| 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 | 43.5 | Very low | 70.3 | Confident | 90 Ų | 90 | 64.4 Ų | 64.4 | 44% | 0.443 | 34% | 0.342 | S | S | . | . | 0 | 123.2 | 0 | -64.4 | -171.5 | -63.2 | 0 | 0 | 105.1 | K728 E729 | M1-K728 HydrophobicContact CE-CG 4.44Å; M1-K728 HydrophobicContact SD-CD 4.27Å; M1-E729 PolarHBondContact N-OE1 3.46Å; M1-E729 PolarHBondContact N-OE2 3.22Å | |||
| 2 | S | 45.8 | Very low | 71.8 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 42% | 0.42 | 34% | 0.341 | S | S | . | . | trans | -69.5 | 148.9 | -163.1 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | N4 E5 | S2-N4 PolarHBondContact O-N 3.15Å; S2-E5 PolarHBondContact O-N 3.07Å | ||
| 3 | V | 59.1 | Low | 73.3 | Confident | 91 Ų | 91 | 61.1 Ų | 61.1 | 55% | 0.552 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -55.1 | -21.8 | 176.3 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | E5 L6 F7 L62 | V3-E5 PolarHBondContact O-N 3.07Å; V3-E5 VanDerWaalsContact O-N 3.14Å; V3-L6 HydrophobicContact CG1-CD1 3.95Å; V3-L6 VanDerWaalsContact O-CB 3.3Å; V3-L6 WeakPolarHBondContact O-CB 3.39Å; V3-L6 PolarHBondContact O-N 3.27Å; V3-F7 HydrophobicContact CG1-CE2 4.29Å; V3-L62 HydrophobicContact CG1-CD1 3.98Å |
| 4 | N | 64.6 | Low | 74.6 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -53.5 | -31.2 | 179.3 | -57.9 | -9 | 0 | 0 | 0 | 113.5 | S2 L6 F7 E33 L59 | S2-N4 PolarHBondContact O-N 3.15Å; N4-L6 PolarHBondContact O-N 2.79Å; N4-L6 VanDerWaalsContact O-N 3.13Å; N4-F7 PolarHBondContact O-N 3Å; N4-E33 PolarHBondContact ND2-OE1 3.27Å; N4-L59 WeakPolarHBondContact OD1-CD1 3.4Å |
| 5 | E | 69.1 | Low | 75.6 | Confident | 103 Ų | 103 | 54.3 Ų | 54.3 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -64 | -13.9 | 175.4 | -71.8 | -169.2 | -173.4 | 0 | 0 | 114.1 | S2 V3 K752 | S2-E5 PolarHBondContact O-N 3.07Å; V3-E5 PolarHBondContact O-N 3.07Å; V3-E5 VanDerWaalsContact O-N 3.14Å; E5-K752 PolarHBondContact O-NZ 3.06Å |
| 6 | L | 74.4 | Confident | 76.4 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 9% | 0.089 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -83.7 | -16.1 | -179.5 | -63.3 | 166.1 | 0 | 0 | 0 | 113.2 | V3 N4 T8 T11 L62 Y79 Y749 K752 | V3-L6 HydrophobicContact CG1-CD1 3.95Å; V3-L6 VanDerWaalsContact O-CB 3.3Å; V3-L6 WeakPolarHBondContact O-CB 3.39Å; V3-L6 PolarHBondContact O-N 3.27Å; N4-L6 PolarHBondContact O-N 2.79Å; N4-L6 VanDerWaalsContact O-N 3.13Å; L6-T8 PolarHBondContact O-N 3.39Å; L6-T11 WeakPolarHBondContact O-CG2 3.46Å; L6-T11 PolarHBondContact O-OG1 3.46Å; L6-L62 HydrophobicContact CB-CD1 3.78Å; L6-L62 HydrophobicContact CB-CD2 4.49Å; L6-L62 HydrophobicContact CD1-CD1 3.74Å; L6-L62 HydrophobicContact CG-CD1 4.4Å; L6-Y79 HydrophobicContact CD1-CE1 4.24Å; L6-Y749 HydrophobicContact CD2-CD2 4.22Å; L6-K752 HydrophobicContact CD2-CD 4.1Å |
| 7 | F | 81.1 | Confident | 77 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | trans | -82.6 | 50.9 | -175.5 | -69.6 | -99.6 | 0 | 0 | 0 | 113 | V3 N4 V13 I27 Y31 L38 L59 P60 L62 | V3-F7 HydrophobicContact CG1-CE2 4.29Å; N4-F7 PolarHBondContact O-N 3Å; F7-V13 HydrophobicContact CD1-CG1 4.28Å; F7-V13 HydrophobicContact CE1-CG1 3.96Å; F7-I27 HydrophobicContact CB-CD1 3.91Å; F7-I27 HydrophobicContact CD1-CD1 3.68Å; F7-I27 HydrophobicContact CG-CD1 4.21Å; F7-Y31 HydrophobicContact CB-CD1 4.17Å; F7-Y31 HydrophobicContact CB-CG 4.34Å; F7-Y31 WeakPolarHBondContact O-CB 3.32Å; F7-Y31 PolarHBondContact O-N 3.38Å; F7-L38 HydrophobicContact CD1-CD2 4.28Å; F7-L59 HydrophobicContact CD1-CD1 4.45Å; F7-L59 HydrophobicContact CD2-CD1 3.88Å; F7-L59 HydrophobicContact CE1-CB 3.83Å; F7-L59 HydrophobicContact CE1-CD1 4.35Å; F7-L59 HydrophobicContact CE1-CG 4.48Å; F7-L59 HydrophobicContact CE2-CB 4.25Å; F7-L59 HydrophobicContact CE2-CD1 3.75Å; F7-L59 HydrophobicContact CG-CD1 4.24Å; F7-L59 HydrophobicContact CZ-CB 3.66Å; F7-L59 HydrophobicContact CZ-CD1 4.01Å; F7-L59 HydrophobicContact CZ-CG 4.39Å; F7-P60 HydrophobicContact CE1-CG 4.3Å; F7-P60 WeakPolarHBondContact CE1-O 3.18Å; F7-P60 WeakPolarHBondContact CZ-O 3.4Å; F7-L62 HydrophobicContact CD1-CD2 4.25Å; F7-L62 HydrophobicContact CD2-CD2 4.34Å; F7-L62 HydrophobicContact CE1-CD2 3.88Å; F7-L62 HydrophobicContact CE1-CG 4.33Å; F7-L62 HydrophobicContact CE2-CD1 4.01Å; F7-L62 HydrophobicContact CE2-CD2 4Å; F7-L62 HydrophobicContact CE2-CG 4.04Å; F7-L62 HydrophobicContact CG-CD2 4.45Å; F7-L62 HydrophobicContact CZ-CD1 4.22Å; F7-L62 HydrophobicContact CZ-CD2 3.75Å; F7-L62 HydrophobicContact CZ-CG 3.76Å | ||
| 8 | T | 83.7 | Confident | 77.3 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | trans | -83.9 | 162 | 175.9 | 43.3 | 0 | 0 | 0 | 0 | 112.9 | L6 T11 D30 | L6-T8 PolarHBondContact O-N 3.39Å; T8-T11 WeakPolarHBondContact O-CB 3.47Å; T8-T11 PolarHBondContact O-N 3.15Å; T8-T11 VanDerWaalsContact O-N 3.07Å; T8-T11 PolarHBondContact O-OG1 3.41Å; T8-T11 PolarHBondContact OG1-OG1 3.28Å; T8-T11 VanDerWaalsContact OG1-OG1 3.05Å; T8-D30 WeakPolarHBondContact CA-OD1 3.47Å; T8-D30 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 9 | K | 84.1 | Confident | 77.6 | Confident | 113 Ų | 113 | 58.9 Ų | 58.9 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 140.7 | 172.4 | -176.6 | 177.5 | 177.5 | 120.1 | 0 | 111 | I27 T28 D30 | K9-I27 CarbonylContact C-O 3.42Å; K9-I27 WeakPolarHBondContact CA-O 3.35Å; K9-T28 VanDerWaalsContact CD-O 3.25Å; K9-T28 WeakPolarHBondContact CD-O 3.47Å; K9-T28 VanDerWaalsContact CE-O 3.31Å; K9-T28 WeakPolarHBondContact CE-O 3.4Å; K9-T28 WeakPolarHBondContact CG-O 3.48Å; K9-T28 PolarHBondContact NZ-O 2.86Å; K9-D30 PolarHBondContact N-OD1 3.41Å |
| 10 | L | 82.8 | Confident | 77.9 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 4.7 | -171.2 | -39.8 | 179.4 | 0 | 0 | 0 | 115 | E26 I27 | L10-E26 VanDerWaalsContact CD2-OE1 3.23Å; L10-E26 WeakPolarHBondContact CD2-OE1 3.49Å; L10-I27 PolarHBondContact N-O 3.07Å |
| 11 | T | 85.3 | Confident | 78.5 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | trans | -78.3 | 135 | 168.8 | -54.7 | 0 | 0 | 0 | 0 | 109.4 | L6 T8 I27 L62 | L6-T11 WeakPolarHBondContact O-CG2 3.46Å; L6-T11 PolarHBondContact O-OG1 3.46Å; T8-T11 WeakPolarHBondContact O-CB 3.47Å; T8-T11 PolarHBondContact O-N 3.15Å; T8-T11 VanDerWaalsContact O-N 3.07Å; T8-T11 PolarHBondContact O-OG1 3.41Å; T8-T11 PolarHBondContact OG1-OG1 3.28Å; T8-T11 VanDerWaalsContact OG1-OG1 3.05Å; T11-I27 WeakPolarHBondContact O-CB 3.37Å; T11-I27 WeakPolarHBondContact O-CG1 3.46Å; T11-I27 PolarHBondContact O-N 3.35Å; T11-L62 HydrophobicContact CG2-CD2 3.75Å | ||
| 12 | R | 88.6 | Confident | 80.7 | Confident | 86 Ų | 86 | 54.4 Ų | 54.4 | 33% | 0.325 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 144.4 | 175.7 | -64.8 | 179.1 | -175.1 | 154.4 | -3.7 | 112.3 | A25 E26 R63 D66 | R12-A25 CarbonylContact C-O 3.55Å; R12-A25 VanDerWaalsContact CA-O 3.28Å; R12-A25 WeakPolarHBondContact CA-O 3.46Å; R12-E26 HydrophobicContact CG-CB 4.43Å; R12-E26 HydrophobicContact CG-CG 4.35Å; R12-E26 IonicContact NE-OE2 2.69Å; R12-R63 HydrophobicContact CB-CB 3.85Å; R12-R63 HydrophobicContact CB-CG 4.41Å; R12-R63 PolarHBondContact O-N 2.91Å; R12-D66 IonicContact CZ-OD2 3.17Å; R12-D66 IonicContact NH1-OD1 2.68Å; R12-D66 PolarHBondContact NH1-OD1 2.94Å; R12-D66 IonicContact NH1-OD2 2.92Å; R12-D66 PolarHBondContact NH1-OD2 3.22Å |
| 13 | V | 91.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 167 | -179.3 | -61.9 | 0 | 0 | 0 | 0 | 111 | F7 A24 A25 I27 L40 P60 F61 L62 | F7-V13 HydrophobicContact CD1-CG1 4.28Å; F7-V13 HydrophobicContact CE1-CG1 3.96Å; V13-A24 WeakPolarHBondContact O-CA 3.35Å; V13-A25 HydrophobicContact CG2-CB 4.19Å; V13-A25 PolarHBondContact N-O 3.12Å; V13-A25 PolarHBondContact O-N 3.34Å; V13-I27 HydrophobicContact CG1-CD1 3.96Å; V13-I27 HydrophobicContact CG1-CG1 4.22Å; V13-L40 HydrophobicContact CG2-CD1 4.04Å; V13-L40 HydrophobicContact CG2-CD2 3.69Å; V13-P60 HydrophobicContact CB-CB 4.18Å; V13-P60 HydrophobicContact CB-CG 4.04Å; V13-P60 HydrophobicContact CG1-CG 4.26Å; V13-P60 HydrophobicContact CG2-CB 4.32Å; V13-P60 HydrophobicContact CG2-CG 3.98Å; V13-F61 CarbonylContact C-O 3.6Å; V13-F61 VanDerWaalsContact CA-O 3.24Å; V13-F61 WeakPolarHBondContact CA-O 3.44Å; V13-L62 HydrophobicContact CG1-CD2 4.02Å |
| 14 | W | 90.7 | Very high | 84.3 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 6% | 0.057 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126 | 173 | -63 | 106.4 | 0 | 0 | 0 | 110.3 | W22 K23 A24 P60 F61 R63 H81 P83 H87 | W14-W22 HydrophobicContact CB-CE3 4.17Å; W14-W22 HydrophobicContact CE3-CB 4.2Å; W14-K23 WeakPolarHBondContact CA-O 3.27Å; W14-A24 HydrophobicContact CE3-CB 4.06Å; W14-A24 HydrophobicContact CH2-CB 4.12Å; W14-A24 HydrophobicContact CZ3-CB 3.71Å; W14-P60 VanDerWaalsContact O-CB 3.23Å; W14-P60 WeakPolarHBondContact O-CB 3.43Å; W14-F61 HydrophobicContact CB-CB 4.31Å; W14-F61 PolarHBondContact N-O 3.44Å; W14-R63 HydrophobicContact CZ2-CG 3.73Å; W14-H81 AromaticContact CD1-CE1 3.76Å; W14-P83 HydrophobicContact CB-CB 3.84Å; W14-P83 HydrophobicContact CB-CG 3.89Å; W14-P83 HydrophobicContact CD2-CB 3.8Å; W14-P83 HydrophobicContact CE3-CB 4.39Å; W14-P83 HydrophobicContact CG-CB 3.52Å; W14-P83 HydrophobicContact CG-CG 3.93Å; W14-H87 HydrophobicContact CH2-CB 3.67Å; W14-H87 AromaticContact CH2-CD2 3.67Å; W14-H87 AromaticContact CH2-CG 3.43Å; W14-H87 VanDerWaalsContact CH2-CG 3.43Å; W14-H87 AromaticContact CH2-ND1 3.76Å; W14-H87 HydrophobicContact CZ2-CB 3.62Å; W14-H87 AromaticContact CZ2-CD2 3.47Å; W14-H87 VanDerWaalsContact CZ2-CD2 3.47Å; W14-H87 WeakPolarHBondContact CZ2-CD2 3.41Å; W14-H87 AromaticContact CZ2-CG 3.55Å |
| 15 | V | 89.7 | Confident | 85.5 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.03 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 146.9 | 172.4 | -68.3 | 0 | 0 | 0 | 0 | 110.2 | W22 K23 L40 L42 L48 Y50 P60 | V15-W22 WeakPolarHBondContact O-CA 3.47Å; V15-K23 WeakPolarHBondContact CG2-O 3.37Å; V15-K23 PolarHBondContact N-O 3.09Å; V15-K23 PolarHBondContact O-N 3.41Å; V15-L40 HydrophobicContact CG1-CD1 3.48Å; V15-L40 VanDerWaalsContact CG1-CD1 3.48Å; V15-L42 HydrophobicContact CG2-CD2 4.01Å; V15-L48 HydrophobicContact CG2-CD2 4.25Å; V15-Y50 HydrophobicContact CB-CD2 4.42Å; V15-Y50 HydrophobicContact CB-CE2 4.46Å; V15-Y50 HydrophobicContact CG1-CD2 3.73Å; V15-Y50 HydrophobicContact CG1-CE2 4.05Å; V15-Y50 HydrophobicContact CG1-CG 4.47Å; V15-P60 HydrophobicContact CG1-CB 4.29Å |
| 16 | P | 88.5 | Confident | 86.6 | Confident | 80 Ų | 80 | 46.5 Ų | 46.5 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 143.2 | 173.7 | -19.1 | 31.4 | 0 | 0 | 0 | 111.3 | V21 W22 | P16-V21 WeakPolarHBondContact CA-O 3.43Å; P16-W22 HydrophobicContact CB-CZ3 4.31Å; P16-W22 HydrophobicContact CG-CE3 4.42Å; P16-W22 HydrophobicContact CG-CH2 4.22Å; P16-W22 HydrophobicContact CG-CZ3 3.74Å |
| 17 | D | 86.7 | Confident | 87.3 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 139.5 | 179.4 | -177.6 | 83.8 | 0 | 0 | 0 | 110.4 | D19 D20 V21 K23 | D17-D19 VanDerWaalsContact C-N 3.28Å; D17-D19 PolarHBondContact O-N 3.27Å; D17-D19 WeakPolarHBondContact OD2-CA 3.33Å; D17-D19 PolarHBondContact OD2-N 3.28Å; D17-D20 PolarHBondContact OD2-N 3.36Å; D17-V21 PolarHBondContact N-O 2.99Å; D17-V21 CarbonylContact O-C 3.59Å; D17-V21 WeakPolarHBondContact O-CA 3.33Å; D17-V21 PolarHBondContact O-N 2.97Å; D17-K23 HydrophobicContact CB-CB 4.2Å; D17-K23 HydrophobicContact CB-CD 4.11Å; D17-K23 HydrophobicContact CB-CG 3.78Å; D17-K23 VanDerWaalsContact CG-CD 3.49Å; D17-K23 VanDerWaalsContact OD1-CD 3.24Å; D17-K23 WeakPolarHBondContact OD1-CD 3.37Å; D17-K23 VanDerWaalsContact OD1-CE 3.32Å; D17-K23 WeakPolarHBondContact OD1-CE 3.37Å; D17-K23 IonicContact OD1-NZ 3.69Å; D17-K23 PolarHBondContact OD1-NZ 3.06Å; D17-K23 VanDerWaalsContact OD2-CE 3.22Å; D17-K23 WeakPolarHBondContact OD2-CE 3.48Å; D17-K23 IonicContact OD2-NZ 3.84Å; D17-K23 PolarHBondContact OD2-NZ 3.35Å |
| 18 | P | 83.5 | Confident | 87.6 | Confident | 102 Ų | 102 | 47.5 Ų | 47.5 | 66% | 0.662 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -23.2 | -177.4 | 27.4 | -36 | 0 | 0 | 0 | 114.2 | R666 | P18-R666 PolarHBondContact O-NH1 2.95Š|
| 19 | D | 81.7 | Confident | 87.7 | Confident | 89 Ų | 89 | 51.3 Ų | 51.3 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -51.9 | -172.9 | -66 | -49.2 | 0 | 0 | 0 | 113.1 | D17 V21 R666 | D17-D19 VanDerWaalsContact C-N 3.28Å; D17-D19 PolarHBondContact O-N 3.27Å; D17-D19 WeakPolarHBondContact OD2-CA 3.33Å; D17-D19 PolarHBondContact OD2-N 3.28Å; D19-V21 VanDerWaalsContact C-N 3.33Å; D19-R666 PolarHBondContact O-NE 3.07Å; D19-R666 IonicContact OD1-CZ 2.75Å; D19-R666 IonicContact OD1-NH1 2.76Å; D19-R666 PolarHBondContact OD1-NH1 3.07Å; D19-R666 IonicContact OD1-NH2 3.33Å |
| 20 | D | 84.5 | Confident | 87.7 | Confident | 43 Ų | 43 | 49.9 Ų | 49.9 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 0 | 178.7 | -83.6 | -71.8 | 0 | 0 | 0 | 113.4 | D17 W22 K23 R90 S665 | D17-D20 PolarHBondContact OD2-N 3.36Å; D20-W22 PolarHBondContact O-N 3.41Å; D20-K23 HydrophobicContact CB-CG 3.97Å; D20-K23 WeakPolarHBondContact OD2-CE 3.5Å; D20-K23 IonicContact OD2-NZ 3.74Å; D20-R90 IonicContact OD1-CZ 2.65Å; D20-R90 IonicContact OD1-NH1 3.41Å; D20-R90 PolarHBondContact OD1-NH1 3.39Å; D20-R90 IonicContact OD1-NH2 3.68Å; D20-R90 PolarHBondContact OD1-NH2 3.33Å; D20-S665 WeakPolarHBondContact O-CB 3.42Å; D20-S665 PolarHBondContact O-OG 3.08Å |
| 21 | V | 89.3 | Confident | 87.7 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 17% | 0.17 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 63.9 | -45.7 | -163.4 | -163.9 | 0 | 0 | 0 | 0 | 113.1 | P16 D17 D19 R666 V669 | P16-V21 WeakPolarHBondContact CA-O 3.43Å; D17-V21 PolarHBondContact N-O 2.99Å; D17-V21 CarbonylContact O-C 3.59Å; D17-V21 WeakPolarHBondContact O-CA 3.33Å; D17-V21 PolarHBondContact O-N 2.97Å; D19-V21 VanDerWaalsContact C-N 3.33Å; V21-R666 HydrophobicContact CG2-CB 4.23Å; V21-R666 HydrophobicContact CG2-CG 3.58Å; V21-V669 HydrophobicContact CB-CG2 4.47Å; V21-V669 HydrophobicContact CG1-CG2 4.32Å; V21-V669 HydrophobicContact CG2-CG2 4.26Å |
| 22 | W | 91.1 | Very high | 87.4 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 119.8 | -176.1 | -63.7 | 105.9 | 0 | 0 | 0 | 110.7 | W14 V15 P16 D20 F61 E82 P83 | W14-W22 HydrophobicContact CB-CE3 4.17Å; W14-W22 HydrophobicContact CE3-CB 4.2Å; V15-W22 WeakPolarHBondContact O-CA 3.47Å; P16-W22 HydrophobicContact CB-CZ3 4.31Å; P16-W22 HydrophobicContact CG-CE3 4.42Å; P16-W22 HydrophobicContact CG-CH2 4.22Å; P16-W22 HydrophobicContact CG-CZ3 3.74Å; D20-W22 PolarHBondContact O-N 3.41Å; W22-F61 AromaticContact CH2-CD2 3.72Å; W22-F61 HydrophobicContact CH2-CD2 3.72Å; W22-F61 AromaticContact CH2-CE2 3.56Å; W22-F61 HydrophobicContact CH2-CE2 3.56Å; W22-F61 HydrophobicContact CZ2-CD2 4.33Å; W22-F61 HydrophobicContact CZ2-CE2 4.04Å; W22-F61 AromaticContact CZ3-CD2 3.85Å; W22-F61 HydrophobicContact CZ3-CD2 3.85Å; W22-F61 HydrophobicContact CZ3-CE2 4.17Å; W22-E82 PolarHBondContact NE1-OE1 3.39Å; W22-P83 HydrophobicContact CB-CB 3.86Å; W22-P83 HydrophobicContact CD2-CB 3.84Å; W22-P83 HydrophobicContact CD2-CG 3.78Å; W22-P83 HydrophobicContact CE3-CB 4.37Å; W22-P83 HydrophobicContact CE3-CG 4.06Å; W22-P83 HydrophobicContact CG-CB 3.58Å; W22-P83 HydrophobicContact CG-CG 4.08Å; W22-P83 HydrophobicContact CZ2-CG 4.46Å |
| 23 | K | 89.1 | Confident | 86.6 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 29% | 0.291 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 147.9 | 170.6 | -75.4 | -175.4 | -176.1 | 138.3 | 0 | 111.5 | W14 V15 D17 D20 L42 | W14-K23 WeakPolarHBondContact CA-O 3.27Å; V15-K23 WeakPolarHBondContact CG2-O 3.37Å; V15-K23 PolarHBondContact N-O 3.09Å; V15-K23 PolarHBondContact O-N 3.41Å; D17-K23 HydrophobicContact CB-CB 4.2Å; D17-K23 HydrophobicContact CB-CD 4.11Å; D17-K23 HydrophobicContact CB-CG 3.78Å; D17-K23 VanDerWaalsContact CG-CD 3.49Å; D17-K23 VanDerWaalsContact OD1-CD 3.24Å; D17-K23 WeakPolarHBondContact OD1-CD 3.37Å; D17-K23 VanDerWaalsContact OD1-CE 3.32Å; D17-K23 WeakPolarHBondContact OD1-CE 3.37Å; D17-K23 IonicContact OD1-NZ 3.69Å; D17-K23 PolarHBondContact OD1-NZ 3.06Å; D17-K23 VanDerWaalsContact OD2-CE 3.22Å; D17-K23 WeakPolarHBondContact OD2-CE 3.48Å; D17-K23 IonicContact OD2-NZ 3.84Å; D17-K23 PolarHBondContact OD2-NZ 3.35Å; D20-K23 HydrophobicContact CB-CG 3.97Å; D20-K23 WeakPolarHBondContact OD2-CE 3.5Å; D20-K23 IonicContact OD2-NZ 3.74Å; K23-L42 HydrophobicContact CB-CD2 4.49Å |
| 24 | A | 90.2 | Very high | 85.6 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.033 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 144.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V13 W14 E43 R63 | V13-A24 WeakPolarHBondContact O-CA 3.35Å; W14-A24 HydrophobicContact CE3-CB 4.06Å; W14-A24 HydrophobicContact CH2-CB 4.12Å; W14-A24 HydrophobicContact CZ3-CB 3.71Å; A24-E43 HydrophobicContact CB-CG 4.07Å; A24-R63 VanDerWaalsContact CB-NH1 3.32Å |
| 25 | A | 90.2 | Very high | 85 | Confident | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 154.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R12 V13 L40 Q41 L42 | R12-A25 CarbonylContact C-O 3.55Å; R12-A25 VanDerWaalsContact CA-O 3.28Å; R12-A25 WeakPolarHBondContact CA-O 3.46Å; V13-A25 HydrophobicContact CG2-CB 4.19Å; V13-A25 PolarHBondContact N-O 3.12Å; V13-A25 PolarHBondContact O-N 3.34Å; A25-L40 HydrophobicContact CB-CB 4.06Å; A25-L40 HydrophobicContact CB-CD1 4.07Å; A25-L40 HydrophobicContact CB-CD2 4.48Å; A25-L40 HydrophobicContact CB-CG 4.44Å; A25-Q41 CarbonylContact C-O 3.53Å; A25-Q41 VanDerWaalsContact CA-O 3.24Å; A25-Q41 WeakPolarHBondContact CA-O 3.46Å; A25-L42 HydrophobicContact CB-CD2 4.07Å |
| 26 | E | 91.4 | Very high | 84.4 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.7 | 176.5 | -167.2 | 172.3 | 121.4 | 0 | 0 | 111.6 | L10 R12 T28 L40 Q41 | L10-E26 VanDerWaalsContact CD2-OE1 3.23Å; L10-E26 WeakPolarHBondContact CD2-OE1 3.49Å; R12-E26 HydrophobicContact CG-CB 4.43Å; R12-E26 HydrophobicContact CG-CG 4.35Å; R12-E26 IonicContact NE-OE2 2.69Å; E26-T28 PolarHBondContact O-N 3.3Å; E26-L40 CarbonylContact O-C 3.58Å; E26-L40 WeakPolarHBondContact O-CA 3.4Å; E26-Q41 PolarHBondContact N-O 3.06Å; E26-Q41 PolarHBondContact O-N 3.4Å |
| 27 | I | 90.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 117.5 | 178.6 | -63.6 | 177 | 0 | 0 | 0 | 110.1 | F7 K9 L10 T11 V13 R29 L38 L40 | F7-I27 HydrophobicContact CB-CD1 3.91Å; F7-I27 HydrophobicContact CD1-CD1 3.68Å; F7-I27 HydrophobicContact CG-CD1 4.21Å; K9-I27 CarbonylContact C-O 3.42Å; K9-I27 WeakPolarHBondContact CA-O 3.35Å; L10-I27 PolarHBondContact N-O 3.07Å; T11-I27 WeakPolarHBondContact O-CB 3.37Å; T11-I27 WeakPolarHBondContact O-CG1 3.46Å; T11-I27 PolarHBondContact O-N 3.35Å; V13-I27 HydrophobicContact CG1-CD1 3.96Å; V13-I27 HydrophobicContact CG1-CG1 4.22Å; I27-R29 WeakPolarHBondContact CG2-O 3.43Å; I27-L38 HydrophobicContact CD1-CD1 4.3Å; I27-L38 HydrophobicContact CD1-CD2 4.37Å; I27-L38 HydrophobicContact CG1-CD1 4.43Å; I27-L38 HydrophobicContact CG1-CD2 4.39Å; I27-L38 HydrophobicContact CG2-CD1 4.31Å; I27-L40 HydrophobicContact CB-CD2 4.42Å; I27-L40 HydrophobicContact CG1-CD2 3.68Å |
| 28 | T | 88.4 | Confident | 84.1 | Confident | 48 Ų | 48 | 59 Ų | 59 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -85.2 | -17 | -176 | 65.2 | 0 | 0 | 0 | 0 | 114 | K9 E26 H39 Q41 | K9-T28 VanDerWaalsContact CD-O 3.25Å; K9-T28 WeakPolarHBondContact CD-O 3.47Å; K9-T28 VanDerWaalsContact CE-O 3.31Å; K9-T28 WeakPolarHBondContact CE-O 3.4Å; K9-T28 WeakPolarHBondContact CG-O 3.48Å; K9-T28 PolarHBondContact NZ-O 2.86Å; E26-T28 PolarHBondContact O-N 3.3Å; T28-H39 PolarHBondContact N-O 3.06Å; T28-H39 WeakPolarHBondContact OG1-CB 3.29Å; T28-H39 PolarHBondContact OG1-O 3.32Å; T28-Q41 HydrophobicContact CG2-CB 3.69Å |
| 29 | R | 85.6 | Confident | 84.3 | Confident | 121 Ų | 121 | 56.9 Ų | 56.9 | 46% | 0.457 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -147.5 | 137.2 | -177.7 | 160.7 | 176.2 | 163.1 | 175.7 | -1.4 | 109.4 | I27 Y31 E35 | I27-R29 WeakPolarHBondContact CG2-O 3.43Å; R29-Y31 PolarHBondContact O-N 3.18Å; R29-E35 IonicContact CZ-OE1 2.83Å; R29-E35 IonicContact NE-OE1 3.91Å; R29-E35 IonicContact NH2-OE1 2.68Å; R29-E35 PolarHBondContact NH2-OE1 2.97Å |
| 30 | D | 84.1 | Confident | 84.7 | Confident | 84 Ų | 84 | 52.8 Ų | 52.8 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | trans | -55.4 | 124.4 | 176.5 | -55.8 | -63.3 | 0 | 0 | 0 | 111.3 | T8 K9 | T8-D30 WeakPolarHBondContact CA-OD1 3.47Å; T8-D30 WeakPolarHBondContact CB-OD1 3.45Å; K9-D30 PolarHBondContact N-OD1 3.41Å | ||
| 31 | Y | 82.8 | Confident | 85 | Confident | 35 Ų | 35 | 55 Ų | 55 | 14% | 0.137 | 29% | 0.29 | C | S | . | . | trans | -69.1 | 140.1 | 175.2 | 173.7 | -112.3 | 0 | 0 | 0 | 111 | F7 R29 E35 L38 V52 L59 | F7-Y31 HydrophobicContact CB-CD1 4.17Å; F7-Y31 HydrophobicContact CB-CG 4.34Å; F7-Y31 WeakPolarHBondContact O-CB 3.32Å; F7-Y31 PolarHBondContact O-N 3.38Å; R29-Y31 PolarHBondContact O-N 3.18Å; Y31-E35 HydrophobicContact CD2-CB 4.27Å; Y31-E35 HydrophobicContact CE2-CB 4.07Å; Y31-E35 WeakPolarHBondContact CE2-O 3.36Å; Y31-L38 HydrophobicContact CD2-CD1 4.14Å; Y31-L38 HydrophobicContact CG-CD1 4.22Å; Y31-V52 HydrophobicContact CE2-CG2 4.3Å; Y31-L59 HydrophobicContact CD1-CD1 4.39Å; Y31-L59 HydrophobicContact CD1-CD2 4.42Å; Y31-L59 HydrophobicContact CE1-CD1 3.93Å; Y31-L59 HydrophobicContact CE1-CD2 4.06Å; Y31-L59 HydrophobicContact CE2-CD2 4.19Å | ||
| 32 | K | 78.8 | Confident | 84.9 | Confident | 133 Ų | 133 | 55.4 Ų | 55.4 | 58% | 0.578 | 29% | 0.291 | S | S | * | . | trans | -115.6 | 136.6 | 169.3 | -60.4 | 176.2 | -175.5 | 171 | 0 | 110.5 | G34 E35 | K32-G34 PolarHBondContact O-N 3.47Å; K32-E35 HydrophobicContact CB-CG 4.06Å; K32-E35 PolarHBondContact N-OE2 3.5Å; K32-E35 WeakPolarHBondContact O-CB 3.49Å; K32-E35 PolarHBondContact O-N 3.28Å | ||
| 33 | E | 71.3 | Confident | 84.5 | Confident | 142 Ų | 142 | 59.9 Ų | 59.9 | 66% | 0.664 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 109.4 | 179.5 | -167.1 | 164.7 | -111.6 | 0 | 0 | 110.6 | N4 | N4-E33 PolarHBondContact ND2-OE1 3.27Š|
