalsContact O-CG1 3.28Å; I39-I43 WeakPolarHBondContact O-CG1 3.47Å; I39-I43 PolarHBondContact O-N 3.23Å; Y40-I43 PolarHBondContact O-N 3.21Å; K41-I43 VanDerWaalsContact C-N 3.26Å; K41-I43 PolarHBondContact O-N 3.06Å; I43-D45 VanDerWaalsContact C-N 3.32Å; I43-D45 PolarHBondContact O-N 3.45Å; I43-F47 HydrophobicContact CG2-CD2 4.45Å; I43-F47 WeakPolarHBondContact O-CA 3.47Å; I43-F47 WeakPolarHBondContact O-CB 3.49Å; I43-F47 PolarHBondContact O-N 3.49Å; I43-Y50 HydrophobicContact CG2-CD2 3.45Å; I43-Y50 VanDerWaalsContact CG2-CD2 3.45Å; I43-Y50 HydrophobicContact CG2-CE2 4.1Å; I43-Y50 HydrophobicContact CG2-CG 3.73Å; I43-W57 HydrophobicContact CD1-CZ3 4.28Å; I43-W57 HydrophobicContact CG2-CH2 4.44Å; I43-W57 HydrophobicContact CG2-CZ3 4.44Å; I43-L61 HydrophobicContact CD1-CD1 3.36Å |
| 44 | M | 96.4 | Very high | 96 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 21% | 0.212 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.3 | -33 | 179.5 | -69.5 | -175 | -61.8 | 0 | 0 | 112.8 | Y40 K41 R51 T54 W57 | Y40-M44 WeakPolarHBondContact O-CG 3.4Å; Y40-M44 PolarHBondContact O-N 3.04Å; K41-M44 PolarHBondContact O-N 3.36Å; K41-M44 VanDerWaalsContact O-N 3.08Å; M44-R51 HydrophobicContact CB-CG 4.14Å; M44-R51 PolarHBondContact O-NE 3.03Å; M44-R51 PolarHBondContact O-NH2 2.85Å; M44-T54 HydrophobicContact SD-CG2 4.2Å; M44-W57 HydrophobicContact CG-CH2 4.28Å; M44-W57 HydrophobicContact CG-CZ2 3.81Å; M44-W57 HydrophobicContact SD-CZ2 4.12Å |
| 45 | D | 96.3 | Very high | 95.9 | Very high | 115 Ų | 115 | 65.8 Ų | 65.8 | 62% | 0.615 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -71.6 | -47.3 | 179 | -66 | -18.4 | 0 | 0 | 0 | 110.4 | K41 I43 | K41-D45 WeakPolarHBondContact O-CB 3.37Å; K41-D45 PolarHBondContact O-N 2.9Å; I43-D45 VanDerWaalsContact C-N 3.32Å; I43-D45 PolarHBondContact O-N 3.45Å |
| 46 | R | 95.3 | Very high | 95.9 | Very high | 132 Ų | 132 | 75 Ų | 75 | 50% | 0.498 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -78.9 | -32 | -177.4 | -172.8 | 171.9 | -75.3 | -131.4 | 0.2 | 113.7 | F42 | F42-R46 WeakPolarHBondContact O-CB 3.5Å; F42-R46 PolarHBondContact O-N 3.06Å |
| 47 | F | 94.8 | Very high | 95.8 | Very high | 29 Ų | 29 | 73.3 Ų | 73.3 | 13% | 0.127 | 34% | 0.338 | C | S | . | . | trans | -128.4 | 92.6 | -174.4 | -58 | -67.9 | 0 | 0 | 0 | 110.6 | P14 Y16 L21 M24 I43 Y49 Y50 | P14-F47 HydrophobicContact CB-CD1 3.9Å; P14-F47 HydrophobicContact CB-CE1 4.07Å; P14-F47 HydrophobicContact CB-CG 4.46Å; P14-F47 HydrophobicContact CG-CB 3.85Å; P14-F47 HydrophobicContact CG-CD1 3.4Å; P14-F47 HydrophobicContact CG-CE1 4.1Å; P14-F47 HydrophobicContact CG-CG 3.72Å; Y16-F47 AromaticContact CD2-CE1 3.9Å; Y16-F47 HydrophobicContact CD2-CE1 3.9Å; Y16-F47 HydrophobicContact CD2-CE2 4.49Å; Y16-F47 AromaticContact CD2-CZ 3.68Å; Y16-F47 HydrophobicContact CD2-CZ 3.68Å; Y16-F47 AromaticContact CE2-CE1 3.78Å; Y16-F47 HydrophobicContact CE2-CE1 3.78Å; Y16-F47 AromaticContact CE2-CZ 3.73Å; Y16-F47 HydrophobicContact CE2-CZ 3.73Å; L21-F47 HydrophobicContact CD2-CD2 3.63Å; L21-F47 HydrophobicContact CD2-CE2 3.36Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; M24-F47 HydrophobicContact CE-CE2 4Å; M24-F47 HydrophobicContact CE-CZ 3.97Å; I43-F47 HydrophobicContact CG2-CD2 4.45Å; I43-F47 WeakPolarHBondContact O-CA 3.47Å; I43-F47 WeakPolarHBondContact O-CB 3.49Å; I43-F47 PolarHBondContact O-N 3.49Å; F47-Y49 PolarHBondContact O-N 2.98Å; F47-Y50 HydrophobicContact CB-CD2 3.77Å; F47-Y50 HydrophobicContact CB-CE2 4.24Å; F47-Y50 PolarHBondContact O-N 3.37Å | ||
| 48 | P | 94.1 | Very high | 95.9 | Very high | 43 Ų | 43 | 71.8 Ų | 71.8 | 28% | 0.279 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -53.8 | -30.3 | -176.2 | -28.8 | 36.1 | 0 | 0 | 0 | 114.7 | Y50 R51 | P48-Y50 PolarHBondContact O-N 3.45Å; P48-R51 WeakPolarHBondContact O-CB 3.48Å; P48-R51 WeakPolarHBondContact O-CG 3.23Å; P48-R51 PolarHBondContact O-N 3.47Å |
| 49 | Y | 94.4 | Very high | 95.9 | Very high | 97 Ų | 97 | 73.9 Ų | 73.9 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -46.1 | -33.2 | 172.6 | 174.8 | -105.5 | 0 | 0 | 0 | 114.6 | E11 K13 F47 | E11-Y49 WeakPolarHBondContact O-CD2 3.38Å; K13-Y49 HydrophobicContact CB-CD1 4.07Å; K13-Y49 HydrophobicContact CB-CD2 4.36Å; K13-Y49 HydrophobicContact CB-CE1 3.67Å; K13-Y49 HydrophobicContact CB-CE2 3.97Å; K13-Y49 HydrophobicContact CB-CG 4.39Å; K13-Y49 HydrophobicContact CD-CE1 4.03Å; K13-Y49 HydrophobicContact CG-CD1 4.08Å; K13-Y49 HydrophobicContact CG-CE1 3.54Å; F47-Y49 PolarHBondContact O-N 2.98Å |
| 50 | Y | 96 | Very high | 95.8 | Very high | 4 Ų | 4 | 75.7 Ų | 75.7 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -89.8 | 2.2 | -176.7 | -68.1 | -71.8 | 0 | 0 | 0 | 114.5 | P14 Y18 L21 I43 F47 P48 E52 W57 | P14-Y50 HydrophobicContact CG-CE2 4.03Å; Y18-Y50 HydrophobicContact CE1-CE1 4.11Å; L21-Y50 HydrophobicContact CD1-CE2 3.79Å; I43-Y50 HydrophobicContact CG2-CD2 3.45Å; I43-Y50 VanDerWaalsContact CG2-CD2 3.45Å; I43-Y50 HydrophobicContact CG2-CE2 4.1Å; I43-Y50 HydrophobicContact CG2-CG 3.73Å; F47-Y50 HydrophobicContact CB-CD2 3.77Å; F47-Y50 HydrophobicContact CB-CE2 4.24Å; F47-Y50 PolarHBondContact O-N 3.37Å; P48-Y50 PolarHBondContact O-N 3.45Å; Y50-E52 VanDerWaalsContact C-N 3.28Å; Y50-W57 HydrophobicContact CD1-CB 4.08Å; Y50-W57 AromaticContact CD1-CD1 3.84Å; Y50-W57 AromaticContact CD1-CD2 3.83Å; Y50-W57 HydrophobicContact CD1-CD2 3.83Å; Y50-W57 HydrophobicContact CD1-CE3 4.38Å; Y50-W57 AromaticContact CD1-CG 3.68Å; Y50-W57 HydrophobicContact CD1-CG 3.68Å; Y50-W57 HydrophobicContact CE1-CB 4.24Å; Y50-W57 HydrophobicContact CE1-CG 4.31Å; Y50-W57 HydrophobicContact CG-CD2 4.47Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.36Å; Y50-W57 PolarHBondContact O-NE1 3.45Å |
| 51 | R | 95.3 | Very high | 95.8 | Very high | 140 Ų | 140 | 74.4 Ų | 74.4 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -71.6 | -26.9 | 176.9 | -66.1 | 176.1 | -172.2 | 171.4 | 1.8 | 112.3 | M44 P48 T54 | M44-R51 HydrophobicContact CB-CG 4.14Å; M44-R51 PolarHBondContact O-NE 3.03Å; M44-R51 PolarHBondContact O-NH2 2.85Å; P48-R51 WeakPolarHBondContact O-CB 3.48Å; P48-R51 WeakPolarHBondContact O-CG 3.23Å; P48-R51 PolarHBondContact O-N 3.47Å; R51-T54 WeakPolarHBondContact O-CG2 3.37Å |
| 52 | E | 91.9 | Very high | 95.8 | Very high | 141 Ų | 141 | 73.5 Ų | 73.5 | 66% | 0.659 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -94.5 | 161.1 | 176.7 | -61.6 | -177.3 | -176.8 | 0 | 0 | 111.6 | Y50 T54 | Y50-E52 VanDerWaalsContact C-N 3.28Å; E52-T54 PolarHBondContact O-N 2.91Å; E52-T54 VanDerWaalsContact O-N 3.1Å |
| 53 | N | 90.7 | Very high | 95.8 | Very high | 131 Ų | 131 | 77.4 Ų | 77.4 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 51.7 | 38.6 | 173.8 | -63.1 | -61.3 | 0 | 0 | 0 | 113.7 | Q55 R56 | N53-Q55 VanDerWaalsContact C-N 3.27Å; N53-Q55 PolarHBondContact O-N 2.86Å; N53-Q55 VanDerWaalsContact O-N 3.13Å; N53-R56 PolarHBondContact O-N 3.43Å |
| 54 | T | 93.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 78.7 Ų | 78.7 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.8 | -39.1 | -167.3 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | M44 R51 E52 R56 Q58 | M44-T54 HydrophobicContact SD-CG2 4.2Å; R51-T54 WeakPolarHBondContact O-CG2 3.37Å; E52-T54 PolarHBondContact O-N 2.91Å; E52-T54 VanDerWaalsContact O-N 3.1Å; T54-R56 PolarHBondContact O-N 2.93Å; T54-Q58 WeakPolarHBondContact O-CB 3.48Å; T54-Q58 WeakPolarHBondContact O-CG 3.24Å; T54-Q58 PolarHBondContact O-N 3.33Å |
| 55 | Q | 96.6 | Very high | 95.8 | Very high | 132 Ų | 132 | 76.8 Ų | 76.8 | 62% | 0.617 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.8 | -43.5 | -177.8 | -66.4 | -61.3 | -22.4 | 0 | 0 | 113.6 | N53 N59 | N53-Q55 VanDerWaalsContact C-N 3.27Å; N53-Q55 PolarHBondContact O-N 2.86Å; N53-Q55 VanDerWaalsContact O-N 3.13Å; Q55-N59 WeakPolarHBondContact O-CB 3.38Å; Q55-N59 PolarHBondContact O-N 3.19Å |
| 56 | R | 96 | Very high | 95.8 | Very high | 204 Ų | 204 | 76 Ų | 76 | 77% | 0.77 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.2 | -49.3 | -172.7 | -179.7 | -178.6 | -113.7 | -83.3 | 2.8 | 111.9 | N53 T54 S60 | N53-R56 PolarHBondContact O-N 3.43Å; T54-R56 PolarHBondContact O-N 2.93Å; R56-S60 PolarHBondContact O-N 3.19Å; R56-S60 PolarHBondContact O-OG 3.24Å |
| 57 | W | 96.7 | Very high | 95.7 | Very high | 11 Ų | 11 | 75.5 Ų | 75.5 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76.6 | -33.5 | -177.7 | 72.3 | -104.8 | 0 | 0 | 0 | 111.3 | Y18 Y40 I43 M44 Y50 N59 S60 L61 | Y18-W57 HydrophobicContact CE1-CB 4.14Å; Y18-W57 WeakPolarHBondContact OH-CB 3.47Å; Y40-W57 AromaticContact CD1-CH2 3.85Å; Y40-W57 HydrophobicContact CD1-CH2 3.85Å; Y40-W57 AromaticContact CD1-CZ3 3.81Å; Y40-W57 HydrophobicContact CD1-CZ3 3.81Å; Y40-W57 HydrophobicContact CE1-CZ3 4.32Å; Y40-W57 HydrophobicContact CG-CH2 4.3Å; I43-W57 HydrophobicContact CD1-CZ3 4.28Å; I43-W57 HydrophobicContact CG2-CH2 4.44Å; I43-W57 HydrophobicContact CG2-CZ3 4.44Å; M44-W57 HydrophobicContact CG-CH2 4.28Å; M44-W57 HydrophobicContact CG-CZ2 3.81Å; M44-W57 HydrophobicContact SD-CZ2 4.12Å; Y50-W57 HydrophobicContact CD1-CB 4.08Å; Y50-W57 AromaticContact CD1-CD1 3.84Å; Y50-W57 AromaticContact CD1-CD2 3.83Å; Y50-W57 HydrophobicContact CD1-CD2 3.83Å; Y50-W57 HydrophobicContact CD1-CE3 4.38Å; Y50-W57 AromaticContact CD1-CG 3.68Å; Y50-W57 HydrophobicContact CD1-CG 3.68Å; Y50-W57 HydrophobicContact CE1-CB 4.24Å; Y50-W57 HydrophobicContact CE1-CG 4.31Å; Y50-W57 HydrophobicContact CG-CD2 4.47Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.36Å; Y50-W57 PolarHBondContact O-NE1 3.45Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 2.96Å; W57-S60 CarbonylContact O-C 3.59Å; W57-S60 WeakPolarHBondContact O-CB 2.91Å; W57-S60 PolarHBondContact O-N 3.3Å; W57-L61 HydrophobicContact CE3-CB 4.45Å; W57-L61 HydrophobicContact CE3-CD1 4.46Å; W57-L61 HydrophobicContact CZ3-CD1 4.15Å; W57-L61 WeakPolarHBondContact O-CB 3.46Å; W57-L61 PolarHBondContact O-N 2.98Å |