| 34 | G | 70.6 | Confident | 84.2 | Confident | 74 Ų | 74 | 62.3 Ų | 62.3 | 76% | 0.763 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.1 | -5.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | K32 | K32-G34 PolarHBondContact O-N 3.47Š|
| 35 | E | 77.1 | Confident | 83.8 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | trans | -72 | 131.7 | 167.5 | -71.1 | 176.6 | 152.4 | 0 | 0 | 110.3 | R29 Y31 K32 V37 | R29-E35 IonicContact CZ-OE1 2.83Å; R29-E35 IonicContact NE-OE1 3.91Å; R29-E35 IonicContact NH2-OE1 2.68Å; R29-E35 PolarHBondContact NH2-OE1 2.97Å; Y31-E35 HydrophobicContact CD2-CB 4.27Å; Y31-E35 HydrophobicContact CE2-CB 4.07Å; Y31-E35 WeakPolarHBondContact CE2-O 3.36Å; K32-E35 HydrophobicContact CB-CG 4.06Å; K32-E35 PolarHBondContact N-OE2 3.5Å; K32-E35 WeakPolarHBondContact O-CB 3.49Å; K32-E35 PolarHBondContact O-N 3.28Å; E35-V37 VanDerWaalsContact C-N 3.32Å; E35-V37 PolarHBondContact O-N 3.47Å | ||
| 36 | A | 77.3 | Confident | 83.6 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 61% | 0.612 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -81.6 | -8.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V52 | A36-V52 PolarHBondContact O-N 3.35Š|
| 37 | V | 84.3 | Confident | 83.4 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 26% | 0.261 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 137.3 | -174.3 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | E35 E49 Y50 | E35-V37 VanDerWaalsContact C-N 3.32Å; E35-V37 PolarHBondContact O-N 3.47Å; V37-E49 HydrophobicContact CG1-CB 3.75Å; V37-E49 HydrophobicContact CG1-CG 4.28Å; V37-Y50 CarbonylContact C-O 3.6Å; V37-Y50 WeakPolarHBondContact CA-O 3.45Å |
| 38 | L | 84.9 | Confident | 83.2 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.4 | 171.8 | -172.5 | 69 | 0 | 0 | 0 | 108.9 | F7 I27 Y31 L40 Y50 V52 P60 | F7-L38 HydrophobicContact CD1-CD2 4.28Å; I27-L38 HydrophobicContact CD1-CD1 4.3Å; I27-L38 HydrophobicContact CD1-CD2 4.37Å; I27-L38 HydrophobicContact CG1-CD1 4.43Å; I27-L38 HydrophobicContact CG1-CD2 4.39Å; I27-L38 HydrophobicContact CG2-CD1 4.31Å; Y31-L38 HydrophobicContact CD2-CD1 4.14Å; Y31-L38 HydrophobicContact CG-CD1 4.22Å; L38-L40 HydrophobicContact CD2-CD1 4.47Å; L38-L40 HydrophobicContact CD2-CD2 3.78Å; L38-L40 HydrophobicContact CD2-CG 4.29Å; L38-L40 HydrophobicContact CG-CD2 3.88Å; L38-L40 HydrophobicContact CG-CG 4.23Å; L38-L40 PolarHBondContact O-N 3.34Å; L38-Y50 PolarHBondContact N-O 3.04Å; L38-Y50 PolarHBondContact O-N 3.4Å; L38-V52 HydrophobicContact CB-CG2 4.46Å; L38-P60 HydrophobicContact CD2-CG 3.6Å |
| 39 | H | 87.6 | Confident | 83 | Confident | 57 Ų | 57 | 75.8 Ų | 75.8 | 26% | 0.264 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 107.9 | -179.5 | -57.9 | -82.7 | 0 | 0 | 0 | 110.8 | T28 E49 | T28-H39 PolarHBondContact N-O 3.06Å; T28-H39 WeakPolarHBondContact OG1-CB 3.29Å; T28-H39 PolarHBondContact OG1-O 3.32Å; H39-E49 IonicContact CE1-OE1 3.06Å; H39-E49 PolarHBondContact CE1-OE1 2.92Å; H39-E49 IonicContact ND1-OE1 3.97Å; H39-E49 PolarHBondContact ND1-OE1 3.36Å |
| 40 | L | 90.1 | Very high | 82.9 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 162.7 | -175.8 | -62 | -179.9 | 0 | 0 | 0 | 112.1 | V13 V15 A25 E26 I27 L38 P47 L48 Y50 | V13-L40 HydrophobicContact CG2-CD1 4.04Å; V13-L40 HydrophobicContact CG2-CD2 3.69Å; V15-L40 HydrophobicContact CG1-CD1 3.48Å; V15-L40 VanDerWaalsContact CG1-CD1 3.48Å; A25-L40 HydrophobicContact CB-CB 4.06Å; A25-L40 HydrophobicContact CB-CD1 4.07Å; A25-L40 HydrophobicContact CB-CD2 4.48Å; A25-L40 HydrophobicContact CB-CG 4.44Å; E26-L40 CarbonylContact O-C 3.58Å; E26-L40 WeakPolarHBondContact O-CA 3.4Å; I27-L40 HydrophobicContact CB-CD2 4.42Å; I27-L40 HydrophobicContact CG1-CD2 3.68Å; L38-L40 HydrophobicContact CD2-CD1 4.47Å; L38-L40 HydrophobicContact CD2-CD2 3.78Å; L38-L40 HydrophobicContact CD2-CG 4.29Å; L38-L40 HydrophobicContact CG-CD2 3.88Å; L38-L40 HydrophobicContact CG-CG 4.23Å; L38-L40 PolarHBondContact O-N 3.34Å; L40-P47 WeakPolarHBondContact O-CA 3.33Å; L40-L48 WeakPolarHBondContact CA-O 3.49Å; L40-L48 HydrophobicContact CB-CB 4.31Å; L40-L48 WeakPolarHBondContact CB-O 3.5Å; L40-L48 PolarHBondContact N-O 3.45Å; L40-L48 PolarHBondContact O-N 2.97Å; L40-Y50 HydrophobicContact CD1-CG 4.32Å |
| 41 | Q | 90.7 | Very high | 82.8 | Confident | 89 Ų | 89 | 76.7 Ų | 76.7 | 42% | 0.416 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 125.8 | 165.9 | -175 | 168.1 | 22.9 | 0 | 0 | 108.8 | A25 E26 T28 G45 T46 | A25-Q41 CarbonylContact C-O 3.53Å; A25-Q41 VanDerWaalsContact CA-O 3.24Å; A25-Q41 WeakPolarHBondContact CA-O 3.46Å; E26-Q41 PolarHBondContact N-O 3.06Å; E26-Q41 PolarHBondContact O-N 3.4Å; T28-Q41 HydrophobicContact CG2-CB 3.69Å; Q41-G45 PolarHBondContact NE2-O 2.91Å; Q41-T46 WeakPolarHBondContact CA-O 3.47Å |
| 42 | L | 88.1 | Confident | 82.5 | Confident | 38 Ų | 38 | 76.6 Ų | 76.6 | 20% | 0.199 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 163.8 | 177.3 | -68.3 | 169.8 | 0 | 0 | 0 | 111 | V15 K23 A25 D44 G45 T46 L48 | V15-L42 HydrophobicContact CG2-CD2 4.01Å; K23-L42 HydrophobicContact CB-CD2 4.49Å; A25-L42 HydrophobicContact CB-CD2 4.07Å; L42-D44 WeakPolarHBondContact CB-OD1 3.37Å; L42-D44 PolarHBondContact O-N 3.01Å; L42-G45 WeakPolarHBondContact O-CA 3.37Å; L42-G45 PolarHBondContact O-N 2.95Å; L42-T46 HydrophobicContact CD1-CG2 4.49Å; L42-T46 PolarHBondContact N-O 3.44Å; L42-L48 HydrophobicContact CD1-CD2 4.45Å; L42-L48 HydrophobicContact CD2-CD2 4.27Å; L42-L48 HydrophobicContact CG-CB 4.45Å; L42-L48 HydrophobicContact CG-CD2 4.42Å |
| 43 | E | 82.8 | Confident | 81.8 | Confident | 135 Ų | 135 | 71.5 Ų | 71.5 | 63% | 0.631 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.4 | -177.2 | -69.3 | -173.4 | 145.9 | 0 | 0 | 114.3 | A24 G45 R63 | A24-E43 HydrophobicContact CB-CG 4.07Å; E43-G45 PolarHBondContact O-N 3.29Å; E43-R63 IonicContact OE1-CZ 2.74Å; E43-R63 IonicContact OE1-NH1 3.56Å; E43-R63 PolarHBondContact OE1-NH1 3.19Å; E43-R63 IonicContact OE1-NH2 2.83Å |
| 44 | D | 81 | Confident | 81.2 | Confident | 118 Ų | 118 | 70.7 Ų | 70.7 | 63% | 0.631 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -7.3 | 168.2 | 71 | -23 | 0 | 0 | 0 | 113.2 | L42 T46 | L42-D44 WeakPolarHBondContact CB-OD1 3.37Å; L42-D44 PolarHBondContact O-N 3.01Å; D44-T46 VanDerWaalsContact CG-OG1 3.24Å; D44-T46 VanDerWaalsContact OD1-CB 3.22Å; D44-T46 WeakPolarHBondContact OD1-CB 3.34Å; D44-T46 PolarHBondContact OD1-N 3.31Å; D44-T46 PolarHBondContact OD1-OG1 3.3Å; D44-T46 WeakPolarHBondContact OD2-CB 3.38Å; D44-T46 PolarHBondContact OD2-OG1 2.98Å |
| 45 | G | 81.8 | Confident | 80.3 | Confident | 34 Ų | 34 | 77.3 Ų | 77.3 | 35% | 0.351 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 92.7 | -3.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q41 L42 E43 | Q41-G45 PolarHBondContact NE2-O 2.91Å; L42-G45 WeakPolarHBondContact O-CA 3.37Å; L42-G45 PolarHBondContact O-N 2.95Å; E43-G45 PolarHBondContact O-N 3.29Å |
| 46 | T | 86.6 | Confident | 79 | Confident | 64 Ų | 64 | 79.7 Ų | 79.7 | 39% | 0.393 | 45% | 0.448 | S | S | . | . | trans | -71.3 | 126.8 | -176.5 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | Q41 L42 D44 | Q41-T46 WeakPolarHBondContact CA-O 3.47Å; L42-T46 HydrophobicContact CD1-CG2 4.49Å; L42-T46 PolarHBondContact N-O 3.44Å; D44-T46 VanDerWaalsContact CG-OG1 3.24Å; D44-T46 VanDerWaalsContact OD1-CB 3.22Å; D44-T46 WeakPolarHBondContact OD1-CB 3.34Å; D44-T46 PolarHBondContact OD1-N 3.31Å; D44-T46 PolarHBondContact OD1-OG1 3.3Å; D44-T46 WeakPolarHBondContact OD2-CB 3.38Å; D44-T46 PolarHBondContact OD2-OG1 2.98Å | ||
| 47 | P | 87.5 | Confident | 78 | Confident | 110 Ų | 110 | 82.7 Ų | 82.7 | 71% | 0.714 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 136.6 | 175.2 | 30.7 | -33.9 | 0 | 0 | 0 | 111.3 | L40 | L40-P47 WeakPolarHBondContact O-CA 3.33Å |
| 48 | L | 85.5 | Confident | 77 | Confident | 61 Ų | 61 | 82 Ų | 82 | 32% | 0.319 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130.7 | -177.7 | 177.9 | 64.7 | 0 | 0 | 0 | 110.8 | V15 L40 L42 | V15-L48 HydrophobicContact CG2-CD2 4.25Å; L40-L48 WeakPolarHBondContact CA-O 3.49Å; L40-L48 HydrophobicContact CB-CB 4.31Å; L40-L48 WeakPolarHBondContact CB-O 3.5Å; L40-L48 PolarHBondContact N-O 3.45Å; L40-L48 PolarHBondContact O-N 2.97Å; L42-L48 HydrophobicContact CD1-CD2 4.45Å; L42-L48 HydrophobicContact CD2-CD2 4.27Å; L42-L48 HydrophobicContact CG-CB 4.45Å; L42-L48 HydrophobicContact CG-CD2 4.42Å |
| 49 | E | 85.1 | Confident | 76.6 | Confident | 131 Ų | 131 | 83.4 Ų | 83.4 | 61% | 0.612 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 101.6 | 173.7 | -67 | -156.2 | 149.1 | 0 | 0 | 110.3 | V37 H39 | V37-E49 HydrophobicContact CG1-CB 3.75Å; V37-E49 HydrophobicContact CG1-CG 4.28Å; H39-E49 IonicContact CE1-OE1 3.06Å; H39-E49 PolarHBondContact CE1-OE1 2.92Å; H39-E49 IonicContact ND1-OE1 3.97Å; H39-E49 PolarHBondContact ND1-OE1 3.36Å |
| 50 | Y | 83.1 | Confident | 76.5 | Confident | 63 Ų | 63 | 81 Ų | 81 | 25% | 0.247 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 122.4 | -176.1 | -176.6 | -85.3 | 0 | 0 | 0 | 111 | V15 V37 L38 L40 P60 | V15-Y50 HydrophobicContact CB-CD2 4.42Å; V15-Y50 HydrophobicContact CB-CE2 4.46Å; V15-Y50 HydrophobicContact CG1-CD2 3.73Å; V15-Y50 HydrophobicContact CG1-CE2 4.05Å; V15-Y50 HydrophobicContact CG1-CG 4.47Å; V37-Y50 CarbonylContact C-O 3.6Å; V37-Y50 WeakPolarHBondContact CA-O 3.45Å; L38-Y50 PolarHBondContact N-O 3.04Å; L38-Y50 PolarHBondContact O-N 3.4Å; L40-Y50 HydrophobicContact CD1-CG 4.32Å; Y50-P60 HydrophobicContact CD1-CG 4.39Å; Y50-P60 HydrophobicContact CE1-CB 4.46Å; Y50-P60 HydrophobicContact CE1-CG 4.34Å |
| 51 | Q | 81.4 | Confident | 76.4 | Confident | 161 Ų | 161 | 84.4 Ų | 84.4 | 75% | 0.752 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 133.1 | -179.8 | -64.8 | -171.9 | 7.7 | 0 | 0 | 112 | ||
| 52 | V | 76.6 | Confident | 76.2 | Confident | 33 Ų | 33 | 80.6 Ų | 80.6 | 20% | 0.2 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 116.4 | -176.4 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | Y31 A36 L38 A58 L59 | Y31-V52 HydrophobicContact CE2-CG2 4.3Å; A36-V52 PolarHBondContact O-N 3.35Å; L38-V52 HydrophobicContact CB-CG2 4.46Å; V52-A58 WeakPolarHBondContact CA-O 3.46Å; V52-A58 HydrophobicContact CG1-CB 3.95Å; V52-A58 WeakPolarHBondContact CG1-O 3.21Å; V52-L59 HydrophobicContact CG1-CD2 4.16Å; V52-L59 HydrophobicContact CG2-CD2 4.12Å |
| 53 | G | 64.6 | Low | 76.3 | Confident | 27 Ų | 27 | 80.3 Ų | 80.3 | 28% | 0.278 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 160.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K55 A58 | G53-K55 PolarHBondContact O-N 2.96Å; G53-K55 VanDerWaalsContact O-N 3.13Å; G53-A58 PolarHBondContact N-O 3.19Å; G53-A58 VanDerWaalsContact N-O 3.1Å; G53-A58 WeakPolarHBondContact O-CA 3.34Å; G53-A58 WeakPolarHBondContact O-CB 3.45Å |
| 54 | P | 57.7 | Low | 76.4 | Confident | 124 Ų | 124 | 74.2 Ų | 74.2 | 81% | 0.805 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -73.9 | 105.5 | -176.7 | 28.9 | -34.6 | 0 | 0 | 0 | 113.4 | A56 | P54-A56 VanDerWaalsContact C-N 3.26Å; P54-A56 PolarHBondContact O-N 3.42Å |
| 55 | K | 53.2 | Low | 76.5 | Confident | 213 Ų | 213 | 70.9 Ų | 70.9 | 93% | 0.926 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 56 | -31.5 | 160.9 | -72.7 | -169.3 | 175.1 | -176 | 0 | 120.9 | G53 | G53-K55 PolarHBondContact O-N 2.96Å; G53-K55 VanDerWaalsContact O-N 3.13Å |
| 56 | A | 49.1 | Very low | 76.4 | Confident | 93 Ų | 93 | 73.6 Ų | 73.6 | 77% | 0.769 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -86.2 | -39 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P54 | P54-A56 VanDerWaalsContact C-N 3.26Å; P54-A56 PolarHBondContact O-N 3.42Å |
| 57 | N | 55.7 | Low | 75.8 | Confident | 138 Ų | 138 | 75.7 Ų | 75.7 | 74% | 0.738 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -153.1 | 92.5 | 167.5 | -101.5 | -29.4 | 0 | 0 | 0 | 107.2 | ||
| 58 | A | 63.6 | Low | 75.4 | Confident | 29 Ų | 29 | 71.7 Ų | 71.7 | 24% | 0.24 | 39% | 0.386 | C | S | . | . | trans | -91.9 | -32.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V52 G53 | V52-A58 WeakPolarHBondContact CA-O 3.46Å; V52-A58 HydrophobicContact CG1-CB 3.95Å; V52-A58 WeakPolarHBondContact CG1-O 3.21Å; G53-A58 PolarHBondContact N-O 3.19Å; G53-A58 VanDerWaalsContact N-O 3.1Å; G53-A58 WeakPolarHBondContact O-CA 3.34Å; G53-A58 WeakPolarHBondContact O-CB 3.45Å | ||
| 59 | L | 77.8 | Confident | 75.4 | Confident | 30 Ų | 30 | 70.5 Ų | 70.5 | 16% | 0.157 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -116.1 | 149.5 | -170.6 | -67.8 | 170.9 | 0 | 0 | 0 | 111 | N4 F7 Y31 V52 | N4-L59 WeakPolarHBondContact OD1-CD1 3.4Å; F7-L59 HydrophobicContact CD1-CD1 4.45Å; F7-L59 HydrophobicContact CD2-CD1 3.88Å; F7-L59 HydrophobicContact CE1-CB 3.83Å; F7-L59 HydrophobicContact CE1-CD1 4.35Å; F7-L59 HydrophobicContact CE1-CG 4.48Å; F7-L59 HydrophobicContact CE2-CB 4.25Å; F7-L59 HydrophobicContact CE2-CD1 3.75Å; F7-L59 HydrophobicContact CG-CD1 4.24Å; F7-L59 HydrophobicContact CZ-CB 3.66Å; F7-L59 HydrophobicContact CZ-CD1 4.01Å; F7-L59 HydrophobicContact CZ-CG 4.39Å; Y31-L59 HydrophobicContact CD1-CD1 4.39Å; Y31-L59 HydrophobicContact CD1-CD2 4.42Å; Y31-L59 HydrophobicContact CE1-CD1 3.93Å; Y31-L59 HydrophobicContact CE1-CD2 4.06Å; Y31-L59 HydrophobicContact CE2-CD2 4.19Å; V52-L59 HydrophobicContact CG1-CD2 4.16Å; V52-L59 HydrophobicContact CG2-CD2 4.12Å |
| 60 | P | 84.8 | Confident | 75.3 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.045 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 154.4 | 177.7 | 26.8 | -32.9 | 0 | 0 | 0 | 112.1 | F7 V13 W14 V15 L38 Y50 L62 | F7-P60 HydrophobicContact CE1-CG 4.3Å; F7-P60 WeakPolarHBondContact CE1-O 3.18Å; F7-P60 WeakPolarHBondContact CZ-O 3.4Å; V13-P60 HydrophobicContact CB-CB 4.18Å; V13-P60 HydrophobicContact CB-CG 4.04Å; V13-P60 HydrophobicContact CG1-CG 4.26Å; V13-P60 HydrophobicContact CG2-CB 4.32Å; V13-P60 HydrophobicContact CG2-CG 3.98Å; W14-P60 VanDerWaalsContact O-CB 3.23Å; W14-P60 WeakPolarHBondContact O-CB 3.43Å; V15-P60 HydrophobicContact CG1-CB 4.29Å; L38-P60 HydrophobicContact CD2-CG 3.6Å; Y50-P60 HydrophobicContact CD1-CG 4.39Å; Y50-P60 HydrophobicContact CE1-CB 4.46Å; Y50-P60 HydrophobicContact CE1-CG 4.34Å; P60-L62 PolarHBondContact O-N 3.12Å |
| 61 | F | 87.5 | Confident | 75.5 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 133.5 | -177.5 | -68.6 | -65.3 | 0 | 0 | 0 | 111.5 | V13 W14 W22 H81 P83 | V13-F61 CarbonylContact C-O 3.6Å; V13-F61 VanDerWaalsContact CA-O 3.24Å; V13-F61 WeakPolarHBondContact CA-O 3.44Å; W14-F61 HydrophobicContact CB-CB 4.31Å; W14-F61 PolarHBondContact N-O 3.44Å; W22-F61 AromaticContact CH2-CD2 3.72Å; W22-F61 HydrophobicContact CH2-CD2 3.72Å; W22-F61 AromaticContact CH2-CE2 3.56Å; W22-F61 HydrophobicContact CH2-CE2 3.56Å; W22-F61 HydrophobicContact CZ2-CD2 4.33Å; W22-F61 HydrophobicContact CZ2-CE2 4.04Å; W22-F61 AromaticContact CZ3-CD2 3.85Å; W22-F61 HydrophobicContact CZ3-CD2 3.85Å; W22-F61 HydrophobicContact CZ3-CE2 4.17Å; F61-H81 HydrophobicContact CD1-CB 4.24Å; F61-H81 AromaticContact CD1-CD2 3.96Å; F61-H81 HydrophobicContact CE1-CB 4.36Å; F61-P83 HydrophobicContact CB-CG 4.08Å; F61-P83 HydrophobicContact CD2-CG 3.75Å; F61-P83 HydrophobicContact CG-CG 4.17Å |
| 62 | L | 87.6 | Confident | 75.9 | Confident | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 136 | 177.6 | -69.2 | 164.2 | 0 | 0 | 0 | 111.1 | V3 L6 F7 T11 V13 P60 Y79 H81 | V3-L62 HydrophobicContact CG1-CD1 3.98Å; L6-L62 HydrophobicContact CB-CD1 3.78Å; L6-L62 HydrophobicContact CB-CD2 4.49Å; L6-L62 HydrophobicContact CD1-CD1 3.74Å; L6-L62 HydrophobicContact CG-CD1 4.4Å; F7-L62 HydrophobicContact CD1-CD2 4.25Å; F7-L62 HydrophobicContact CD2-CD2 4.34Å; F7-L62 HydrophobicContact CE1-CD2 3.88Å; F7-L62 HydrophobicContact CE1-CG 4.33Å; F7-L62 HydrophobicContact CE2-CD1 4.01Å; F7-L62 HydrophobicContact CE2-CD2 4Å; F7-L62 HydrophobicContact CE2-CG 4.04Å; F7-L62 HydrophobicContact CG-CD2 4.45Å; F7-L62 HydrophobicContact CZ-CD1 4.22Å; F7-L62 HydrophobicContact CZ-CD2 3.75Å; F7-L62 HydrophobicContact CZ-CG 3.76Å; T11-L62 HydrophobicContact CG2-CD2 3.75Å; V13-L62 HydrophobicContact CG1-CD2 4.02Å; P60-L62 PolarHBondContact O-N 3.12Å; L62-Y79 HydrophobicContact CB-CD1 4.22Å; L62-Y79 HydrophobicContact CB-CD2 3.72Å; L62-Y79 HydrophobicContact CB-CE1 4.12Å; L62-Y79 HydrophobicContact CB-CE2 3.62Å; L62-Y79 HydrophobicContact CB-CG 4.03Å; L62-Y79 HydrophobicContact CD1-CD1 4.4Å; L62-Y79 HydrophobicContact CD1-CE1 3.73Å; L62-Y79 HydrophobicContact CD1-CE2 4.39Å; L62-H81 PolarHBondContact O-CE1 3.5Å; L62-H81 PolarHBondContact O-NE2 2.95Å |
| 63 | R | 89.1 | Confident | 76.4 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 12% | 0.121 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 142.1 | 173.2 | -173.7 | 170.7 | -179.9 | -174.4 | 3.6 | 109.9 | R12 W14 A24 E43 Y79 H87 | R12-R63 HydrophobicContact CB-CB 3.85Å; R12-R63 HydrophobicContact CB-CG 4.41Å; R12-R63 PolarHBondContact O-N 2.91Å; W14-R63 HydrophobicContact CZ2-CG 3.73Å; A24-R63 VanDerWaalsContact CB-NH1 3.32Å; E43-R63 IonicContact OE1-CZ 2.74Å; E43-R63 IonicContact OE1-NH1 3.56Å; E43-R63 PolarHBondContact OE1-NH1 3.19Å; E43-R63 IonicContact OE1-NH2 2.83Å; R63-Y79 WeakPolarHBondContact O-CD2 3.5Å; R63-Y79 WeakPolarHBondContact O-CE2 3.28Å; R63-H87 PolarHBondContact NH2-CE1 3.37Å; R63-H87 PolarHBondContact NH2-NE2 3.26Å |
| 64 | N | 86.3 | Confident | 77.5 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.032 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 146.7 | 173.5 | -79 | -69.1 | 0 | 0 | 0 | 110.5 | D66 L77 S78 Y79 A84 | N64-D66 PolarHBondContact O-N 3.16Å; N64-L77 HydrophobicContact CB-CD2 4.42Å; N64-S78 PolarHBondContact OD1-N 3.4Å; N64-Y79 PolarHBondContact ND2-O 3.02Å; N64-Y79 PolarHBondContact OD1-N 2.85Å; N64-A84 VanDerWaalsContact ND2-CB 3.34Å; N64-A84 WeakPolarHBondContact ND2-CB 3.32Å |
| 65 | P | 81.8 | Confident | 78.6 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 137.7 | 168.8 | -20.9 | 33 | 0 | 0 | 0 | 110.4 | I67 L68 | P65-I67 HydrophobicContact CB-CG2 4.28Å; P65-I67 PolarHBondContact O-N 3.14Å; P65-L68 PolarHBondContact O-N 3.3Å |
| 66 | D | 79.4 | Confident | 79.8 | Confident | 91 Ų | 91 | 47.5 Ų | 47.5 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -53 | -27.2 | -171.2 | -51.7 | -10.3 | 0 | 0 | 0 | 114 | R12 N64 L68 V69 | R12-D66 IonicContact CZ-OD2 3.17Å; R12-D66 IonicContact NH1-OD1 2.68Å; R12-D66 PolarHBondContact NH1-OD1 2.94Å; R12-D66 IonicContact NH1-OD2 2.92Å; R12-D66 PolarHBondContact NH1-OD2 3.22Å; N64-D66 PolarHBondContact O-N 3.16Å; D66-L68 PolarHBondContact O-N 3.26Å; D66-V69 PolarHBondContact O-N 3.1Å; D66-V69 VanDerWaalsContact O-N 3.13Å |
| 67 | I | 75.6 | Confident | 81.5 | Confident | 108 Ų | 108 | 43.1 Ų | 43.1 | 55% | 0.554 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -64.9 | -15.4 | 175.1 | -163.1 | 172 | 0 | 0 | 0 | 114.8 | P65 | P65-I67 HydrophobicContact CB-CG2 4.28Å; P65-I67 PolarHBondContact O-N 3.14Å |
| 68 | L | 78.6 | Confident | 82.6 | Confident | 26 Ų | 26 | 36.6 Ų | 36.6 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -104.8 | 2 | 175.6 | -56 | -178.9 | 0 | 0 | 0 | 112.4 | P65 D66 E71 L77 S78 | P65-L68 PolarHBondContact O-N 3.3Å; D66-L68 PolarHBondContact O-N 3.26Å; L68-E71 WeakPolarHBondContact O-CG 3.4Å; L68-L77 HydrophobicContact CB-CD2 4.32Å; L68-L77 WeakPolarHBondContact O-CD2 3.23Å; L68-S78 VanDerWaalsContact CD1-OG 3.28Å; L68-S78 WeakPolarHBondContact CD1-OG 3.47Å |
| 69 | V | 84.4 | Confident | 83.6 | Confident | 36 Ų | 36 | 36.5 Ų | 36.5 | 22% | 0.218 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 136.2 | 177.6 | -178 | 0 | 0 | 0 | 0 | 108.3 | D66 V91 | D66-V69 PolarHBondContact O-N 3.1Å; D66-V69 VanDerWaalsContact O-N 3.13Å; V69-V91 HydrophobicContact CG1-CB 4.27Å; V69-V91 HydrophobicContact CG1-CG1 4.16Å; V69-V91 HydrophobicContact CG1-CG2 4.09Å |
| 70 | G | 83.6 | Confident | 83.9 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | -6.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N88 R92 | G70-N88 PolarHBondContact N-ND2 3.48Å; G70-R92 PolarHBondContact O-NH1 3.36Å |
| 71 | E | 87.8 | Confident | 83.9 | Confident | 80 Ų | 80 | 36.8 Ų | 36.8 | 37% | 0.374 | 20% | 0.201 | S | C | . | . | trans | -54.2 | 149.4 | 178.8 | -76.3 | -71.9 | -173.3 | 0 | 0 | 114.1 | L68 D73 A76 N88 | L68-E71 WeakPolarHBondContact O-CG 3.4Å; E71-D73 PolarHBondContact O-N 3.36Å; E71-A76 HydrophobicContact CB-CB 4.42Å; E71-N88 PolarHBondContact N-ND2 3.24Å | ||
| 72 | N | 88.9 | Confident | 84 | Confident | 50 Ų | 50 | 34.8 Ų | 34.8 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -72.3 | -22.6 | -173.7 | -86.6 | -17 | 0 | 0 | 0 | 114.8 | R92 Y102 D136 P137 | N72-R92 VanDerWaalsContact OD1-CZ 3.26Å; N72-R92 PolarHBondContact OD1-NH1 3.48Å; N72-R92 PolarHBondContact OD1-NH2 3.06Å; N72-Y102 PolarHBondContact O-N 3.44Å; N72-D136 PolarHBondContact ND2-OD1 3.15Å; N72-P137 HydrophobicContact CB-CG 3.8Å; N72-P137 WeakPolarHBondContact O-CG 3.48Å; N72-P137 WeakPolarHBondContact OD1-CD 3.16Å |
| 73 | D | 87.9 | Confident | 84.2 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -127.4 | 129.5 | 171.6 | 179.8 | 14.8 | 0 | 0 | 0 | 110.8 | E71 T75 A76 Y102 C103 G104 | E71-D73 PolarHBondContact O-N 3.36Å; D73-T75 PolarHBondContact O-N 3.44Å; D73-T75 PolarHBondContact OD1-N 3.25Å; D73-T75 WeakPolarHBondContact OD2-CB 3.22Å; D73-T75 PolarHBondContact OD2-OG1 2.93Å; D73-A76 WeakPolarHBondContact O-CB 3.41Å; D73-A76 PolarHBondContact O-N 3.32Å; D73-A76 VanDerWaalsContact O-N 3.13Å; D73-Y102 WeakPolarHBondContact CA-O 3.29Å; D73-C103 WeakPolarHBondContact OD1-CA 3.44Å; D73-C103 PolarHBondContact OD1-N 2.97Å; D73-G104 PolarHBondContact OD1-N 3.27Å |