| 58 | Q | 98 | Very high | 95.6 | Very high | 27 Ų | 27 | 74.9 Ų | 74.9 | 13% | 0.126 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 174.8 | -72.6 | 179.3 | 7.9 | 0 | 0 | 111.8 | Y40 T54 L61 R62 | Y40-Q58 HydrophobicContact CD1-CG 3.86Å; Y40-Q58 HydrophobicContact CD2-CG 4.43Å; Y40-Q58 HydrophobicContact CE1-CB 3.9Å; Y40-Q58 HydrophobicContact CE1-CG 3.66Å; Y40-Q58 HydrophobicContact CE2-CG 4.27Å; Y40-Q58 HydrophobicContact CG-CG 4.23Å; T54-Q58 WeakPolarHBondContact O-CB 3.48Å; T54-Q58 WeakPolarHBondContact O-CG 3.24Å; T54-Q58 PolarHBondContact O-N 3.33Å; Q58-L61 PolarHBondContact O-N 3.09Å; Q58-R62 WeakPolarHBondContact O-CG 3.39Å; Q58-R62 PolarHBondContact O-N 3.27Å |
| 59 | N | 98 | Very high | 95.5 | Very high | 97 Ų | 97 | 76.3 Ų | 76.3 | 52% | 0.519 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 172.3 | -171.3 | 27.6 | 0 | 0 | 0 | 111.3 | Q55 W57 L61 R62 H63 | Q55-N59 WeakPolarHBondContact O-CB 3.38Å; Q55-N59 PolarHBondContact O-N 3.19Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 2.96Å; N59-L61 VanDerWaalsContact C-N 3.26Å; N59-L61 PolarHBondContact O-N 3.33Å; N59-R62 PolarHBondContact O-N 2.81Å; N59-H63 PolarHBondContact O-N 3.39Å |
| 60 | S | 97.4 | Very high | 95.4 | Very high | 38 Ų | 38 | 71.9 Ų | 71.9 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 175.7 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | R56 W57 H63 N64 | R56-S60 PolarHBondContact O-N 3.19Å; R56-S60 PolarHBondContact O-OG 3.24Å; W57-S60 CarbonylContact O-C 3.59Å; W57-S60 WeakPolarHBondContact O-CB 2.91Å; W57-S60 PolarHBondContact O-N 3.3Å; S60-H63 PolarHBondContact O-N 3.43Å; S60-N64 PolarHBondContact O-N 3.44Å; S60-N64 PolarHBondContact O-ND2 2.83Å |
| 61 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69 | -43 | 178.6 | -168 | 135.2 | 0 | 0 | 0 | 112.1 | Y18 L36 I39 Y40 I43 W57 Q58 N59 H63 N64 L65 | Y18-L61 HydrophobicContact CD1-CD1 4.34Å; L36-L61 HydrophobicContact CD1-CD2 3.85Å; I39-L61 HydrophobicContact CG2-CD1 4.24Å; I39-L61 HydrophobicContact CG2-CD2 3.99Å; Y40-L61 HydrophobicContact CD1-CD2 4.24Å; Y40-L61 HydrophobicContact CE1-CD2 3.76Å; I43-L61 HydrophobicContact CD1-CD1 3.36Å; W57-L61 HydrophobicContact CE3-CB 4.45Å; W57-L61 HydrophobicContact CE3-CD1 4.46Å; W57-L61 HydrophobicContact CZ3-CD1 4.15Å; W57-L61 WeakPolarHBondContact O-CB 3.46Å; W57-L61 PolarHBondContact O-N 2.98Å; Q58-L61 PolarHBondContact O-N 3.09Å; N59-L61 VanDerWaalsContact C-N 3.26Å; N59-L61 PolarHBondContact O-N 3.33Å; L61-H63 VanDerWaalsContact C-N 3.32Å; L61-H63 PolarHBondContact O-N 2.84Å; L61-N64 WeakPolarHBondContact O-CB 3.48Å; L61-N64 PolarHBondContact O-N 3.49Å; L61-N64 VanDerWaalsContact O-N 3.11Å; L61-L65 HydrophobicContact CD2-CD1 3.84Å; L61-L65 HydrophobicContact CD2-CG 4.32Å; L61-L65 PolarHBondContact O-N 2.66Å |
| 62 | R | 98.1 | Very high | 95.5 | Very high | 88 Ų | 88 | 68.5 Ų | 68.5 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 174 | -72.1 | -173.7 | -61.7 | -96.1 | 6.7 | 111.9 | L36 Y40 Q58 N59 N64 L65 S66 | L36-R62 HydrophobicContact CD1-CG 4.32Å; L36-R62 HydrophobicContact CD2-CG 3.87Å; Y40-R62 WeakPolarHBondContact OH-CD 3.42Å; Y40-R62 WeakPolarHBondContact OH-CG 3.38Å; Y40-R62 PolarHBondContact OH-NH1 3.21Å; Q58-R62 WeakPolarHBondContact O-CG 3.39Å; Q58-R62 PolarHBondContact O-N 3.27Å; N59-R62 PolarHBondContact O-N 2.81Å; R62-N64 VanDerWaalsContact C-N 3.32Å; R62-N64 PolarHBondContact O-N 2.94Å; R62-L65 PolarHBondContact O-N 2.92Å; R62-S66 PolarHBondContact O-N 3.06Å |
| 63 | H | 97.8 | Very high | 95.7 | Very high | 108 Ų | 108 | 68.4 Ų | 68.4 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 173.6 | 172.1 | 69.9 | 0 | 0 | 0 | 111.4 | N59 S60 L61 L65 S66 F67 | N59-H63 PolarHBondContact O-N 3.39Å; S60-H63 PolarHBondContact O-N 3.43Å; L61-H63 VanDerWaalsContact C-N 3.32Å; L61-H63 PolarHBondContact O-N 2.84Å; H63-L65 PolarHBondContact O-N 3.21Å; H63-S66 PolarHBondContact O-N 2.96Å; H63-F67 AromaticContact CE1-CD2 3.91Å; H63-F67 AromaticContact CE1-CG 3.99Å; H63-F67 AromaticContact NE2-CG 3.95Å; H63-F67 WeakPolarHBondContact O-CB 3.26Å; H63-F67 PolarHBondContact O-N 3.36Å |
| 64 | N | 96.1 | Very high | 96 | Very high | 27 Ų | 27 | 64.4 Ų | 64.4 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 179.6 | -86.4 | -90.6 | 0 | 0 | 0 | 113.4 | S60 L61 R62 F67 N68 | S60-N64 PolarHBondContact O-N 3.44Å; S60-N64 PolarHBondContact O-ND2 2.83Å; L61-N64 WeakPolarHBondContact O-CB 3.48Å; L61-N64 PolarHBondContact O-N 3.49Å; L61-N64 VanDerWaalsContact O-N 3.11Å; R62-N64 VanDerWaalsContact C-N 3.32Å; R62-N64 PolarHBondContact O-N 2.94Å; N64-F67 PolarHBondContact O-N 2.88Å; N64-N68 PolarHBondContact O-N 3Å; N64-N68 VanDerWaalsContact O-N 3.11Å; N64-N68 PolarHBondContact O-ND2 3.1Å; N64-N68 PolarHBondContact OD1-ND2 3.24Å |
| 65 | L | 96.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 177.6 | -73.6 | 170.9 | 0 | 0 | 0 | 111.8 | T22 L36 L61 R62 H63 F71 W87 | T22-L65 HydrophobicContact CG2-CD2 3.68Å; L36-L65 HydrophobicContact CD1-CD1 3.5Å; L61-L65 HydrophobicContact CD2-CD1 3.84Å; L61-L65 HydrophobicContact CD2-CG 4.32Å; L61-L65 PolarHBondContact O-N 2.66Å; R62-L65 PolarHBondContact O-N 2.92Å; H63-L65 PolarHBondContact O-N 3.21Å; L65-F71 HydrophobicContact CD2-CB 4.1Å; L65-F71 HydrophobicContact CD2-CD1 4.27Å; L65-F71 HydrophobicContact CD2-CD2 4.04Å; L65-F71 HydrophobicContact CD2-CG 3.86Å; L65-W87 HydrophobicContact CB-CD2 4.15Å; L65-W87 HydrophobicContact CB-CE3 4.06Å; L65-W87 HydrophobicContact CB-CH2 3.73Å; L65-W87 HydrophobicContact CB-CZ2 3.86Å; L65-W87 HydrophobicContact CB-CZ3 3.85Å; L65-W87 HydrophobicContact CD1-CD2 4.17Å; L65-W87 HydrophobicContact CD1-CG 4.29Å; L65-W87 HydrophobicContact CD1-CZ2 4.39Å; L65-W87 HydrophobicContact CD2-CB 4.28Å; L65-W87 HydrophobicContact CD2-CD2 3.87Å; L65-W87 HydrophobicContact CD2-CE3 3.96Å; L65-W87 HydrophobicContact CD2-CG 4.02Å; L65-W87 HydrophobicContact CG-CD2 4.3Å; L65-W87 VanDerWaalsContact O-CZ3 3.23Å; L65-W87 WeakPolarHBondContact O-CZ3 3.25Å |
| 66 | S | 96.1 | Very high | 95.9 | Very high | 98 Ų | 98 | 64.1 Ų | 64.1 | 69% | 0.685 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -81.2 | -25.8 | 179.6 | -55.8 | 0 | 0 | 0 | 0 | 113.7 | R62 H63 | R62-S66 PolarHBondContact O-N 3.06Å; H63-S66 PolarHBondContact O-N 2.96Å |
| 67 | F | 93.6 | Very high | 95.7 | Very high | 123 Ų | 123 | 63.3 Ų | 63.3 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -87.5 | -31.1 | -174 | -179 | -96.3 | 0 | 0 | 0 | 113.9 | H63 N64 | H63-F67 AromaticContact CE1-CD2 3.91Å; H63-F67 AromaticContact CE1-CG 3.99Å; H63-F67 AromaticContact NE2-CG 3.95Å; H63-F67 WeakPolarHBondContact O-CB 3.26Å; H63-F67 PolarHBondContact O-N 3.36Å; N64-F67 PolarHBondContact O-N 2.88Å |
| 68 | N | 92.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 68.3 Ų | 68.3 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | trans | -103.1 | 125.9 | -175 | -60.2 | -87.1 | 0 | 0 | 0 | 111.2 | I19 N64 C70 F71 | I19-N68 WeakPolarHBondContact CD1-OD1 3.37Å; N64-N68 PolarHBondContact O-N 3Å; N64-N68 VanDerWaalsContact O-N 3.11Å; N64-N68 PolarHBondContact O-ND2 3.1Å; N64-N68 PolarHBondContact OD1-ND2 3.24Å; N68-C70 PolarHBondContact O-N 3.04Å; N68-F71 HydrophobicContact CB-CD2 4.37Å; N68-F71 PolarHBondContact O-N 2.78Å | ||
| 69 | D | 92.3 | Very high | 95 | Very high | 74 Ų | 74 | 74.7 Ų | 74.7 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -13.2 | 177.2 | -54.8 | -26.7 | 0 | 0 | 0 | 114.1 | F71 F109 L111 | D69-F71 PolarHBondContact O-N 2.84Å; D69-F109 HydrophobicContact CB-CD1 3.97Å; D69-F109 HydrophobicContact CB-CE1 3.73Å; D69-L111 HydrophobicContact CB-CB 4.01Å; D69-L111 PolarHBondContact OD2-N 2.88Å |
| 70 | C | 92.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.027 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -25.7 | 172 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | N68 L89 H90 C93 F109 | N68-C70 PolarHBondContact O-N 3.04Å; C70-L89 CarbonylContact O-C 3.56Å; C70-L89 WeakPolarHBondContact O-CA 3.43Å; C70-H90 PolarHBondContact O-N 2.9Å; C70-C93 HydrophobicContact CB-CB 4.27Å; C70-C93 PolarHBondContact O-SG 3.03Å; C70-C93 VanDerWaalsContact O-SG 3.33Å; C70-F109 HydrophobicContact CB-CD1 4.42Å; C70-F109 VanDerWaalsContact SG-CD1 3.54Å |
| 71 | F | 95.7 | Very high | 93.8 | Very high | 11 Ų | 11 | 79.6 Ų | 79.6 | 5% | 0.048 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.6 | -175.6 | -56.7 | -61.3 | 0 | 0 | 0 | 110.7 | I19 T22 I26 L65 N68 D69 W87 A88 L89 | I19-F71 HydrophobicContact CB-CE2 4.37Å; I19-F71 HydrophobicContact CB-CZ 4.38Å; I19-F71 HydrophobicContact CG1-CE2 4.36Å; I19-F71 HydrophobicContact CG2-CE2 4.06Å; I19-F71 HydrophobicContact CG2-CZ 3.88Å; T22-F71 HydrophobicContact CG2-CD1 3.8Å; T22-F71 HydrophobicContact CG2-CE1 3.28Å; T22-F71 HydrophobicContact CG2-CE2 4.27Å; T22-F71 HydrophobicContact CG2-CG 4.49Å; T22-F71 HydrophobicContact CG2-CZ 3.56Å; I26-F71 HydrophobicContact CD1-CD1 4.08Å; I26-F71 HydrophobicContact CD1-CE1 4.21Å; L65-F71 HydrophobicContact CD2-CB 4.1Å; L65-F71 HydrophobicContact CD2-CD1 4.27Å; L65-F71 HydrophobicContact CD2-CD2 4.04Å; L65-F71 HydrophobicContact CD2-CG 3.86Å; N68-F71 HydrophobicContact CB-CD2 4.37Å; N68-F71 PolarHBondContact O-N 2.78Å; D69-F71 PolarHBondContact O-N 2.84Å; F71-W87 HydrophobicContact CB-CE3 3.95Å; F71-W87 HydrophobicContact CB-CZ3 4.24Å; F71-A88 WeakPolarHBondContact CA-O 3.23Å; F71-L89 HydrophobicContact CD1-CD2 3.92Å; F71-L89 HydrophobicContact CE1-CD2 3.53Å |
| 72 | I | 96.5 | Very high | 93.4 | Very high | 62 Ų | 62 | 81.7 Ų | 81.7 | 32% | 0.318 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.6 | 176.4 | 60 | 174.5 | 0 | 0 | 0 | 109.8 | I74 W87 A88 H90 | I72-I74 HydrophobicContact CD1-CD1 4.44Å; I72-I74 HydrophobicContact CD1-CG1 4.47Å; I72-I74 HydrophobicContact CG1-CG1 4.39Å; I72-W87 WeakPolarHBondContact O-CA 2.98Å; I72-A88 HydrophobicContact CD1-CB 4.23Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 3.47Å; I72-A88 PolarHBondContact O-N 3.04Å; I72-H90 HydrophobicContact CG2-CB 4.27Å |
| 73 | K | 97.4 | Very high | 93.1 | Very high | 139 Ų | 139 | 87 Ų | 87 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 116.1 | 176.4 | -177 | -175.8 | 172.4 | -173.3 | 0 | 109.1 | S85 W87 | K73-S85 WeakPolarHBondContact CE-OG 3.34Å; K73-W87 HydrophobicContact CB-CE3 4.26Å; K73-W87 HydrophobicContact CB-CH2 4.07Å; K73-W87 HydrophobicContact CB-CZ2 4.46Å; K73-W87 HydrophobicContact CB-CZ3 3.96Å; K73-W87 HydrophobicContact CG-CZ2 4.45Å |
| 74 | I | 96.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 84.3 Ų | 84.3 | 24% | 0.241 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.8 | 180 | -59.1 | 176.4 | 0 | 0 | 0 | 109.1 | M33 I72 S85 F86 A88 | M33-I74 HydrophobicContact CE-CD1 4.05Å; M33-I74 HydrophobicContact SD-CD1 4.18Å; I72-I74 HydrophobicContact CD1-CD1 4.44Å; I72-I74 HydrophobicContact CD1-CG1 4.47Å; I72-I74 HydrophobicContact CG1-CG1 4.39Å; I74-S85 WeakPolarHBondContact O-CB 3.09Å; I74-F86 HydrophobicContact CB-CB 4.09Å; I74-F86 PolarHBondContact N-O 3.43Å; I74-F86 PolarHBondContact O-N 3.01Å; I74-A88 HydrophobicContact CD1-CB 3.53Å; I74-A88 HydrophobicContact CG1-CB 4.42Å |
| 75 | P | 95 | Very high | 92.9 | Very high | 104 Ų | 104 | 84.2 Ų | 84.2 | 68% | 0.675 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 148 | 175.5 | 28.1 | -33.4 | 0 | 0 | 0 | 110.8 | ||
| 76 | R | 93.3 | Very high | 92.9 | Very high | 66 Ų | 66 | 85.5 Ų | 85.5 | 25% | 0.249 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 150.6 | 174.5 | -67.8 | -173 | 177.9 | -93.2 | 0.6 | 110.1 | G82 K83 G84 F86 | R76-G82 WeakPolarHBondContact CD-O 3.47Å; R76-K83 PolarHBondContact NE-O 3.35Å; R76-K83 PolarHBondContact NH2-O 3.38Å; R76-G84 VanDerWaalsContact CD-O 3.27Å; R76-G84 WeakPolarHBondContact CD-O 3.1Å; R76-G84 PolarHBondContact NE-O 3.46Å; R76-F86 HydrophobicContact CG-CD2 3.94Å; R76-F86 HydrophobicContact CG-CE2 3.82Å |
| 77 | R | 90.9 | Very high | 93 | Very high | 188 Ų | 188 | 82.2 Ų | 82.2 | 71% | 0.709 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 143.8 | 169.1 | -64.5 | -173.7 | -174.9 | 176.1 | 2.8 | 109.4 | E79 Q80 | R77-E79 PolarHBondContact O-N 3.1Å; R77-Q80 PolarHBondContact O-N 2.97Å |
| 78 | P | 89.4 | Confident | 93.1 | Very high | 115 Ų | 115 | 76.8 Ų | 76.8 | 75% | 0.747 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31.4 | 178.1 | 22.9 | -32.4 | 0 | 0 | 0 | 112.3 | Q80 | P78-Q80 PolarHBondContact O-N 3.2Š|
| 79 | E | 90.8 | Very high | 93.2 | Very high | 161 Ų | 161 | 77.4 Ų | 77.4 | 75% | 0.752 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -13.8 | 178.6 | -48.2 | -48.2 | 149.9 | 0 | 0 | 114.7 | R77 P81 | R77-E79 PolarHBondContact O-N 3.1Å; E79-P81 VanDerWaalsContact C-CD 3.49Å; E79-P81 WeakPolarHBondContact O-CD 3.5Å |
| 80 | Q | 85.9 | Confident | 93.3 | Very high | 113 Ų | 113 | 75.3 Ų | 75.3 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -122.9 | 77.1 | 179.2 | -67.4 | -176.4 | 31.4 | 0 | 0 | 109.8 | R77 P78 G82 | R77-Q80 PolarHBondContact O-N 2.97Å; P78-Q80 PolarHBondContact O-N 3.2Å; Q80-G82 PolarHBondContact O-N 3.06Å |
| 81 | P | 84 | Confident | 93.2 | Very high | 125 Ų | 125 | 79.5 Ų | 79.5 | 81% | 0.812 | 43% | 0.425 | S | S | * | . | trans | -62.2 | 125.2 | 176.1 | 25.9 | -33 | 0 | 0 | 0 | 109.4 | E79 | E79-P81 VanDerWaalsContact C-CD 3.49Å; E79-P81 WeakPolarHBondContact O-CD 3.5Å | ||
| 82 | G | 90 | Very high | 92.7 | Very high | 45 Ų | 45 | 83.6 Ų | 83.6 | 46% | 0.464 | 45% | 0.447 | S | S | . | . | trans | -162.5 | 160.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R76 Q80 G84 | R76-G82 WeakPolarHBondContact CD-O 3.47Å; Q80-G82 PolarHBondContact O-N 3.06Å; G82-G84 PolarHBondContact O-N 3.31Å | ||
| 83 | K | 91.9 | Very high | 92.1 | Very high | 199 Ų | 199 | 80.6 Ų | 80.6 | 87% | 0.865 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -70.8 | 130.4 | -179 | -171.8 | 172.3 | -177.1 | 172.5 | 0 | 111 | R76 | R76-K83 PolarHBondContact NE-O 3.35Å; R76-K83 PolarHBondContact NH2-O 3.38Å |
| 84 | G | 93.8 | Very high | 91 | Very high | 52 Ų | 52 | 74.9 Ų | 74.9 | 54% | 0.536 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 68.1 | -169 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | R76 G82 | R76-G84 VanDerWaalsContact CD-O 3.27Å; R76-G84 WeakPolarHBondContact CD-O 3.1Å; R76-G84 PolarHBondContact NE-O 3.46Å; G82-G84 PolarHBondContact O-N 3.31Å |
| 85 | S | 96.3 | Very high | 90.1 | Very high | 24 Ų | 24 | 78.5 Ų | 78.5 | 17% | 0.168 | 43% | 0.432 | C | S | . | . | trans | -107.4 | 163.6 | 179.8 | -58.7 | 0 | 0 | 0 | 0 | 111 | K73 I74 | K73-S85 WeakPolarHBondContact CE-OG 3.34Å; I74-S85 WeakPolarHBondContact O-CB 3.09Å | ||
| 86 | F | 97.2 | Very high | 89.1 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 13% | 0.132 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 151 | 167 | -69.4 | -78.7 | 0 | 0 | 0 | 110 | M33 P35 I74 R76 | M33-F86 HydrophobicContact CB-CB 4.4Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.18Å; M33-F86 HydrophobicContact CG-CG 4.4Å; M33-F86 HydrophobicContact SD-CB 4.1Å; M33-F86 HydrophobicContact SD-CD1 4.43Å; M33-F86 HydrophobicContact SD-CG 4.13Å; P35-F86 HydrophobicContact CB-CD1 4.47Å; P35-F86 HydrophobicContact CG-CE1 4.49Å; I74-F86 HydrophobicContact CB-CB 4.09Å; I74-F86 PolarHBondContact N-O 3.43Å; I74-F86 PolarHBondContact O-N 3.01Å; R76-F86 HydrophobicContact CG-CD2 3.94Å; R76-F86 HydrophobicContact CG-CE2 3.82Å |
| 87 | W | 97.9 | Very high | 88.2 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 11% | 0.114 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.2 | 172.5 | -68.5 | 93.5 | 0 | 0 | 0 | 108.8 | M33 L34 I39 L65 F71 I72 K73 | M33-W87 VanDerWaalsContact CA-O 3.28Å; M33-W87 WeakPolarHBondContact CA-O 3.3Å; L34-W87 PolarHBondContact N-O 3.11Å; L34-W87 PolarHBondContact O-N 3.03Å; I39-W87 HydrophobicContact CD1-CB 4.17Å; L65-W87 HydrophobicContact CB-CD2 4.15Å; L65-W87 HydrophobicContact CB-CE3 4.06Å; L65-W87 HydrophobicContact CB-CH2 3.73Å; L65-W87 HydrophobicContact CB-CZ2 3.86Å; L65-W87 HydrophobicContact CB-CZ3 3.85Å; L65-W87 HydrophobicContact CD1-CD2 4.17Å; L65-W87 HydrophobicContact CD1-CG 4.29Å; L65-W87 HydrophobicContact CD1-CZ2 4.39Å; L65-W87 HydrophobicContact CD2-CB 4.28Å; L65-W87 HydrophobicContact CD2-CD2 3.87Å; L65-W87 HydrophobicContact CD2-CE3 3.96Å; L65-W87 HydrophobicContact CD2-CG 4.02Å; L65-W87 HydrophobicContact CG-CD2 4.3Å; L65-W87 VanDerWaalsContact O-CZ3 3.23Å; L65-W87 WeakPolarHBondContact O-CZ3 3.25Å; F71-W87 HydrophobicContact CB-CE3 3.95Å; F71-W87 HydrophobicContact CB-CZ3 4.24Å; I72-W87 WeakPolarHBondContact O-CA 2.98Å; K73-W87 HydrophobicContact CB-CE3 4.26Å; K73-W87 HydrophobicContact CB-CH2 4.07Å; K73-W87 HydrophobicContact CB-CZ2 4.46Å; K73-W87 HydrophobicContact CB-CZ3 3.96Å; K73-W87 HydrophobicContact CG-CZ2 4.45Å |
| 88 | A | 96.7 | Very high | 87.2 | Confident | 8 Ų | 8 | 71.4 Ų | 71.4 | 7% | 0.066 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 164.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | M33 F71 I72 I74 | M33-A88 HydrophobicContact CB-CB 3.96Å; F71-A88 WeakPolarHBondContact CA-O 3.23Å; I72-A88 HydrophobicContact CD1-CB 4.23Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 3.47Å; I72-A88 PolarHBondContact O-N 3.04Å; I74-A88 HydrophobicContact CD1-CB 3.53Å; I74-A88 HydrophobicContact CG1-CB 4.42Å |
| 89 | L | 94.9 | Very high | 86.2 | Confident | 29 Ų | 29 | 73.2 Ų | 73.2 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 139.8 | 169.5 | -71.6 | 170.8 | 0 | 0 | 0 | 109.7 | A23 I26 Q27 C70 F71 F97 | A23-L89 HydrophobicContact CB-CD1 4.26Å; A23-L89 HydrophobicContact CB-CD2 4.05Å; I26-L89 HydrophobicContact CB-CG 4.41Å; I26-L89 HydrophobicContact CD1-CG 4.32Å; I26-L89 HydrophobicContact CG2-CD1 4.34Å; I26-L89 HydrophobicContact CG2-CG 4.09Å; Q27-L89 HydrophobicContact CG-CD1 3.92Å; C70-L89 CarbonylContact O-C 3.56Å; C70-L89 WeakPolarHBondContact O-CA 3.43Å; F71-L89 HydrophobicContact CD1-CD2 3.92Å; F71-L89 HydrophobicContact CE1-CD2 3.53Å; L89-F97 HydrophobicContact CD2-CE2 4.32Å |
| 90 | H | 93.4 | Very high | 85 | Confident | 29 Ų | 29 | 68 Ų | 68 | 13% | 0.134 | 39% | 0.394 | C | S | . | . | trans | -62.8 | 137.4 | 168.4 | -166 | -77.4 | 0 | 0 | 0 | 109.4 | C70 I72 D92 C93 G94 | C70-H90 PolarHBondContact O-N 2.9Å; I72-H90 HydrophobicContact CG2-CB 4.27Å; H90-D92 VanDerWaalsContact C-N 3.31Å; H90-D92 VanDerWaalsContact CE1-CG 3.42Å; H90-D92 IonicContact CE1-OD1 3.81Å; H90-D92 IonicContact CE1-OD2 3.19Å; H90-D92 PolarHBondContact CE1-OD2 2.82Å; H90-D92 WeakPolarHBondContact ND1-CB 3.5Å; H90-D92 PolarHBondContact ND1-N 3.32Å; H90-D92 VanDerWaalsContact ND1-N 3.19Å; H90-D92 IonicContact ND1-OD1 3.93Å; H90-D92 IonicContact ND1-OD2 3.65Å; H90-D92 PolarHBondContact O-N 3.28Å; H90-C93 HydrophobicContact CB-CB 4.35Å; H90-C93 PolarHBondContact O-N 3.49Å; H90-C93 PolarHBondContact O-SG 3.44Å; H90-G94 PolarHBondContact O-N 3.02Å | ||
| 91 | P | 90.1 | Very high | 84.5 | Confident | 93 Ų | 93 | 65.7 Ų | 65.7 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -52.7 | -47.7 | 179.9 | 17.9 | -31.1 | 0 | 0 | 0 | 112.3 | C93 G94 | P91-C93 PolarHBondContact O-N 3.27Å; P91-G94 PolarHBondContact O-N 3.44Å |
| 92 | D | 86.1 | Confident | 84 | Confident | 96 Ų | 96 | 61.5 Ų | 61.5 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.8 | -10.5 | 178.5 | -51.2 | -6.9 | 0 | 0 | 0 | 115.4 | H90 F109 | H90-D92 VanDerWaalsContact C-N 3.31Å; H90-D92 VanDerWaalsContact CE1-CG 3.42Å; H90-D92 IonicContact CE1-OD1 3.81Å; H90-D92 IonicContact CE1-OD2 3.19Å; H90-D92 PolarHBondContact CE1-OD2 2.82Å; H90-D92 WeakPolarHBondContact ND1-CB 3.5Å; H90-D92 PolarHBondContact ND1-N 3.32Å; H90-D92 VanDerWaalsContact ND1-N 3.19Å; H90-D92 IonicContact ND1-OD1 3.93Å; H90-D92 IonicContact ND1-OD2 3.65Å; H90-D92 PolarHBondContact O-N 3.28Å; D92-F109 HydrophobicContact CB-CE2 3.88Å; D92-F109 HydrophobicContact CB-CZ 4Å |
| 93 | C | 83.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -102.3 | -8.8 | 177.1 | 89.1 | 0 | 0 | 0 | 0 | 113.3 | C70 H90 P91 M96 F97 F109 | C70-C93 HydrophobicContact CB-CB 4.27Å; C70-C93 PolarHBondContact O-SG 3.03Å; C70-C93 VanDerWaalsContact O-SG 3.33Å; H90-C93 HydrophobicContact CB-CB 4.35Å; H90-C93 PolarHBondContact O-N 3.49Å; H90-C93 PolarHBondContact O-SG 3.44Å; P91-C93 PolarHBondContact O-N 3.27Å; C93-M96 WeakPolarHBondContact O-CB 3.41Å; C93-M96 WeakPolarHBondContact O-CG 3.19Å; C93-M96 PolarHBondContact O-N 3.26Å; C93-F97 VanDerWaalsContact O-CD2 3.23Å; C93-F97 WeakPolarHBondContact O-CD2 3.45Å; C93-F97 WeakPolarHBondContact O-CE2 3.49Å; C93-F109 HydrophobicContact CB-CD1 4.26Å; C93-F109 HydrophobicContact CB-CD2 4.3Å; C93-F109 HydrophobicContact CB-CE1 4.21Å; C93-F109 HydrophobicContact CB-CE2 4.22Å; C93-F109 HydrophobicContact CB-CG 4.3Å; C93-F109 HydrophobicContact CB-CZ 4.18Å |