| 74 | L | 86.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -60.1 | -23 | 175.4 | -62.5 | 175.5 | 0 | 0 | 0 | 113.2 | A76 L77 L80 V85 N88 T101 Y102 C103 I681 | L74-A76 PolarHBondContact O-N 2.94Å; L74-L77 HydrophobicContact CB-CD1 4.32Å; L74-L77 HydrophobicContact CD2-CD1 3.86Å; L74-L77 VanDerWaalsContact O-CB 3.27Å; L74-L77 WeakPolarHBondContact O-CB 3.39Å; L74-L77 VanDerWaalsContact O-CG 3.27Å; L74-L77 WeakPolarHBondContact O-CG 3.46Å; L74-L77 PolarHBondContact O-N 3.23Å; L74-L77 VanDerWaalsContact O-N 3.17Å; L74-L80 WeakPolarHBondContact O-CD1 3.44Å; L74-V85 HydrophobicContact CD1-CG1 3.81Å; L74-V85 HydrophobicContact CD1-CG2 4.34Å; L74-N88 HydrophobicContact CD2-CB 3.76Å; L74-N88 WeakPolarHBondContact CD2-OD1 3.48Å; L74-T101 HydrophobicContact CD2-CG2 4.42Å; L74-T101 HydrophobicContact CG-CG2 4.26Å; L74-Y102 WeakPolarHBondContact CG-O 3.48Å; L74-Y102 PolarHBondContact N-O 2.89Å; L74-C103 HydrophobicContact CD1-CB 4.11Å; L74-I681 HydrophobicContact CD1-CD1 4.16Å |
| 75 | T | 80.7 | Confident | 84.5 | Confident | 32 Ų | 32 | 32.9 Ų | 32.9 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -69 | -17 | 176.3 | 78.2 | 0 | 0 | 0 | 0 | 114 | D73 L77 | D73-T75 PolarHBondContact O-N 3.44Å; D73-T75 PolarHBondContact OD1-N 3.25Å; D73-T75 WeakPolarHBondContact OD2-CB 3.22Å; D73-T75 PolarHBondContact OD2-OG1 2.93Å; T75-L77 PolarHBondContact O-N 3.18Å |
| 76 | A | 79.4 | Confident | 85 | Confident | 42 Ų | 42 | 30.9 Ų | 30.9 | 35% | 0.347 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -69.8 | -18.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | E71 D73 L74 | E71-A76 HydrophobicContact CB-CB 4.42Å; D73-A76 WeakPolarHBondContact O-CB 3.41Å; D73-A76 PolarHBondContact O-N 3.32Å; D73-A76 VanDerWaalsContact O-N 3.13Å; L74-A76 PolarHBondContact O-N 2.94Å |
| 77 | L | 83.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | trans | -64.4 | 133.7 | 178.5 | -62 | 173.6 | 0 | 0 | 0 | 111 | N64 L68 L74 T75 L80 A84 N88 | N64-L77 HydrophobicContact CB-CD2 4.42Å; L68-L77 HydrophobicContact CB-CD2 4.32Å; L68-L77 WeakPolarHBondContact O-CD2 3.23Å; L74-L77 HydrophobicContact CB-CD1 4.32Å; L74-L77 HydrophobicContact CD2-CD1 3.86Å; L74-L77 VanDerWaalsContact O-CB 3.27Å; L74-L77 WeakPolarHBondContact O-CB 3.39Å; L74-L77 VanDerWaalsContact O-CG 3.27Å; L74-L77 WeakPolarHBondContact O-CG 3.46Å; L74-L77 PolarHBondContact O-N 3.23Å; L74-L77 VanDerWaalsContact O-N 3.17Å; T75-L77 PolarHBondContact O-N 3.18Å; L77-L80 HydrophobicContact CD1-CD1 4.48Å; L77-A84 HydrophobicContact CD1-CB 4.35Å; L77-N88 HydrophobicContact CD1-CB 4.4Å | ||
| 78 | S | 79.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -73.4 | -40.4 | 178.5 | -70.2 | 0 | 0 | 0 | 0 | 112.4 | N64 L68 G745 V747 A748 | N64-S78 PolarHBondContact OD1-N 3.4Å; L68-S78 VanDerWaalsContact CD1-OG 3.28Å; L68-S78 WeakPolarHBondContact CD1-OG 3.47Å; S78-G745 WeakPolarHBondContact O-CA 3.3Å; S78-G745 PolarHBondContact O-N 3.07Å; S78-V747 WeakPolarHBondContact OG-CB 3.42Å; S78-A748 PolarHBondContact OG-N 3.36Å |
| 79 | Y | 83.6 | Confident | 87.1 | Confident | 28 Ų | 28 | 22.1 Ų | 22.1 | 11% | 0.11 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -105.5 | 108.7 | 171.2 | -51.2 | -59.9 | 0 | 0 | 0 | 107.9 | L6 L62 R63 N64 A84 A748 | L6-Y79 HydrophobicContact CD1-CE1 4.24Å; L62-Y79 HydrophobicContact CB-CD1 4.22Å; L62-Y79 HydrophobicContact CB-CD2 3.72Å; L62-Y79 HydrophobicContact CB-CE1 4.12Å; L62-Y79 HydrophobicContact CB-CE2 3.62Å; L62-Y79 HydrophobicContact CB-CG 4.03Å; L62-Y79 HydrophobicContact CD1-CD1 4.4Å; L62-Y79 HydrophobicContact CD1-CE1 3.73Å; L62-Y79 HydrophobicContact CD1-CE2 4.39Å; R63-Y79 WeakPolarHBondContact O-CD2 3.5Å; R63-Y79 WeakPolarHBondContact O-CE2 3.28Å; N64-Y79 PolarHBondContact ND2-O 3.02Å; N64-Y79 PolarHBondContact OD1-N 2.85Å; Y79-A84 VanDerWaalsContact O-CB 3.26Å; Y79-A84 WeakPolarHBondContact O-CB 3.48Å; Y79-A748 HydrophobicContact CE1-CB 4.06Å; Y79-A748 HydrophobicContact CE2-CB 3.9Å; Y79-A748 WeakPolarHBondContact OH-CB 3.39Å |
| 80 | L | 84.6 | Confident | 87.6 | Confident | 15 Ų | 15 | 24.2 Ų | 24.2 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | trans | -108.6 | 95.8 | -172 | -175.1 | 57 | 0 | 0 | 0 | 108.9 | L74 L77 V85 I681 A685 P689 | L74-L80 WeakPolarHBondContact O-CD1 3.44Å; L77-L80 HydrophobicContact CD1-CD1 4.48Å; L80-V85 HydrophobicContact CD1-CG2 4.31Å; L80-I681 HydrophobicContact CD1-CG2 3.68Å; L80-I681 HydrophobicContact CD2-CG2 4.43Å; L80-I681 HydrophobicContact CG-CG2 3.66Å; L80-A685 HydrophobicContact CB-CB 4.14Å; L80-A685 HydrophobicContact CD2-CB 4.19Å; L80-A685 HydrophobicContact CG-CB 4.22Å; L80-P689 HydrophobicContact CD2-CB 3.81Å; L80-P689 HydrophobicContact CD2-CG 4.49Å | ||
| 81 | H | 85.8 | Confident | 88 | Confident | 27 Ų | 27 | 23.8 Ų | 23.8 | 13% | 0.125 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -156.1 | 169.2 | -173.7 | 55.1 | 56.9 | 0 | 0 | 0 | 110.7 | W14 F61 L62 P83 A84 V85 | W14-H81 AromaticContact CD1-CE1 3.76Å; F61-H81 HydrophobicContact CD1-CB 4.24Å; F61-H81 AromaticContact CD1-CD2 3.96Å; F61-H81 HydrophobicContact CE1-CB 4.36Å; L62-H81 PolarHBondContact O-CE1 3.5Å; L62-H81 PolarHBondContact O-NE2 2.95Å; H81-P83 WeakPolarHBondContact ND1-CD 3.43Å; H81-P83 WeakPolarHBondContact ND1-CG 3.41Å; H81-A84 WeakPolarHBondContact CE1-CB 3.39Å; H81-A84 PolarHBondContact CE1-N 3.17Å; H81-A84 WeakPolarHBondContact ND1-CB 3.39Å; H81-A84 PolarHBondContact ND1-N 3.49Å; H81-A84 VanDerWaalsContact ND1-N 3.18Å; H81-A84 PolarHBondContact O-N 3.04Å; H81-A84 VanDerWaalsContact O-N 3.14Å; H81-V85 WeakPolarHBondContact O-CG2 3.2Å; H81-V85 PolarHBondContact O-N 3.3Å; H81-V85 VanDerWaalsContact O-N 3.09Å |
| 82 | E | 88.8 | Confident | 88.3 | Confident | 34 Ų | 34 | 20.3 Ų | 20.3 | 16% | 0.159 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -49.1 | -55.7 | -173.6 | 179.4 | 178.5 | 105.1 | 0 | 0 | 114.5 | W22 A84 V85 L86 V669 R673 L678 | W22-E82 PolarHBondContact NE1-OE1 3.39Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 3.15Å; E82-V85 PolarHBondContact O-N 2.79Å; E82-L86 WeakPolarHBondContact O-CB 3.27Å; E82-L86 PolarHBondContact O-N 3.03Å; E82-V669 HydrophobicContact CG-CG1 4.31Å; E82-V669 HydrophobicContact CG-CG2 4.43Å; E82-R673 IonicContact OE1-CZ 2.6Å; E82-R673 IonicContact OE1-NH2 3.3Å; E82-R673 PolarHBondContact OE1-NH2 3.41Å; E82-R673 IonicContact OE2-CZ 3.62Å; E82-R673 VanDerWaalsContact OE2-CZ 3.25Å; E82-R673 IonicContact OE2-NE 3.44Å; E82-R673 PolarHBondContact OE2-NE 3.48Å; E82-R673 IonicContact OE2-NH2 2.76Å; E82-R673 PolarHBondContact OE2-NH2 3.3Å; E82-L678 HydrophobicContact CB-CD1 3.99Å; E82-L678 HydrophobicContact CB-CD2 4.49Å; E82-L678 HydrophobicContact CG-CD1 3.61Å; E82-L678 WeakPolarHBondContact OE2-CD1 3.12Å |
| 83 | P | 91.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.5 | -32.6 | 179.6 | 11.6 | -20.3 | 0 | 0 | 0 | 114.4 | W14 W22 F61 H81 V85 H87 | W14-P83 HydrophobicContact CB-CB 3.84Å; W14-P83 HydrophobicContact CB-CG 3.89Å; W14-P83 HydrophobicContact CD2-CB 3.8Å; W14-P83 HydrophobicContact CE3-CB 4.39Å; W14-P83 HydrophobicContact CG-CB 3.52Å; W14-P83 HydrophobicContact CG-CG 3.93Å; W22-P83 HydrophobicContact CB-CB 3.86Å; W22-P83 HydrophobicContact CD2-CB 3.84Å; W22-P83 HydrophobicContact CD2-CG 3.78Å; W22-P83 HydrophobicContact CE3-CB 4.37Å; W22-P83 HydrophobicContact CE3-CG 4.06Å; W22-P83 HydrophobicContact CG-CB 3.58Å; W22-P83 HydrophobicContact CG-CG 4.08Å; W22-P83 HydrophobicContact CZ2-CG 4.46Å; F61-P83 HydrophobicContact CB-CG 4.08Å; F61-P83 HydrophobicContact CD2-CG 3.75Å; F61-P83 HydrophobicContact CG-CG 4.17Å; H81-P83 WeakPolarHBondContact ND1-CD 3.43Å; H81-P83 WeakPolarHBondContact ND1-CG 3.41Å; P83-V85 VanDerWaalsContact C-N 3.34Å; P83-H87 VanDerWaalsContact O-CB 3.24Å; P83-H87 WeakPolarHBondContact O-CB 3.3Å; P83-H87 PolarHBondContact O-N 3.48Å |
| 84 | A | 90.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 19.3 Ų | 19.3 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N64 L77 Y79 H81 E82 N88 | N64-A84 VanDerWaalsContact ND2-CB 3.34Å; N64-A84 WeakPolarHBondContact ND2-CB 3.32Å; L77-A84 HydrophobicContact CD1-CB 4.35Å; Y79-A84 VanDerWaalsContact O-CB 3.26Å; Y79-A84 WeakPolarHBondContact O-CB 3.48Å; H81-A84 WeakPolarHBondContact CE1-CB 3.39Å; H81-A84 PolarHBondContact CE1-N 3.17Å; H81-A84 WeakPolarHBondContact ND1-CB 3.39Å; H81-A84 PolarHBondContact ND1-N 3.49Å; H81-A84 VanDerWaalsContact ND1-N 3.18Å; H81-A84 PolarHBondContact O-N 3.04Å; H81-A84 VanDerWaalsContact O-N 3.14Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 3.15Å; A84-N88 WeakPolarHBondContact O-CB 3.17Å; A84-N88 PolarHBondContact O-N 3.13Å |
| 85 | V | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.4 | -50.7 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | L74 L80 H81 E82 P83 H87 N88 L89 L672 L678 I681 | L74-V85 HydrophobicContact CD1-CG1 3.81Å; L74-V85 HydrophobicContact CD1-CG2 4.34Å; L80-V85 HydrophobicContact CD1-CG2 4.31Å; H81-V85 WeakPolarHBondContact O-CG2 3.2Å; H81-V85 PolarHBondContact O-N 3.3Å; H81-V85 VanDerWaalsContact O-N 3.09Å; E82-V85 PolarHBondContact O-N 2.79Å; P83-V85 VanDerWaalsContact C-N 3.34Å; V85-H87 VanDerWaalsContact C-N 3.33Å; V85-H87 PolarHBondContact O-N 3.27Å; V85-N88 PolarHBondContact O-N 3.04Å; V85-L89 HydrophobicContact CG1-CD1 3.89Å; V85-L89 WeakPolarHBondContact O-CB 3.45Å; V85-L89 WeakPolarHBondContact O-CG 3.37Å; V85-L89 PolarHBondContact O-N 3.46Å; V85-L672 HydrophobicContact CG1-CD1 4.27Å; V85-L678 HydrophobicContact CB-CD2 4.34Å; V85-L678 HydrophobicContact CG1-CD2 4.11Å; V85-I681 HydrophobicContact CB-CD1 4.35Å; V85-I681 HydrophobicContact CG1-CD1 3.96Å; V85-I681 HydrophobicContact CG2-CD1 3.48Å; V85-I681 VanDerWaalsContact CG2-CD1 3.48Å; V85-I681 HydrophobicContact CG2-CG2 4.01Å |
| 86 | L | 92.9 | Very high | 89.3 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57 | -46.6 | 178.4 | -176.2 | 66.8 | 0 | 0 | 0 | 111.6 | E82 R90 F663 A668 V669 L672 | E82-L86 WeakPolarHBondContact O-CB 3.27Å; E82-L86 PolarHBondContact O-N 3.03Å; L86-R90 WeakPolarHBondContact O-CB 3.31Å; L86-R90 PolarHBondContact O-N 3.24Å; L86-F663 HydrophobicContact CD1-CE1 3.91Å; L86-F663 HydrophobicContact CD1-CZ 4Å; L86-A668 HydrophobicContact CD1-CB 3.87Å; L86-V669 HydrophobicContact CB-CG2 4.49Å; L86-V669 HydrophobicContact CD1-CG2 3.74Å; L86-V669 HydrophobicContact CD2-CG2 3.55Å; L86-V669 HydrophobicContact CG-CG2 4.12Å; L86-L672 HydrophobicContact CD1-CD1 4.49Å |
| 87 | H | 91.9 | Very high | 89.9 | Confident | 36 Ų | 36 | 29.9 Ų | 29.9 | 17% | 0.167 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.9 | -44.1 | -180 | -178.5 | 52.3 | 0 | 0 | 0 | 112.7 | W14 R63 P83 V85 R90 V91 | W14-H87 HydrophobicContact CH2-CB 3.67Å; W14-H87 AromaticContact CH2-CD2 3.67Å; W14-H87 AromaticContact CH2-CG 3.43Å; W14-H87 VanDerWaalsContact CH2-CG 3.43Å; W14-H87 AromaticContact CH2-ND1 3.76Å; W14-H87 HydrophobicContact CZ2-CB 3.62Å; W14-H87 AromaticContact CZ2-CD2 3.47Å; W14-H87 VanDerWaalsContact CZ2-CD2 3.47Å; W14-H87 WeakPolarHBondContact CZ2-CD2 3.41Å; W14-H87 AromaticContact CZ2-CG 3.55Å; R63-H87 PolarHBondContact NH2-CE1 3.37Å; R63-H87 PolarHBondContact NH2-NE2 3.26Å; P83-H87 VanDerWaalsContact O-CB 3.24Å; P83-H87 WeakPolarHBondContact O-CB 3.3Å; P83-H87 PolarHBondContact O-N 3.48Å; V85-H87 VanDerWaalsContact C-N 3.33Å; V85-H87 PolarHBondContact O-N 3.27Å; H87-R90 PolarHBondContact O-N 3.13Å; H87-V91 VanDerWaalsContact CE1-CG2 3.48Å; H87-V91 WeakPolarHBondContact CE1-CG2 3.45Å; H87-V91 WeakPolarHBondContact O-CB 3.06Å; H87-V91 VanDerWaalsContact O-CG2 3.25Å; H87-V91 WeakPolarHBondContact O-CG2 3.46Å; H87-V91 PolarHBondContact O-N 3.09Å |
| 88 | N | 92.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.9 | 177.9 | -63.5 | 0 | 0 | 0 | 111 | G70 E71 L74 L77 A84 V85 V91 R92 | G70-N88 PolarHBondContact N-ND2 3.48Å; E71-N88 PolarHBondContact N-ND2 3.24Å; L74-N88 HydrophobicContact CD2-CB 3.76Å; L74-N88 WeakPolarHBondContact CD2-OD1 3.48Å; L77-N88 HydrophobicContact CD1-CB 4.4Å; A84-N88 WeakPolarHBondContact O-CB 3.17Å; A84-N88 PolarHBondContact O-N 3.13Å; V85-N88 PolarHBondContact O-N 3.04Å; N88-V91 PolarHBondContact O-N 3.42Å; N88-R92 WeakPolarHBondContact O-CG 3.38Å; N88-R92 PolarHBondContact O-N 3.09Å; N88-R92 VanDerWaalsContact OD1-CD 3.22Å; N88-R92 WeakPolarHBondContact OD1-CD 3.49Å |
| 89 | L | 93.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 176.9 | -68.6 | 174.5 | 0 | 0 | 0 | 112.2 | V85 R92 F93 T101 V108 I110 L672 | V85-L89 HydrophobicContact CG1-CD1 3.89Å; V85-L89 WeakPolarHBondContact O-CB 3.45Å; V85-L89 WeakPolarHBondContact O-CG 3.37Å; V85-L89 PolarHBondContact O-N 3.46Å; L89-R92 PolarHBondContact O-N 2.91Å; L89-F93 VanDerWaalsContact O-CB 3.24Å; L89-F93 WeakPolarHBondContact O-CB 3.36Å; L89-F93 PolarHBondContact O-N 3.02Å; L89-T101 HydrophobicContact CD2-CG2 4.06Å; L89-V108 HydrophobicContact CD1-CG1 4.29Å; L89-V108 HydrophobicContact CD2-CB 4.41Å; L89-V108 HydrophobicContact CD2-CG1 4.09Å; L89-I110 HydrophobicContact CB-CD1 4.2Å; L89-I110 HydrophobicContact CD2-CD1 4.38Å; L89-L672 HydrophobicContact CD1-CD1 4.03Å; L89-L672 HydrophobicContact CD1-CD2 3.89Å |
| 90 | R | 93.6 | Very high | 91.7 | Very high | 79 Ų | 79 | 32.4 Ų | 32.4 | 30% | 0.298 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.8 | -177.8 | 174.6 | 173.1 | 176.5 | -1.9 | 112.1 | D20 L86 H87 F93 L94 F663 S665 | D20-R90 IonicContact OD1-CZ 2.65Å; D20-R90 IonicContact OD1-NH1 3.41Å; D20-R90 PolarHBondContact OD1-NH1 3.39Å; D20-R90 IonicContact OD1-NH2 3.68Å; D20-R90 PolarHBondContact OD1-NH2 3.33Å; L86-R90 WeakPolarHBondContact O-CB 3.31Å; L86-R90 PolarHBondContact O-N 3.24Å; H87-R90 PolarHBondContact O-N 3.13Å; R90-F93 PolarHBondContact O-N 3.47Å; R90-L94 HydrophobicContact CG-CD1 3.58Å; R90-L94 HydrophobicContact CG-CG 4.21Å; R90-L94 VanDerWaalsContact O-CB 3.3Å; R90-L94 WeakPolarHBondContact O-CB 3.26Å; R90-L94 VanDerWaalsContact O-CG 3.31Å; R90-L94 WeakPolarHBondContact O-CG 3.4Å; R90-L94 PolarHBondContact O-N 3.44Å; R90-F663 HydrophobicContact CB-CD1 4.11Å; R90-F663 HydrophobicContact CB-CE1 3.79Å; R90-F663 HydrophobicContact CB-CZ 4.06Å; R90-F663 HydrophobicContact CG-CD1 3.83Å; R90-F663 HydrophobicContact CG-CE1 4.01Å; R90-F663 HydrophobicContact CG-CG 4.37Å; R90-S665 PolarHBondContact NH1-OG 3.41Å |
| 91 | V | 92.6 | Very high | 92.2 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -49.1 | 177 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | V69 H87 N88 F93 L94 E95 | V69-V91 HydrophobicContact CG1-CB 4.27Å; V69-V91 HydrophobicContact CG1-CG1 4.16Å; V69-V91 HydrophobicContact CG1-CG2 4.09Å; H87-V91 VanDerWaalsContact CE1-CG2 3.48Å; H87-V91 WeakPolarHBondContact CE1-CG2 3.45Å; H87-V91 WeakPolarHBondContact O-CB 3.06Å; H87-V91 VanDerWaalsContact O-CG2 3.25Å; H87-V91 WeakPolarHBondContact O-CG2 3.46Å; H87-V91 PolarHBondContact O-N 3.09Å; N88-V91 PolarHBondContact O-N 3.42Å; V91-F93 VanDerWaalsContact C-N 3.3Å; V91-F93 PolarHBondContact O-N 3.26Å; V91-L94 PolarHBondContact O-N 3.44Å; V91-E95 HydrophobicContact CG1-CB 4.43Å; V91-E95 HydrophobicContact CG1-CG 4.47Å; V91-E95 WeakPolarHBondContact O-CB 3.41Å; V91-E95 PolarHBondContact O-N 2.92Å |
| 92 | R | 94.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.8 | -42.2 | 178.2 | -73.5 | 178.5 | 62.2 | 85.2 | -4.3 | 112 | G70 N72 N88 L89 S96 N97 N98 Y100 T101 | G70-R92 PolarHBondContact O-NH1 3.36Å; N72-R92 VanDerWaalsContact OD1-CZ 3.26Å; N72-R92 PolarHBondContact OD1-NH1 3.48Å; N72-R92 PolarHBondContact OD1-NH2 3.06Å; N88-R92 WeakPolarHBondContact O-CG 3.38Å; N88-R92 PolarHBondContact O-N 3.09Å; N88-R92 VanDerWaalsContact OD1-CD 3.22Å; N88-R92 WeakPolarHBondContact OD1-CD 3.49Å; L89-R92 PolarHBondContact O-N 2.91Å; R92-S96 CarbonylContact O-C 3.52Å; R92-S96 WeakPolarHBondContact O-CB 3.21Å; R92-S96 PolarHBondContact O-N 3.37Å; R92-N97 PolarHBondContact O-N 2.99Å; R92-N98 HydrophobicContact CB-CB 4.18Å; R92-N98 PolarHBondContact O-N 2.99Å; R92-Y100 PolarHBondContact NH2-O 3.3Å; R92-T101 WeakPolarHBondContact CD-OG1 3.46Å; R92-T101 PolarHBondContact NE-OG1 3.49Å |
| 93 | F | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.2 | -46.5 | -179.5 | -173.1 | -108.2 | 0 | 0 | 0 | 113.3 | L89 R90 V91 N97 I99 I110 P654 F661 F663 | L89-F93 VanDerWaalsContact O-CB 3.24Å; L89-F93 WeakPolarHBondContact O-CB 3.36Å; L89-F93 PolarHBondContact O-N 3.02Å; R90-F93 PolarHBondContact O-N 3.47Å; V91-F93 VanDerWaalsContact C-N 3.3Å; V91-F93 PolarHBondContact O-N 3.26Å; F93-N97 WeakPolarHBondContact O-CA 3.3Å; F93-I99 HydrophobicContact CD2-CG2 4.19Å; F93-I99 HydrophobicContact CE2-CG2 4.07Å; F93-I110 HydrophobicContact CB-CD1 4.07Å; F93-I110 HydrophobicContact CD2-CB 3.83Å; F93-I110 HydrophobicContact CD2-CD1 4.21Å; F93-I110 HydrophobicContact CD2-CG2 3.58Å; F93-I110 HydrophobicContact CE1-CG2 4.4Å; F93-I110 HydrophobicContact CE2-CB 3.96Å; F93-I110 HydrophobicContact CE2-CG2 3.44Å; F93-I110 VanDerWaalsContact CE2-CG2 3.44Å; F93-I110 HydrophobicContact CG-CD1 4.31Å; F93-I110 HydrophobicContact CG-CG2 4.13Å; F93-I110 HydrophobicContact CZ-CG2 3.89Å; F93-P654 HydrophobicContact CE1-CB 3.96Å; F93-P654 HydrophobicContact CE1-CG 4.04Å; F93-P654 HydrophobicContact CZ-CB 4.08Å; F93-P654 HydrophobicContact CZ-CG 3.71Å; F93-F661 HydrophobicContact CD2-CD1 4.22Å; F93-F661 HydrophobicContact CD2-CE1 4.37Å; F93-F661 HydrophobicContact CE1-CD1 4.25Å; F93-F661 AromaticContact CE2-CD1 3.91Å; F93-F661 HydrophobicContact CE2-CD1 3.91Å; F93-F661 HydrophobicContact CE2-CE1 4.14Å; F93-F661 AromaticContact CZ-CD1 3.93Å; F93-F661 HydrophobicContact CZ-CD1 3.93Å; F93-F661 WeakPolarHBondContact O-CD1 3.23Å; F93-F663 HydrophobicContact CD1-CB 4.05Å; F93-F663 AromaticContact CD1-CD2 3.73Å; F93-F663 HydrophobicContact CD1-CD2 3.73Å; F93-F663 HydrophobicContact CD1-CG 4.34Å; F93-F663 HydrophobicContact CE1-CB 4.22Å; F93-F663 HydrophobicContact CE1-CD2 4.23Å; F93-F663 HydrophobicContact CG-CD2 4.34Å |
| 94 | L | 93.1 | Very high | 92 | Very high | 68 Ų | 68 | 31.1 Ų | 31.1 | 36% | 0.356 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -88.2 | -32.9 | -173.4 | -62.3 | -178.6 | 0 | 0 | 0 | 114.8 | R90 V91 F661 F663 | R90-L94 HydrophobicContact CG-CD1 3.58Å; R90-L94 HydrophobicContact CG-CG 4.21Å; R90-L94 VanDerWaalsContact O-CB 3.3Å; R90-L94 WeakPolarHBondContact O-CB 3.26Å; R90-L94 VanDerWaalsContact O-CG 3.31Å; R90-L94 WeakPolarHBondContact O-CG 3.4Å; R90-L94 PolarHBondContact O-N 3.44Å; V91-L94 PolarHBondContact O-N 3.44Å; L94-F661 WeakPolarHBondContact CD2-O 3.1Å; L94-F663 HydrophobicContact CD1-CB 4.34Å; L94-F663 HydrophobicContact CD2-CB 3.93Å; L94-F663 HydrophobicContact CG-CB 4.3Å |
| 95 | E | 90.1 | Very high | 91.6 | Very high | 146 Ų | 146 | 33.9 Ų | 33.9 | 68% | 0.682 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -102.3 | -22.2 | -173.7 | -59.2 | 178.1 | -148.6 | 0 | 0 | 112.8 | V91 | V91-E95 HydrophobicContact CG1-CB 4.43Å; V91-E95 HydrophobicContact CG1-CG 4.47Å; V91-E95 WeakPolarHBondContact O-CB 3.41Å; V91-E95 PolarHBondContact O-N 2.92Å |
| 96 | S | 87.1 | Confident | 91.5 | Very high | 66 Ų | 66 | 33.9 Ų | 33.9 | 46% | 0.462 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -122.2 | 0.6 | -178.5 | -54.3 | 0 | 0 | 0 | 0 | 114.4 | R92 N98 | R92-S96 CarbonylContact O-C 3.52Å; R92-S96 WeakPolarHBondContact O-CB 3.21Å; R92-S96 PolarHBondContact O-N 3.37Å; S96-N98 PolarHBondContact O-N 3.34Å |
| 97 | N | 91.3 | Very high | 91.6 | Very high | 85 Ų | 85 | 33.6 Ų | 33.6 | 46% | 0.455 | 18% | 0.177 | S | C | . | . | trans | 52.4 | 20.3 | -173.6 | -63.8 | 10.1 | 0 | 0 | 0 | 114.2 | R92 F93 I99 F661 | R92-N97 PolarHBondContact O-N 2.99Å; F93-N97 WeakPolarHBondContact O-CA 3.3Å; N97-I99 PolarHBondContact O-N 3.32Å; N97-F661 HydrophobicContact CB-CE1 3.73Å; N97-F661 HydrophobicContact CB-CZ 3.78Å | ||
| 98 | N | 93 | Very high | 91.7 | Very high | 69 Ų | 69 | 31.9 Ų | 31.9 | 37% | 0.369 | 17% | 0.169 | S | C | . | . | trans | -86.1 | 96.3 | -175 | -82.5 | -28.7 | 0 | 0 | 0 | 110.4 | R92 S96 Y100 | R92-N98 HydrophobicContact CB-CB 4.18Å; R92-N98 PolarHBondContact O-N 2.99Å; S96-N98 PolarHBondContact O-N 3.34Å; N98-Y100 VanDerWaalsContact C-N 3.3Å; N98-Y100 PolarHBondContact O-N 3.48Å | ||
| 99 | I | 96.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | trans | -73.5 | -16.8 | -177.2 | 65 | 162.5 | 0 | 0 | 0 | 114.9 | F93 N97 I110 P112 L116 I118 Y119 F661 | F93-I99 HydrophobicContact CD2-CG2 4.19Å; F93-I99 HydrophobicContact CE2-CG2 4.07Å; N97-I99 PolarHBondContact O-N 3.32Å; I99-I110 WeakPolarHBondContact CB-O 3.34Å; I99-I110 PolarHBondContact O-N 3.5Å; I99-P112 HydrophobicContact CD1-CG 4.43Å; I99-P112 HydrophobicContact CG2-CB 3.78Å; I99-P112 HydrophobicContact CG2-CG 4.04Å; I99-L116 HydrophobicContact CD1-CD1 4.16Å; I99-L116 HydrophobicContact CG1-CD1 4.32Å; I99-L116 HydrophobicContact CG2-CD1 3.8Å; I99-I118 HydrophobicContact CD1-CD1 3.9Å; I99-I118 HydrophobicContact CG1-CD1 4.17Å; I99-Y119 WeakPolarHBondContact CD1-OH 3.47Å; I99-F661 HydrophobicContact CG2-CE1 4.12Å; I99-F661 HydrophobicContact CG2-CZ 4.48Å | ||
| 100 | Y | 96.6 | Very high | 92 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.4 | -175.1 | -72.7 | -61.6 | 0 | 0 | 0 | 111 | R92 N98 L107 V108 A109 I118 Y119 P137 H138 I139 | R92-Y100 PolarHBondContact NH2-O 3.3Å; N98-Y100 VanDerWaalsContact C-N 3.3Å; N98-Y100 PolarHBondContact O-N 3.48Å; Y100-L107 HydrophobicContact CD1-CD1 3.96Å; Y100-L107 HydrophobicContact CD1-CD2 3.83Å; Y100-L107 HydrophobicContact CD1-CG 4Å; Y100-L107 HydrophobicContact CE1-CD2 3.99Å; Y100-L107 HydrophobicContact CG-CD1 4.4Å; Y100-V108 WeakPolarHBondContact CA-O 3.46Å; Y100-A109 HydrophobicContact CD1-CB 3.74Å; Y100-A109 HydrophobicContact CE1-CB 3.5Å; Y100-I118 HydrophobicContact CD2-CD1 4.39Å; Y100-I118 HydrophobicContact CE2-CD1 4.06Å; Y100-Y119 HydrophobicContact CE2-CE1 4.27Å; Y100-Y119 PolarHBondContact OH-OH 3.03Å; Y100-Y119 VanDerWaalsContact OH-OH 3.09Å; Y100-P137 WeakPolarHBondContact CB-O 3.37Å; Y100-H138 AromaticContact CD2-CD2 3.36Å; Y100-H138 WeakPolarHBondContact CD2-CD2 3.45Å; Y100-H138 AromaticContact CD2-NE2 3.98Å; Y100-H138 AromaticContact CE2-CD2 3.34Å; Y100-H138 WeakPolarHBondContact CE2-CD2 3.27Å; Y100-H138 AromaticContact CE2-NE2 3.49Å; Y100-H138 WeakPolarHBondContact CE2-NE2 3.48Å; Y100-I139 HydrophobicContact CE1-CB 4.18Å; Y100-I139 HydrophobicContact CE2-CG2 4.43Å; Y100-I139 WeakPolarHBondContact OH-CG2 3.32Å |
| 101 | T | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 138.7 | 177.4 | -48 | 0 | 0 | 0 | 0 | 109.5 | L74 L89 R92 V108 | L74-T101 HydrophobicContact CD2-CG2 4.42Å; L74-T101 HydrophobicContact CG-CG2 4.26Å; L89-T101 HydrophobicContact CD2-CG2 4.06Å; R92-T101 WeakPolarHBondContact CD-OG1 3.46Å; R92-T101 PolarHBondContact NE-OG1 3.49Å; T101-V108 PolarHBondContact N-O 2.95Å; T101-V108 WeakPolarHBondContact O-CB 3.32Å; T101-V108 PolarHBondContact O-N 3.37Å |