| 94 | G | 73.6 | Confident | 81.5 | Confident | 19 Ų | 19 | 66 Ų | 66 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.8 | -49.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H90 P91 M96 F97 E98 | H90-G94 PolarHBondContact O-N 3.02Å; P91-G94 PolarHBondContact O-N 3.44Å; G94-M96 PolarHBondContact O-N 3.28Å; G94-F97 PolarHBondContact O-N 3.13Å; G94-E98 PolarHBondContact O-N 3.32Å |
| 95 | D | 77.4 | Confident | 80 | Confident | 122 Ų | 122 | 67.5 Ų | 67.5 | 65% | 0.652 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.4 | -24.1 | -179.8 | -57.6 | -1.2 | 0 | 0 | 0 | 113 | F97 | D95-F97 PolarHBondContact O-N 3.2Å |
| 96 | M | 74.8 | Confident | 78.3 | Confident | 61 Ų | 61 | 79 Ų | 79 | 30% | 0.3 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -73.3 | -10 | -178.9 | -51.3 | -168.7 | 172.3 | 0 | 0 | 114.2 | C93 G94 R105 F109 | C93-M96 WeakPolarHBondContact O-CB 3.41Å; C93-M96 WeakPolarHBondContact O-CG 3.19Å; C93-M96 PolarHBondContact O-N 3.26Å; G94-M96 PolarHBondContact O-N 3.28Å; M96-R105 PolarHBondContact O-NH2 3.48Å; M96-R105 VanDerWaalsContact SD-CZ 3.53Å; M96-F109 HydrophobicContact CE-CB 3.88Å; M96-F109 HydrophobicContact CE-CD2 3.43Å; M96-F109 VanDerWaalsContact CE-CD2 3.43Å; M96-F109 HydrophobicContact CE-CE2 4.36Å; M96-F109 HydrophobicContact CE-CG 4.05Å; M96-F109 HydrophobicContact SD-CB 4Å; M96-F109 HydrophobicContact SD-CD2 4.37Å |
| 97 | F | 74 | Confident | 76.7 | Confident | 2 Ų | 2 | 86 Ų | 86 | 1% | 0.009 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -125.2 | -15.6 | -174.5 | -59.3 | -75.2 | 0 | 0 | 0 | 113 | I19 A23 Q27 L89 C93 G94 D95 N99 G100 F102 | I19-F97 HydrophobicContact CG2-CE1 4.34Å; I19-F97 HydrophobicContact CG2-CZ 3.8Å; A23-F97 HydrophobicContact CB-CD1 3.82Å; A23-F97 HydrophobicContact CB-CD2 4.13Å; A23-F97 HydrophobicContact CB-CE1 3.8Å; A23-F97 HydrophobicContact CB-CE2 4.13Å; A23-F97 HydrophobicContact CB-CG 3.98Å; A23-F97 HydrophobicContact CB-CZ 3.96Å; Q27-F97 VanDerWaalsContact NE2-CB 3.32Å; L89-F97 HydrophobicContact CD2-CE2 4.32Å; C93-F97 VanDerWaalsContact O-CD2 3.23Å; C93-F97 WeakPolarHBondContact O-CD2 3.45Å; C93-F97 WeakPolarHBondContact O-CE2 3.49Å; G94-F97 PolarHBondContact O-N 3.13Å; D95-F97 PolarHBondContact O-N 3.2Å; F97-N99 PolarHBondContact O-N 2.85Å; F97-G100 PolarHBondContact O-N 2.85Å; F97-F102 HydrophobicContact CB-CD1 4.45Å; F97-F102 HydrophobicContact CB-CE1 3.83Å; F97-F102 HydrophobicContact CB-CZ 4.38Å; F97-F102 AromaticContact CD1-CD1 3.92Å; F97-F102 HydrophobicContact CD1-CD1 3.92Å; F97-F102 HydrophobicContact CD1-CE1 4.06Å; F97-F102 HydrophobicContact CG-CE1 4.35Å; F97-F102 WeakPolarHBondContact O-CZ 3.38Å |
| 98 | E | 69.8 | Low | 75.5 | Confident | 147 Ų | 147 | 92.7 Ų | 92.7 | 69% | 0.687 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.4 | -34.7 | -172.9 | -163 | 165.9 | -169.7 | 0 | 0 | 113.3 | G94 G100 | G94-E98 PolarHBondContact O-N 3.32Å; E98-G100 PolarHBondContact O-N 2.88Å; E98-G100 VanDerWaalsContact O-N 3.13Å |
| 99 | N | 68.9 | Low | 74.5 | Confident | 153 Ų | 153 | 93.8 Ų | 93.8 | 82% | 0.818 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 22.6 | 179 | -61.1 | -36 | 0 | 0 | 0 | 114.1 | F97 S101 | F97-N99 PolarHBondContact O-N 2.85Å; N99-S101 PolarHBondContact O-N 2.98Å |
| 100 | G | 65.9 | Low | 73.6 | Confident | 51 Ų | 51 | 99.7 Ų | 99.7 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | S | Bend | trans | 73.5 | 6.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F97 E98 F102 | F97-G100 PolarHBondContact O-N 2.85Å; E98-G100 PolarHBondContact O-N 2.88Å; E98-G100 VanDerWaalsContact O-N 3.13Å; G100-F102 PolarHBondContact O-N 3.24Å |
| 101 | S | 74.1 | Confident | 72.9 | Confident | 64 Ų | 64 | 102 Ų | 102 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | trans | -77.9 | 64.5 | 177.5 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | N99 L103 | N99-S101 PolarHBondContact O-N 2.98Å; S101-L103 VanDerWaalsContact C-N 3.31Å | ||
| 102 | F | 73.9 | Confident | 72.1 | Confident | 37 Ų | 37 | 103.4 Ų | 103.4 | 16% | 0.162 | 49% | 0.492 | C | S | . | . | trans | -82.8 | -11.2 | 172 | -62 | -74.5 | 0 | 0 | 0 | 113.2 | Y16 S20 M24 F97 G100 | Y16-F102 HydrophobicContact CD1-CB 3.99Å; Y16-F102 HydrophobicContact CE1-CB 3.9Å; S20-F102 VanDerWaalsContact CB-O 3.24Å; S20-F102 WeakPolarHBondContact CB-O 3.18Å; S20-F102 PolarHBondContact OG-O 3.2Å; M24-F102 HydrophobicContact CG-CD1 3.55Å; M24-F102 HydrophobicContact CG-CD2 4.4Å; M24-F102 HydrophobicContact CG-CE1 3.53Å; M24-F102 HydrophobicContact CG-CE2 4.38Å; M24-F102 HydrophobicContact CG-CG 4.01Å; M24-F102 HydrophobicContact CG-CZ 3.98Å; M24-F102 HydrophobicContact SD-CD1 4.32Å; M24-F102 HydrophobicContact SD-CD2 4.48Å; M24-F102 HydrophobicContact SD-CG 4.21Å; F97-F102 HydrophobicContact CB-CD1 4.45Å; F97-F102 HydrophobicContact CB-CE1 3.83Å; F97-F102 HydrophobicContact CB-CZ 4.38Å; F97-F102 AromaticContact CD1-CD1 3.92Å; F97-F102 HydrophobicContact CD1-CD1 3.92Å; F97-F102 HydrophobicContact CD1-CE1 4.06Å; F97-F102 HydrophobicContact CG-CE1 4.35Å; F97-F102 WeakPolarHBondContact O-CZ 3.38Å; G100-F102 PolarHBondContact O-N 3.24Å | ||
| 103 | L | 72 | Confident | 71.2 | Confident | 103 Ų | 103 | 106.3 Ų | 106.3 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -75.2 | 154.6 | 177.5 | -61.3 | 177.4 | 0 | 0 | 0 | 111.2 | P15 Y16 S101 R105 | P15-L103 HydrophobicContact CB-CD2 4.37Å; P15-L103 HydrophobicContact CG-CD2 4.3Å; Y16-L103 HydrophobicContact CD1-CD2 4.27Å; Y16-L103 HydrophobicContact CE1-CD2 3.9Å; S101-L103 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 2.89Å |
| 104 | R | 57.5 | Low | 70.1 | Confident | 237 Ų | 237 | 110 Ų | 110 | 89% | 0.894 | 53% | 0.526 | S | S | * | . | trans | -43.2 | 117 | -168.7 | -178.4 | 174.7 | 159.8 | -132.3 | -1.3 | 113.7 | ||||
| 105 | R | 62.9 | Low | 69.2 | Low | 83 Ų | 83 | 114.7 Ų | 114.7 | 31% | 0.313 | 54% | 0.543 | S | S | . | . | trans | -74.4 | 143.2 | 179.2 | -163.9 | 176.8 | -69.8 | 128.7 | 4.9 | 112.4 | M96 L103 K107 | M96-R105 PolarHBondContact O-NH2 3.48Å; M96-R105 VanDerWaalsContact SD-CZ 3.53Å; L103-R105 PolarHBondContact O-N 2.89Å; R105-K107 WeakPolarHBondContact CD-O 3.08Å; R105-K107 VanDerWaalsContact CG-O 3.25Å; R105-K107 WeakPolarHBondContact CG-O 3.35Å | ||
| 106 | R | 59.7 | Low | 68 | Low | 264 Ų | 264 | 114.5 Ų | 114.5 | 100% | 0.996 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -81.7 | -12 | 176.3 | -63.6 | -173.3 | -164.9 | 141.2 | 2.8 | 114.6 | ||
| 107 | K | 63.9 | Low | 66.9 | Low | 179 Ų | 179 | 118.1 Ų | 118.1 | 78% | 0.778 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -142.8 | 133 | 179.8 | -166.8 | 174.4 | -179.1 | -178.5 | 0 | 111.8 | R105 | R105-K107 WeakPolarHBondContact CD-O 3.08Å; R105-K107 VanDerWaalsContact CG-O 3.25Å; R105-K107 WeakPolarHBondContact CG-O 3.35Å |
| 108 | R | 71.6 | Confident | 66 | Low | 170 Ų | 170 | 121.5 Ų | 121.5 | 64% | 0.642 | 58% | 0.584 | S | S | * | * | trans | -74.9 | 135.1 | 179.1 | -73.2 | -177.8 | 177.2 | -107 | 5.6 | 110.8 | ||||
| 109 | F | 75.8 | Confident | 65.2 | Low | 31 Ų | 31 | 118.4 Ų | 118.4 | 14% | 0.136 | 58% | 0.579 | C | S | . | * | trans | -64 | 136.8 | 165.1 | 176.3 | -105.7 | 0 | 0 | 0 | 108.6 | D69 C70 D92 C93 M96 | D69-F109 HydrophobicContact CB-CD1 3.97Å; D69-F109 HydrophobicContact CB-CE1 3.73Å; C70-F109 HydrophobicContact CB-CD1 4.42Å; C70-F109 VanDerWaalsContact SG-CD1 3.54Å; D92-F109 HydrophobicContact CB-CE2 3.88Å; D92-F109 HydrophobicContact CB-CZ 4Å; C93-F109 HydrophobicContact CB-CD1 4.26Å; C93-F109 HydrophobicContact CB-CD2 4.3Å; C93-F109 HydrophobicContact CB-CE1 4.21Å; C93-F109 HydrophobicContact CB-CE2 4.22Å; C93-F109 HydrophobicContact CB-CG 4.3Å; C93-F109 HydrophobicContact CB-CZ 4.18Å; M96-F109 HydrophobicContact CE-CB 3.88Å; M96-F109 HydrophobicContact CE-CD2 3.43Å; M96-F109 VanDerWaalsContact CE-CD2 3.43Å; M96-F109 HydrophobicContact CE-CE2 4.36Å; M96-F109 HydrophobicContact CE-CG 4.05Å; M96-F109 HydrophobicContact SD-CB 4Å; M96-F109 HydrophobicContact SD-CD2 4.37Å | ||
| 110 | K | 76.9 | Confident | 64.2 | Low | 153 Ų | 153 | 118.9 Ų | 118.9 | 67% | 0.665 | 57% | 0.574 | S | S | * | * | trans | -140.6 | 124.7 | 171.2 | -67.7 | -169.5 | 176 | -173.3 | 0 | 105.8 | L112 | K110-L112 PolarHBondContact O-N 3.2Š| ||
| 111 | L | 78.2 | Confident | 63.3 | Low | 78 Ų | 78 | 121.5 Ų | 121.5 | 41% | 0.408 | 58% | 0.583 | S | S | . | * | trans | -66.3 | 122.2 | 170.8 | -175 | 63.5 | 0 | 0 | 0 | 106.9 | D69 R113 | D69-L111 HydrophobicContact CB-CB 4.01Å; D69-L111 PolarHBondContact OD2-N 2.88Å; L111-R113 PolarHBondContact O-N 3.11Å | ||
| 112 | L | 74.1 | Confident | 62.2 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | trans | -71.3 | 89.7 | 173.2 | -65.6 | 179.4 | 0 | 0 | 0 | 107.3 | K110 A114 | K110-L112 PolarHBondContact O-N 3.2Å; L112-A114 PolarHBondContact O-N 3.24Å | ||
| 113 | R | 67.3 | Low | 61.2 | Low | 156 Ų | 156 | 126.5 Ų | 126.5 | 59% | 0.589 | 62% | 0.62 | S | S | * | * | trans | -51.9 | 129.9 | 169.3 | -179.3 | 172.9 | 150.2 | 121 | -8.5 | 107.7 | L111 E115 H116 | L111-R113 PolarHBondContact O-N 3.11Å; R113-E115 HydrophobicContact CG-CB 4.35Å; R113-E115 HydrophobicContact CG-CG 4.31Å; R113-E115 IonicContact CZ-OE1 3.58Å; R113-E115 IonicContact CZ-OE2 3.21Å; R113-E115 VanDerWaalsContact NE-CD 3.35Å; R113-E115 IonicContact NE-OE1 3.79Å; R113-E115 IonicContact NE-OE2 2.94Å; R113-E115 PolarHBondContact NE-OE2 3.33Å; R113-E115 IonicContact NH2-OE1 2.92Å; R113-E115 PolarHBondContact NH2-OE1 3.01Å; R113-E115 IonicContact NH2-OE2 2.69Å; R113-E115 PolarHBondContact NH2-OE2 3.46Å; R113-E115 PolarHBondContact O-N 2.77Å; R113-H116 PolarHBondContact O-N 2.99Å | ||
| 114 | A | 60.4 | Low | 60.2 | Low | 79 Ų | 79 | 128.6 Ų | 128.6 | 65% | 0.653 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | -25.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | L112 H116 M117 A118 | L112-A114 PolarHBondContact O-N 3.24Å; A114-H116 VanDerWaalsContact C-N 3.26Å; A114-H116 PolarHBondContact O-N 3.39Å; A114-M117 PolarHBondContact O-N 3.08Å; A114-M117 VanDerWaalsContact O-N 3.08Å; A114-A118 PolarHBondContact O-N 3.3Å |
| 115 | E | 54.8 | Low | 59.9 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 55% | 0.547 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.5 | -23.6 | 175.4 | -59.8 | -170.2 | 174.7 | 0 | 0 | 114.8 | R113 M117 S119 | R113-E115 HydrophobicContact CG-CB 4.35Å; R113-E115 HydrophobicContact CG-CG 4.31Å; R113-E115 IonicContact CZ-OE1 3.58Å; R113-E115 IonicContact CZ-OE2 3.21Å; R113-E115 VanDerWaalsContact NE-CD 3.35Å; R113-E115 IonicContact NE-OE1 3.79Å; R113-E115 IonicContact NE-OE2 2.94Å; R113-E115 PolarHBondContact NE-OE2 3.33Å; R113-E115 IonicContact NH2-OE1 2.92Å; R113-E115 PolarHBondContact NH2-OE1 3.01Å; R113-E115 IonicContact NH2-OE2 2.69Å; R113-E115 PolarHBondContact NH2-OE2 3.46Å; R113-E115 PolarHBondContact O-N 2.77Å; E115-M117 VanDerWaalsContact C-N 3.3Å; E115-S119 PolarHBondContact O-OG 3.19Å |
| 116 | H | 52.2 | Low | 59.3 | Low | 118 Ų | 118 | 128.9 Ų | 128.9 | 55% | 0.546 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -79.1 | -12.5 | 173.7 | -99.2 | 95.6 | 0 | 0 | 0 | 113.6 | R113 A114 S119 | R113-H116 PolarHBondContact O-N 2.99Å; A114-H116 VanDerWaalsContact C-N 3.26Å; A114-H116 PolarHBondContact O-N 3.39Å; H116-S119 WeakPolarHBondContact CA-OG 3.41Å |
| 117 | M | 51.4 | Low | 58.7 | Low | 136 Ų | 136 | 126.3 Ų | 126.3 | 67% | 0.67 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -87.2 | -33.4 | 173.4 | -48.3 | -157.1 | 92.1 | 0 | 0 | 110.7 | A114 E115 S119 | A114-M117 PolarHBondContact O-N 3.08Å; A114-M117 VanDerWaalsContact O-N 3.08Å; E115-M117 VanDerWaalsContact C-N 3.3Å; M117-S119 VanDerWaalsContact C-N 3.28Å; M117-S119 PolarHBondContact O-N 2.92Å |
| 118 | A | 53.9 | Low | 57.9 | Low | 74 Ų | 74 | 125.9 Ų | 125.9 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.8 | -23.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A114 | A114-A118 PolarHBondContact O-N 3.3Å |
| 119 | S | 52.9 | Low | 56.7 | Low | 82 Ų | 82 | 126.2 Ų | 126.2 | 57% | 0.573 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -1.1 | -176.3 | 38.7 | 0 | 0 | 0 | 0 | 114.8 | E115 H116 M117 | E115-S119 PolarHBondContact O-OG 3.19Å; H116-S119 WeakPolarHBondContact CA-OG 3.41Å; M117-S119 VanDerWaalsContact C-N 3.28Å; M117-S119 PolarHBondContact O-N 2.92Å |
| 120 | K | 49.7 | Very low | 55.4 | Low | 163 Ų | 163 | 133.6 Ų | 133.6 | 71% | 0.709 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -105.2 | 4.4 | 179.4 | -72.7 | -176.2 | 179.3 | 178.9 | 0 | 114.8 | S122 | K120-S122 VanDerWaalsContact C-N 3.3Å; K120-S122 PolarHBondContact O-N 2.96Å |
| 121 | S | 45.7 | Very low | 54.1 | Low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -85.6 | 22.5 | 178.2 | 70.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 122 | S | 52.4 | Low | 52.5 | Low | 83 Ų | 83 | 135.3 Ų | 135.3 | 58% | 0.58 | 71% | 0.707 | S | S | * | * | trans | -153.1 | 100.6 | 166.2 | -161.4 | 0 | 0 | 0 | 0 | 113.8 | K120 | K120-S122 VanDerWaalsContact C-N 3.3Å; K120-S122 PolarHBondContact O-N 2.96Å | ||
| 123 | P | 51.3 | Low | 50.8 | Low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -124.9 | 25.9 | 139.3 | 36.4 | -26.5 | 0 | 0 | 0 | 111.9 | ||
| 124 | M | 51.9 | Low | 49.6 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 73% | 0.729 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -123 | 32.9 | -178.3 | -156.6 | 78.6 | -178.1 | 0 | 0 | 112.4 | ||
| 125 | M | 50.2 | Low | 48.3 | Very low | 147 Ų | 147 | 143 Ų | 143 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -130.3 | 19.8 | 173.6 | -88.6 | -65.6 | -78.8 | 0 | 0 | 113.1 | ||
| 126 | H | 52 | Low | 47.2 | Very low | 178 Ų | 178 | 141 Ų | 141 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -116.8 | 6.9 | 174.4 | -148.5 | -78.5 | 0 | 0 | 0 | 113.9 | ||
| 127 | Y | 46 | Very low | 46.2 | Very low | 210 Ų | 210 | 138.5 Ų | 138.5 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -102.4 | -8.8 | 178.3 | -136.5 | -89.4 | 0 | 0 | 0 | 114.2 | ||
| 128 | F | 47.7 | Very low | 45.5 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 75% | 0.746 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -104.9 | 2.2 | -176 | -85 | -78.1 | 0 | 0 | 0 | 115.2 | ||
| 129 | H | 46.2 | Very low | 44.7 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -95.3 | 8.9 | -176.6 | -145.6 | 77.3 | 0 | 0 | 0 | 115.3 | ||
| 130 | H | 49.1 | Very low | 43.6 | Very low | 187 Ų | 187 | 149.7 Ų | 149.7 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -107.7 | 13.2 | -176.8 | -111.8 | -67.6 | 0 | 0 | 0 | 115.9 | ||
| 131 | Q | 48.4 | Very low | 43 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -128.7 | 99.1 | 175.5 | -63.8 | -166 | 37.6 | 0 | 0 | 110.8 | ||||
| 132 | G | 44 | Very low | 42.5 | Very low | 74 Ų | 74 | 152.5 Ų | 152.5 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 162 | 59.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 133 | K | 39.6 | Very low | 41.7 | Very low | 208 Ų | 208 | 151.7 Ų | 151.7 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -164.6 | 99.5 | 146.3 | -117.7 | 166.6 | 179.7 | 177 | 0 | 112.1 | ||||
| 134 | L | 41.1 | Very low | 41.8 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -98 | 124.7 | 153.1 | -72.6 | 169.3 | 0 | 0 | 0 | 107.2 | ||||
| 135 | S | 34.5 | Very low | 41 | Very low | 134 Ų | 134 | 150 Ų | 150 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | trans | 177.2 | 127.7 | 136.2 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 136 | G | 31 | Very low | 40.3 | Very low | 77 Ų | 77 | 147.7 Ų | 147.7 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 129.2 | 80.1 | 154 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 137 | G | 32 | Very low | 39.6 | Very low | 64 Ų | 64 | 143.1 Ų | 143.1 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | 99.1 | 116.5 | 127 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 138 | H | 36.6 | Very low | 39.2 | Very low | 183 Ų | 183 | 140 Ų | 140 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | 55.9 | 107.6 | 138.7 | -55.5 | -94.7 | 0 | 0 | 0 | 120.9 | ||||
| 139 | H | 36.6 | Very low | 38.7 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | -176.1 | 148.2 | 102.7 | -117.8 | -88.5 | 0 | 0 | 0 | 112.3 | |||||
| 140 | E | 30.4 | Very low | 38.1 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | trans | -81.6 | 140.3 | -171.9 | -170.5 | -170.6 | 144.8 | 0 | 0 | 113.2 | ||||
| 141 | H | 36.7 | Very low | 37.5 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | -175.5 | 143.4 | 123.8 | -121 | -13 | 0 | 0 | 0 | 115.2 | |||||
| 142 | Q | 34.7 | Very low | 37.4 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -21.7 | 140.2 | 168.4 | -103.7 | 74.7 | 22.5 | 0 | 0 | 116.9 | ||||
| 143 | G | 35.9 | Very low | 36.9 | Very low | 66 Ų | 66 | 138.8 Ų | 138.8 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | 135.6 | 165.2 | 57.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 144 | P | 53.9 | Low | 36.9 | Very low | 134 Ų | 134 | 138 Ų | 138 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | -113.4 | 167 | -126 | 40.1 | -33.6 | 0 | 0 | 0 | 115.8 | |||||
| 145 | A | 33.7 | Very low | 36.6 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | 177.9 | 149.6 | 128.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 146 | A | 36 | Very low | 36.8 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -67.3 | 161.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 147 | A | 36.7 | Very low | 36.9 | Very low | 82 Ų | 82 | 142.8 Ų | 142.8 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | 153.3 | 142.5 | 98.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 148 | V | 38.8 | Very low | 37.1 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | 60.3 | 125.1 | 146.6 | -65 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 149 | G | 36.8 | Very low | 36.9 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -85.6 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 150 | R | 33.6 | Very low | 36.9 | Very low | 257 Ų | 257 | 137.5 Ų | 137.5 | 97% | 0.97 | 79% | 0.786 | S | S | * | * | trans | -168.6 | 144.7 | 142.8 | -117.6 | -168.6 | -173.8 | -141 | 5 | 111.8 | ||||
| 151 | L | 36.9 | Very low | 37.1 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 161.3 | 173.8 | -146.6 | 60 | 0 | 0 | 0 | 111.5 | ||
| 152 | P | 45.9 | Very low | 36.7 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 144.6 | -163.8 | 31.5 | -21.7 | 0 | 0 | 0 | 112.9 | ||
| 153 | H | 33.1 | Very low | 36.6 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 125.5 | 173.5 | -171.9 | 74.6 | 0 | 0 | 0 | 109.6 | ||
| 154 | F | 40.7 | Very low | 36.9 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 126.5 | 172.3 | -166.7 | -91.3 | 0 | 0 | 0 | 108.9 | ||
| 155 | Q | 33.3 | Very low | 36.3 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -157.8 | 125 | 150.7 | -112 | 171 | 28.7 | 0 | 0 | 112.4 | ||||
| 156 | S | 39.6 | Very low | 36.9 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 60% | 0.601 | 81% | 0.806 | S | S | * | * | trans | -73.5 | 140.9 | 165.8 | 153.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 157 | Y | 32.8 | Very low | 37.2 | Very low | 235 Ų | 235 | 134.8 Ų | 134.8 | 92% | 0.922 | 80% | 0.801 | S | S | * | * | trans | -168.4 | 141.5 | 130.8 | -101.2 | -76.6 | 0 | 0 | 0 | 108.7 | ||||
| 158 | G | 36.3 | Very low | 38 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -80.7 | 172 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 159 | S | 32.4 | Very low | 39.1 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | 92 | 109 | 154.4 | -96.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 160 | I | 36.5 | Very low | 40.3 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | 99.2 | 127.6 | 131.3 | -58.3 | 159.4 | 0 | 0 | 0 | 117.9 | ||||
| 161 | N | 33.9 | Very low | 41.8 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 70.2 | 108 | 162.9 | -83.4 | 9.2 | 0 | 0 | 0 | 118.7 | ||||
| 162 | C | 29.6 | Very low | 42.9 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | 169.2 | 158.2 | 97.9 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 163 | G | 31.6 | Very low | 44.3 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | 85 | 106.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 164 | Q | 43.5 | Very low | 45.5 | Very low | 200 Ų | 200 | 129 Ų | 129 | 94% | 0.935 | 74% | 0.736 | S | S | * | * | trans | -56.2 | 141.3 | 168 | -58.7 | 175 | 11.9 | 0 | 0 | 112.4 | ||||