| 102 | Y | 91.9 | Very high | 92.1 | Very high | 17 Ų | 17 | 29.9 Ų | 29.9 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 154.2 | 173 | -64.3 | -55.2 | 0 | 0 | 0 | 112 | N72 D73 L74 V106 L107 M132 P137 A141 | N72-Y102 PolarHBondContact O-N 3.44Å; D73-Y102 WeakPolarHBondContact CA-O 3.29Å; L74-Y102 WeakPolarHBondContact CG-O 3.48Å; L74-Y102 PolarHBondContact N-O 2.89Å; Y102-V106 CarbonylContact C-O 3.41Å; Y102-V106 WeakPolarHBondContact CA-O 3.3Å; Y102-L107 HydrophobicContact CD1-CD1 3.95Å; Y102-L107 HydrophobicContact CE1-CD1 3.92Å; Y102-M132 HydrophobicContact CE1-CE 4.45Å; Y102-M132 HydrophobicContact CE1-CG 4.07Å; Y102-M132 HydrophobicContact CE1-SD 4.2Å; Y102-M132 HydrophobicContact CE2-CG 4.45Å; Y102-M132 WeakPolarHBondContact CE2-O 3.38Å; Y102-M132 WeakPolarHBondContact OH-CG 3.28Å; Y102-M132 PolarHBondContact OH-O 3.15Å; Y102-M132 VanDerWaalsContact OH-O 3.04Å; Y102-P137 HydrophobicContact CD1-CB 4.31Å; Y102-P137 HydrophobicContact CD2-CB 3.89Å; Y102-P137 HydrophobicContact CD2-CG 3.67Å; Y102-P137 HydrophobicContact CE1-CB 4.23Å; Y102-P137 HydrophobicContact CE2-CB 3.81Å; Y102-P137 HydrophobicContact CE2-CG 3.8Å; Y102-P137 HydrophobicContact CG-CB 4.14Å; Y102-P137 HydrophobicContact CG-CG 4.24Å; Y102-A141 WeakPolarHBondContact OH-CB 3.38Å |
| 103 | C | 87.3 | Confident | 91.9 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 70.9 | 172.3 | 174.9 | 0 | 0 | 0 | 0 | 107.2 | D73 L74 I105 V106 V108 I681 | D73-C103 WeakPolarHBondContact OD1-CA 3.44Å; D73-C103 PolarHBondContact OD1-N 2.97Å; L74-C103 HydrophobicContact CD1-CB 4.11Å; C103-I105 PolarHBondContact O-N 3.44Å; C103-V106 HydrophobicContact CB-CB 4.17Å; C103-V106 PolarHBondContact N-O 3.21Å; C103-V106 PolarHBondContact O-N 3.41Å; C103-V108 HydrophobicContact CB-CG2 4.14Å; C103-I681 VanDerWaalsContact SG-CD1 3.56Å; C103-I681 WeakPolarHBondContact SG-CG1 3.48Å |
| 104 | G | 81.5 | Confident | 91.7 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 27% | 0.268 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | -114.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D73 V106 | D73-G104 PolarHBondContact OD1-N 3.27Å; G104-V106 PolarHBondContact O-N 3.33Å |
| 105 | I | 82.1 | Confident | 91.5 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 32% | 0.323 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 0.6 | -179.6 | 74.7 | 168.3 | 0 | 0 | 0 | 114.2 | C103 V470 L473 Y648 | C103-I105 PolarHBondContact O-N 3.44Å; I105-V470 HydrophobicContact CD1-CB 4.48Å; I105-V470 HydrophobicContact CD1-CG2 3.61Å; I105-V470 HydrophobicContact CG1-CG2 4.23Å; I105-L473 HydrophobicContact CD1-CD1 3.91Å; I105-L473 HydrophobicContact CG2-CD1 3.9Å; I105-Y648 HydrophobicContact CD1-CD2 4.27Å |
| 106 | V | 90 | Very high | 91.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.6 | -171.4 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | Y102 C103 G104 F466 R650 | Y102-V106 CarbonylContact C-O 3.41Å; Y102-V106 WeakPolarHBondContact CA-O 3.3Å; C103-V106 HydrophobicContact CB-CB 4.17Å; C103-V106 PolarHBondContact N-O 3.21Å; C103-V106 PolarHBondContact O-N 3.41Å; G104-V106 PolarHBondContact O-N 3.33Å; V106-F466 HydrophobicContact CG2-CE2 3.6Å; V106-F466 HydrophobicContact CG2-CZ 3.75Å; V106-R650 HydrophobicContact CG1-CB 4.31Å; V106-R650 HydrophobicContact CG1-CG 3.48Å; V106-R650 VanDerWaalsContact CG1-CG 3.48Å |
| 107 | L | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117.9 | 167.1 | -177.6 | 67.1 | 0 | 0 | 0 | 109.7 | Y100 Y102 P137 I139 V142 Y648 V649 R650 | Y100-L107 HydrophobicContact CD1-CD1 3.96Å; Y100-L107 HydrophobicContact CD1-CD2 3.83Å; Y100-L107 HydrophobicContact CD1-CG 4Å; Y100-L107 HydrophobicContact CE1-CD2 3.99Å; Y100-L107 HydrophobicContact CG-CD1 4.4Å; Y102-L107 HydrophobicContact CD1-CD1 3.95Å; Y102-L107 HydrophobicContact CE1-CD1 3.92Å; L107-P137 HydrophobicContact CD1-CB 4.11Å; L107-I139 HydrophobicContact CD2-CB 4.29Å; L107-I139 HydrophobicContact CD2-CD1 4.27Å; L107-V142 HydrophobicContact CB-CG2 3.88Å; L107-V142 HydrophobicContact CD2-CG2 3.82Å; L107-V142 HydrophobicContact CG-CG2 4.39Å; L107-Y648 PolarHBondContact N-O 2.88Å; L107-V649 HydrophobicContact CB-CG2 4.45Å; L107-V649 HydrophobicContact CD2-CG1 4.44Å; L107-V649 WeakPolarHBondContact O-CA 3.35Å; L107-R650 PolarHBondContact O-N 3.22Å |
| 108 | V | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.6 | 166.1 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | L89 Y100 T101 C103 I110 R650 I652 | L89-V108 HydrophobicContact CD1-CG1 4.29Å; L89-V108 HydrophobicContact CD2-CB 4.41Å; L89-V108 HydrophobicContact CD2-CG1 4.09Å; Y100-V108 WeakPolarHBondContact CA-O 3.46Å; T101-V108 PolarHBondContact N-O 2.95Å; T101-V108 WeakPolarHBondContact O-CB 3.32Å; T101-V108 PolarHBondContact O-N 3.37Å; C103-V108 HydrophobicContact CB-CG2 4.14Å; V108-I110 HydrophobicContact CG1-CG1 4.43Å; V108-R650 WeakPolarHBondContact CA-O 3.46Å; V108-I652 HydrophobicContact CG1-CG1 3.99Å |
| 109 | A | 96.3 | Very high | 91.8 | Very high | 6 Ų | 6 | 40 Ų | 40 | 5% | 0.05 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 114.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y100 V649 R650 C651 I652 | Y100-A109 HydrophobicContact CD1-CB 3.74Å; Y100-A109 HydrophobicContact CE1-CB 3.5Å; A109-V649 HydrophobicContact CB-CG1 4.38Å; A109-R650 PolarHBondContact N-O 3.06Å; A109-C651 CarbonylContact O-C 3.46Å; A109-C651 VanDerWaalsContact O-CA 3.29Å; A109-C651 WeakPolarHBondContact O-CA 3.24Å; A109-I652 PolarHBondContact O-N 3.02Å |
| 110 | I | 96.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.9 | -178.6 | -53 | 170.6 | 0 | 0 | 0 | 108.6 | L89 F93 I99 V108 P112 I652 P654 F663 | L89-I110 HydrophobicContact CB-CD1 4.2Å; L89-I110 HydrophobicContact CD2-CD1 4.38Å; F93-I110 HydrophobicContact CB-CD1 4.07Å; F93-I110 HydrophobicContact CD2-CB 3.83Å; F93-I110 HydrophobicContact CD2-CD1 4.21Å; F93-I110 HydrophobicContact CD2-CG2 3.58Å; F93-I110 HydrophobicContact CE1-CG2 4.4Å; F93-I110 HydrophobicContact CE2-CB 3.96Å; F93-I110 HydrophobicContact CE2-CG2 3.44Å; F93-I110 VanDerWaalsContact CE2-CG2 3.44Å; F93-I110 HydrophobicContact CG-CD1 4.31Å; F93-I110 HydrophobicContact CG-CG2 4.13Å; F93-I110 HydrophobicContact CZ-CG2 3.89Å; I99-I110 WeakPolarHBondContact CB-O 3.34Å; I99-I110 PolarHBondContact O-N 3.5Å; V108-I110 HydrophobicContact CG1-CG1 4.43Å; I110-P112 VanDerWaalsContact O-CD 3.23Å; I110-P112 WeakPolarHBondContact O-CD 3.44Å; I110-I652 WeakPolarHBondContact CA-O 3.32Å; I110-I652 HydrophobicContact CG1-CB 4.42Å; I110-P654 HydrophobicContact CG2-CB 3.66Å; I110-P654 HydrophobicContact CG2-CG 3.82Å; I110-F663 HydrophobicContact CD1-CE2 4.36Å |
| 111 | N | 94.1 | Very high | 91 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | trans | -69.3 | 114.4 | -179.4 | -177 | 1.1 | 0 | 0 | 0 | 111.1 | Y113 G166 I652 P654 | N111-Y113 VanDerWaalsContact C-N 3.27Å; N111-Y113 WeakPolarHBondContact ND2-CE1 3.4Å; N111-Y113 PolarHBondContact O-N 3.15Å; N111-Y113 PolarHBondContact OD1-N 3.36Å; N111-Y113 VanDerWaalsContact OD1-N 3.08Å; N111-G166 PolarHBondContact ND2-O 3.43Å; N111-I652 PolarHBondContact N-O 3.22Å; N111-P654 VanDerWaalsContact O-CD 3.28Å; N111-P654 WeakPolarHBondContact O-CD 3.41Å; N111-P654 WeakPolarHBondContact O-CG 3.25Å | ||
| 112 | P | 93.8 | Very high | 90.8 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | trans | -71.1 | -19 | -179.3 | 27.6 | -34 | 0 | 0 | 0 | 114.4 | I99 I110 E114 L116 A660 F661 | I99-P112 HydrophobicContact CD1-CG 4.43Å; I99-P112 HydrophobicContact CG2-CB 3.78Å; I99-P112 HydrophobicContact CG2-CG 4.04Å; I110-P112 VanDerWaalsContact O-CD 3.23Å; I110-P112 WeakPolarHBondContact O-CD 3.44Å; P112-E114 WeakPolarHBondContact CG-O 3.39Å; P112-E114 PolarHBondContact O-N 3.44Å; P112-E114 VanDerWaalsContact O-N 3.15Å; P112-L116 HydrophobicContact CB-CD1 4.19Å; P112-L116 HydrophobicContact CG-CD1 4.1Å; P112-L116 HydrophobicContact CG-CG 4.31Å; P112-A660 WeakPolarHBondContact O-CA 3.5Å; P112-F661 HydrophobicContact CB-CE1 4.08Å; P112-F661 HydrophobicContact CB-CE2 4.11Å; P112-F661 HydrophobicContact CB-CZ 3.8Å; P112-F661 PolarHBondContact O-N 2.9Å | ||
| 113 | Y | 90.8 | Very high | 90.8 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 57.5 | 10.2 | -163.5 | -70.7 | -71.5 | 0 | 0 | 0 | 115.6 | N111 K653 K658 | N111-Y113 VanDerWaalsContact C-N 3.27Å; N111-Y113 WeakPolarHBondContact ND2-CE1 3.4Å; N111-Y113 PolarHBondContact O-N 3.15Å; N111-Y113 PolarHBondContact OD1-N 3.36Å; N111-Y113 VanDerWaalsContact OD1-N 3.08Å; Y113-K653 WeakPolarHBondContact OH-CE 3.35Å; Y113-K653 WeakPolarHBondContact OH-CG 3.49Å; Y113-K658 WeakPolarHBondContact CB-O 3.24Å; Y113-K658 HydrophobicContact CD1-CB 3.86Å; Y113-K658 HydrophobicContact CE1-CB 3.74Å; Y113-K658 HydrophobicContact CE1-CG 3.93Å; Y113-K658 HydrophobicContact CG-CB 4.39Å |
| 114 | E | 90.9 | Very high | 91 | Very high | 108 Ų | 108 | 55.2 Ų | 55.2 | 51% | 0.505 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -127.1 | 154.3 | 177.5 | -164.7 | -179.5 | 149.8 | 0 | 0 | 111.4 | P112 L116 A660 F661 | P112-E114 WeakPolarHBondContact CG-O 3.39Å; P112-E114 PolarHBondContact O-N 3.44Å; P112-E114 VanDerWaalsContact O-N 3.15Å; E114-L116 PolarHBondContact O-N 3.36Å; E114-A660 HydrophobicContact CB-CB 4.35Å; E114-F661 HydrophobicContact CB-CD2 4.49Å; E114-F661 HydrophobicContact CB-CE2 4.13Å; E114-F661 WeakPolarHBondContact OE2-CD2 3.47Å; E114-F661 WeakPolarHBondContact OE2-CE2 3.2Å |
| 115 | Q | 88.6 | Confident | 91.4 | Very high | 186 Ų | 186 | 58.7 Ų | 58.7 | 87% | 0.869 | 30% | 0.296 | S | S | * | . | trans | -86.3 | 106.8 | 176.6 | -67.6 | -167.7 | 11.9 | 0 | 0 | 111.9 | ||||
| 116 | L | 90.9 | Very high | 91.8 | Very high | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | trans | -93 | 141 | -179 | -52.5 | -178.1 | 0 | 0 | 0 | 112.3 | I99 P112 E114 I118 Y119 F661 | I99-L116 HydrophobicContact CD1-CD1 4.16Å; I99-L116 HydrophobicContact CG1-CD1 4.32Å; I99-L116 HydrophobicContact CG2-CD1 3.8Å; P112-L116 HydrophobicContact CB-CD1 4.19Å; P112-L116 HydrophobicContact CG-CD1 4.1Å; P112-L116 HydrophobicContact CG-CG 4.31Å; E114-L116 PolarHBondContact O-N 3.36Å; L116-I118 HydrophobicContact CB-CD1 4.12Å; L116-I118 HydrophobicContact CB-CG1 4.02Å; L116-I118 HydrophobicContact CB-CG2 4.43Å; L116-I118 HydrophobicContact CD1-CD1 4.16Å; L116-I118 PolarHBondContact O-N 3.36Å; L116-Y119 WeakPolarHBondContact O-CD2 3.48Å; L116-F661 HydrophobicContact CD1-CZ 4.02Å; L116-F661 HydrophobicContact CD2-CE2 3.9Å; L116-F661 HydrophobicContact CD2-CZ 3.78Å; L116-F661 HydrophobicContact CG-CZ 4.47Å | ||
| 117 | Q | 90.8 | Very high | 91.9 | Very high | 180 Ų | 180 | 58.9 Ų | 58.9 | 84% | 0.841 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 32.9 | -179.1 | -60.9 | -62.2 | -19.4 | 0 | 0 | 113.9 | ||
| 118 | I | 92.5 | Very high | 91.7 | Very high | 52 Ų | 52 | 61 Ų | 61 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -1.6 | -178.1 | 65.3 | -176.7 | 0 | 0 | 0 | 113.3 | I99 Y100 L116 V123 H138 | I99-I118 HydrophobicContact CD1-CD1 3.9Å; I99-I118 HydrophobicContact CG1-CD1 4.17Å; Y100-I118 HydrophobicContact CD2-CD1 4.39Å; Y100-I118 HydrophobicContact CE2-CD1 4.06Å; L116-I118 HydrophobicContact CB-CD1 4.12Å; L116-I118 HydrophobicContact CB-CG1 4.02Å; L116-I118 HydrophobicContact CB-CG2 4.43Å; L116-I118 HydrophobicContact CD1-CD1 4.16Å; L116-I118 PolarHBondContact O-N 3.36Å; I118-V123 WeakPolarHBondContact O-CG1 3.48Å; I118-H138 PolarHBondContact O-CE1 3.26Å |
| 119 | Y | 92.8 | Very high | 91 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 12% | 0.122 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -111.4 | 18.8 | -175.2 | -52.8 | -69.3 | 0 | 0 | 0 | 113.9 | I99 Y100 L116 H138 I139 F140 Y175 R178 | I99-Y119 WeakPolarHBondContact CD1-OH 3.47Å; Y100-Y119 HydrophobicContact CE2-CE1 4.27Å; Y100-Y119 PolarHBondContact OH-OH 3.03Å; Y100-Y119 VanDerWaalsContact OH-OH 3.09Å; L116-Y119 WeakPolarHBondContact O-CD2 3.48Å; Y119-H138 AromaticContact CD1-CE1 3.96Å; Y119-H138 AromaticContact CE1-CE1 4Å; Y119-H138 AromaticContact CE1-NE2 3.79Å; Y119-I139 HydrophobicContact CE1-CG2 4.16Å; Y119-F140 HydrophobicContact CD1-CZ 4.09Å; Y119-Y175 AromaticContact CD1-CD1 3.82Å; Y119-Y175 HydrophobicContact CD1-CD1 3.82Å; Y119-Y175 AromaticContact CD1-CD2 3.53Å; Y119-Y175 HydrophobicContact CD1-CD2 3.53Å; Y119-Y175 AromaticContact CD1-CE1 3.88Å; Y119-Y175 HydrophobicContact CD1-CE1 3.88Å; Y119-Y175 AromaticContact CD1-CE2 3.56Å; Y119-Y175 HydrophobicContact CD1-CE2 3.56Å; Y119-Y175 AromaticContact CD1-CG 3.67Å; Y119-Y175 HydrophobicContact CD1-CG 3.67Å; Y119-Y175 AromaticContact CD1-CZ 3.75Å; Y119-Y175 HydrophobicContact CD2-CD2 4.47Å; Y119-Y175 HydrophobicContact CD2-CE1 4.14Å; Y119-Y175 AromaticContact CD2-CE2 3.65Å; Y119-Y175 HydrophobicContact CD2-CE2 3.65Å; Y119-Y175 AromaticContact CD2-CZ 3.46Å; Y119-Y175 VanDerWaalsContact CD2-CZ 3.46Å; Y119-Y175 WeakPolarHBondContact CD2-OH 3.48Å; Y119-Y175 HydrophobicContact CE1-CD1 4.48Å; Y119-Y175 AromaticContact CE1-CD2 3.35Å; Y119-Y175 HydrophobicContact CE1-CD2 3.35Å; Y119-Y175 AromaticContact CE1-CE2 3.45Å; Y119-Y175 HydrophobicContact CE1-CE2 3.45Å; Y119-Y175 VanDerWaalsContact CE1-CE2 3.45Å; Y119-Y175 AromaticContact CE1-CG 3.92Å; Y119-Y175 HydrophobicContact CE1-CG 3.92Å; Y119-Y175 HydrophobicContact CE2-CD2 4.32Å; Y119-Y175 AromaticContact CE2-CE2 3.54Å; Y119-Y175 HydrophobicContact CE2-CE2 3.54Å; Y119-Y175 AromaticContact CE2-CZ 3.85Å; Y119-Y175 HydrophobicContact CG-CD1 4.01Å; Y119-Y175 HydrophobicContact CG-CD2 4.09Å; Y119-Y175 AromaticContact CG-CE1 3.6Å; Y119-Y175 HydrophobicContact CG-CE1 3.6Å; Y119-Y175 AromaticContact CG-CE2 3.64Å; Y119-Y175 HydrophobicContact CG-CE2 3.64Å; Y119-Y175 HydrophobicContact CG-CG 4.26Å; Y119-Y175 AromaticContact CG-CZ 3.38Å; Y119-Y175 AromaticContact CZ-CD2 3.77Å; Y119-Y175 AromaticContact CZ-CE2 3.42Å; Y119-Y175 VanDerWaalsContact CZ-CE2 3.42Å; Y119-R178 PolarHBondContact O-NH1 2.82Å |
| 120 | G | 89.1 | Confident | 90.4 | Very high | 31 Ų | 31 | 67 Ų | 67 | 32% | 0.32 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -75.6 | 161.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E122 V123 I124 | G120-E122 VanDerWaalsContact C-N 3.28Å; G120-E122 PolarHBondContact O-N 3.07Å; G120-V123 WeakPolarHBondContact O-CB 3.23Å; G120-V123 PolarHBondContact O-N 2.98Å; G120-I124 PolarHBondContact O-N 3.49Å; G120-I124 VanDerWaalsContact O-N 3.08Å |
| 121 | E | 87.4 | Confident | 89.5 | Confident | 113 Ų | 113 | 70.8 Ų | 70.8 | 53% | 0.528 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.8 | -27.7 | -179.9 | -77.1 | 160.9 | -153.6 | 0 | 0 | 112.8 | V123 I124 T125 R178 | E121-V123 VanDerWaalsContact C-N 3.28Å; E121-V123 PolarHBondContact O-N 3.14Å; E121-I124 HydrophobicContact CG-CD1 4.44Å; E121-I124 PolarHBondContact O-N 3.48Å; E121-T125 WeakPolarHBondContact O-CB 3.48Å; E121-T125 PolarHBondContact O-N 3.23Å; E121-T125 PolarHBondContact O-OG1 3.06Å; E121-R178 IonicContact OE1-CZ 3.05Å; E121-R178 IonicContact OE1-NH2 3.79Å; E121-R178 PolarHBondContact OE1-NH2 2.99Å |
| 122 | E | 90.3 | Very high | 88.6 | Confident | 175 Ų | 175 | 71.9 Ų | 71.9 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -57.4 | -42.1 | 168.3 | -61.7 | 179 | -171.4 | 0 | 0 | 111.4 | G120 T125 A126 | G120-E122 VanDerWaalsContact C-N 3.28Å; G120-E122 PolarHBondContact O-N 3.07Å; E122-T125 PolarHBondContact O-N 2.94Å; E122-A126 WeakPolarHBondContact O-CB 3.24Å; E122-A126 PolarHBondContact O-N 2.8Å |
| 123 | V | 92.7 | Very high | 87.6 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 22% | 0.224 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -72.9 | -42.8 | 179.1 | -169.8 | 0 | 0 | 0 | 0 | 110.6 | I118 G120 E121 T125 A126 Y127 F140 | I118-V123 WeakPolarHBondContact O-CG1 3.48Å; G120-V123 WeakPolarHBondContact O-CB 3.23Å; G120-V123 PolarHBondContact O-N 2.98Å; E121-V123 VanDerWaalsContact C-N 3.28Å; E121-V123 PolarHBondContact O-N 3.14Å; V123-T125 VanDerWaalsContact C-N 3.26Å; V123-T125 PolarHBondContact O-N 3.02Å; V123-A126 PolarHBondContact O-N 3.41Å; V123-A126 VanDerWaalsContact O-N 3.11Å; V123-Y127 HydrophobicContact CG1-CD2 3.8Å; V123-Y127 HydrophobicContact CG1-CE2 3.66Å; V123-Y127 WeakPolarHBondContact O-CD2 3.29Å; V123-Y127 PolarHBondContact O-N 2.99Å; V123-Y127 VanDerWaalsContact O-N 3.09Å; V123-F140 HydrophobicContact CB-CE2 4.34Å; V123-F140 HydrophobicContact CG1-CD2 4.15Å; V123-F140 HydrophobicContact CG1-CE2 4.25Å |
| 124 | I | 91.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -54 | -46.6 | 172.2 | -66 | 174.3 | 0 | 0 | 0 | 110.3 | G120 E121 A126 Y127 S128 F140 R178 Y179 T182 V183 | G120-I124 PolarHBondContact O-N 3.49Å; G120-I124 VanDerWaalsContact O-N 3.08Å; E121-I124 HydrophobicContact CG-CD1 4.44Å; E121-I124 PolarHBondContact O-N 3.48Å; I124-A126 VanDerWaalsContact C-N 3.34Å; I124-A126 PolarHBondContact O-N 3.25Å; I124-Y127 PolarHBondContact O-N 3.16Å; I124-S128 PolarHBondContact O-N 3.05Å; I124-F140 HydrophobicContact CB-CE2 4.49Å; I124-F140 HydrophobicContact CD1-CE2 4.42Å; I124-F140 HydrophobicContact CD1-CZ 4.05Å; I124-F140 HydrophobicContact CG1-CD2 3.97Å; I124-F140 HydrophobicContact CG1-CE1 4.12Å; I124-F140 HydrophobicContact CG1-CE2 3.44Å; I124-F140 VanDerWaalsContact CG1-CE2 3.44Å; I124-F140 HydrophobicContact CG1-CZ 3.52Å; I124-R178 HydrophobicContact CD1-CG 4.4Å; I124-Y179 HydrophobicContact CB-CD2 4.32Å; I124-Y179 HydrophobicContact CB-CE2 4.46Å; I124-Y179 HydrophobicContact CG1-CD2 4.23Å; I124-Y179 HydrophobicContact CG2-CD2 3.76Å; I124-Y179 HydrophobicContact CG2-CE2 3.84Å; I124-T182 HydrophobicContact CG2-CG2 4Å; I124-V183 HydrophobicContact CG2-CG2 3.91Å |
| 125 | T | 89.1 | Confident | 86.7 | Confident | 100 Ų | 100 | 74.6 Ų | 74.6 | 61% | 0.613 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64 | -37.3 | 178.3 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | E121 E122 V123 S128 | E121-T125 WeakPolarHBondContact O-CB 3.48Å; E121-T125 PolarHBondContact O-N 3.23Å; E121-T125 PolarHBondContact O-OG1 3.06Å; E122-T125 PolarHBondContact O-N 2.94Å; V123-T125 VanDerWaalsContact C-N 3.26Å; V123-T125 PolarHBondContact O-N 3.02Å; T125-S128 PolarHBondContact O-N 3.32Å |
| 126 | A | 90.7 | Very high | 86.8 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.1 | -34 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | E122 V123 I124 Q130 M135 | E122-A126 WeakPolarHBondContact O-CB 3.24Å; E122-A126 PolarHBondContact O-N 2.8Å; V123-A126 PolarHBondContact O-N 3.41Å; V123-A126 VanDerWaalsContact O-N 3.11Å; I124-A126 VanDerWaalsContact C-N 3.34Å; I124-A126 PolarHBondContact O-N 3.25Å; A126-Q130 WeakPolarHBondContact O-CG 3.18Å; A126-M135 HydrophobicContact CB-CE 4.38Å |
| 127 | Y | 92.2 | Very high | 87 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 8% | 0.078 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -78.5 | -26.5 | 175.2 | -80.9 | -86.2 | 0 | 0 | 0 | 113.1 | V123 I124 G129 Q130 M135 D136 H138 F140 A141 | V123-Y127 HydrophobicContact CG1-CD2 3.8Å; V123-Y127 HydrophobicContact CG1-CE2 3.66Å; V123-Y127 WeakPolarHBondContact O-CD2 3.29Å; V123-Y127 PolarHBondContact O-N 2.99Å; V123-Y127 VanDerWaalsContact O-N 3.09Å; I124-Y127 PolarHBondContact O-N 3.16Å; Y127-G129 PolarHBondContact O-N 2.87Å; Y127-Q130 WeakPolarHBondContact O-CB 3.26Å; Y127-Q130 PolarHBondContact O-N 3.35Å; Y127-Q130 VanDerWaalsContact O-N 3.15Å; Y127-M135 HydrophobicContact CD1-CB 3.98Å; Y127-M135 HydrophobicContact CD1-CE 4.21Å; Y127-M135 HydrophobicContact CD1-CG 4.23Å; Y127-M135 HydrophobicContact CD2-CE 4.3Å; Y127-M135 HydrophobicContact CE1-CB 3.5Å; Y127-M135 HydrophobicContact CE1-CE 4.11Å; Y127-M135 HydrophobicContact CE1-CG 4.2Å; Y127-M135 HydrophobicContact CE2-CE 4.19Å; Y127-M135 HydrophobicContact CG-CE 4.3Å; Y127-D136 WeakPolarHBondContact CE1-O 3.21Å; Y127-D136 PolarHBondContact OH-O 3.5Å; Y127-D136 VanDerWaalsContact OH-O 3.08Å; Y127-H138 HydrophobicContact CE1-CB 3.81Å; Y127-H138 HydrophobicContact CE2-CB 4.04Å; Y127-F140 HydrophobicContact CD2-CB 4.13Å; Y127-F140 HydrophobicContact CD2-CD2 4.25Å; Y127-F140 HydrophobicContact CG-CB 3.98Å; Y127-A141 HydrophobicContact CD1-CB 3.81Å; Y127-A141 HydrophobicContact CE1-CB 3.89Å |
| 128 | S | 89.7 | Confident | 87.2 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 131.6 | -178.4 | -167.1 | 0 | 0 | 0 | 0 | 112.7 | I124 T125 Q130 Y179 | I124-S128 PolarHBondContact O-N 3.05Å; T125-S128 PolarHBondContact O-N 3.32Å; S128-Q130 PolarHBondContact O-N 3.2Å; S128-Y179 VanDerWaalsContact CA-OH 3.25Å; S128-Y179 WeakPolarHBondContact CA-OH 3.44Å; S128-Y179 PolarHBondContact N-OH 3.43Å |
| 129 | G | 80.9 | Confident | 87.4 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 49% | 0.485 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | -21.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y127 E144 K148 | Y127-G129 PolarHBondContact O-N 2.87Å; G129-E144 VanDerWaalsContact CA-OE1 3.32Å; G129-E144 WeakPolarHBondContact CA-OE1 3.48Å; G129-E144 PolarHBondContact N-OE1 2.91Å; G129-K148 PolarHBondContact O-NZ 3.02Å |
| 130 | Q | 83.4 | Confident | 87.5 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 41% | 0.407 | 34% | 0.339 | S | S | . | . | trans | -71.4 | 165 | -176.3 | -51.5 | -53.2 | -25.8 | 0 | 0 | 112.4 | A126 Y127 S128 M135 K148 | A126-Q130 WeakPolarHBondContact O-CG 3.18Å; Y127-Q130 WeakPolarHBondContact O-CB 3.26Å; Y127-Q130 PolarHBondContact O-N 3.35Å; Y127-Q130 VanDerWaalsContact O-N 3.15Å; S128-Q130 PolarHBondContact O-N 3.2Å; Q130-M135 HydrophobicContact CB-CG 3.69Å; Q130-M135 HydrophobicContact CB-SD 4.49Å; Q130-M135 HydrophobicContact CG-CG 3.96Å; Q130-M135 HydrophobicContact CG-SD 4.12Å; Q130-K148 VanDerWaalsContact C-NZ 3.3Å; Q130-K148 PolarHBondContact O-NZ 3.08Å | ||
| 131 | N | 76.4 | Confident | 87.7 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | trans | -96.6 | 146.3 | 174.7 | -46 | -59.4 | 0 | 0 | 0 | 110.1 | G133 D134 K148 | N131-G133 PolarHBondContact O-N 2.69Å; N131-D134 WeakPolarHBondContact CB-OD2 3.47Å; N131-D134 PolarHBondContact ND2-OD2 3.2Å; N131-D134 PolarHBondContact O-N 3.35Å; N131-K148 PolarHBondContact OD1-NZ 2.93Å | ||
| 132 | M | 76.6 | Confident | 88.1 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 28% | 0.281 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -26.1 | -171.9 | -167 | -178 | 80.4 | 0 | 0 | 115.1 | Y102 A141 E145 | Y102-M132 HydrophobicContact CE1-CE 4.45Å; Y102-M132 HydrophobicContact CE1-CG 4.07Å; Y102-M132 HydrophobicContact CE1-SD 4.2Å; Y102-M132 HydrophobicContact CE2-CG 4.45Å; Y102-M132 WeakPolarHBondContact CE2-O 3.38Å; Y102-M132 WeakPolarHBondContact OH-CG 3.28Å; Y102-M132 PolarHBondContact OH-O 3.15Å; Y102-M132 VanDerWaalsContact OH-O 3.04Å; M132-A141 HydrophobicContact CG-CB 4.17Å; M132-E145 HydrophobicContact CB-CB 4.4Å; M132-E145 HydrophobicContact SD-CB 4.44Å |
| 133 | G | 71.8 | Confident | 88.3 | Confident | 70 Ų | 70 | 42.1 Ų | 42.1 | 72% | 0.722 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -2.4 | 179 | 0 | 0 | 0 | 0 | 0 | 116.1 | N131 | N131-G133 PolarHBondContact O-N 2.69Š|
| 134 | D | 77.3 | Confident | 88.3 | Confident | 115 Ų | 115 | 40.8 Ų | 40.8 | 62% | 0.615 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -9.3 | 175 | -63.9 | -36 | 0 | 0 | 0 | 112.1 | N131 | N131-D134 WeakPolarHBondContact CB-OD2 3.47Å; N131-D134 PolarHBondContact ND2-OD2 3.2Å; N131-D134 PolarHBondContact O-N 3.35Å |
| 135 | M | 87 | Confident | 88.2 | Confident | 58 Ų | 58 | 42.2 Ų | 42.2 | 29% | 0.286 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -123.8 | 163 | -178.9 | -64.5 | -70.2 | -72.6 | 0 | 0 | 110.5 | A126 Y127 Q130 | A126-M135 HydrophobicContact CB-CE 4.38Å; Y127-M135 HydrophobicContact CD1-CB 3.98Å; Y127-M135 HydrophobicContact CD1-CE 4.21Å; Y127-M135 HydrophobicContact CD1-CG 4.23Å; Y127-M135 HydrophobicContact CD2-CE 4.3Å; Y127-M135 HydrophobicContact CE1-CB 3.5Å; Y127-M135 HydrophobicContact CE1-CE 4.11Å; Y127-M135 HydrophobicContact CE1-CG 4.2Å; Y127-M135 HydrophobicContact CE2-CE 4.19Å; Y127-M135 HydrophobicContact CG-CE 4.3Å; Q130-M135 HydrophobicContact CB-CG 3.69Å; Q130-M135 HydrophobicContact CB-SD 4.49Å; Q130-M135 HydrophobicContact CG-CG 3.96Å; Q130-M135 HydrophobicContact CG-SD 4.12Å |
| 136 | D | 90.2 | Very high | 88.4 | Confident | 95 Ų | 95 | 37.4 Ų | 37.4 | 51% | 0.508 | 23% | 0.231 | S | C | . | . | trans | -63.1 | 157.7 | 174.7 | -73.8 | -56.9 | 0 | 0 | 0 | 112.7 | N72 Y127 H138 | N72-D136 PolarHBondContact ND2-OD1 3.15Å; Y127-D136 WeakPolarHBondContact CE1-O 3.21Å; Y127-D136 PolarHBondContact OH-O 3.5Å; Y127-D136 VanDerWaalsContact OH-O 3.08Å; D136-H138 PolarHBondContact O-N 2.98Å | ||
| 137 | P | 94.7 | Very high | 88.4 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -61.7 | 123.9 | 178.7 | -21.3 | 32 | 0 | 0 | 0 | 111.7 | N72 Y100 Y102 L107 | N72-P137 HydrophobicContact CB-CG 3.8Å; N72-P137 WeakPolarHBondContact O-CG 3.48Å; N72-P137 WeakPolarHBondContact OD1-CD 3.16Å; Y100-P137 WeakPolarHBondContact CB-O 3.37Å; Y102-P137 HydrophobicContact CD1-CB 4.31Å; Y102-P137 HydrophobicContact CD2-CB 3.89Å; Y102-P137 HydrophobicContact CD2-CG 3.67Å; Y102-P137 HydrophobicContact CE1-CB 4.23Å; Y102-P137 HydrophobicContact CE2-CB 3.81Å; Y102-P137 HydrophobicContact CE2-CG 3.8Å; Y102-P137 HydrophobicContact CG-CB 4.14Å; Y102-P137 HydrophobicContact CG-CG 4.24Å; L107-P137 HydrophobicContact CD1-CB 4.11Å |
| 138 | H | 95.6 | Very high | 88.1 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | trans | -153.5 | 154.6 | 178.2 | -156.4 | -114.7 | 0 | 0 | 0 | 112.6 | Y100 I118 Y119 Y127 D136 F140 A141 V142 | Y100-H138 AromaticContact CD2-CD2 3.36Å; Y100-H138 WeakPolarHBondContact CD2-CD2 3.45Å; Y100-H138 AromaticContact CD2-NE2 3.98Å; Y100-H138 AromaticContact CE2-CD2 3.34Å; Y100-H138 WeakPolarHBondContact CE2-CD2 3.27Å; Y100-H138 AromaticContact CE2-NE2 3.49Å; Y100-H138 WeakPolarHBondContact CE2-NE2 3.48Å; I118-H138 PolarHBondContact O-CE1 3.26Å; Y119-H138 AromaticContact CD1-CE1 3.96Å; Y119-H138 AromaticContact CE1-CE1 4Å; Y119-H138 AromaticContact CE1-NE2 3.79Å; Y127-H138 HydrophobicContact CE1-CB 3.81Å; Y127-H138 HydrophobicContact CE2-CB 4.04Å; D136-H138 PolarHBondContact O-N 2.98Å; H138-F140 AromaticContact CE1-CD2 3.34Å; H138-F140 WeakPolarHBondContact CE1-CD2 3.38Å; H138-F140 AromaticContact CE1-CE2 3.54Å; H138-F140 AromaticContact CE1-CG 3.71Å; H138-F140 WeakPolarHBondContact ND1-CB 3.26Å; H138-F140 AromaticContact ND1-CD2 3.21Å; H138-F140 WeakPolarHBondContact ND1-CD2 3.41Å; H138-F140 AromaticContact ND1-CE2 3.91Å; H138-F140 AromaticContact ND1-CG 3.29Å; H138-F140 VanDerWaalsContact ND1-CG 3.29Å; H138-F140 WeakPolarHBondContact ND1-CG 3.48Å; H138-F140 PolarHBondContact ND1-N 3.1Å; H138-F140 PolarHBondContact O-N 3.3Å; H138-A141 WeakPolarHBondContact O-CB 3.37Å; H138-A141 PolarHBondContact O-N 2.94Å; H138-V142 PolarHBondContact O-N 3.48Å | ||
| 139 | I | 96 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.2 | -30.2 | 173.5 | -172.8 | 60.1 | 0 | 0 | 0 | 112.2 | Y100 L107 Y119 V142 A143 A176 V649 | Y100-I139 HydrophobicContact CE1-CB 4.18Å; Y100-I139 HydrophobicContact CE2-CG2 4.43Å; Y100-I139 WeakPolarHBondContact OH-CG2 3.32Å; L107-I139 HydrophobicContact CD2-CB 4.29Å; L107-I139 HydrophobicContact CD2-CD1 4.27Å; Y119-I139 HydrophobicContact CE1-CG2 4.16Å; I139-V142 PolarHBondContact O-N 2.95Å; I139-A143 PolarHBondContact O-N 3.39Å; I139-A143 VanDerWaalsContact O-N 3.09Å; I139-A176 HydrophobicContact CG1-CB 4.36Å; I139-V649 HydrophobicContact CD1-CG1 4.36Å; I139-V649 HydrophobicContact CD1-CG2 3.83Å |
| 140 | F | 95.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69 | -33.1 | 174.3 | -61.4 | -22.4 | 0 | 0 | 0 | 113.1 | Y119 V123 I124 Y127 H138 V142 A143 E144 Y179 | Y119-F140 HydrophobicContact CD1-CZ 4.09Å; V123-F140 HydrophobicContact CB-CE2 4.34Å; V123-F140 HydrophobicContact CG1-CD2 4.15Å; V123-F140 HydrophobicContact CG1-CE2 4.25Å; I124-F140 HydrophobicContact CB-CE2 4.49Å; I124-F140 HydrophobicContact CD1-CE2 4.42Å; I124-F140 HydrophobicContact CD1-CZ 4.05Å; I124-F140 HydrophobicContact CG1-CD2 3.97Å; I124-F140 HydrophobicContact CG1-CE1 4.12Å; I124-F140 HydrophobicContact CG1-CE2 3.44Å; I124-F140 VanDerWaalsContact CG1-CE2 3.44Å; I124-F140 HydrophobicContact CG1-CZ 3.52Å; Y127-F140 HydrophobicContact CD2-CB 4.13Å; Y127-F140 HydrophobicContact CD2-CD2 4.25Å; Y127-F140 HydrophobicContact CG-CB 3.98Å; H138-F140 AromaticContact CE1-CD2 3.34Å; H138-F140 WeakPolarHBondContact CE1-CD2 3.38Å; H138-F140 AromaticContact CE1-CE2 3.54Å; H138-F140 AromaticContact CE1-CG 3.71Å; H138-F140 WeakPolarHBondContact ND1-CB 3.26Å; H138-F140 AromaticContact ND1-CD2 3.21Å; H138-F140 WeakPolarHBondContact ND1-CD2 3.41Å; H138-F140 AromaticContact ND1-CE2 3.91Å; H138-F140 AromaticContact ND1-CG 3.29Å; H138-F140 VanDerWaalsContact ND1-CG 3.29Å; H138-F140 WeakPolarHBondContact ND1-CG 3.48Å; H138-F140 PolarHBondContact ND1-N 3.1Å; H138-F140 PolarHBondContact O-N 3.3Å; F140-V142 VanDerWaalsContact C-N 3.35Å; F140-A143 PolarHBondContact O-N 2.96Å; F140-E144 WeakPolarHBondContact O-CB 3.46Å; F140-E144 PolarHBondContact O-N 3.26Å; F140-Y179 HydrophobicContact CB-CD2 3.56Å; F140-Y179 HydrophobicContact CB-CE2 3.73Å; F140-Y179 HydrophobicContact CB-CG 4.38Å; F140-Y179 AromaticContact CD1-CD2 3.55Å; F140-Y179 HydrophobicContact CD1-CD2 3.55Å; F140-Y179 HydrophobicContact CD1-CG 4.01Å; F140-Y179 HydrophobicContact CD2-CD2 4.27Å; F140-Y179 HydrophobicContact CE1-CD2 4.3Å; F140-Y179 AromaticContact CG-CD2 3.54Å; F140-Y179 HydrophobicContact CG-CD2 3.54Å; F140-Y179 HydrophobicContact CG-CE2 4.11Å; F140-Y179 HydrophobicContact CG-CG 4.39Å |
| 141 | A | 93.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.8 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y102 Y127 M132 H138 E145 | Y102-A141 WeakPolarHBondContact OH-CB 3.38Å; Y127-A141 HydrophobicContact CD1-CB 3.81Å; Y127-A141 HydrophobicContact CE1-CB 3.89Å; M132-A141 HydrophobicContact CG-CB 4.17Å; H138-A141 WeakPolarHBondContact O-CB 3.37Å; H138-A141 PolarHBondContact O-N 2.94Å; A141-E145 WeakPolarHBondContact O-CB 3.41Å; A141-E145 PolarHBondContact O-N 2.99Å |
| 142 | V | 94.6 | Very high | 88.7 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.4 | -39.1 | 173.6 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | L107 H138 I139 F140 A146 I159 H647 V649 | L107-V142 HydrophobicContact CB-CG2 3.88Å; L107-V142 HydrophobicContact CD2-CG2 3.82Å; L107-V142 HydrophobicContact CG-CG2 4.39Å; H138-V142 PolarHBondContact O-N 3.48Å; I139-V142 PolarHBondContact O-N 2.95Å; F140-V142 VanDerWaalsContact C-N 3.35Å; V142-A146 WeakPolarHBondContact O-CB 3.34Å; V142-A146 PolarHBondContact O-N 3.38Å; V142-I159 HydrophobicContact CG1-CD1 4.46Å; V142-H647 HydrophobicContact CG1-CB 3.89Å; V142-V649 HydrophobicContact CG1-CG2 4.38Å |
| 143 | A | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | I139 F140 A146 Y147 Y179 F180 | I139-A143 PolarHBondContact O-N 3.39Å; I139-A143 VanDerWaalsContact O-N 3.09Å; F140-A143 PolarHBondContact O-N 2.96Å; A143-A146 PolarHBondContact O-N 3.43Å; A143-Y147 WeakPolarHBondContact O-CB 3.28Å; A143-Y147 PolarHBondContact O-N 3.31Å; A143-Y179 HydrophobicContact CB-CD1 3.43Å; A143-Y179 VanDerWaalsContact CB-CD1 3.43Å; A143-Y179 HydrophobicContact CB-CE1 4.14Å; A143-Y179 HydrophobicContact CB-CG 3.83Å; A143-F180 HydrophobicContact CB-CE1 4.02Å; A143-F180 HydrophobicContact CB-CE2 4.38Å; A143-F180 HydrophobicContact CB-CZ 3.83Å; A143-F180 VanDerWaalsContact O-CE1 3.23Å; A143-F180 WeakPolarHBondContact O-CE1 3.41Å |
| 144 | E | 92.8 | Very high | 89.8 | Confident | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 176.6 | -176.1 | 59.5 | -170.1 | 0 | 0 | 112.4 | G129 F140 A146 Y147 K148 Y179 | G129-E144 VanDerWaalsContact CA-OE1 3.32Å; G129-E144 WeakPolarHBondContact CA-OE1 3.48Å; G129-E144 PolarHBondContact N-OE1 2.91Å; F140-E144 WeakPolarHBondContact O-CB 3.46Å; F140-E144 PolarHBondContact O-N 3.26Å; E144-A146 VanDerWaalsContact C-N 3.32Å; E144-A146 PolarHBondContact O-N 3.27Å; E144-Y147 PolarHBondContact O-N 3.14Å; E144-Y147 VanDerWaalsContact O-N 3.16Å; E144-K148 HydrophobicContact CG-CD 3.74Å; E144-K148 HydrophobicContact CG-CG 4.33Å; E144-K148 WeakPolarHBondContact O-CB 3.28Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 2.98Å; E144-K148 VanDerWaalsContact OE1-CD 3.3Å; E144-K148 WeakPolarHBondContact OE1-CD 3.5Å; E144-Y179 HydrophobicContact CB-CE1 3.97Å; E144-Y179 WeakPolarHBondContact CB-OH 3.1Å; E144-Y179 VanDerWaalsContact CD-OH 3.31Å; E144-Y179 WeakPolarHBondContact OE2-CE1 3.38Å; E144-Y179 PolarHBondContact OE2-OH 2.88Å |
| 145 | E | 90.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 177 | -174.4 | 61 | -153.8 | 0 | 0 | 110.8 | M132 A141 Y147 K148 Q149 R152 | M132-E145 HydrophobicContact CB-CB 4.4Å; M132-E145 HydrophobicContact SD-CB 4.44Å; A141-E145 WeakPolarHBondContact O-CB 3.41Å; A141-E145 PolarHBondContact O-N 2.99Å; E145-Y147 PolarHBondContact O-N 3.38Å; E145-K148 PolarHBondContact O-N 3.27Å; E145-Q149 HydrophobicContact CG-CG 4.26Å; E145-Q149 VanDerWaalsContact O-CB 3.26Å; E145-Q149 WeakPolarHBondContact O-CB 3.27Å; E145-Q149 WeakPolarHBondContact O-CG 3.26Å; E145-Q149 PolarHBondContact O-N 3.09Å; E145-Q149 VanDerWaalsContact OE1-CG 3.3Å; E145-Q149 WeakPolarHBondContact OE1-CG 3.37Å; E145-Q149 PolarHBondContact OE1-NE2 3.06Å; E145-R152 IonicContact OE1-NH1 3.25Å |
| 146 | A | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V142 A143 E144 Q149 M150 Q157 I159 F180 I434 | V142-A146 WeakPolarHBondContact O-CB 3.34Å; V142-A146 PolarHBondContact O-N 3.38Å; A143-A146 PolarHBondContact O-N 3.43Å; E144-A146 VanDerWaalsContact C-N 3.32Å; E144-A146 PolarHBondContact O-N 3.27Å; A146-Q149 PolarHBondContact O-N 3.26Å; A146-M150 WeakPolarHBondContact O-CB 3.42Å; A146-M150 PolarHBondContact O-N 3.3Å; A146-Q157 HydrophobicContact CB-CB 4.4Å; A146-Q157 WeakPolarHBondContact O-CG 3.42Å; A146-I159 HydrophobicContact CB-CD1 4.3Å; A146-I159 HydrophobicContact CB-CG1 4.41Å; A146-F180 HydrophobicContact CB-CZ 4.44Å; A146-I434 HydrophobicContact CB-CD1 4.33Å; A146-I434 HydrophobicContact CB-CG2 4.5Å |
| 147 | Y | 90.8 | Very high | 90.9 | Very high | 39 Ų | 39 | 36 Ų | 36 | 15% | 0.153 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -45.8 | 177.6 | -171 | -116.2 | 0 | 0 | 0 | 112.2 | A143 E144 E145 M150 A151 V183 F228 Y232 I434 | A143-Y147 WeakPolarHBondContact O-CB 3.28Å; A143-Y147 PolarHBondContact O-N 3.31Å; E144-Y147 PolarHBondContact O-N 3.14Å; E144-Y147 VanDerWaalsContact O-N 3.16Å; E145-Y147 PolarHBondContact O-N 3.38Å; Y147-M150 HydrophobicContact CD2-CE 3.67Å; Y147-M150 HydrophobicContact CE2-CE 3.89Å; Y147-M150 PolarHBondContact O-N 3.12Å; Y147-A151 PolarHBondContact O-N 3.06Å; Y147-V183 HydrophobicContact CD1-CG1 4.11Å; Y147-V183 HydrophobicContact CE1-CG1 3.91Å; Y147-F228 HydrophobicContact CD2-CE1 4.33Å; Y147-F228 HydrophobicContact CE2-CD1 4.36Å; Y147-F228 AromaticContact CE2-CE1 3.98Å; Y147-F228 HydrophobicContact CE2-CE1 3.98Å; Y147-Y232 PolarHBondContact OH-O 2.82Å; Y147-I434 HydrophobicContact CD2-CD1 4.38Å |
| 148 | K | 87.2 | Confident | 90.9 | Very high | 50 Ų | 50 | 35.6 Ų | 35.6 | 22% | 0.217 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.9 | -71.7 | 172 | 66.1 | 166 | 0 | 112 | G129 Q130 N131 E144 E145 A151 R152 | G129-K148 PolarHBondContact O-NZ 3.02Å; Q130-K148 VanDerWaalsContact C-NZ 3.3Å; Q130-K148 PolarHBondContact O-NZ 3.08Å; N131-K148 PolarHBondContact OD1-NZ 2.93Å; E144-K148 HydrophobicContact CG-CD 3.74Å; E144-K148 HydrophobicContact CG-CG 4.33Å; E144-K148 WeakPolarHBondContact O-CB 3.28Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 2.98Å; E144-K148 VanDerWaalsContact OE1-CD 3.3Å; E144-K148 WeakPolarHBondContact OE1-CD 3.5Å; E145-K148 PolarHBondContact O-N 3.27Å; K148-A151 PolarHBondContact O-N 3.08Å; K148-R152 WeakPolarHBondContact O-CB 3.32Å; K148-R152 PolarHBondContact O-N 3.3Å |
| 149 | Q | 84.8 | Confident | 90.9 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 176.3 | -73.2 | -170.8 | 13.9 | 0 | 0 | 112.7 | E145 A146 A151 R152 D153 H647 | E145-Q149 HydrophobicContact CG-CG 4.26Å; E145-Q149 VanDerWaalsContact O-CB 3.26Å; E145-Q149 WeakPolarHBondContact O-CB 3.27Å; E145-Q149 WeakPolarHBondContact O-CG 3.26Å; E145-Q149 PolarHBondContact O-N 3.09Å; E145-Q149 VanDerWaalsContact OE1-CG 3.3Å; E145-Q149 WeakPolarHBondContact OE1-CG 3.37Å; E145-Q149 PolarHBondContact OE1-NE2 3.06Å; A146-Q149 PolarHBondContact O-N 3.26Å; Q149-A151 VanDerWaalsContact C-N 3.29Å; Q149-A151 PolarHBondContact O-N 2.84Å; Q149-R152 PolarHBondContact O-N 3.17Å; Q149-D153 WeakPolarHBondContact O-CB 3.43Å; Q149-D153 PolarHBondContact O-N 3.4Å; Q149-H647 PolarHBondContact OE1-CE1 2.78Å; Q149-H647 PolarHBondContact OE1-NE2 2.9Å |
| 150 | M | 91 | Very high | 90.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 174.3 | -178.9 | 179.6 | 57.1 | 0 | 0 | 111.7 | A146 Y147 E154 K155 Q157 F228 Y232 S432 I434 | A146-M150 WeakPolarHBondContact O-CB 3.42Å; A146-M150 PolarHBondContact O-N 3.3Å; Y147-M150 HydrophobicContact CD2-CE 3.67Å; Y147-M150 HydrophobicContact CE2-CE 3.89Å; Y147-M150 PolarHBondContact O-N 3.12Å; M150-E154 PolarHBondContact O-N 2.93Å; M150-K155 WeakPolarHBondContact CA-O 3.45Å; M150-Q157 HydrophobicContact CB-CG 3.84Å; M150-F228 HydrophobicContact CE-CB 4.26Å; M150-F228 HydrophobicContact CE-CD1 4.11Å; M150-F228 HydrophobicContact CE-CD2 3.65Å; M150-F228 HydrophobicContact CE-CE1 4.31Å; M150-F228 HydrophobicContact CE-CE2 3.93Å; M150-F228 HydrophobicContact CE-CG 3.74Å; M150-F228 HydrophobicContact CE-CZ 4.23Å; M150-F228 HydrophobicContact SD-CB 4.38Å; M150-F228 HydrophobicContact SD-CD2 3.6Å; M150-F228 HydrophobicContact SD-CE2 4.1Å; M150-F228 HydrophobicContact SD-CG 4.11Å; M150-Y232 HydrophobicContact CE-CD1 4.02Å; M150-S432 PolarHBondContact SD-OG 2.73Å; M150-I434 HydrophobicContact CE-CD1 4Å; M150-I434 HydrophobicContact CE-CG1 4.21Å; M150-I434 HydrophobicContact SD-CD1 4.26Å; M150-I434 HydrophobicContact SD-CG1 3.81Å |
| 151 | A | 83.6 | Confident | 90.6 | Very high | 40 Ų | 40 | 35.4 Ų | 35.4 | 33% | 0.331 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -78.1 | -32.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y147 K148 Q149 Y232 | Y147-A151 PolarHBondContact O-N 3.06Å; K148-A151 PolarHBondContact O-N 3.08Å; Q149-A151 VanDerWaalsContact C-N 3.29Å; Q149-A151 PolarHBondContact O-N 2.84Å; A151-Y232 HydrophobicContact CB-CD1 4.37Å; A151-Y232 HydrophobicContact CB-CD2 4.02Å; A151-Y232 HydrophobicContact CB-CE1 4.08Å; A151-Y232 HydrophobicContact CB-CE2 3.69Å; A151-Y232 HydrophobicContact CB-CG 4.35Å |
| 152 | R | 83.4 | Confident | 90.3 | Very high | 151 Ų | 151 | 35.4 Ų | 35.4 | 57% | 0.57 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -78.3 | -43 | -178.2 | -173.1 | -171 | 72.4 | -147.4 | -0.9 | 113.2 | E145 K148 Q149 | E145-R152 IonicContact OE1-NH1 3.25Å; K148-R152 WeakPolarHBondContact O-CB 3.32Å; K148-R152 PolarHBondContact O-N 3.3Å; Q149-R152 PolarHBondContact O-N 3.17Å |
| 153 | D | 83.9 | Confident | 89.9 | Confident | 60 Ų | 60 | 35.2 Ų | 35.2 | 32% | 0.321 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -106.2 | 5.2 | -168.6 | -57.3 | -21.1 | 0 | 0 | 0 | 112.9 | Q149 K155 | Q149-D153 WeakPolarHBondContact O-CB 3.43Å; Q149-D153 PolarHBondContact O-N 3.4Å; D153-K155 HydrophobicContact CB-CD 4.46Å; D153-K155 WeakPolarHBondContact O-CG 3.44Å; D153-K155 PolarHBondContact O-N 3.07Å; D153-K155 VanDerWaalsContact O-N 3.13Å |
| 154 | E | 86.8 | Confident | 89.3 | Confident | 159 Ų | 159 | 36.1 Ų | 36.1 | 74% | 0.743 | 17% | 0.169 | S | C | * | . | trans | 47.6 | 34.1 | -175.1 | -63 | -165.2 | 145 | 0 | 0 | 114.2 | M150 | M150-E154 PolarHBondContact O-N 2.93Š| ||
| 155 | K | 89.1 | Confident | 88.6 | Confident | 119 Ų | 119 | 36.5 Ų | 36.5 | 52% | 0.517 | 17% | 0.173 | S | C | . | . | trans | -119.2 | 143.9 | -176 | -79.7 | 168.8 | -172.5 | 168.5 | 0 | 113 | M150 D153 Q157 | M150-K155 WeakPolarHBondContact CA-O 3.45Å; D153-K155 HydrophobicContact CB-CD 4.46Å; D153-K155 WeakPolarHBondContact O-CG 3.44Å; D153-K155 PolarHBondContact O-N 3.07Å; D153-K155 VanDerWaalsContact O-N 3.13Å; K155-Q157 PolarHBondContact O-NE2 3.3Å | ||
| 156 | N | 94.1 | Very high | 88 | Confident | 44 Ų | 44 | 35.7 Ų | 35.7 | 24% | 0.235 | 17% | 0.173 | C | C | . | . | trans | -64 | 149.3 | 167.3 | -58.1 | -51.1 | 0 | 0 | 0 | 110.6 | S432 F433 T644 T645 | N156-S432 WeakPolarHBondContact OD1-CA 3.19Å; N156-S432 WeakPolarHBondContact OD1-CB 3.46Å; N156-F433 WeakPolarHBondContact CA-O 3.43Å; N156-F433 HydrophobicContact CB-CD1 3.98Å; N156-F433 HydrophobicContact CB-CD2 4.26Å; N156-F433 HydrophobicContact CB-CE1 3.76Å; N156-F433 HydrophobicContact CB-CE2 4.05Å; N156-F433 HydrophobicContact CB-CG 4.23Å; N156-F433 HydrophobicContact CB-CZ 3.79Å; N156-F433 VanDerWaalsContact CG-CD1 3.5Å; N156-F433 WeakPolarHBondContact ND2-CE1 3.36Å; N156-F433 WeakPolarHBondContact OD1-CD1 3.41Å; N156-F433 PolarHBondContact OD1-N 3.11Å; N156-T644 HydrophobicContact CB-CG2 3.89Å; N156-T644 CarbonylContact O-C 3.52Å; N156-T644 WeakPolarHBondContact O-CA 3.29Å; N156-T644 WeakPolarHBondContact O-CB 3.37Å; N156-T645 PolarHBondContact O-N 3.43Å | ||
| 157 | Q | 94.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 161.7 | -176 | -47.5 | -73.4 | -50.2 | 0 | 0 | 110.2 | A146 M150 K155 F433 I434 G435 T645 H647 | A146-Q157 HydrophobicContact CB-CB 4.4Å; A146-Q157 WeakPolarHBondContact O-CG 3.42Å; M150-Q157 HydrophobicContact CB-CG 3.84Å; K155-Q157 PolarHBondContact O-NE2 3.3Å; Q157-F433 PolarHBondContact N-O 2.89Å; Q157-I434 HydrophobicContact CB-CB 4.44Å; Q157-I434 HydrophobicContact CB-CG1 4.07Å; Q157-I434 HydrophobicContact CB-CG2 4.16Å; Q157-I434 HydrophobicContact CG-CG1 4.22Å; Q157-I434 WeakPolarHBondContact O-CA 3.5Å; Q157-G435 PolarHBondContact O-N 3.15Å; Q157-T645 CarbonylContact C-O 3.57Å; Q157-T645 WeakPolarHBondContact CA-O 3.41Å; Q157-H647 PolarHBondContact OE1-NE2 3Å |
| 158 | S | 94.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 142.8 | 164 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | G435 T644 T645 P646 H647 | S158-G435 CarbonylContact C-O 3.46Å; S158-G435 WeakPolarHBondContact CA-O 2.98Å; S158-G435 WeakPolarHBondContact CB-O 3.48Å; S158-T644 WeakPolarHBondContact CB-OG1 3.4Å; S158-T644 PolarHBondContact OG-OG1 3.32Å; S158-T645 PolarHBondContact N-O 2.86Å; S158-P646 CarbonylContact O-C 3.53Å; S158-P646 WeakPolarHBondContact O-CA 3.11Å; S158-H647 PolarHBondContact O-N 3.41Å |
| 159 | I | 95.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.8 | 168.7 | -63.3 | -179.8 | 0 | 0 | 0 | 106.6 | V142 A146 V161 A176 F180 I434 G435 V436 L437 H647 V649 | V142-I159 HydrophobicContact CG1-CD1 4.46Å; A146-I159 HydrophobicContact CB-CD1 4.3Å; A146-I159 HydrophobicContact CB-CG1 4.41Å; I159-V161 HydrophobicContact CG2-CG2 4Å; I159-A176 HydrophobicContact CD1-CB 4.33Å; I159-F180 HydrophobicContact CD1-CE2 3.93Å; I159-F180 HydrophobicContact CD1-CZ 3.71Å; I159-I434 HydrophobicContact CG1-CG2 4.38Å; I159-G435 PolarHBondContact N-O 3.41Å; I159-V436 WeakPolarHBondContact O-CA 3.35Å; I159-L437 PolarHBondContact O-N 3.39Å; I159-H647 CarbonylContact C-O 3.56Å; I159-H647 WeakPolarHBondContact CA-O 3.28Å; I159-H647 HydrophobicContact CG1-CB 4.21Å; I159-V649 HydrophobicContact CG2-CG2 4.04Å |
| 160 | I | 92.8 | Very high | 87.6 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 105.4 | -177.1 | -64 | 173.4 | 0 | 0 | 0 | 108.2 | L437 L641 P646 H647 Y648 V649 | I160-L437 HydrophobicContact CG1-CB 4.43Å; I160-L437 HydrophobicContact CG1-CD2 4.34Å; I160-L437 HydrophobicContact CG2-CD2 4.34Å; I160-L641 HydrophobicContact CD1-CD1 4.25Å; I160-L641 HydrophobicContact CD1-CD2 4.35Å; I160-P646 HydrophobicContact CD1-CB 3.92Å; I160-H647 PolarHBondContact N-O 2.89Å; I160-Y648 HydrophobicContact CB-CD1 3.92Å; I160-Y648 HydrophobicContact CB-CE1 4.04Å; I160-Y648 HydrophobicContact CD1-CD1 4.4Å; I160-Y648 HydrophobicContact CD1-CE1 3.66Å; I160-Y648 HydrophobicContact CG1-CE1 4.39Å; I160-Y648 HydrophobicContact CG2-CD1 4.15Å; I160-Y648 HydrophobicContact CG2-CE1 4.21Å; I160-V649 PolarHBondContact O-N 3.25Å |