| 165 | S | 40.7 | Very low | 46.7 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 88% | 0.881 | 73% | 0.732 | S | S | * | * | -176.8 | 141.5 | 127.8 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 166 | G | 45.3 | Very low | 47.8 | Very low | 78 Ų | 78 | 122.3 Ų | 122.3 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | 95.7 | 55.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | F168 | G166-F168 PolarHBondContact O-N 2.69Š| ||
| 167 | G | 42.7 | Very low | 49 | Very low | 67 Ų | 67 | 123.2 Ų | 123.2 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | trans | -68.8 | 107.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | K169 | G167-K169 PolarHBondContact O-N 3.32Å; G167-K169 VanDerWaalsContact O-N 3.12Å | ||
| 168 | F | 53 | Low | 50.4 | Low | 191 Ų | 191 | 117.2 Ų | 117.2 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | trans | -72.3 | 95.7 | 157.2 | -154.7 | -92.4 | 0 | 0 | 0 | 108.1 | G166 H170 | G166-F168 PolarHBondContact O-N 2.69Å; F168-H170 PolarHBondContact O-N 2.94Å | ||
| 169 | K | 62.5 | Low | 51.1 | Low | 154 Ų | 154 | 114.9 Ų | 114.9 | 67% | 0.67 | 67% | 0.665 | S | S | * | * | trans | -84 | 102 | -175.2 | -71.2 | -171.8 | -178.7 | -167.8 | 0 | 109.9 | G167 | G167-K169 PolarHBondContact O-N 3.32Å; G167-K169 VanDerWaalsContact O-N 3.12Å | ||
| 170 | H | 61.8 | Low | 52.2 | Low | 120 Ų | 120 | 119.8 Ų | 119.8 | 56% | 0.556 | 67% | 0.666 | S | S | * | * | trans | -56.7 | 130.9 | 170.8 | -96.9 | -73.9 | 0 | 0 | 0 | 110 | F168 F172 A173 N176 | F168-H170 PolarHBondContact O-N 2.94Å; H170-F172 PolarHBondContact O-N 3.04Å; H170-A173 HydrophobicContact CB-CB 4.45Å; H170-A173 PolarHBondContact O-N 3.37Å; H170-A173 VanDerWaalsContact O-N 3.16Å; H170-N176 PolarHBondContact O-ND2 2.95Å | ||
| 171 | P | 66.3 | Low | 53 | Low | 93 Ų | 93 | 119.1 Ų | 119.1 | 60% | 0.604 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -4.6 | -177.6 | 24.3 | -32.2 | 0 | 0 | 0 | 113.7 | ||
| 172 | F | 59.1 | Low | 53.6 | Low | 165 Ų | 165 | 119.3 Ų | 119.3 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 8.1 | -178.9 | -42.2 | -65.7 | 0 | 0 | 0 | 113.6 | H170 | H170-F172 PolarHBondContact O-N 3.04Š|
| 173 | A | 74.9 | Confident | 54.4 | Low | 34 Ų | 34 | 121 Ų | 121 | 28% | 0.281 | 65% | 0.647 | S | S | . | * | trans | -67.9 | 134.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | H170 E175 N176 I177 | H170-A173 HydrophobicContact CB-CB 4.45Å; H170-A173 PolarHBondContact O-N 3.37Å; H170-A173 VanDerWaalsContact O-N 3.16Å; A173-E175 PolarHBondContact O-N 3.16Å; A173-E175 VanDerWaalsContact O-N 3.1Å; A173-N176 WeakPolarHBondContact O-CB 3.48Å; A173-N176 PolarHBondContact O-N 2.88Å; A173-I177 PolarHBondContact O-N 3.31Å | ||
| 174 | I | 58.6 | Low | 55 | Low | 124 Ų | 124 | 119.4 Ų | 119.4 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -54.3 | -34.5 | -176.9 | -68.3 | 167.7 | 0 | 0 | 0 | 111.2 | N176 I177 I178 | I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 3.12Å; I174-I177 PolarHBondContact O-N 3.27Å; I174-I178 HydrophobicContact CG2-CD1 3.42Å; I174-I178 VanDerWaalsContact CG2-CD1 3.42Å; I174-I178 HydrophobicContact CG2-CG1 4.1Å; I174-I178 WeakPolarHBondContact O-CG1 3.24Å; I174-I178 PolarHBondContact O-N 3.36Å |
| 175 | E | 66.6 | Low | 55.3 | Low | 164 Ų | 164 | 114.9 Ų | 114.9 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.3 | -31.3 | 176.9 | -56.5 | 176.1 | -150.1 | 0 | 0 | 113.5 | A173 G179 | A173-E175 PolarHBondContact O-N 3.16Å; A173-E175 VanDerWaalsContact O-N 3.1Å; E175-G179 VanDerWaalsContact O-CA 3.24Å; E175-G179 WeakPolarHBondContact O-CA 3.5Å; E175-G179 PolarHBondContact O-N 3.1Å |
| 176 | N | 57.2 | Low | 55.8 | Low | 52 Ų | 52 | 117.3 Ų | 117.3 | 28% | 0.278 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -84.1 | -22.1 | 176.6 | -72 | -32.9 | 0 | 0 | 0 | 112.8 | H170 A173 I174 | H170-N176 PolarHBondContact O-ND2 2.95Å; A173-N176 WeakPolarHBondContact O-CB 3.48Å; A173-N176 PolarHBondContact O-N 2.88Å; I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 3.12Å |
| 177 | I | 63.9 | Low | 56.1 | Low | 106 Ų | 106 | 119.2 Ų | 119.2 | 54% | 0.544 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -80.8 | -44.7 | 176.2 | -60.7 | 171.5 | 0 | 0 | 0 | 109.5 | A173 I174 | A173-I177 PolarHBondContact O-N 3.31Å; I174-I177 PolarHBondContact O-N 3.27Å |
| 178 | I | 61.4 | Low | 56.1 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 55% | 0.554 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77.6 | -28.4 | 177.9 | -57.5 | 176.1 | 0 | 0 | 0 | 110.8 | I174 R180 D181 | I174-I178 HydrophobicContact CG2-CD1 3.42Å; I174-I178 VanDerWaalsContact CG2-CD1 3.42Å; I174-I178 HydrophobicContact CG2-CG1 4.1Å; I174-I178 WeakPolarHBondContact O-CG1 3.24Å; I174-I178 PolarHBondContact O-N 3.36Å; I178-R180 PolarHBondContact O-N 2.93Å; I178-D181 PolarHBondContact O-N 3.4Å |
| 179 | G | 52.7 | Low | 56.1 | Low | 23 Ų | 23 | 114.4 Ų | 114.4 | 24% | 0.237 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -70.6 | -22.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | E175 D181 | E175-G179 VanDerWaalsContact O-CA 3.24Å; E175-G179 WeakPolarHBondContact O-CA 3.5Å; E175-G179 PolarHBondContact O-N 3.1Å; G179-D181 VanDerWaalsContact C-N 3.34Å |
| 180 | R | 55.4 | Low | 55.8 | Low | 212 Ų | 212 | 113.4 Ų | 113.4 | 80% | 0.8 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.7 | -29.5 | 178.3 | -88.4 | -173 | -177.7 | 128.4 | 0.3 | 112.8 | I178 | I178-R180 PolarHBondContact O-N 2.93Å |
| 181 | D | 52.7 | Low | 55.5 | Low | 130 Ų | 130 | 113.3 Ų | 113.3 | 70% | 0.695 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -98.8 | -13.5 | -167.6 | -57.4 | -41.5 | 0 | 0 | 0 | 113.6 | I178 G179 | I178-D181 PolarHBondContact O-N 3.4Å; G179-D181 VanDerWaalsContact C-N 3.34Å |
| 182 | Y | 46.6 | Very low | 54.8 | Low | 153 Ų | 153 | 115.1 Ų | 115.1 | 60% | 0.6 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -95.6 | -23.7 | 179 | 86.4 | -99.5 | 0 | 0 | 0 | 114.4 | ||
| 183 | K | 46.5 | Very low | 54.4 | Low | 165 Ų | 165 | 111.2 Ų | 111.2 | 72% | 0.717 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -94.3 | -2.7 | -176 | -128 | -166.9 | -176 | -157.8 | 0 | 114.9 | ||
| 184 | G | 43.9 | Very low | 53.2 | Low | 42 Ų | 42 | 114.2 Ų | 114.2 | 43% | 0.433 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -91.3 | -15.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | M186 | G184-M186 PolarHBondContact O-N 3.48Š|
| 185 | V | 50.1 | Low | 52.8 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -5.5 | -170.4 | 149.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 186 | M | 51.9 | Low | 52 | Low | 177 Ų | 177 | 111.6 Ų | 111.6 | 87% | 0.872 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 1 | -175.9 | -52.3 | -80.2 | -92.7 | 0 | 0 | 113.9 | G184 | G184-M186 PolarHBondContact O-N 3.48Š|
| 187 | T | 49.8 | Very low | 51.8 | Low | 117 Ų | 117 | 116.9 Ų | 116.9 | 72% | 0.718 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | 1.7 | -173.2 | -172.7 | 0 | 0 | 0 | 0 | 116 | ||
| 188 | S | 44.4 | Very low | 51.1 | Low | 86 Ų | 86 | 120.4 Ų | 120.4 | 60% | 0.601 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -164.8 | 114.3 | 163.8 | 51.8 | 0 | 0 | 0 | 0 | 107.1 | ||
| 189 | G | 52.1 | Low | 50.7 | Low | 72 Ų | 72 | 121.8 Ų | 121.8 | 74% | 0.742 | 67% | 0.665 | S | S | * | * | trans | -53.6 | 148.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 190 | L | 55.6 | Low | 50.5 | Low | 132 Ų | 132 | 124.2 Ų | 124.2 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | trans | 98.7 | 107.6 | 172.4 | -47.3 | -175.9 | 0 | 0 | 0 | 115.1 | T193 | L190-T193 HydrophobicContact CD2-CG2 3.9Š| ||
| 191 | P | 56 | Low | 50.1 | Low | 119 Ų | 119 | 122.7 Ų | 122.7 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | S | Bend | -143.7 | 77.3 | 108.9 | 37.6 | -21.9 | 0 | 0 | 0 | 112.5 | |||
| 192 | I | 52.1 | Low | 50 | Low | 131 Ų | 131 | 122.4 Ų | 122.4 | 67% | 0.672 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -133.1 | -9.6 | 165 | -55 | 179.6 | 0 | 0 | 0 | 112.2 | S194 | I192-S194 PolarHBondContact O-N 2.92Š|
| 193 | T | 50.3 | Low | 50.2 | Low | 83 Ų | 83 | 121.3 Ų | 121.3 | 51% | 0.509 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -77.6 | -21.5 | -177.4 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | L190 V195 M196 | L190-T193 HydrophobicContact CD2-CG2 3.9Å; T193-V195 PolarHBondContact O-N 3.18Å; T193-M196 PolarHBondContact O-N 3.46Å |
| 194 | S | 50 | Low | 50.5 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -71.8 | -17 | -177.4 | -169 | 0 | 0 | 0 | 0 | 113.7 | I192 | I192-S194 PolarHBondContact O-N 2.92Š|
| 195 | V | 50.1 | Low | 51 | Low | 111 Ų | 111 | 121.5 Ų | 121.5 | 67% | 0.673 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -91.6 | -18.4 | -179.9 | -162.8 | 0 | 0 | 0 | 0 | 111.6 | T193 | T193-V195 PolarHBondContact O-N 3.18Š|
| 196 | M | 50.3 | Low | 51.2 | Low | 122 Ų | 122 | 124.9 Ų | 124.9 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -82.9 | -12.3 | -179.8 | -71.1 | 176.8 | 89.8 | 0 | 0 | 114 | T193 H198 | T193-M196 PolarHBondContact O-N 3.46Å; M196-H198 VanDerWaalsContact C-N 3.34Å; M196-H198 PolarHBondContact O-N 3.19Å |
| 197 | Q | 51.8 | Low | 51.4 | Low | 163 Ų | 163 | 123.5 Ų | 123.5 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -74.9 | -17.3 | 179.8 | -74.5 | -178.2 | -21.9 | 0 | 0 | 114.4 | ||
| 198 | H | 48.8 | Very low | 51.4 | Low | 181 Ų | 181 | 122.5 Ų | 122.5 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -98.7 | 1.8 | -177.5 | -121.5 | 67.2 | 0 | 0 | 0 | 114.6 | M196 | M196-H198 VanDerWaalsContact C-N 3.34Å; M196-H198 PolarHBondContact O-N 3.19Å |
| 199 | L | 54.2 | Low | 51.7 | Low | 136 Ų | 136 | 123.8 Ų | 123.8 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 13.1 | -176 | -68.3 | 172.1 | 0 | 0 | 0 | 114.5 | ||
| 200 | G | 48.3 | Very low | 51.9 | Low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.4 | 29.2 | 161 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 201 | Y | 47.2 | Very low | 51.6 | Low | 180 Ų | 180 | 125.2 Ų | 125.2 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -92.4 | 138.1 | 172.1 | -77.6 | -85.1 | 0 | 0 | 0 | 112.4 | ||||
| 202 | P | 50.2 | Low | 51.4 | Low | 124 Ų | 124 | 126 Ų | 126 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | trans | -77.4 | 134.2 | 178.6 | 30.4 | -32.3 | 0 | 0 | 0 | 111.7 | ||||