| 161 | V | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.6 | 178.2 | -166.4 | 0 | 0 | 0 | 0 | 108.9 | I159 K169 A173 V436 L437 V649 | I159-V161 HydrophobicContact CG2-CG2 4Å; V161-K169 HydrophobicContact CG1-CB 3.9Å; V161-K169 HydrophobicContact CG1-CG 4.23Å; V161-A173 HydrophobicContact CG2-CB 4.46Å; V161-V436 HydrophobicContact CG2-CG1 4.49Å; V161-L437 WeakPolarHBondContact CB-O 3.23Å; V161-L437 PolarHBondContact N-O 2.94Å; V161-V649 HydrophobicContact CG1-CB 4.31Å; V161-V649 HydrophobicContact CG1-CG1 4.31Å; V161-V649 HydrophobicContact CG2-CB 4.31Å |
| 162 | S | 88.5 | Confident | 87.9 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 163.6 | -174.5 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | V649 R650 C651 | S162-V649 PolarHBondContact N-O 2.99Å; S162-V649 PolarHBondContact OG-O 2.76Å; S162-R650 WeakPolarHBondContact OG-CD 3.24Å; S162-R650 PolarHBondContact OG-NH1 2.85Å; S162-C651 WeakPolarHBondContact O-CB 3.49Å; S162-C651 PolarHBondContact O-N 2.77Å |
| 163 | G | 86.2 | Confident | 88.1 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.6 | 172.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112 | K169 G441 C651 | G163-K169 PolarHBondContact O-NZ 3.31Å; G163-G441 WeakPolarHBondContact O-CA 3.25Å; G163-G441 PolarHBondContact O-N 3.05Å; G163-C651 WeakPolarHBondContact CA-O 3.21Å |
| 164 | E | 81.2 | Confident | 88.2 | Confident | 19 Ų | 19 | 31 Ų | 31 | 9% | 0.089 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -64.7 | 170 | 179.2 | -72.4 | -175.2 | -173.2 | 0 | 0 | 112.9 | A167 K169 R667 Q671 | E164-A167 VanDerWaalsContact O-CB 3.29Å; E164-A167 WeakPolarHBondContact O-CB 3.41Å; E164-A167 PolarHBondContact O-N 3.44Å; E164-K169 PolarHBondContact O-NZ 3.12Å; E164-R667 IonicContact OE1-NE 3.3Å; E164-R667 IonicContact OE2-CZ 3.77Å; E164-R667 VanDerWaalsContact OE2-CZ 3.25Å; E164-R667 IonicContact OE2-NE 2.7Å; E164-R667 PolarHBondContact OE2-NE 2.76Å; E164-R667 IonicContact OE2-NH2 2.7Å; E164-R667 PolarHBondContact OE2-NH2 2.96Å; E164-Q671 HydrophobicContact CG-CG 3.87Å; E164-Q671 VanDerWaalsContact OE1-CG 3.23Å; E164-Q671 WeakPolarHBondContact OE1-CG 3.43Å |
| 165 | S | 78.1 | Confident | 88.4 | Confident | 18 Ų | 18 | 26 Ų | 26 | 13% | 0.126 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 142.9 | 170.6 | -153 | 0 | 0 | 0 | 0 | 110.3 | A167 N214 S217 | S165-A167 PolarHBondContact O-N 3.19Å; S165-N214 WeakPolarHBondContact OG-CB 3.44Å; S165-N214 PolarHBondContact OG-ND2 2.67Å; S165-S217 WeakPolarHBondContact OG-CB 3.27Å; S165-S217 PolarHBondContact OG-OG 3.2Å |
| 166 | G | 78.5 | Confident | 88.6 | Confident | 13 Ų | 13 | 20.3 Ų | 20.3 | 13% | 0.134 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -7.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N111 G168 N214 | N111-G166 PolarHBondContact ND2-O 3.43Å; G166-G168 VanDerWaalsContact C-N 3.29Å; G166-G168 PolarHBondContact O-N 3.37Å; G166-N214 PolarHBondContact N-ND2 3.19Å; G166-N214 VanDerWaalsContact N-ND2 3.14Å |
| 167 | A | 87.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 18.6 Ų | 18.6 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -75.8 | -5.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E164 S165 C651 K653 | E164-A167 VanDerWaalsContact O-CB 3.29Å; E164-A167 WeakPolarHBondContact O-CB 3.41Å; E164-A167 PolarHBondContact O-N 3.44Å; S165-A167 PolarHBondContact O-N 3.19Å; A167-C651 HydrophobicContact CB-CB 3.96Å; A167-C651 WeakPolarHBondContact O-CB 3.38Å; A167-K653 HydrophobicContact CB-CB 4.15Å |
| 168 | G | 87.4 | Confident | 87.9 | Confident | 19 Ų | 19 | 21.7 Ų | 21.7 | 20% | 0.196 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 98.1 | 11.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | G166 T170 V171 S172 | G166-G168 VanDerWaalsContact C-N 3.29Å; G166-G168 PolarHBondContact O-N 3.37Å; G168-T170 PolarHBondContact O-N 2.98Å; G168-V171 WeakPolarHBondContact O-CB 3.42Å; G168-V171 PolarHBondContact O-N 3.01Å; G168-V171 VanDerWaalsContact O-N 3.11Å; G168-S172 PolarHBondContact O-N 2.98Å |
| 169 | K | 88.6 | Confident | 87.6 | Confident | 17 Ų | 17 | 21.7 Ų | 21.7 | 7% | 0.074 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -49 | -56.5 | -178.9 | -62.9 | -171.7 | -68.4 | -77.2 | 0 | 114 | V161 G163 E164 V171 S172 A173 D438 I439 C651 | V161-K169 HydrophobicContact CG1-CB 3.9Å; V161-K169 HydrophobicContact CG1-CG 4.23Å; G163-K169 PolarHBondContact O-NZ 3.31Å; E164-K169 PolarHBondContact O-NZ 3.12Å; K169-V171 PolarHBondContact O-N 3.25Å; K169-S172 PolarHBondContact O-N 2.92Å; K169-S172 VanDerWaalsContact O-N 3.14Å; K169-A173 PolarHBondContact O-N 3.22Å; K169-D438 VanDerWaalsContact CB-OD1 3.25Å; K169-D438 WeakPolarHBondContact CB-OD1 3.38Å; K169-I439 WeakPolarHBondContact CD-O 3.31Å; K169-I439 WeakPolarHBondContact CE-O 3.24Å; K169-C651 HydrophobicContact CG-CB 4.11Å |
| 170 | T | 83.8 | Confident | 87.3 | Confident | 32 Ų | 32 | 21.8 Ų | 21.8 | 20% | 0.196 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.8 | -28.1 | -177.2 | -46.7 | 0 | 0 | 0 | 0 | 112.4 | G168 K174 D438 | G168-T170 PolarHBondContact O-N 2.98Å; T170-K174 VanDerWaalsContact O-CB 3.3Å; T170-K174 WeakPolarHBondContact O-CB 3.48Å; T170-K174 PolarHBondContact O-N 2.92Å; T170-D438 VanDerWaalsContact CA-OD2 3.3Å; T170-D438 WeakPolarHBondContact CA-OD2 3.28Å; T170-D438 VanDerWaalsContact CB-OD2 3.28Å; T170-D438 WeakPolarHBondContact CB-OD2 3.14Å; T170-D438 PolarHBondContact OG1-OD2 2.8Å |
| 171 | V | 87.3 | Confident | 86.8 | Confident | 74 Ų | 74 | 22.2 Ų | 22.2 | 45% | 0.448 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -70.8 | -47.3 | 173.8 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | G168 K169 A173 K174 Y175 | G168-V171 WeakPolarHBondContact O-CB 3.42Å; G168-V171 PolarHBondContact O-N 3.01Å; G168-V171 VanDerWaalsContact O-N 3.11Å; K169-V171 PolarHBondContact O-N 3.25Å; V171-A173 VanDerWaalsContact C-N 3.34Å; V171-A173 PolarHBondContact O-N 3.43Å; V171-K174 WeakPolarHBondContact O-CB 3.46Å; V171-K174 PolarHBondContact O-N 3.36Å; V171-Y175 HydrophobicContact CG1-CD2 3.78Å; V171-Y175 HydrophobicContact CG1-CE2 3.37Å; V171-Y175 VanDerWaalsContact O-CD2 3.3Å; V171-Y175 WeakPolarHBondContact O-CD2 3.4Å; V171-Y175 PolarHBondContact O-N 2.88Å |
| 172 | S | 91.8 | Very high | 86.4 | Confident | 8 Ų | 8 | 25 Ų | 25 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 174 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | G168 K169 Y175 A176 | G168-S172 PolarHBondContact O-N 2.98Å; K169-S172 PolarHBondContact O-N 2.92Å; K169-S172 VanDerWaalsContact O-N 3.14Å; S172-Y175 PolarHBondContact O-N 3.17Å; S172-A176 PolarHBondContact O-N 3.06Å |
| 173 | A | 88.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V161 K169 V171 Y175 A176 M177 V436 D438 | V161-A173 HydrophobicContact CG2-CB 4.46Å; K169-A173 PolarHBondContact O-N 3.22Å; V171-A173 VanDerWaalsContact C-N 3.34Å; V171-A173 PolarHBondContact O-N 3.43Å; A173-Y175 PolarHBondContact O-N 3.31Å; A173-A176 PolarHBondContact O-N 3.1Å; A173-M177 VanDerWaalsContact O-CG 3.31Å; A173-M177 WeakPolarHBondContact O-CG 3.42Å; A173-M177 PolarHBondContact O-N 2.95Å; A173-V436 HydrophobicContact CB-CG1 3.79Å; A173-D438 HydrophobicContact CB-CB 4.39Å |
| 174 | K | 86.3 | Confident | 85.5 | Confident | 116 Ų | 116 | 26.5 Ų | 26.5 | 50% | 0.504 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 175.7 | -177.3 | -179 | 178.9 | -179.4 | 0 | 112.1 | T170 V171 M177 R178 L197 | T170-K174 VanDerWaalsContact O-CB 3.3Å; T170-K174 WeakPolarHBondContact O-CB 3.48Å; T170-K174 PolarHBondContact O-N 2.92Å; V171-K174 WeakPolarHBondContact O-CB 3.46Å; V171-K174 PolarHBondContact O-N 3.36Å; K174-M177 PolarHBondContact O-N 2.98Å; K174-R178 PolarHBondContact O-N 2.89Å; K174-L197 HydrophobicContact CG-CD2 4.25Å |
| 175 | Y | 90.9 | Very high | 84.8 | Confident | 55 Ų | 55 | 26.8 Ų | 26.8 | 22% | 0.216 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.6 | -37.9 | 178 | -71 | -48.3 | 0 | 0 | 0 | 113.2 | Y119 V171 S172 A173 R178 Y179 | Y119-Y175 AromaticContact CD1-CD1 3.82Å; Y119-Y175 HydrophobicContact CD1-CD1 3.82Å; Y119-Y175 AromaticContact CD1-CD2 3.53Å; Y119-Y175 HydrophobicContact CD1-CD2 3.53Å; Y119-Y175 AromaticContact CD1-CE1 3.88Å; Y119-Y175 HydrophobicContact CD1-CE1 3.88Å; Y119-Y175 AromaticContact CD1-CE2 3.56Å; Y119-Y175 HydrophobicContact CD1-CE2 3.56Å; Y119-Y175 AromaticContact CD1-CG 3.67Å; Y119-Y175 HydrophobicContact CD1-CG 3.67Å; Y119-Y175 AromaticContact CD1-CZ 3.75Å; Y119-Y175 HydrophobicContact CD2-CD2 4.47Å; Y119-Y175 HydrophobicContact CD2-CE1 4.14Å; Y119-Y175 AromaticContact CD2-CE2 3.65Å; Y119-Y175 HydrophobicContact CD2-CE2 3.65Å; Y119-Y175 AromaticContact CD2-CZ 3.46Å; Y119-Y175 VanDerWaalsContact CD2-CZ 3.46Å; Y119-Y175 WeakPolarHBondContact CD2-OH 3.48Å; Y119-Y175 HydrophobicContact CE1-CD1 4.48Å; Y119-Y175 AromaticContact CE1-CD2 3.35Å; Y119-Y175 HydrophobicContact CE1-CD2 3.35Å; Y119-Y175 AromaticContact CE1-CE2 3.45Å; Y119-Y175 HydrophobicContact CE1-CE2 3.45Å; Y119-Y175 VanDerWaalsContact CE1-CE2 3.45Å; Y119-Y175 AromaticContact CE1-CG 3.92Å; Y119-Y175 HydrophobicContact CE1-CG 3.92Å; Y119-Y175 HydrophobicContact CE2-CD2 4.32Å; Y119-Y175 AromaticContact CE2-CE2 3.54Å; Y119-Y175 HydrophobicContact CE2-CE2 3.54Å; Y119-Y175 AromaticContact CE2-CZ 3.85Å; Y119-Y175 HydrophobicContact CG-CD1 4.01Å; Y119-Y175 HydrophobicContact CG-CD2 4.09Å; Y119-Y175 AromaticContact CG-CE1 3.6Å; Y119-Y175 HydrophobicContact CG-CE1 3.6Å; Y119-Y175 AromaticContact CG-CE2 3.64Å; Y119-Y175 HydrophobicContact CG-CE2 3.64Å; Y119-Y175 HydrophobicContact CG-CG 4.26Å; Y119-Y175 AromaticContact CG-CZ 3.38Å; Y119-Y175 AromaticContact CZ-CD2 3.77Å; Y119-Y175 AromaticContact CZ-CE2 3.42Å; Y119-Y175 VanDerWaalsContact CZ-CE2 3.42Å; V171-Y175 HydrophobicContact CG1-CD2 3.78Å; V171-Y175 HydrophobicContact CG1-CE2 3.37Å; V171-Y175 VanDerWaalsContact O-CD2 3.3Å; V171-Y175 WeakPolarHBondContact O-CD2 3.4Å; V171-Y175 PolarHBondContact O-N 2.88Å; S172-Y175 PolarHBondContact O-N 3.17Å; A173-Y175 PolarHBondContact O-N 3.31Å; Y175-R178 PolarHBondContact O-N 3.17Å; Y175-Y179 WeakPolarHBondContact O-CB 3.39Å; Y175-Y179 PolarHBondContact O-N 3.05Å |
| 176 | A | 91.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I139 I159 S172 A173 Y179 F180 | I139-A176 HydrophobicContact CG1-CB 4.36Å; I159-A176 HydrophobicContact CD1-CB 4.33Å; S172-A176 PolarHBondContact O-N 3.06Å; A173-A176 PolarHBondContact O-N 3.1Å; A176-Y179 WeakPolarHBondContact O-CB 3.27Å; A176-Y179 PolarHBondContact O-N 3.47Å; A176-F180 HydrophobicContact CB-CE2 4.42Å; A176-F180 WeakPolarHBondContact O-CD2 3.46Å; A176-F180 PolarHBondContact O-N 3.45Å |
| 177 | M | 87 | Confident | 82.5 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 3% | 0.034 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.4 | -68.4 | -171.7 | -67.1 | 0 | 0 | 112.9 | A173 K174 F180 A181 V196 I224 I226 V436 | A173-M177 VanDerWaalsContact O-CG 3.31Å; A173-M177 WeakPolarHBondContact O-CG 3.42Å; A173-M177 PolarHBondContact O-N 2.95Å; K174-M177 PolarHBondContact O-N 2.98Å; M177-F180 PolarHBondContact O-N 3.25Å; M177-A181 PolarHBondContact O-N 3.11Å; M177-A181 VanDerWaalsContact O-N 3.13Å; M177-V196 HydrophobicContact SD-CG1 3.87Å; M177-I224 HydrophobicContact CE-CD1 4.15Å; M177-I224 HydrophobicContact SD-CB 4.36Å; M177-I224 HydrophobicContact SD-CD1 3.6Å; M177-I224 VanDerWaalsContact SD-CD1 3.6Å; M177-I224 HydrophobicContact SD-CG2 4.16Å; M177-I226 HydrophobicContact CG-CD1 4.18Å; M177-V436 HydrophobicContact CG-CG2 4.26Å |
| 178 | R | 87.1 | Confident | 80.9 | Confident | 66 Ų | 66 | 38.1 Ų | 38.1 | 25% | 0.249 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 174.7 | -171.7 | -176.8 | -178.9 | -163.1 | 3.2 | 111.7 | Y119 E121 I124 K174 Y175 F180 A181 T182 | Y119-R178 PolarHBondContact O-NH1 2.82Å; E121-R178 IonicContact OE1-CZ 3.05Å; E121-R178 IonicContact OE1-NH2 3.79Å; E121-R178 PolarHBondContact OE1-NH2 2.99Å; I124-R178 HydrophobicContact CD1-CG 4.4Å; K174-R178 PolarHBondContact O-N 2.89Å; Y175-R178 PolarHBondContact O-N 3.17Å; R178-F180 PolarHBondContact O-N 3.04Å; R178-A181 WeakPolarHBondContact O-CB 3.43Å; R178-A181 PolarHBondContact O-N 3.26Å; R178-A181 VanDerWaalsContact O-N 3.1Å; R178-T182 PolarHBondContact O-N 3.34Å; R178-T182 PolarHBondContact O-OG1 3.29Å; R178-T182 VanDerWaalsContact O-OG1 3.13Å |
| 179 | Y | 90.6 | Very high | 79 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 177.7 | -173.7 | -89 | 0 | 0 | 0 | 112 | I124 S128 F140 A143 E144 Y175 A176 A181 T182 V183 | I124-Y179 HydrophobicContact CB-CD2 4.32Å; I124-Y179 HydrophobicContact CB-CE2 4.46Å; I124-Y179 HydrophobicContact CG1-CD2 4.23Å; I124-Y179 HydrophobicContact CG2-CD2 3.76Å; I124-Y179 HydrophobicContact CG2-CE2 3.84Å; S128-Y179 VanDerWaalsContact CA-OH 3.25Å; S128-Y179 WeakPolarHBondContact CA-OH 3.44Å; S128-Y179 PolarHBondContact N-OH 3.43Å; F140-Y179 HydrophobicContact CB-CD2 3.56Å; F140-Y179 HydrophobicContact CB-CE2 3.73Å; F140-Y179 HydrophobicContact CB-CG 4.38Å; F140-Y179 AromaticContact CD1-CD2 3.55Å; F140-Y179 HydrophobicContact CD1-CD2 3.55Å; F140-Y179 HydrophobicContact CD1-CG 4.01Å; F140-Y179 HydrophobicContact CD2-CD2 4.27Å; F140-Y179 HydrophobicContact CE1-CD2 4.3Å; F140-Y179 AromaticContact CG-CD2 3.54Å; F140-Y179 HydrophobicContact CG-CD2 3.54Å; F140-Y179 HydrophobicContact CG-CE2 4.11Å; F140-Y179 HydrophobicContact CG-CG 4.39Å; A143-Y179 HydrophobicContact CB-CD1 3.43Å; A143-Y179 VanDerWaalsContact CB-CD1 3.43Å; A143-Y179 HydrophobicContact CB-CE1 4.14Å; A143-Y179 HydrophobicContact CB-CG 3.83Å; E144-Y179 HydrophobicContact CB-CE1 3.97Å; E144-Y179 WeakPolarHBondContact CB-OH 3.1Å; E144-Y179 VanDerWaalsContact CD-OH 3.31Å; E144-Y179 WeakPolarHBondContact OE2-CE1 3.38Å; E144-Y179 PolarHBondContact OE2-OH 2.88Å; Y175-Y179 WeakPolarHBondContact O-CB 3.39Å; Y175-Y179 PolarHBondContact O-N 3.05Å; A176-Y179 WeakPolarHBondContact O-CB 3.27Å; A176-Y179 PolarHBondContact O-N 3.47Å; Y179-A181 VanDerWaalsContact C-N 3.28Å; Y179-A181 PolarHBondContact O-N 3.1Å; Y179-T182 PolarHBondContact O-N 2.96Å; Y179-V183 HydrophobicContact CD1-CG2 4.24Å; Y179-V183 HydrophobicContact CD2-CG2 4.42Å; Y179-V183 HydrophobicContact CE1-CB 4.24Å; Y179-V183 HydrophobicContact CE1-CG1 4.49Å; Y179-V183 HydrophobicContact CE1-CG2 3.77Å; Y179-V183 HydrophobicContact CE2-CG2 3.97Å; Y179-V183 WeakPolarHBondContact O-CB 3.47Å; Y179-V183 WeakPolarHBondContact O-CG2 3.41Å; Y179-V183 PolarHBondContact O-N 3.45Å |
| 180 | F | 88.8 | Confident | 77.4 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -35.4 | 176.3 | -63.8 | -53.5 | 0 | 0 | 0 | 112.9 | A143 A146 I159 A176 M177 R178 G184 I226 F228 I234 I434 V436 | A143-F180 HydrophobicContact CB-CE1 4.02Å; A143-F180 HydrophobicContact CB-CE2 4.38Å; A143-F180 HydrophobicContact CB-CZ 3.83Å; A143-F180 VanDerWaalsContact O-CE1 3.23Å; A143-F180 WeakPolarHBondContact O-CE1 3.41Å; A146-F180 HydrophobicContact CB-CZ 4.44Å; I159-F180 HydrophobicContact CD1-CE2 3.93Å; I159-F180 HydrophobicContact CD1-CZ 3.71Å; A176-F180 HydrophobicContact CB-CE2 4.42Å; A176-F180 WeakPolarHBondContact O-CD2 3.46Å; A176-F180 PolarHBondContact O-N 3.45Å; M177-F180 PolarHBondContact O-N 3.25Å; R178-F180 PolarHBondContact O-N 3.04Å; F180-G184 WeakPolarHBondContact O-CA 3.47Å; F180-G184 PolarHBondContact O-N 3.33Å; F180-I226 HydrophobicContact CB-CD1 4.13Å; F180-I226 HydrophobicContact CD2-CD1 3.71Å; F180-I226 HydrophobicContact CG-CD1 4.29Å; F180-F228 HydrophobicContact CB-CZ 4.31Å; F180-F228 HydrophobicContact CD1-CZ 4.33Å; F180-F228 HydrophobicContact CG-CZ 4.37Å; F180-I234 HydrophobicContact CB-CD1 4.22Å; F180-I234 VanDerWaalsContact O-CD1 3.26Å; F180-I234 WeakPolarHBondContact O-CD1 3.36Å; F180-I434 HydrophobicContact CD1-CD1 3.9Å; F180-I434 HydrophobicContact CE1-CD1 3.31Å; F180-I434 HydrophobicContact CE1-CG2 4.46Å; F180-I434 HydrophobicContact CE2-CB 4.49Å; F180-I434 HydrophobicContact CE2-CD1 4.49Å; F180-I434 HydrophobicContact CE2-CG2 3.9Å; F180-I434 HydrophobicContact CZ-CB 4.32Å; F180-I434 HydrophobicContact CZ-CD1 3.67Å; F180-I434 HydrophobicContact CZ-CG2 3.69Å; F180-V436 HydrophobicContact CE2-CG2 4.39Å |
| 181 | A | 82.6 | Confident | 76.6 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | M177 R178 Y179 E193 | M177-A181 PolarHBondContact O-N 3.11Å; M177-A181 VanDerWaalsContact O-N 3.13Å; R178-A181 WeakPolarHBondContact O-CB 3.43Å; R178-A181 PolarHBondContact O-N 3.26Å; R178-A181 VanDerWaalsContact O-N 3.1Å; Y179-A181 VanDerWaalsContact C-N 3.28Å; Y179-A181 PolarHBondContact O-N 3.1Å; A181-E193 HydrophobicContact CB-CB 3.69Å; A181-E193 HydrophobicContact CB-CG 3.43Å; A181-E193 VanDerWaalsContact CB-CG 3.43Å; A181-E193 WeakPolarHBondContact CB-OE2 3.44Å |
| 182 | T | 83.4 | Confident | 75.8 | Confident | 59 Ų | 59 | 46.7 Ų | 46.7 | 36% | 0.362 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 178.2 | -43.7 | 0 | 0 | 0 | 0 | 111.8 | I124 R178 Y179 | I124-T182 HydrophobicContact CG2-CG2 4Å; R178-T182 PolarHBondContact O-N 3.34Å; R178-T182 PolarHBondContact O-OG1 3.29Å; R178-T182 VanDerWaalsContact O-OG1 3.13Å; Y179-T182 PolarHBondContact O-N 2.96Å |
| 183 | V | 83 | Confident | 74.7 | Confident | 34 Ų | 34 | 49.6 Ų | 49.6 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -82 | -31.2 | -173.5 | 175.9 | 0 | 0 | 0 | 0 | 112.8 | I124 Y147 Y179 G185 | I124-V183 HydrophobicContact CG2-CG2 3.91Å; Y147-V183 HydrophobicContact CD1-CG1 4.11Å; Y147-V183 HydrophobicContact CE1-CG1 3.91Å; Y179-V183 HydrophobicContact CD1-CG2 4.24Å; Y179-V183 HydrophobicContact CD2-CG2 4.42Å; Y179-V183 HydrophobicContact CE1-CB 4.24Å; Y179-V183 HydrophobicContact CE1-CG1 4.49Å; Y179-V183 HydrophobicContact CE1-CG2 3.77Å; Y179-V183 HydrophobicContact CE2-CG2 3.97Å; Y179-V183 WeakPolarHBondContact O-CB 3.47Å; Y179-V183 WeakPolarHBondContact O-CG2 3.41Å; Y179-V183 PolarHBondContact O-N 3.45Å; V183-G185 VanDerWaalsContact C-N 3.34Å |
| 184 | G | 71.4 | Confident | 74.1 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.8 | -24 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F180 H233 | F180-G184 WeakPolarHBondContact O-CA 3.47Å; F180-G184 PolarHBondContact O-N 3.33Å; G184-H233 VanDerWaalsContact O-CA 3.27Å; G184-H233 WeakPolarHBondContact O-CA 3.48Å |
| 185 | G | 67.2 | Low | 73.9 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | trans | 74.4 | 140.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V183 | V183-G185 VanDerWaalsContact C-N 3.34Š| ||
| 186 | S | 54.3 | Low | 73.4 | Confident | 95 Ų | 95 | 49.7 Ų | 49.7 | 66% | 0.664 | 29% | 0.291 | S | S | * | . | B | Isolated β-bridge | trans | -78.5 | 127.5 | 178.3 | -41.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 187 | S | 53.8 | Low | 72.8 | Confident | 57 Ų | 57 | 52 Ų | 52 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | trans | -72.6 | 133.8 | 156.4 | 46.4 | 0 | 0 | 0 | 0 | 108.6 | D189 A190 | S187-D189 PolarHBondContact O-N 2.88Å; S187-A190 PolarHBondContact O-N 2.89Å | ||
| 188 | S | 52.7 | Low | 72.6 | Confident | 119 Ų | 119 | 52.4 Ų | 52.4 | 83% | 0.832 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 31.2 | -144.4 | 62.3 | 0 | 0 | 0 | 0 | 117.6 | ||
| 189 | D | 47.9 | Very low | 72.7 | Confident | 165 Ų | 165 | 49.2 Ų | 49.2 | 88% | 0.882 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146 | 5.5 | -179.8 | -107 | -39.2 | 0 | 0 | 0 | 113.9 | S187 | S187-D189 PolarHBondContact O-N 2.88Š|
| 190 | A | 54.8 | Low | 72.5 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 31% | 0.314 | 30% | 0.298 | S | S | . | . | trans | -143 | 115.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S187 V192 | S187-A190 PolarHBondContact O-N 2.89Å; A190-V192 HydrophobicContact CB-CG2 3.83Å; A190-V192 PolarHBondContact O-N 3.39Å | ||
| 191 | N | 67.4 | Low | 72.6 | Confident | 106 Ų | 106 | 51.8 Ų | 51.8 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | trans | -72.1 | 62 | 168.5 | -64.8 | 9.8 | 0 | 0 | 0 | 110.8 | E193 E194 K195 | N191-E193 VanDerWaalsContact C-N 3.26Å; N191-E193 PolarHBondContact O-N 3.47Å; N191-E194 HydrophobicContact CB-CB 3.84Å; N191-E194 WeakPolarHBondContact CB-OE2 3.47Å; N191-E194 PolarHBondContact ND2-OE2 3.5Å; N191-E194 PolarHBondContact O-N 3.41Å; N191-K195 WeakPolarHBondContact O-CG 3.16Å; N191-K195 PolarHBondContact O-N 2.89Å; N191-K195 VanDerWaalsContact O-N 3.1Å | ||
| 192 | V | 69.8 | Low | 73 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 9% | 0.085 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 179.5 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | A190 K195 V196 I234 | A190-V192 HydrophobicContact CB-CG2 3.83Å; A190-V192 PolarHBondContact O-N 3.39Å; V192-K195 PolarHBondContact O-N 3.39Å; V192-V196 HydrophobicContact CG1-CG2 4.21Å; V192-V196 WeakPolarHBondContact O-CB 3.4Å; V192-V196 VanDerWaalsContact O-CG2 3.28Å; V192-V196 WeakPolarHBondContact O-CG2 3.27Å; V192-V196 PolarHBondContact O-N 2.9Å; V192-I234 HydrophobicContact CB-CG2 4.17Å; V192-I234 HydrophobicContact CG1-CG2 3.75Å |
| 193 | E | 69.7 | Low | 73.4 | Confident | 68 Ų | 68 | 48.4 Ų | 48.4 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54.5 | -58.3 | 172.1 | 178.3 | 172.5 | -168.5 | 0 | 0 | 111.7 | A181 N191 K195 V196 L197 | A181-E193 HydrophobicContact CB-CB 3.69Å; A181-E193 HydrophobicContact CB-CG 3.43Å; A181-E193 VanDerWaalsContact CB-CG 3.43Å; A181-E193 WeakPolarHBondContact CB-OE2 3.44Å; N191-E193 VanDerWaalsContact C-N 3.26Å; N191-E193 PolarHBondContact O-N 3.47Å; E193-K195 VanDerWaalsContact C-N 3.27Å; E193-K195 PolarHBondContact O-N 2.99Å; E193-V196 PolarHBondContact O-N 3.03Å; E193-L197 HydrophobicContact CG-CD1 3.74Å; E193-L197 HydrophobicContact CG-CG 4.29Å; E193-L197 WeakPolarHBondContact O-CB 3.43Å; E193-L197 WeakPolarHBondContact O-CG 3.48Å; E193-L197 PolarHBondContact O-N 3.03Å |
| 194 | E | 76.9 | Confident | 73.7 | Confident | 93 Ų | 93 | 49.2 Ų | 49.2 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58 | -41.5 | -176.4 | -166.9 | 179.3 | -163.1 | 0 | 0 | 111.1 | N191 L197 A198 L314 | N191-E194 HydrophobicContact CB-CB 3.84Å; N191-E194 WeakPolarHBondContact CB-OE2 3.47Å; N191-E194 PolarHBondContact ND2-OE2 3.5Å; N191-E194 PolarHBondContact O-N 3.41Å; E194-L197 PolarHBondContact O-N 3.23Å; E194-A198 WeakPolarHBondContact O-CB 3.39Å; E194-A198 PolarHBondContact O-N 3.32Å; E194-L314 HydrophobicContact CG-CD1 3.95Å; E194-L314 HydrophobicContact CG-CD2 4.22Å |
| 195 | K | 81.5 | Confident | 74.8 | Confident | 71 Ų | 71 | 49.2 Ų | 49.2 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 173.4 | -70 | 179.2 | 167.7 | -171 | 0 | 113 | N191 V192 E193 L197 A198 S199 L314 L315 A423 L424 | N191-K195 WeakPolarHBondContact O-CG 3.16Å; N191-K195 PolarHBondContact O-N 2.89Å; N191-K195 VanDerWaalsContact O-N 3.1Å; V192-K195 PolarHBondContact O-N 3.39Å; E193-K195 VanDerWaalsContact C-N 3.27Å; E193-K195 PolarHBondContact O-N 2.99Å; K195-L197 VanDerWaalsContact C-N 3.32Å; K195-L197 PolarHBondContact O-N 2.88Å; K195-A198 PolarHBondContact O-N 2.95Å; K195-S199 PolarHBondContact O-N 2.75Å; K195-L314 HydrophobicContact CB-CD2 4.45Å; K195-L314 HydrophobicContact CG-CD2 3.83Å; K195-L315 HydrophobicContact CB-CD2 3.66Å; K195-L315 HydrophobicContact CG-CD2 3.96Å; K195-A423 PolarHBondContact NZ-O 3.13Å; K195-L424 HydrophobicContact CB-CD2 3.67Å |
| 196 | V | 79.4 | Confident | 76.1 | Confident | 12 Ų | 12 | 48 Ų | 48 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 177.3 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | M177 V192 E193 S199 N200 A237 L424 | M177-V196 HydrophobicContact SD-CG1 3.87Å; V192-V196 HydrophobicContact CG1-CG2 4.21Å; V192-V196 WeakPolarHBondContact O-CB 3.4Å; V192-V196 VanDerWaalsContact O-CG2 3.28Å; V192-V196 WeakPolarHBondContact O-CG2 3.27Å; V192-V196 PolarHBondContact O-N 2.9Å; E193-V196 PolarHBondContact O-N 3.03Å; V196-S199 WeakPolarHBondContact O-CB 3.4Å; V196-S199 PolarHBondContact O-N 3.22Å; V196-S199 PolarHBondContact O-OG 3.44Å; V196-N200 PolarHBondContact O-ND2 2.88Å; V196-A237 HydrophobicContact CG2-CB 3.59Å; V196-L424 HydrophobicContact CG2-CD2 3.77Å |
| 197 | L | 79.1 | Confident | 77.9 | Confident | 48 Ų | 48 | 43.5 Ų | 43.5 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 176.9 | -66.9 | 177.3 | 0 | 0 | 0 | 111.8 | K174 E193 E194 K195 S199 N200 | K174-L197 HydrophobicContact CG-CD2 4.25Å; E193-L197 HydrophobicContact CG-CD1 3.74Å; E193-L197 HydrophobicContact CG-CG 4.29Å; E193-L197 WeakPolarHBondContact O-CB 3.43Å; E193-L197 WeakPolarHBondContact O-CG 3.48Å; E193-L197 PolarHBondContact O-N 3.03Å; E194-L197 PolarHBondContact O-N 3.23Å; K195-L197 VanDerWaalsContact C-N 3.32Å; K195-L197 PolarHBondContact O-N 2.88Å; L197-S199 PolarHBondContact O-N 3.4Å; L197-N200 WeakPolarHBondContact O-CB 3.37Å; L197-N200 PolarHBondContact O-N 2.87Å; L197-N200 VanDerWaalsContact O-N 3.1Å; L197-N200 PolarHBondContact O-ND2 3.32Å |
| 198 | A | 84.4 | Confident | 79.6 | Confident | 15 Ų | 15 | 41 Ų | 41 | 12% | 0.124 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.2 | -17.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | E194 K195 N200 P201 A311 L314 | E194-A198 WeakPolarHBondContact O-CB 3.39Å; E194-A198 PolarHBondContact O-N 3.32Å; K195-A198 PolarHBondContact O-N 2.95Å; A198-N200 PolarHBondContact O-N 3.05Å; A198-P201 WeakPolarHBondContact O-CD 3.44Å; A198-A311 HydrophobicContact CB-CB 4.48Å; A198-A311 WeakPolarHBondContact O-CB 3.36Å; A198-L314 HydrophobicContact CB-CD2 3.89Å |
| 199 | S | 87.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -24.7 | 170.4 | 76.9 | 0 | 0 | 0 | 0 | 113 | K195 V196 L197 M203 M239 | K195-S199 PolarHBondContact O-N 2.75Å; V196-S199 WeakPolarHBondContact O-CB 3.4Å; V196-S199 PolarHBondContact O-N 3.22Å; V196-S199 PolarHBondContact O-OG 3.44Å; L197-S199 PolarHBondContact O-N 3.4Å; S199-M203 WeakPolarHBondContact O-CB 3.42Å; S199-M203 VanDerWaalsContact O-CG 3.26Å; S199-M203 WeakPolarHBondContact O-CG 3.5Å; S199-M203 PolarHBondContact O-N 3.38Å; S199-M203 VanDerWaalsContact O-N 3.13Å; S199-M239 WeakPolarHBondContact OG-CE 3.4Å |
| 200 | N | 86.2 | Confident | 83.3 | Confident | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.3 | -50 | -174.1 | -60.2 | -77.9 | 0 | 0 | 0 | 113.2 | V196 L197 A198 I202 M203 E204 K222 | V196-N200 PolarHBondContact O-ND2 2.88Å; L197-N200 WeakPolarHBondContact O-CB 3.37Å; L197-N200 PolarHBondContact O-N 2.87Å; L197-N200 VanDerWaalsContact O-N 3.1Å; L197-N200 PolarHBondContact O-ND2 3.32Å; A198-N200 PolarHBondContact O-N 3.05Å; N200-I202 VanDerWaalsContact C-N 3.28Å; N200-I202 PolarHBondContact O-N 2.92Å; N200-M203 PolarHBondContact O-N 3.38Å; N200-M203 VanDerWaalsContact O-N 3.08Å; N200-E204 WeakPolarHBondContact O-CB 3.48Å; N200-E204 WeakPolarHBondContact O-CG 3.32Å; N200-E204 PolarHBondContact O-N 3.22Å; N200-K222 PolarHBondContact OD1-NZ 3.25Å |
| 201 | P | 90.3 | Very high | 84.6 | Confident | 46 Ų | 46 | 26.6 Ų | 26.6 | 30% | 0.299 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -51.3 | -41.7 | 175.4 | -30.7 | 35.5 | 0 | 0 | 0 | 114.6 | A198 A205 A311 | A198-P201 WeakPolarHBondContact O-CD 3.44Å; P201-A205 WeakPolarHBondContact O-CB 3.46Å; P201-A205 PolarHBondContact O-N 2.98Å; P201-A311 HydrophobicContact CB-CB 4.17Å |
| 202 | I | 92.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -51.1 | 176.8 | -61.9 | 157.3 | 0 | 0 | 0 | 110.4 | N200 E204 A205 I206 A311 F312 L315 I416 I420 | N200-I202 VanDerWaalsContact C-N 3.28Å; N200-I202 PolarHBondContact O-N 2.92Å; I202-E204 VanDerWaalsContact C-N 3.32Å; I202-E204 PolarHBondContact O-N 3.49Å; I202-A205 PolarHBondContact O-N 3.29Å; I202-I206 HydrophobicContact CG2-CD1 4.42Å; I202-I206 WeakPolarHBondContact O-CG1 3.49Å; I202-I206 PolarHBondContact O-N 2.95Å; I202-A311 HydrophobicContact CD1-CB 3.97Å; I202-A311 HydrophobicContact CG1-CB 3.81Å; I202-F312 HydrophobicContact CB-CE1 4.48Å; I202-F312 HydrophobicContact CD1-CD1 3.77Å; I202-F312 HydrophobicContact CD1-CE1 4.18Å; I202-F312 HydrophobicContact CD1-CG 4.2Å; I202-F312 HydrophobicContact CG1-CD1 3.98Å; I202-F312 HydrophobicContact CG1-CD2 4.46Å; I202-F312 HydrophobicContact CG1-CE1 4.1Å; I202-F312 HydrophobicContact CG1-CG 4.17Å; I202-F312 HydrophobicContact CG1-CZ 4.4Å; I202-F312 HydrophobicContact CG2-CD1 4.25Å; I202-F312 HydrophobicContact CG2-CE1 3.53Å; I202-F312 HydrophobicContact CG2-CE2 4.48Å; I202-F312 HydrophobicContact CG2-CZ 3.68Å; I202-L315 HydrophobicContact CD1-CD1 3.71Å; I202-L315 HydrophobicContact CD1-CG 4.49Å; I202-I416 HydrophobicContact CG2-CG2 3.84Å; I202-I420 HydrophobicContact CB-CD1 4.47Å; I202-I420 HydrophobicContact CD1-CD1 4.5Å; I202-I420 HydrophobicContact CG2-CD1 4.04Å |
| 203 | M | 90.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.5 | -30.6 | -176.3 | -67.5 | -53.3 | -55.6 | 0 | 0 | 112.9 | S199 N200 I206 G207 F220 M239 T241 F413 V417 I420 | S199-M203 WeakPolarHBondContact O-CB 3.42Å; S199-M203 VanDerWaalsContact O-CG 3.26Å; S199-M203 WeakPolarHBondContact O-CG 3.5Å; S199-M203 PolarHBondContact O-N 3.38Å; S199-M203 VanDerWaalsContact O-N 3.13Å; N200-M203 PolarHBondContact O-N 3.38Å; N200-M203 VanDerWaalsContact O-N 3.08Å; M203-I206 HydrophobicContact CE-CD1 4.48Å; M203-I206 HydrophobicContact SD-CD1 4.12Å; M203-I206 HydrophobicContact SD-CG1 4.49Å; M203-G207 VanDerWaalsContact O-CA 3.22Å; M203-G207 WeakPolarHBondContact O-CA 3.25Å; M203-G207 PolarHBondContact O-N 3.16Å; M203-F220 HydrophobicContact CB-CZ 3.89Å; M203-F220 HydrophobicContact CE-CD2 4.16Å; M203-F220 HydrophobicContact CE-CE1 4.4Å; M203-F220 HydrophobicContact CE-CE2 3.5Å; M203-F220 HydrophobicContact CE-CZ 3.67Å; M203-F220 WeakPolarHBondContact O-CE1 3.43Å; M203-M239 HydrophobicContact CE-SD 4.14Å; M203-M239 HydrophobicContact CG-CE 3.94Å; M203-M239 HydrophobicContact CG-SD 3.8Å; M203-M239 HydrophobicContact SD-SD 4.04Å; M203-T241 HydrophobicContact CE-CG2 3.77Å; M203-F413 HydrophobicContact CE-CE1 4.36Å; M203-F413 HydrophobicContact CE-CE2 3.8Å; M203-F413 HydrophobicContact CE-CZ 3.56Å; M203-V417 HydrophobicContact CE-CG2 3.74Å; M203-V417 HydrophobicContact SD-CG2 3.94Å; M203-I420 HydrophobicContact CG-CD1 4.13Å; M203-I420 HydrophobicContact SD-CD1 3.64Å |
| 204 | E | 90.1 | Very high | 85.4 | Confident | 51 Ų | 51 | 26.3 Ų | 26.3 | 24% | 0.238 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.4 | -43.6 | 170.1 | -69.7 | 176.6 | -128.9 | 0 | 0 | 110.3 | N200 I202 I206 N208 N216 | N200-E204 WeakPolarHBondContact O-CB 3.48Å; N200-E204 WeakPolarHBondContact O-CG 3.32Å; N200-E204 PolarHBondContact O-N 3.22Å; I202-E204 VanDerWaalsContact C-N 3.32Å; I202-E204 PolarHBondContact O-N 3.49Å; E204-I206 PolarHBondContact O-N 3.1Å; E204-N208 HydrophobicContact CB-CB 4.45Å; E204-N208 WeakPolarHBondContact O-CA 3.26Å; E204-N208 VanDerWaalsContact O-CB 3.25Å; E204-N208 WeakPolarHBondContact O-CB 3.45Å; E204-N208 PolarHBondContact O-N 3.13Å; E204-N216 PolarHBondContact OE2-ND2 3.45Å |
| 205 | A | 93.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P201 I202 H260 I261 T308 | P201-A205 WeakPolarHBondContact O-CB 3.46Å; P201-A205 PolarHBondContact O-N 2.98Å; I202-A205 PolarHBondContact O-N 3.29Å; A205-H260 PolarHBondContact O-N 3.35Å; A205-I261 HydrophobicContact CB-CB 4.29Å; A205-I261 HydrophobicContact CB-CD1 4.41Å; A205-I261 VanDerWaalsContact O-CB 3.31Å; A205-I261 WeakPolarHBondContact O-CB 3.35Å; A205-I261 WeakPolarHBondContact O-CG2 3.47Å; A205-I261 PolarHBondContact O-N 3.43Å; A205-T308 HydrophobicContact CB-CG2 4.02Å |
| 206 | I | 94.8 | Very high | 85.9 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -93.4 | -6.1 | -176.3 | 73.3 | 177.9 | 0 | 0 | 0 | 114.6 | I202 M203 E204 Y259 I261 M329 Y409 F413 I416 | I202-I206 HydrophobicContact CG2-CD1 4.42Å; I202-I206 WeakPolarHBondContact O-CG1 3.49Å; I202-I206 PolarHBondContact O-N 2.95Å; M203-I206 HydrophobicContact CE-CD1 4.48Å; M203-I206 HydrophobicContact SD-CD1 4.12Å; M203-I206 HydrophobicContact SD-CG1 4.49Å; E204-I206 PolarHBondContact O-N 3.1Å; I206-Y259 WeakPolarHBondContact O-CD1 3.46Å; I206-I261 HydrophobicContact CG2-CB 4.27Å; I206-I261 HydrophobicContact CG2-CG1 4.32Å; I206-I261 HydrophobicContact CG2-CG2 4.29Å; I206-M329 HydrophobicContact CG2-CE 4.12Å; I206-Y409 WeakPolarHBondContact CA-OH 3.33Å; I206-Y409 PolarHBondContact O-OH 2.82Å; I206-F413 HydrophobicContact CB-CD2 4.34Å; I206-F413 HydrophobicContact CD1-CD2 3.7Å; I206-F413 HydrophobicContact CD1-CE2 4.08Å; I206-F413 HydrophobicContact CD1-CG 4.42Å; I206-F413 HydrophobicContact CG1-CD2 3.72Å; I206-F413 HydrophobicContact CG1-CE2 3.84Å; I206-I416 HydrophobicContact CD1-CB 4.01Å; I206-I416 HydrophobicContact CD1-CD1 3.83Å; I206-I416 HydrophobicContact CD1-CG2 3.74Å; I206-I416 HydrophobicContact CG2-CD1 4.36Å |
| 207 | G | 90.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -133.8 | -12.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | M203 R219 F220 Y259 | M203-G207 VanDerWaalsContact O-CA 3.22Å; M203-G207 WeakPolarHBondContact O-CA 3.25Å; M203-G207 PolarHBondContact O-N 3.16Å; G207-R219 PolarHBondContact O-N 3.37Å; G207-F220 VanDerWaalsContact CA-CD1 3.49Å; G207-F220 WeakPolarHBondContact O-CD1 3.28Å; G207-Y259 WeakPolarHBondContact O-CE1 3.44Å |
| 208 | N | 90.8 | Very high | 86.4 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 154.8 | 174.9 | -62.6 | 24.4 | 0 | 0 | 0 | 111.1 | E204 N216 S217 S218 Y259 H260 | E204-N208 HydrophobicContact CB-CB 4.45Å; E204-N208 WeakPolarHBondContact O-CA 3.26Å; E204-N208 VanDerWaalsContact O-CB 3.25Å; E204-N208 WeakPolarHBondContact O-CB 3.45Å; E204-N208 PolarHBondContact O-N 3.13Å; N208-N216 WeakPolarHBondContact CB-OD1 3.49Å; N208-N216 PolarHBondContact ND2-OD1 3.18Å; N208-S217 VanDerWaalsContact CA-O 3.29Å; N208-S217 WeakPolarHBondContact CA-O 3.27Å; N208-S218 VanDerWaalsContact CG-CA 3.48Å; N208-S218 PolarHBondContact ND2-OG 3.31Å; N208-S218 VanDerWaalsContact ND2-OG 3.17Å; N208-S218 VanDerWaalsContact OD1-CA 3.31Å; N208-S218 WeakPolarHBondContact OD1-CA 3.46Å; N208-Y259 WeakPolarHBondContact O-CA 3.39Å; N208-H260 VanDerWaalsContact C-CD2 3.41Å; N208-H260 PolarHBondContact O-CD2 2.83Å; N208-H260 PolarHBondContact O-N 2.95Å; N208-H260 VanDerWaalsContact O-N 3.13Å |
| 209 | A | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 166.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S217 R219 N258 H260 | A209-S217 PolarHBondContact N-O 3.16Å; A209-S217 WeakPolarHBondContact O-CA 3.41Å; A209-S217 WeakPolarHBondContact O-CB 3.45Å; A209-S217 PolarHBondContact O-N 2.88Å; A209-R219 HydrophobicContact CB-CG 4.46Å; A209-N258 WeakPolarHBondContact CB-O 3.44Å; A209-H260 PolarHBondContact N-NE2 2.89Å |
| 210 | K | 87.7 | Confident | 86.3 | Confident | 12 Ų | 12 | 21.7 Ų | 21.7 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 129 | 169.8 | -165.1 | -151.4 | 170.7 | -161.3 | 0 | 109.5 | D215 D255 R257 N293 I296 | K210-D215 WeakPolarHBondContact CA-O 3.5Å; K210-D255 WeakPolarHBondContact CD-O 3.45Å; K210-D255 VanDerWaalsContact CE-O 3.32Å; K210-D255 WeakPolarHBondContact CE-O 3.46Å; K210-D255 PolarHBondContact NZ-O 3.39Å; K210-D255 IonicContact NZ-OD1 3.2Å; K210-D255 PolarHBondContact NZ-OD1 2.89Å; K210-D255 IonicContact NZ-OD2 2.74Å; K210-D255 PolarHBondContact NZ-OD2 2.95Å; K210-R257 HydrophobicContact CB-CB 3.72Å; K210-R257 HydrophobicContact CB-CG 3.76Å; K210-R257 HydrophobicContact CD-CG 4.08Å; K210-R257 PolarHBondContact O-N 2.92Å; K210-N293 PolarHBondContact NZ-ND2 2.9Å; K210-I296 HydrophobicContact CB-CD1 3.97Å; K210-I296 HydrophobicContact CB-CG1 4.36Å; K210-I296 HydrophobicContact CD-CG1 4.08Å; K210-I296 HydrophobicContact CG-CD1 4.1Å; K210-I296 HydrophobicContact CG-CG1 4.13Å |
| 211 | T | 81.8 | Confident | 86.2 | Confident | 7 Ų | 7 | 21.2 Ų | 21.2 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 163.5 | 165.4 | 67 | 0 | 0 | 0 | 0 | 110.1 | R213 N214 S217 E256 | T211-R213 PolarHBondContact O-N 3.03Å; T211-N214 PolarHBondContact N-O 3.26Å; T211-N214 CarbonylContact O-C 3.51Å; T211-N214 PolarHBondContact O-N 3.24Å; T211-N214 VanDerWaalsContact O-N 3.08Å; T211-N214 VanDerWaalsContact O-O 3.13Å; T211-S217 PolarHBondContact OG1-OG 3.19Å; T211-E256 WeakPolarHBondContact CA-OE1 3.49Å; T211-E256 WeakPolarHBondContact CB-OE1 3.45Å; T211-E256 WeakPolarHBondContact CG2-OE1 3.16Å |
| 212 | T | 77 | Confident | 86.1 | Confident | 79 Ų | 79 | 19.5 Ų | 19.5 | 49% | 0.485 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -12.4 | 179.4 | 56.8 | 0 | 0 | 0 | 0 | 115.3 | D255 E256 | T212-D255 HydrophobicContact CG2-CB 4.49Å; T212-E256 HydrophobicContact CG2-CG 4.07Å |
| 213 | R | 70.8 | Confident | 85.9 | Confident | 73 Ų | 73 | 19.5 Ų | 19.5 | 28% | 0.275 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -15 | -179.7 | -64.4 | -174.9 | 177.7 | 165.6 | 4.6 | 114.9 | T211 T444 K653 | T211-R213 PolarHBondContact O-N 3.03Å; R213-T444 PolarHBondContact NH1-O 2.76Å; R213-T444 PolarHBondContact NH2-O 2.87Å; R213-K653 PolarHBondContact O-NZ 2.81Å |
| 214 | N | 77.1 | Confident | 85.9 | Confident | 30 Ų | 30 | 19.8 Ų | 19.8 | 16% | 0.16 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 131.5 | -174.7 | 178.4 | 23.3 | 0 | 0 | 0 | 111.8 | S165 G166 T211 N216 S217 | S165-N214 WeakPolarHBondContact OG-CB 3.44Å; S165-N214 PolarHBondContact OG-ND2 2.67Å; G166-N214 PolarHBondContact N-ND2 3.19Å; G166-N214 VanDerWaalsContact N-ND2 3.14Å; T211-N214 PolarHBondContact N-O 3.26Å; T211-N214 CarbonylContact O-C 3.51Å; T211-N214 PolarHBondContact O-N 3.24Å; T211-N214 VanDerWaalsContact O-N 3.08Å; T211-N214 VanDerWaalsContact O-O 3.13Å; N214-N216 VanDerWaalsContact ND2-C 3.35Å; N214-N216 PolarHBondContact ND2-O 3.39Å; N214-N216 PolarHBondContact O-N 2.87Å; N214-N216 PolarHBondContact OD1-N 3.49Å; N214-S217 WeakPolarHBondContact ND2-CA 3.42Å |
| 215 | D | 83.1 | Confident | 86 | Confident | 49 Ų | 49 | 18.1 Ų | 18.1 | 26% | 0.262 | 9% | 0.094 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -26.8 | -173.5 | -36.5 | -37.8 | 0 | 0 | 0 | 113.4 | K210 H260 I296 K658 | K210-D215 WeakPolarHBondContact CA-O 3.5Å; D215-H260 PolarHBondContact O-CE1 3.06Å; D215-H260 VanDerWaalsContact O-CE1 3.22Å; D215-I296 HydrophobicContact CB-CD1 4.3Å; D215-I296 HydrophobicContact CB-CG2 3.81Å; D215-K658 IonicContact OD1-NZ 2.68Å; D215-K658 PolarHBondContact OD1-NZ 2.95Å; D215-K658 IonicContact OD2-NZ 3.71Å; D215-K658 PolarHBondContact OD2-NZ 3.02Å |
| 216 | N | 84.8 | Confident | 85.8 | Confident | 63 Ų | 63 | 18.3 Ų | 18.3 | 34% | 0.337 | 10% | 0.095 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 74.5 | 178.2 | -176.9 | 1.8 | 0 | 0 | 0 | 108.6 | E204 N208 N214 | E204-N216 PolarHBondContact OE2-ND2 3.45Å; N208-N216 WeakPolarHBondContact CB-OD1 3.49Å; N208-N216 PolarHBondContact ND2-OD1 3.18Å; N214-N216 VanDerWaalsContact ND2-C 3.35Å; N214-N216 PolarHBondContact ND2-O 3.39Å; N214-N216 PolarHBondContact O-N 2.87Å; N214-N216 PolarHBondContact OD1-N 3.49Å |
| 217 | S | 82.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.4 | -172.4 | -165.4 | 0 | 0 | 0 | 0 | 110.7 | S165 N208 A209 T211 N214 R219 | S165-S217 WeakPolarHBondContact OG-CB 3.27Å; S165-S217 PolarHBondContact OG-OG 3.2Å; N208-S217 VanDerWaalsContact CA-O 3.29Å; N208-S217 WeakPolarHBondContact CA-O 3.27Å; A209-S217 PolarHBondContact N-O 3.16Å; A209-S217 WeakPolarHBondContact O-CA 3.41Å; A209-S217 WeakPolarHBondContact O-CB 3.45Å; A209-S217 PolarHBondContact O-N 2.88Å; T211-S217 PolarHBondContact OG1-OG 3.19Å; N214-S217 WeakPolarHBondContact ND2-CA 3.42Å; S217-R219 WeakPolarHBondContact O-CG 3.46Å; S217-R219 PolarHBondContact O-N 3.28Å |
| 218 | S | 85.3 | Confident | 85.4 | Confident | 21 Ų | 21 | 18.5 Ų | 18.5 | 15% | 0.147 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 117.7 | 177.4 | -41 | 0 | 0 | 0 | 0 | 111.4 | N208 Y440 | N208-S218 VanDerWaalsContact CG-CA 3.48Å; N208-S218 PolarHBondContact ND2-OG 3.31Å; N208-S218 VanDerWaalsContact ND2-OG 3.17Å; N208-S218 VanDerWaalsContact OD1-CA 3.31Å; N208-S218 WeakPolarHBondContact OD1-CA 3.46Å; S218-Y440 WeakPolarHBondContact O-CD1 3.49Å; S218-Y440 WeakPolarHBondContact O-CE1 3.19Å |
| 219 | R | 85.4 | Confident | 85.3 | Confident | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | trans | -111.3 | 25.2 | 178.7 | -46.8 | -53.3 | -65.4 | 164.3 | -5.4 | 112.7 | G207 A209 S217 L244 E245 Y259 Y440 E443 | G207-R219 PolarHBondContact O-N 3.37Å; A209-R219 HydrophobicContact CB-CG 4.46Å; S217-R219 WeakPolarHBondContact O-CG 3.46Å; S217-R219 PolarHBondContact O-N 3.28Å; R219-L244 WeakPolarHBondContact O-CA 3.32Å; R219-E245 HydrophobicContact CB-CB 3.81Å; R219-E245 WeakPolarHBondContact CG-OE2 3.31Å; R219-E245 IonicContact CZ-OE1 3.79Å; R219-E245 IonicContact CZ-OE2 3.57Å; R219-E245 VanDerWaalsContact NE-CD 3.32Å; R219-E245 IonicContact NE-OE1 2.84Å; R219-E245 PolarHBondContact NE-OE1 3.24Å; R219-E245 IonicContact NE-OE2 3.71Å; R219-E245 PolarHBondContact NE-OE2 2.97Å; R219-E245 IonicContact NH2-OE1 2.7Å; R219-E245 PolarHBondContact NH2-OE1 2.61Å; R219-E245 IonicContact NH2-OE2 2.77Å; R219-E245 PolarHBondContact O-N 2.91Å; R219-Y259 HydrophobicContact CB-CE1 4.15Å; R219-Y440 PolarHBondContact O-OH 3.44Å; R219-E443 IonicContact CZ-OE1 3.55Å; R219-E443 IonicContact CZ-OE2 2.78Å; R219-E443 IonicContact NH1-OE1 3.61Å; R219-E443 PolarHBondContact NH1-OE1 3.48Å; R219-E443 IonicContact NH1-OE2 3.36Å; R219-E443 PolarHBondContact NH1-OE2 3.24Å; R219-E443 IonicContact NH2-OE1 3.79Å; R219-E443 IonicContact NH2-OE2 3.84Å; R219-E443 PolarHBondContact NH2-OE2 2.87Å | ||
| 220 | F | 86.4 | Confident | 85.2 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 2% | 0.022 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -137.8 | 150.7 | 160.8 | 73.9 | -71.1 | 0 | 0 | 0 | 108.3 | M203 G207 K222 T241 Y242 L244 F413 Y440 | M203-F220 HydrophobicContact CB-CZ 3.89Å; M203-F220 HydrophobicContact CE-CD2 4.16Å; M203-F220 HydrophobicContact CE-CE1 4.4Å; M203-F220 HydrophobicContact CE-CE2 3.5Å; M203-F220 HydrophobicContact CE-CZ 3.67Å; M203-F220 WeakPolarHBondContact O-CE1 3.43Å; G207-F220 VanDerWaalsContact CA-CD1 3.49Å; G207-F220 WeakPolarHBondContact O-CD1 3.28Å; F220-K222 HydrophobicContact CD2-CB 4.27Å; F220-K222 HydrophobicContact CE2-CB 3.58Å; F220-K222 HydrophobicContact CE2-CD 4.01Å; F220-K222 HydrophobicContact CE2-CG 3.87Å; F220-K222 HydrophobicContact CZ-CB 4.16Å; F220-K222 HydrophobicContact CZ-CD 4.01Å; F220-K222 HydrophobicContact CZ-CG 4.37Å; F220-T241 HydrophobicContact CD2-CG2 3.69Å; F220-T241 HydrophobicContact CE2-CG2 3.83Å; F220-Y242 CarbonylContact C-O 3.56Å; F220-L244 HydrophobicContact CB-CB 4.38Å; F220-L244 HydrophobicContact CB-CD1 3.98Å; F220-F413 HydrophobicContact CB-CZ 4.01Å; F220-F413 HydrophobicContact CD1-CE2 4.47Å; F220-F413 HydrophobicContact CD1-CZ 4.32Å; F220-F413 AromaticContact CD2-CZ 3.81Å; F220-F413 HydrophobicContact CD2-CZ 3.81Å; F220-F413 HydrophobicContact CE2-CZ 4.39Å; F220-F413 HydrophobicContact CG-CE2 4.34Å; F220-F413 AromaticContact CG-CZ 3.76Å; F220-F413 HydrophobicContact CG-CZ 3.76Å; F220-Y440 VanDerWaalsContact C-CE1 3.46Å; F220-Y440 VanDerWaalsContact C-OH 3.26Å; F220-Y440 WeakPolarHBondContact CA-OH 3.27Å; F220-Y440 PolarHBondContact N-OH 3.31Å |
| 221 | G | 83.3 | Confident | 85 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | T241 Y242 Y440 | G221-T241 WeakPolarHBondContact O-CA 3.35Å; G221-Y242 PolarHBondContact N-O 3.37Å; G221-Y242 PolarHBondContact O-N 2.9Å; G221-Y440 PolarHBondContact N-OH 2.59Å |
| 222 | K | 87.7 | Confident | 85.1 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.1 | -172.9 | -170.7 | 173.9 | 63.6 | -174.6 | 0 | 111 | N200 F220 I224 M239 D438 | N200-K222 PolarHBondContact OD1-NZ 3.25Å; F220-K222 HydrophobicContact CD2-CB 4.27Å; F220-K222 HydrophobicContact CE2-CB 3.58Å; F220-K222 HydrophobicContact CE2-CD 4.01Å; F220-K222 HydrophobicContact CE2-CG 3.87Å; F220-K222 HydrophobicContact CZ-CB 4.16Å; F220-K222 HydrophobicContact CZ-CD 4.01Å; F220-K222 HydrophobicContact CZ-CG 4.37Å; K222-I224 HydrophobicContact CD-CD1 3.99Å; K222-I224 HydrophobicContact CD-CG1 4.42Å; K222-I224 HydrophobicContact CG-CD1 4.21Å; K222-I224 HydrophobicContact CG-CG1 4.11Å; K222-M239 HydrophobicContact CD-CE 4.44Å; K222-M239 HydrophobicContact CD-SD 4.18Å; K222-M239 HydrophobicContact CG-CG 4.24Å; K222-M239 HydrophobicContact CG-SD 4.08Å; K222-D438 PolarHBondContact N-O 3.38Å; K222-D438 PolarHBondContact O-N 2.88Å |
| 223 | Y | 90 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 111.8 | 174.1 | -174.5 | -123.4 | 0 | 0 | 0 | 110.2 | Q225 M239 R240 V436 L437 T640 L641 | Y223-Q225 HydrophobicContact CD1-CG 3.79Å; Y223-Q225 HydrophobicContact CE1-CG 3.43Å; Y223-Q225 VanDerWaalsContact CE1-CG 3.43Å; Y223-M239 CarbonylContact O-C 3.6Å; Y223-M239 WeakPolarHBondContact O-CA 3.38Å; Y223-R240 PolarHBondContact N-O 3.07Å; Y223-R240 PolarHBondContact O-N 3.47Å; Y223-V436 CarbonylContact C-O 3.59Å; Y223-V436 WeakPolarHBondContact CA-O 3.46Å; Y223-L437 HydrophobicContact CD2-CB 3.82Å; Y223-L437 HydrophobicContact CD2-CD1 4.12Å; Y223-L437 HydrophobicContact CE2-CB 4.35Å; Y223-L437 HydrophobicContact CG-CD1 4.45Å; Y223-T640 HydrophobicContact CE1-CG2 3.81Å; Y223-L641 HydrophobicContact CE2-CD2 3.83Å |