| 203 | V | 50.8 | Low | 51.4 | Low | 130 Ų | 130 | 125.4 Ų | 125.4 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | trans | -106 | 139 | 177.1 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 204 | P | 53 | Low | 51.5 | Low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -66.6 | 147.5 | -178.9 | -19.4 | 32.1 | 0 | 0 | 0 | 114.7 | Q206 | P204-Q206 VanDerWaalsContact C-N 3.35Å; P204-Q206 PolarHBondContact O-N 3.45Å | ||
| 205 | A | 54.7 | Low | 51.4 | Low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 57.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 206 | Q | 54.3 | Low | 51.2 | Low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | 1.6 | 175.7 | -74.9 | -78.7 | -36.1 | 0 | 0 | 114.9 | P204 | P204-Q206 VanDerWaalsContact C-N 3.35Å; P204-Q206 PolarHBondContact O-N 3.45Å |
| 207 | L | 55.2 | Low | 51.3 | Low | 148 Ų | 148 | 137.7 Ų | 137.7 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -133.4 | 33.9 | -176.9 | -66.2 | 174.4 | 0 | 0 | 0 | 114.3 | ||||
| 208 | S | 49.3 | Very low | 51.1 | Low | 97 Ų | 97 | 136.8 Ų | 136.8 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -82.3 | -15.4 | 179.5 | -165.5 | 0 | 0 | 0 | 0 | 114.2 | V210 | S208-V210 PolarHBondContact O-N 3.37Š| ||
| 209 | S | 52.6 | Low | 50.7 | Low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -15.8 | -165.8 | -159.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 210 | V | 54.7 | Low | 50 | Low | 123 Ų | 123 | 133.9 Ų | 133.9 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 0.6 | -171.4 | -84 | 0 | 0 | 0 | 0 | 115.9 | S208 | S208-V210 PolarHBondContact O-N 3.37Š|
| 211 | V | 50.7 | Low | 49.8 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -97.5 | -13.3 | 179.2 | 168.4 | 0 | 0 | 0 | 0 | 113.6 | S213 | V211-S213 VanDerWaalsContact C-N 3.33Å; V211-S213 PolarHBondContact O-N 3.29Å |
| 212 | N | 50.7 | Low | 49.5 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -80.5 | -5.7 | -176.7 | -79.9 | -17.3 | 0 | 0 | 0 | 115.3 | M214 | N212-M214 PolarHBondContact O-N 3.44Š|
| 213 | S | 53.2 | Low | 48.7 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -88.9 | 4.7 | -175.3 | -56.7 | 0 | 0 | 0 | 0 | 115.3 | V211 | V211-S213 VanDerWaalsContact C-N 3.33Å; V211-S213 PolarHBondContact O-N 3.29Å |
| 214 | M | 51.7 | Low | 47.9 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -118.8 | 9.3 | -174.1 | -153.1 | 157.7 | 75.2 | 0 | 0 | 115.9 | N212 | N212-M214 PolarHBondContact O-N 3.44Š|
| 215 | W | 48.4 | Very low | 47.3 | Very low | 210 Ų | 210 | 136.9 Ų | 136.9 | 80% | 0.795 | 79% | 0.787 | S | S | * | * | trans | -151.4 | 91.3 | 175.4 | -66.2 | 98.2 | 0 | 0 | 0 | 112.8 | H217 | W215-H217 VanDerWaalsContact C-N 3.27Å; W215-H217 PolarHBondContact O-N 3.14Å; W215-H217 VanDerWaalsContact O-N 3.14Å | ||
| 216 | P | 44.5 | Very low | 46.4 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 34 | -177.8 | 34.4 | -33.6 | 0 | 0 | 0 | 114.1 | ||
| 217 | H | 52.4 | Low | 45.4 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.1 | 24.6 | -179.2 | -140.2 | -68.9 | 0 | 0 | 0 | 119.2 | W215 | W215-H217 VanDerWaalsContact C-N 3.27Å; W215-H217 PolarHBondContact O-N 3.14Å; W215-H217 VanDerWaalsContact O-N 3.14Å |
| 218 | V | 48.9 | Very low | 44.5 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -137.9 | 93.4 | 168.4 | -167.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 219 | G | 40.1 | Very low | 44.1 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 168 | 77.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 220 | M | 39.9 | Very low | 43.4 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -149.9 | 77 | 151.9 | -89.1 | -138.2 | 74.7 | 0 | 0 | 109.3 | ||||
| 221 | L | 43.8 | Very low | 43.3 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -144.1 | 129.8 | 147.9 | -73.4 | -179.9 | 0 | 0 | 0 | 107.8 | ||
| 222 | S | 39.8 | Very low | 42.4 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | 71.2 | 94.6 | 168.9 | -154.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 223 | D | 33.6 | Very low | 41.7 | Very low | 118 Ų | 118 | 138 Ų | 138 | 63% | 0.631 | 81% | 0.805 | S | S | * | * | 173.5 | 126.4 | 95.3 | -113.2 | -66.7 | 0 | 0 | 0 | 108.7 | |||||
| 224 | S | 35.2 | Very low | 40.8 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | 174.8 | 81.6 | 147 | -77.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 225 | M | 39.3 | Very low | 40.1 | Very low | 169 Ų | 169 | 140 Ų | 140 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | trans | -58.5 | 120.3 | 141 | 48.1 | -176 | 149.7 | 0 | 0 | 108.3 | ||||
| 226 | S | 35.8 | Very low | 39.5 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 147.8 | 131.3 | 145.6 | -164.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 227 | A | 33.8 | Very low | 39.4 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | 73 | 89.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 228 | M | 36.8 | Very low | 39.3 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -118 | 133.7 | 144.3 | -73.4 | -72.1 | -78.3 | 0 | 0 | 108.5 | ||||
| 229 | P | 40.8 | Very low | 38.7 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -96.8 | 127 | 147.3 | 18.5 | -1 | 0 | 0 | 0 | 109.5 | ||||
| 230 | L | 38.1 | Very low | 38.6 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -57.1 | 161.8 | 154.7 | -79.5 | 166.2 | 0 | 0 | 0 | 109.6 | ||||
| 231 | P | 51.5 | Low | 38.8 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | cis | -150.8 | 170 | 39.8 | 38.3 | -15.7 | 0 | 0 | 0 | 118 | ||||
| 232 | V | 32 | Very low | 38.7 | Very low | 136 Ų | 136 | 132 Ų | 132 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | 143.3 | 136.1 | 122.6 | 113.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 233 | S | 36.8 | Very low | 38.8 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -56.9 | 152.5 | -176 | -54.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 234 | S | 34.1 | Very low | 38.9 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | -159.7 | 121.2 | 129.8 | -142.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 235 | E | 35.7 | Very low | 38.8 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -72.6 | 134.9 | 170.8 | -62.5 | 174.3 | 109.3 | 0 | 0 | 110.4 | ||||
| 236 | Y | 37.3 | Very low | 38.8 | Very low | 213 Ų | 213 | 139.6 Ų | 139.6 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -176.3 | 120.5 | 131.4 | -136.9 | -108.3 | 0 | 0 | 0 | 110.4 | P238 | Y236-P238 HydrophobicContact CD1-CG 4.36Š| ||
| 237 | A | 41.8 | Very low | 38.8 | Very low | 87 Ų | 87 | 145 Ų | 145 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | trans | -85 | 150.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 238 | P | 50.7 | Low | 39.2 | Very low | 86 Ų | 86 | 149.9 Ų | 149.9 | 56% | 0.558 | 82% | 0.817 | S | S | * | * | -150.8 | 159.2 | 117.5 | 32.8 | -13.4 | 0 | 0 | 0 | 115.7 | Y236 | Y236-P238 HydrophobicContact CD1-CG 4.36Š| |||
| 239 | F | 36.1 | Very low | 39.3 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | trans | 92.9 | 89.1 | 166 | -51.9 | -66.3 | 0 | 0 | 0 | 117.3 | ||||
| 240 | G | 38.1 | Very low | 39 | Very low | 79 Ų | 79 | 149.7 Ų | 149.7 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -75.5 | 147.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 241 | V | 44.4 | Very low | 39 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -124.7 | 129.4 | 157.6 | -85 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 242 | S | 41.8 | Very low | 38.3 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -78.7 | 126 | -179.6 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 243 | M | 40.6 | Very low | 38.6 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 95% | 0.946 | 82% | 0.819 | S | S | * | * | trans | -121.8 | 122.7 | 158.1 | -79.9 | -126.9 | -83.1 | 0 | 0 | 109 | ||||
| 244 | K | 35.8 | Very low | 39.2 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -90.4 | 132.1 | 176.6 | 48.5 | 178.2 | 176.8 | -178.8 | 0 | 110.2 | ||||
| 245 | D | 32.6 | Very low | 39.9 | Very low | 142 Ų | 142 | 150 Ų | 150 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | 57.9 | 102.8 | 142.1 | -56.1 | -39 | 0 | 0 | 0 | 120.2 | ||||
| 246 | L | 39.8 | Very low | 40.5 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | -176.8 | 113.7 | 100.1 | -125.7 | 70.1 | 0 | 0 | 0 | 107.5 | |||||
| 247 | Y | 37 | Very low | 41 | Very low | 232 Ų | 232 | 143 Ų | 143 | 91% | 0.91 | 81% | 0.812 | S | S | * | * | trans | -177.2 | 114.8 | 141 | -98.8 | -71.3 | 0 | 0 | 0 | 108.5 | H249 | Y247-H249 PolarHBondContact O-N 3.48Š| ||
| 248 | H | 41.4 | Very low | 41.5 | Very low | 191 Ų | 191 | 147 Ų | 147 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -62 | 122.7 | 173.2 | -85 | -85.2 | 0 | 0 | 0 | 110.9 | ||||
| 249 | H | 37.8 | Very low | 41.8 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 88% | 0.88 | 83% | 0.827 | S | S | * | * | trans | -85.4 | 123.5 | 152.2 | -83.6 | -94.2 | 0 | 0 | 0 | 108.4 | Y247 | Y247-H249 PolarHBondContact O-N 3.48Š| ||
| 250 | A | 35.1 | Very low | 43.2 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -112.7 | 114.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 251 | S | 37.7 | Very low | 44 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -83.3 | 135 | 169.9 | 49.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 252 | G | 38.3 | Very low | 44.5 | Very low | 70 Ų | 70 | 147.8 Ų | 147.8 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 58.4 | 115.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 253 | Q | 37 | Very low | 45 | Very low | 178 Ų | 178 | 151.3 Ų | 151.3 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | 158.4 | 125.2 | 114 | -83.6 | -151.6 | 70.2 | 0 | 0 | 113.3 | |||||
| 254 | T | 50.9 | Low | 45.5 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | trans | 39.4 | 110.9 | 141.9 | 60.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 255 | L | 47.1 | Very low | 46.4 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -147.4 | 144.5 | 149.8 | -78.4 | -179.9 | 0 | 0 | 0 | 111.5 | ||||
| 256 | P | 48.3 | Very low | 47.5 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 147 | -173.2 | 32.3 | -34.1 | 0 | 0 | 0 | 113.7 | M258 | P256-M258 PolarHBondContact O-N 3.36Š|
| 257 | T | 47.6 | Very low | 47.7 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 117.1 | 171.5 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 258 | M | 53.1 | Low | 48.6 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 126.2 | 164.7 | -77.7 | -72.8 | -170.9 | 0 | 0 | 109.8 | P256 | P256-M258 PolarHBondContact O-N 3.36Š|
| 259 | P | 57.8 | Low | 48.9 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 134.8 | 172.8 | -5.9 | 22.3 | 0 | 0 | 0 | 110.9 | ||
| 260 | V | 65.5 | Low | 49.9 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134.5 | 176.3 | -171.6 | 0 | 0 | 0 | 0 | 110.1 | I262 | V260-I262 PolarHBondContact O-N 2.92Š|
| 261 | P | 54.9 | Low | 50.8 | Low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 118.9 | 176.7 | -20.8 | 32.4 | 0 | 0 | 0 | 112.2 | ||
| 262 | I | 54.8 | Low | 51.5 | Low | 163 Ų | 163 | 134.3 Ų | 134.3 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 118.8 | 172.3 | -42.8 | 172.5 | 0 | 0 | 0 | 107.4 | V260 P264 | V260-I262 PolarHBondContact O-N 2.92Å; I262-P264 WeakPolarHBondContact O-CD 3.35Å |
| 263 | K | 51.9 | Low | 51.8 | Low | 191 Ų | 191 | 134.6 Ų | 134.6 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 126.5 | 175.3 | -177.3 | 172.1 | 174.5 | 170.3 | 0 | 109.9 | ||
| 264 | P | 50 | Low | 52 | Low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 134.8 | 177.4 | -16.4 | 29.4 | 0 | 0 | 0 | 112.4 | I262 | I262-P264 WeakPolarHBondContact O-CD 3.35Š|
| 265 | T | 56.7 | Low | 51.7 | Low | 130 Ų | 130 | 134.7 Ų | 134.7 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 140.4 | 161.7 | -9.2 | 0 | 0 | 0 | 0 | 110.5 | S267 | T265-S267 PolarHBondContact O-N 3.43Š|
| 266 | P | 54.7 | Low | 51.2 | Low | 130 Ų | 130 | 130.3 Ų | 130.3 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 118.3 | 174.4 | 28.6 | -30.6 | 0 | 0 | 0 | 110.7 | ||
| 267 | S | 44.7 | Very low | 51 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 127.8 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | T265 | T265-S267 PolarHBondContact O-N 3.43Š|
| 268 | M | 54.7 | Low | 51.5 | Low | 182 Ų | 182 | 131.2 Ų | 131.2 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 123.1 | 170.9 | -70.5 | -97.3 | 74.9 | 0 | 0 | 109.3 | ||
| 269 | G | 49.4 | Very low | 51.8 | Low | 62 Ų | 62 | 128.9 Ų | 128.9 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | -107.1 | 152.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 270 | P | 58.2 | Low | 50.9 | Low | 126 Ų | 126 | 126.9 Ų | 126.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -91.1 | 151.6 | -172.4 | 36.4 | -32.4 | 0 | 0 | 0 | 112.6 | ||||
| 271 | M | 54.6 | Low | 50.2 | Low | 173 Ų | 173 | 126.6 Ų | 126.6 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | -109.4 | 129.8 | 171.3 | -84.1 | -94.3 | 61.2 | 0 | 0 | 111.3 | ||||
| 272 | P | 52.5 | Low | 49.6 | Very low | 114 Ų | 114 | 125 Ų | 125 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -86 | 149.5 | 166.5 | -2.6 | 22.9 | 0 | 0 | 0 | 111.4 | ||||
| 273 | G | 44.6 | Very low | 49 | Very low | 76 Ų | 76 | 126.2 Ų | 126.2 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -91.8 | -176.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 274 | L | 41.3 | Very low | 48.4 | Very low | 177 Ų | 177 | 124.9 Ų | 124.9 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | trans | -148.6 | 147.6 | 157.3 | -102.3 | 164.7 | 0 | 0 | 0 | 110.2 | ||||
| 275 | S | 43.5 | Very low | 47.5 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -91.1 | 161.4 | -152.3 | -44.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 276 | G | 37.2 | Very low | 46.7 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 177 | 71.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 277 | L | 43.3 | Very low | 46.6 | Very low | 160 Ų | 160 | 123.7 Ų | 123.7 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -45.3 | 173.7 | 162.9 | -97.3 | 144.8 | 0 | 0 | 0 | 115.5 | ||||
| 278 | P | 58.1 | Low | 46.2 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | cis | -142.2 | -151 | 6.3 | 47.5 | -25 | 0 | 0 | 0 | 114.5 | ||||
| 279 | P | 60 | Low | 45.5 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -136.3 | 166.7 | -113 | 36.1 | -11 | 0 | 0 | 0 | 118.9 | |||||
| 280 | G | 38.1 | Very low | 44.8 | Very low | 74 Ų | 74 | 123.4 Ų | 123.4 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 88.9 | 166.8 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 281 | P | 51.3 | Low | 43.8 | Very low | 121 Ų | 121 | 124 Ų | 124 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | cis | -129.7 | 166.8 | -8 | 36.5 | -17.4 | 0 | 0 | 0 | 116.4 | ||||
| 282 | S | 43.1 | Very low | 43 | Very low | 90 Ų | 90 | 122 Ų | 122 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | -33.7 | 144.5 | 163.7 | 48.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 283 | H | 42.2 | Very low | 42.3 | Very low | 187 Ų | 187 | 124.3 Ų | 124.3 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -160.4 | 106.5 | 138.9 | -75.7 | -75.5 | 0 | 0 | 0 | 107.4 | ||||
| 284 | L | 38.7 | Very low | 41.8 | Very low | 163 Ų | 163 | 127.2 Ų | 127.2 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | 51.8 | 127.5 | 80.5 | -79 | 169.4 | 0 | 0 | 0 | 117.1 | |||||
| 285 | C | 31.3 | Very low | 41.5 | Very low | 126 Ų | 126 | 122 Ų | 122 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | trans | 109.2 | 112.4 | 153.4 | -81.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 286 | S | 38.9 | Very low | 41.1 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | -85.4 | 170.5 | 129.8 | -58.2 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 287 | P | 53.3 | Low | 41.4 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | cis | -144.6 | -172.2 | 17.8 | 40.5 | -17.9 | 0 | 0 | 0 | 116.9 | ||||
| 288 | S | 36.3 | Very low | 42.1 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 78.2 | 119.1 | 147.1 | -65.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 289 | S | 38.7 | Very low | 41.3 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 23.4 | 133.7 | 134.4 | 61.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 290 | L | 34.9 | Very low | 40.3 | Very low | 148 Ų | 148 | 128 Ų | 128 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | 161.2 | 142.2 | 110 | -108.3 | 153.5 | 0 | 0 | 0 | 114.5 | |||||
| 291 | L | 37.7 | Very low | 40.2 | Very low | 139 Ų | 139 | 128 Ų | 128 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | trans | 68.8 | 143.6 | 147.4 | -125 | 72 | 0 | 0 | 0 | 118.3 | ||||
| 292 | E | 38.2 | Very low | 39.6 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | cis | -166.8 | 149.3 | 21.3 | -158.6 | -173.3 | 114.2 | 0 | 0 | 110.9 | ||||
| 293 | K | 38.7 | Very low | 39.3 | Very low | 162 Ų | 162 | 131 Ų | 131 | 70% | 0.704 | 77% | 0.774 | S | S | * | * | trans | 46.1 | 153.8 | 144.3 | -84.7 | 164.1 | 132.8 | 175.9 | 0 | 122.4 | ||||
| 294 | N | 32.5 | Very low | 39.2 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | cis | -150.9 | 151.4 | 16.2 | -99.6 | -28.8 | 0 | 0 | 0 | 104.8 | ||||
| 295 | G | 34.8 | Very low | 39.8 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | cis | 110.1 | 102.2 | 36.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 296 | S | 36.3 | Very low | 40.4 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | 164.7 | 91.9 | 141.2 | 40.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 297 | D | 42.6 | Very low | 40.8 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -90.2 | 179.4 | 133.3 | -84.2 | -44.9 | 0 | 0 | 0 | 106.8 | ||||
| 298 | P | 58.9 | Low | 40.8 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | cis | -140.3 | -178 | 14.9 | 25.2 | 3.9 | 0 | 0 | 0 | 113 | ||||
| 299 | L | 40.4 | Very low | 41.1 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 71% | 0.707 | 76% | 0.762 | S | S | * | * | 176.5 | 124.6 | 76.8 | -82.8 | 168.1 | 0 | 0 | 0 | 107.4 | |||||
| 300 | E | 39.1 | Very low | 41.8 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | 70.6 | 136 | 103.6 | -70.8 | -152.5 | 125.3 | 0 | 0 | 117.8 | |||||
| 301 | G | 35.9 | Very low | 42.8 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 143.5 | 86.4 | 145 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 302 | M | 39.4 | Very low | 43.2 | Very low | 200 Ų | 200 | 135.7 Ų | 135.7 | 99% | 0.985 | 78% | 0.775 | S | S | * | * | trans | 30 | 134.7 | 141.5 | -80.2 | -163.7 | 157.4 | 0 | 0 | 122.8 | ||||
| 303 | G | 35.8 | Very low | 44.7 | Very low | 74 Ų | 74 | 138.6 Ų | 138.6 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | 112.6 | 106.7 | 121.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 304 | N | 41.5 | Very low | 45 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -69.7 | 145.9 | 146.9 | -80.7 | -26.1 | 0 | 0 | 0 | 108.1 | ||||
| 305 | P | 50.9 | Low | 45.6 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | -158.4 | 167.3 | 78.8 | 41.3 | -20 | 0 | 0 | 0 | 118.5 | |||||
| 306 | I | 43.2 | Very low | 46.2 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | 74.4 | 129 | 149.9 | -60 | 149.1 | 0 | 0 | 0 | 121.2 | ||||
| 307 | H | 47 | Very low | 46.8 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | trans | -7.5 | 150.2 | 157.8 | -80.6 | -87.9 | 0 | 0 | 0 | 121.2 | ||||
| 308 | P | 53.1 | Low | 47.1 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | -138.6 | 138.6 | 95.2 | 26.1 | -6.4 | 0 | 0 | 0 | 113.6 | |||||
| 309 | V | 44 | Very low | 46.3 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 69% | 0.691 | 82% | 0.824 | S | S | * | * | 47.5 | 103.6 | 101.9 | -175.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 310 | L | 53.1 | Low | 46.7 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 95% | 0.953 | 83% | 0.832 | S | S | * | * | trans | -137.8 | 133.8 | 144.5 | -78.7 | -178.1 | 0 | 0 | 0 | 109.8 | ||||
| 311 | L | 55.6 | Low | 47.3 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 73% | 0.733 | 83% | 0.828 | S | S | * | * | trans | -120.7 | 154.3 | -171 | -154.8 | 146 | 0 | 0 | 0 | 106.3 | ||||
| 312 | L | 47 | Very low | 48.2 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 78% | 0.78 | 84% | 0.835 | S | S | * | * | trans | 94 | 154.9 | 169.4 | -77.5 | 111.3 | 0 | 0 | 0 | 119.3 | ||||
| 313 | P | 68 | Low | 49 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 100% | 1.24 | 82% | 0.822 | S | S | * | * | cis | -109.8 | 0 | -9.8 | 28 | -10.9 | 0 | 0 | 0 | 114 |
Retrieved 313 of 313 residues in 734.6 ms
(Link to these results)