| 224 | I | 90.1 | Very high | 86.2 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 110.5 | 179.9 | -63 | 170.3 | 0 | 0 | 0 | 108.7 | M177 K222 I226 A237 M239 G435 V436 | M177-I224 HydrophobicContact CE-CD1 4.15Å; M177-I224 HydrophobicContact SD-CB 4.36Å; M177-I224 HydrophobicContact SD-CD1 3.6Å; M177-I224 VanDerWaalsContact SD-CD1 3.6Å; M177-I224 HydrophobicContact SD-CG2 4.16Å; K222-I224 HydrophobicContact CD-CD1 3.99Å; K222-I224 HydrophobicContact CD-CG1 4.42Å; K222-I224 HydrophobicContact CG-CD1 4.21Å; K222-I224 HydrophobicContact CG-CG1 4.11Å; I224-I226 HydrophobicContact CG2-CG1 4.37Å; I224-A237 HydrophobicContact CG2-CB 4.37Å; I224-M239 HydrophobicContact CD1-CE 4.14Å; I224-M239 HydrophobicContact CG1-CB 4.48Å; I224-M239 HydrophobicContact CG1-CE 4.22Å; I224-M239 HydrophobicContact CG1-CG 4.06Å; I224-G435 CarbonylContact O-C 3.43Å; I224-G435 WeakPolarHBondContact O-CA 3.38Å; I224-V436 PolarHBondContact N-O 3.1Å; I224-V436 PolarHBondContact O-N 3.17Å |
| 225 | Q | 91.3 | Very high | 86.5 | Confident | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 106.2 | 173.2 | -54.2 | -176.1 | -85.9 | 0 | 0 | 108.8 | Y223 A237 N238 F433 | Y223-Q225 HydrophobicContact CD1-CG 3.79Å; Y223-Q225 HydrophobicContact CE1-CG 3.43Å; Y223-Q225 VanDerWaalsContact CE1-CG 3.43Å; Q225-A237 CarbonylContact O-C 3.55Å; Q225-A237 VanDerWaalsContact O-CA 3.25Å; Q225-A237 WeakPolarHBondContact O-CA 3.36Å; Q225-N238 HydrophobicContact CB-CB 4.4Å; Q225-N238 PolarHBondContact N-O 2.92Å; Q225-N238 PolarHBondContact O-N 2.78Å; Q225-N238 PolarHBondContact OE1-ND2 2.8Å; Q225-F433 HydrophobicContact CB-CB 4.46Å; Q225-F433 HydrophobicContact CB-CD2 4.33Å; Q225-F433 HydrophobicContact CB-CG 4.49Å; Q225-F433 HydrophobicContact CG-CD2 4.36Å |
| 226 | I | 90.1 | Very high | 86.6 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119.6 | 171.6 | -60.2 | 175.1 | 0 | 0 | 0 | 107.8 | M177 F180 I224 F228 I234 F433 I434 | M177-I226 HydrophobicContact CG-CD1 4.18Å; F180-I226 HydrophobicContact CB-CD1 4.13Å; F180-I226 HydrophobicContact CD2-CD1 3.71Å; F180-I226 HydrophobicContact CG-CD1 4.29Å; I224-I226 HydrophobicContact CG2-CG1 4.37Å; I226-F228 HydrophobicContact CB-CE2 4.02Å; I226-F228 HydrophobicContact CB-CZ 4.31Å; I226-F228 HydrophobicContact CG2-CD2 4.39Å; I226-F228 HydrophobicContact CG2-CE1 4.24Å; I226-F228 HydrophobicContact CG2-CE2 3.7Å; I226-F228 HydrophobicContact CG2-CZ 3.64Å; I226-F228 WeakPolarHBondContact O-CD2 3.42Å; I226-F228 WeakPolarHBondContact O-CE2 3.25Å; I226-I234 HydrophobicContact CG2-CD1 3.85Å; I226-I234 HydrophobicContact CG2-CG1 3.85Å; I226-I234 HydrophobicContact CG2-CG2 4.31Å; I226-F433 WeakPolarHBondContact O-CA 3.33Å; I226-F433 WeakPolarHBondContact O-CB 3.41Å; I226-I434 PolarHBondContact N-O 3.01Å; I226-I434 PolarHBondContact O-N 3.46Å |
| 227 | G | 89.8 | Confident | 86.8 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I235 G236 | G227-I235 WeakPolarHBondContact O-CG1 3.45Å; G227-I235 PolarHBondContact O-N 3.43Å; G227-G236 PolarHBondContact N-O 3.5Å |
| 228 | F | 88.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 147.1 | 178.6 | -61.9 | -87.8 | 0 | 0 | 0 | 111.9 | Y147 M150 F180 I226 Y232 H233 I234 H431 S432 I434 | Y147-F228 HydrophobicContact CD2-CE1 4.33Å; Y147-F228 HydrophobicContact CE2-CD1 4.36Å; Y147-F228 AromaticContact CE2-CE1 3.98Å; Y147-F228 HydrophobicContact CE2-CE1 3.98Å; M150-F228 HydrophobicContact CE-CB 4.26Å; M150-F228 HydrophobicContact CE-CD1 4.11Å; M150-F228 HydrophobicContact CE-CD2 3.65Å; M150-F228 HydrophobicContact CE-CE1 4.31Å; M150-F228 HydrophobicContact CE-CE2 3.93Å; M150-F228 HydrophobicContact CE-CG 3.74Å; M150-F228 HydrophobicContact CE-CZ 4.23Å; M150-F228 HydrophobicContact SD-CB 4.38Å; M150-F228 HydrophobicContact SD-CD2 3.6Å; M150-F228 HydrophobicContact SD-CE2 4.1Å; M150-F228 HydrophobicContact SD-CG 4.11Å; F180-F228 HydrophobicContact CB-CZ 4.31Å; F180-F228 HydrophobicContact CD1-CZ 4.33Å; F180-F228 HydrophobicContact CG-CZ 4.37Å; I226-F228 HydrophobicContact CB-CE2 4.02Å; I226-F228 HydrophobicContact CB-CZ 4.31Å; I226-F228 HydrophobicContact CG2-CD2 4.39Å; I226-F228 HydrophobicContact CG2-CE1 4.24Å; I226-F228 HydrophobicContact CG2-CE2 3.7Å; I226-F228 HydrophobicContact CG2-CZ 3.64Å; I226-F228 WeakPolarHBondContact O-CD2 3.42Å; I226-F228 WeakPolarHBondContact O-CE2 3.25Å; F228-Y232 WeakPolarHBondContact CD1-O 3.47Å; F228-H233 WeakPolarHBondContact CA-O 3.38Å; F228-I234 HydrophobicContact CD1-CG1 3.74Å; F228-I234 HydrophobicContact CE1-CD1 4.09Å; F228-I234 HydrophobicContact CE1-CG1 3.39Å; F228-I234 HydrophobicContact CZ-CG1 4.13Å; F228-H431 WeakPolarHBondContact O-CB 3.42Å; F228-H431 PolarHBondContact O-N 3.16Å; F228-S432 PolarHBondContact N-O 3.03Å; F228-S432 PolarHBondContact O-N 2.92Å; F228-I434 HydrophobicContact CD2-CG1 4.43Å; F228-I434 HydrophobicContact CE2-CB 3.96Å; F228-I434 HydrophobicContact CE2-CD1 3.92Å; F228-I434 HydrophobicContact CE2-CG1 3.68Å; F228-I434 HydrophobicContact CZ-CD1 4.08Å; F228-I434 HydrophobicContact CZ-CG1 4.34Å |
| 229 | S | 88.5 | Confident | 87.3 | Confident | 17 Ų | 17 | 31.1 Ų | 31.1 | 12% | 0.119 | 14% | 0.143 | C | C | . | . | trans | -76.8 | 174.2 | 170.8 | 66.2 | 0 | 0 | 0 | 0 | 112.1 | H231 Y232 H233 | S229-H231 PolarHBondContact O-N 3.47Å; S229-H231 PolarHBondContact OG-N 3.06Å; S229-Y232 WeakPolarHBondContact O-CA 3.42Å; S229-Y232 PolarHBondContact O-N 2.84Å; S229-H233 PolarHBondContact N-O 3.05Å; S229-H233 PolarHBondContact OG-N 3.04Å; S229-H233 VanDerWaalsContact OG-N 3.15Å; S229-H233 PolarHBondContact OG-O 2.9Å | ||
| 230 | R | 86.6 | Confident | 87.4 | Confident | 195 Ų | 195 | 34.5 Ų | 34.5 | 74% | 0.736 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17 | 174 | -166.9 | 172.8 | -172.3 | -158.5 | -0.1 | 114 | Y232 H431 | R230-Y232 VanDerWaalsContact C-N 3.33Å; R230-H431 HydrophobicContact CB-CB 4.43Å |
| 231 | H | 83.8 | Confident | 87.4 | Confident | 153 Ų | 153 | 35.7 Ų | 35.7 | 71% | 0.708 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 17.3 | 171.9 | -55.4 | 115.3 | 0 | 0 | 0 | 111.9 | S229 H233 | S229-H231 PolarHBondContact O-N 3.47Å; S229-H231 PolarHBondContact OG-N 3.06Å; H231-H233 PolarHBondContact O-N 3Å; H231-H233 PolarHBondContact O-ND1 3.33Å |
| 232 | Y | 84.6 | Confident | 87.3 | Confident | 49 Ų | 49 | 36.3 Ų | 36.3 | 19% | 0.192 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 57.3 | 12.9 | -177.8 | -52 | -66.2 | 0 | 0 | 0 | 115.9 | Y147 M150 A151 F228 S229 R230 | Y147-Y232 PolarHBondContact OH-O 2.82Å; M150-Y232 HydrophobicContact CE-CD1 4.02Å; A151-Y232 HydrophobicContact CB-CD1 4.37Å; A151-Y232 HydrophobicContact CB-CD2 4.02Å; A151-Y232 HydrophobicContact CB-CE1 4.08Å; A151-Y232 HydrophobicContact CB-CE2 3.69Å; A151-Y232 HydrophobicContact CB-CG 4.35Å; F228-Y232 WeakPolarHBondContact CD1-O 3.47Å; S229-Y232 WeakPolarHBondContact O-CA 3.42Å; S229-Y232 PolarHBondContact O-N 2.84Å; R230-Y232 VanDerWaalsContact C-N 3.33Å |
| 233 | H | 84.4 | Confident | 86.6 | Confident | 84 Ų | 84 | 37.9 Ų | 37.9 | 39% | 0.389 | 17% | 0.174 | S | C | . | . | trans | -77.6 | 145.7 | 169.9 | -65.1 | 46.6 | 0 | 0 | 0 | 111.3 | G184 F228 S229 H231 | G184-H233 VanDerWaalsContact O-CA 3.27Å; G184-H233 WeakPolarHBondContact O-CA 3.48Å; F228-H233 WeakPolarHBondContact CA-O 3.38Å; S229-H233 PolarHBondContact N-O 3.05Å; S229-H233 PolarHBondContact OG-N 3.04Å; S229-H233 VanDerWaalsContact OG-N 3.15Å; S229-H233 PolarHBondContact OG-O 2.9Å; H231-H233 PolarHBondContact O-N 3Å; H231-H233 PolarHBondContact O-ND1 3.33Å | ||
| 234 | I | 85.3 | Confident | 86.4 | Confident | 18 Ų | 18 | 39.3 Ų | 39.3 | 9% | 0.092 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 136.2 | 176.3 | -68.9 | 175 | 0 | 0 | 0 | 110.3 | F180 V192 I226 F228 | F180-I234 HydrophobicContact CB-CD1 4.22Å; F180-I234 VanDerWaalsContact O-CD1 3.26Å; F180-I234 WeakPolarHBondContact O-CD1 3.36Å; V192-I234 HydrophobicContact CB-CG2 4.17Å; V192-I234 HydrophobicContact CG1-CG2 3.75Å; I226-I234 HydrophobicContact CG2-CD1 3.85Å; I226-I234 HydrophobicContact CG2-CG1 3.85Å; I226-I234 HydrophobicContact CG2-CG2 4.31Å; F228-I234 HydrophobicContact CD1-CG1 3.74Å; F228-I234 HydrophobicContact CE1-CD1 4.09Å; F228-I234 HydrophobicContact CE1-CG1 3.39Å; F228-I234 HydrophobicContact CZ-CG1 4.13Å |
| 235 | I | 84.8 | Confident | 86 | Confident | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.077 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | -21.7 | 176.8 | 54.7 | 159 | 0 | 0 | 0 | 113.6 | G227 T426 T428 Q430 | G227-I235 WeakPolarHBondContact O-CG1 3.45Å; G227-I235 PolarHBondContact O-N 3.43Å; I235-T426 WeakPolarHBondContact O-CB 3.38Å; I235-T426 PolarHBondContact O-OG1 3.26Å; I235-T428 HydrophobicContact CD1-CG2 4.47Å; I235-T428 WeakPolarHBondContact CD1-O 3.34Å; I235-T428 HydrophobicContact CG2-CG2 3.97Å; I235-Q430 HydrophobicContact CD1-CB 3.96Å; I235-Q430 HydrophobicContact CD1-CG 4.4Å |
| 236 | G | 85.8 | Confident | 85.7 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | -177.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G227 L424 | G227-G236 PolarHBondContact N-O 3.5Å; G236-L424 CarbonylContact C-O 3.49Å; G236-L424 VanDerWaalsContact CA-O 3.23Å; G236-L424 WeakPolarHBondContact CA-O 3.44Å |
| 237 | A | 88.4 | Confident | 85.3 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 161 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V196 I224 Q225 L424 | V196-A237 HydrophobicContact CG2-CB 3.59Å; I224-A237 HydrophobicContact CG2-CB 4.37Å; Q225-A237 CarbonylContact O-C 3.55Å; Q225-A237 VanDerWaalsContact O-CA 3.25Å; Q225-A237 WeakPolarHBondContact O-CA 3.36Å; A237-L424 HydrophobicContact CB-CB 4.35Å; A237-L424 HydrophobicContact CB-CD1 4.28Å; A237-L424 PolarHBondContact N-O 3.06Å; A237-L424 CarbonylContact O-C 3.37Å; A237-L424 VanDerWaalsContact O-CB 3.28Å; A237-L424 WeakPolarHBondContact O-CB 3.17Å |
| 238 | N | 90 | Very high | 85.2 | Confident | 57 Ų | 57 | 42.9 Ų | 42.9 | 31% | 0.305 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 117.4 | 174.8 | 178.4 | 62.3 | 0 | 0 | 0 | 110.1 | Q225 | Q225-N238 HydrophobicContact CB-CB 4.4Å; Q225-N238 PolarHBondContact N-O 2.92Å; Q225-N238 PolarHBondContact O-N 2.78Å; Q225-N238 PolarHBondContact OE1-ND2 2.8Å |
| 239 | M | 88.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.3 | 176.9 | -167.5 | -178.8 | -55.7 | 0 | 0 | 110.5 | S199 M203 K222 Y223 I224 T241 I420 N421 | S199-M239 WeakPolarHBondContact OG-CE 3.4Å; M203-M239 HydrophobicContact CE-SD 4.14Å; M203-M239 HydrophobicContact CG-CE 3.94Å; M203-M239 HydrophobicContact CG-SD 3.8Å; M203-M239 HydrophobicContact SD-SD 4.04Å; K222-M239 HydrophobicContact CD-CE 4.44Å; K222-M239 HydrophobicContact CD-SD 4.18Å; K222-M239 HydrophobicContact CG-CG 4.24Å; K222-M239 HydrophobicContact CG-SD 4.08Å; Y223-M239 CarbonylContact O-C 3.6Å; Y223-M239 WeakPolarHBondContact O-CA 3.38Å; I224-M239 HydrophobicContact CD1-CE 4.14Å; I224-M239 HydrophobicContact CG1-CB 4.48Å; I224-M239 HydrophobicContact CG1-CE 4.22Å; I224-M239 HydrophobicContact CG1-CG 4.06Å; M239-T241 HydrophobicContact SD-CG2 4.34Å; M239-I420 HydrophobicContact CE-CG2 4.21Å; M239-N421 WeakPolarHBondContact CB-OD1 3.42Å; M239-N421 PolarHBondContact N-OD1 2.89Å; M239-N421 PolarHBondContact O-ND2 3.36Å; M239-N421 PolarHBondContact O-OD1 3.5Å |
| 240 | R | 87.3 | Confident | 85.4 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.9 | 165.6 | -58.9 | -175.7 | -171.7 | -179.1 | -1.2 | 108.8 | Y223 Y242 T640 | Y223-R240 PolarHBondContact N-O 3.07Å; Y223-R240 PolarHBondContact O-N 3.47Å; R240-Y242 HydrophobicContact CB-CD2 4.47Å; R240-Y242 HydrophobicContact CB-CE2 3.59Å; R240-Y242 WeakPolarHBondContact CD-OH 3.4Å; R240-T640 PolarHBondContact NH1-OG1 3.06Å |
| 241 | T | 86.9 | Confident | 85.4 | Confident | 30 Ų | 30 | 39.4 Ų | 39.4 | 18% | 0.184 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 144.6 | 178.2 | 44.2 | 0 | 0 | 0 | 0 | 110.6 | M203 F220 G221 M239 F413 V417 | M203-T241 HydrophobicContact CE-CG2 3.77Å; F220-T241 HydrophobicContact CD2-CG2 3.69Å; F220-T241 HydrophobicContact CE2-CG2 3.83Å; G221-T241 WeakPolarHBondContact O-CA 3.35Å; M239-T241 HydrophobicContact SD-CG2 4.34Å; T241-F413 HydrophobicContact CG2-CE1 3.83Å; T241-F413 HydrophobicContact CG2-CZ 3.95Å; T241-V417 HydrophobicContact CG2-CG1 4.13Å; T241-V417 HydrophobicContact CG2-CG2 3.67Å |
| 242 | Y | 79.8 | Confident | 85.5 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151.4 | -175.4 | -61.4 | -88.7 | 0 | 0 | 0 | 109.6 | F220 G221 R240 L244 S633 L637 | F220-Y242 CarbonylContact C-O 3.56Å; G221-Y242 PolarHBondContact N-O 3.37Å; G221-Y242 PolarHBondContact O-N 2.9Å; R240-Y242 HydrophobicContact CB-CD2 4.47Å; R240-Y242 HydrophobicContact CB-CE2 3.59Å; R240-Y242 WeakPolarHBondContact CD-OH 3.4Å; Y242-L244 VanDerWaalsContact C-N 3.35Å; Y242-L244 PolarHBondContact O-N 3.48Å; Y242-L244 VanDerWaalsContact O-N 3.16Å; Y242-S633 WeakPolarHBondContact CD1-OG 3.31Å; Y242-L637 HydrophobicContact CD1-CB 4.35Å; Y242-L637 HydrophobicContact CE1-CB 3.77Å; Y242-L637 HydrophobicContact CE2-CD1 3.95Å |
| 243 | L | 74.1 | Confident | 85.3 | Confident | 43 Ų | 43 | 32 Ų | 32 | 23% | 0.225 | 16% | 0.164 | C | C | . | . | trans | 59.7 | 28.3 | 160.7 | -40.5 | -167.9 | 0 | 0 | 0 | 117.2 | E245 I439 Y440 A458 F630 | L243-E245 PolarHBondContact O-N 3.06Å; L243-I439 HydrophobicContact CD1-CD1 4.47Å; L243-Y440 HydrophobicContact CB-CE2 3.9Å; L243-Y440 WeakPolarHBondContact CB-OH 3.21Å; L243-Y440 HydrophobicContact CD1-CE2 3.97Å; L243-Y440 HydrophobicContact CG-CE2 4.5Å; L243-Y440 PolarHBondContact O-OH 2.83Å; L243-A458 HydrophobicContact CD1-CB 3.93Å; L243-F630 HydrophobicContact CD1-CD2 4.49Å; L243-F630 HydrophobicContact CD1-CE2 3.85Å; L243-F630 HydrophobicContact CD1-CZ 4.46Å; L243-F630 HydrophobicContact CD2-CD2 3.14Å; L243-F630 HydrophobicContact CD2-CE2 3.33Å; L243-F630 HydrophobicContact CD2-CG 4.18Å; L243-F630 HydrophobicContact CD2-CZ 4.46Å; L243-F630 HydrophobicContact CG-CD2 4.43Å; L243-F630 HydrophobicContact CG-CE2 4.25Å | ||
| 244 | L | 85.2 | Confident | 85.2 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | trans | -51.5 | 122.7 | 177.2 | -178 | 70 | 0 | 0 | 0 | 111.7 | R219 F220 Y242 K246 Y259 Y409 F413 | R219-L244 WeakPolarHBondContact O-CA 3.32Å; F220-L244 HydrophobicContact CB-CB 4.38Å; F220-L244 HydrophobicContact CB-CD1 3.98Å; Y242-L244 VanDerWaalsContact C-N 3.35Å; Y242-L244 PolarHBondContact O-N 3.48Å; Y242-L244 VanDerWaalsContact O-N 3.16Å; L244-K246 PolarHBondContact O-N 3.02Å; L244-Y259 HydrophobicContact CD1-CE1 4.15Å; L244-Y259 VanDerWaalsContact CD1-OH 3.29Å; L244-Y259 WeakPolarHBondContact CD1-OH 3.47Å; L244-Y409 HydrophobicContact CD2-CD1 4.26Å; L244-Y409 HydrophobicContact CD2-CE1 4.4Å; L244-F413 HydrophobicContact CD1-CD2 4.01Å; L244-F413 HydrophobicContact CD1-CE1 4.48Å; L244-F413 HydrophobicContact CD1-CE2 3.76Å; L244-F413 HydrophobicContact CD1-CG 4.49Å; L244-F413 HydrophobicContact CD1-CZ 4.02Å; L244-F413 HydrophobicContact CD2-CB 4.03Å; L244-F413 HydrophobicContact CD2-CD1 3.92Å; L244-F413 HydrophobicContact CD2-CD2 4.03Å; L244-F413 HydrophobicContact CD2-CE1 4.37Å; L244-F413 HydrophobicContact CD2-CE2 4.48Å; L244-F413 HydrophobicContact CD2-CG 3.74Å | ||
| 245 | E | 82.8 | Confident | 85.2 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | trans | -71.3 | 70.3 | -179.4 | -168.6 | 178.3 | -121.5 | 0 | 0 | 112.1 | R219 L243 S247 R248 Y259 E451 | R219-E245 HydrophobicContact CB-CB 3.81Å; R219-E245 WeakPolarHBondContact CG-OE2 3.31Å; R219-E245 IonicContact CZ-OE1 3.79Å; R219-E245 IonicContact CZ-OE2 3.57Å; R219-E245 VanDerWaalsContact NE-CD 3.32Å; R219-E245 IonicContact NE-OE1 2.84Å; R219-E245 PolarHBondContact NE-OE1 3.24Å; R219-E245 IonicContact NE-OE2 3.71Å; R219-E245 PolarHBondContact NE-OE2 2.97Å; R219-E245 IonicContact NH2-OE1 2.7Å; R219-E245 PolarHBondContact NH2-OE1 2.61Å; R219-E245 IonicContact NH2-OE2 2.77Å; R219-E245 PolarHBondContact O-N 2.91Å; L243-E245 PolarHBondContact O-N 3.06Å; E245-S247 PolarHBondContact O-N 3.44Å; E245-R248 HydrophobicContact CG-CB 4.33Å; E245-R248 WeakPolarHBondContact O-CB 3.41Å; E245-R248 PolarHBondContact O-N 3.3Å; E245-R248 IonicContact OE1-NH2 3.63Å; E245-R248 IonicContact OE2-CZ 3.88Å; E245-R248 IonicContact OE2-NE 2.75Å; E245-R248 PolarHBondContact OE2-NE 3.14Å; E245-R248 IonicContact OE2-NH2 2.99Å; E245-R248 PolarHBondContact OE2-NH2 2.89Å; E245-Y259 PolarHBondContact O-OH 2.95Å; E245-Y259 VanDerWaalsContact O-OH 3.06Å; E245-E451 HydrophobicContact CG-CG 4.35Å | ||
| 246 | K | 84.6 | Confident | 85.3 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 19% | 0.191 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -51.2 | -35.5 | -175.8 | -54.8 | -173 | -161.9 | 172.7 | 0 | 113.4 | L244 R248 V249 K406 A410 D570 | L244-K246 PolarHBondContact O-N 3.02Å; K246-R248 PolarHBondContact O-N 3.5Å; K246-V249 WeakPolarHBondContact O-CB 3.5Å; K246-V249 VanDerWaalsContact O-CG2 3.31Å; K246-V249 WeakPolarHBondContact O-CG2 3.46Å; K246-V249 PolarHBondContact O-N 3.43Å; K246-V249 VanDerWaalsContact O-N 3.1Å; K246-K406 HydrophobicContact CB-CB 4.23Å; K246-K406 HydrophobicContact CB-CD 4.02Å; K246-K406 HydrophobicContact CB-CG 4.16Å; K246-K406 WeakPolarHBondContact O-CG 3.5Å; K246-A410 HydrophobicContact CD-CB 4.35Å; K246-D570 IonicContact NZ-OD2 3.92Å; K246-D570 PolarHBondContact NZ-OD2 3.03Å |
| 247 | S | 82 | Confident | 85.6 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -55.8 | -31.7 | 179.6 | 24.3 | 0 | 0 | 0 | 0 | 113 | E245 V249 V250 F251 E451 | E245-S247 PolarHBondContact O-N 3.44Å; S247-V249 PolarHBondContact O-N 2.91Å; S247-V250 WeakPolarHBondContact O-CG2 3.41Å; S247-V250 PolarHBondContact O-N 3.45Å; S247-V250 VanDerWaalsContact O-N 3.13Å; S247-F251 PolarHBondContact O-N 3.33Å; S247-E451 VanDerWaalsContact CB-OE1 3.3Å; S247-E451 WeakPolarHBondContact CB-OE1 3.42Å; S247-E451 PolarHBondContact OG-OE1 3.37Å |
| 248 | R | 87.9 | Confident | 85.9 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -60.6 | -26.1 | 177.9 | -173.4 | 162.5 | -61 | -81.5 | -9.5 | 114.2 | E245 K246 V250 F251 Q252 E256 R257 N258 Y259 | E245-R248 HydrophobicContact CG-CB 4.33Å; E245-R248 WeakPolarHBondContact O-CB 3.41Å; E245-R248 PolarHBondContact O-N 3.3Å; E245-R248 IonicContact OE1-NH2 3.63Å; E245-R248 IonicContact OE2-CZ 3.88Å; E245-R248 IonicContact OE2-NE 2.75Å; E245-R248 PolarHBondContact OE2-NE 3.14Å; E245-R248 IonicContact OE2-NH2 2.99Å; E245-R248 PolarHBondContact OE2-NH2 2.89Å; K246-R248 PolarHBondContact O-N 3.5Å; R248-V250 PolarHBondContact O-N 3.34Å; R248-F251 WeakPolarHBondContact CA-O 3.39Å; R248-Q252 PolarHBondContact O-NE2 3.09Å; R248-E256 IonicContact CZ-OE2 3.5Å; R248-E256 IonicContact NH1-OE2 3.18Å; R248-E256 PolarHBondContact NH1-OE2 3.44Å; R248-E256 IonicContact NH2-OE2 3.94Å; R248-E256 PolarHBondContact NH2-OE2 2.83Å; R248-R257 PolarHBondContact NH1-O 3.41Å; R248-N258 PolarHBondContact O-ND2 3.04Å; R248-N258 PolarHBondContact O-OD1 3.48Å; R248-N258 VanDerWaalsContact O-OD1 3.06Å; R248-Y259 HydrophobicContact CB-CE2 4.02Å; R248-Y259 HydrophobicContact CG-CE2 4.31Å |
| 249 | V | 91.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -60.9 | -31.1 | 178 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | K246 S247 N258 Y259 I332 K406 Y409 | K246-V249 WeakPolarHBondContact O-CB 3.5Å; K246-V249 VanDerWaalsContact O-CG2 3.31Å; K246-V249 WeakPolarHBondContact O-CG2 3.46Å; K246-V249 PolarHBondContact O-N 3.43Å; K246-V249 VanDerWaalsContact O-N 3.1Å; S247-V249 PolarHBondContact O-N 2.91Å; V249-N258 PolarHBondContact O-ND2 3.36Å; V249-Y259 HydrophobicContact CG2-CD2 4.2Å; V249-Y259 HydrophobicContact CG2-CE2 3.8Å; V249-I332 HydrophobicContact CG1-CG2 3.92Å; V249-K406 HydrophobicContact CB-CG 4.41Å; V249-Y409 HydrophobicContact CG1-CD2 4.35Å; V249-Y409 HydrophobicContact CG1-CG 4.21Å; V249-Y409 HydrophobicContact CG2-CD1 3.55Å; V249-Y409 HydrophobicContact CG2-CD2 4.2Å; V249-Y409 HydrophobicContact CG2-CE1 4.17Å; V249-Y409 HydrophobicContact CG2-CG 3.57Å |
| 250 | V | 89.1 | Confident | 86.5 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -11.2 | -169 | -58.9 | 0 | 0 | 0 | 0 | 114.2 | S247 R248 Y287 L290 D402 A405 K406 | S247-V250 WeakPolarHBondContact O-CG2 3.41Å; S247-V250 PolarHBondContact O-N 3.45Å; S247-V250 VanDerWaalsContact O-N 3.13Å; R248-V250 PolarHBondContact O-N 3.34Å; V250-Y287 HydrophobicContact CB-CD1 4.12Å; V250-Y287 HydrophobicContact CB-CE1 3.69Å; V250-Y287 HydrophobicContact CG1-CD1 4.37Å; V250-Y287 HydrophobicContact CG1-CE1 3.78Å; V250-Y287 HydrophobicContact CG1-CE2 4.05Å; V250-L290 WeakPolarHBondContact O-CD1 3.31Å; V250-D402 HydrophobicContact CB-CB 4.18Å; V250-D402 HydrophobicContact CG1-CB 4.1Å; V250-D402 HydrophobicContact CG2-CB 4.21Å; V250-A405 HydrophobicContact CG1-CB 3.8Å; V250-K406 HydrophobicContact CG1-CG 3.97Å; V250-K406 HydrophobicContact CG2-CD 4.03Å; V250-K406 HydrophobicContact CG2-CG 4.12Å |
| 251 | F | 85.4 | Confident | 87 | Confident | 124 Ų | 124 | 31.6 Ų | 31.6 | 54% | 0.544 | 16% | 0.162 | S | C | . | . | trans | -143.6 | 140.9 | -178.9 | 173.8 | -95.6 | 0 | 0 | 0 | 110.5 | S247 R248 | S247-F251 PolarHBondContact O-N 3.33Å; R248-F251 WeakPolarHBondContact CA-O 3.39Å | ||
| 252 | Q | 85.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | trans | -134.4 | 151.3 | 169.2 | -60.1 | 87.3 | 51.7 | 0 | 0 | 108.8 | R248 E256 N258 Y287 | R248-Q252 PolarHBondContact O-NE2 3.09Å; Q252-E256 HydrophobicContact CB-CB 4.4Å; Q252-N258 HydrophobicContact CG-CB 4.35Å; Q252-N258 PolarHBondContact NE2-ND2 3.05Å; Q252-Y287 PolarHBondContact NE2-O 2.96Å; Q252-Y287 PolarHBondContact OE1-O 3.23Å | ||
| 253 | A | 81.4 | Confident | 88.1 | Confident | 43 Ų | 43 | 29.8 Ų | 29.8 | 36% | 0.355 | 15% | 0.152 | S | C | . | . | trans | -88.1 | 167.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D255 E256 G291 | A253-D255 PolarHBondContact O-N 3.44Å; A253-E256 HydrophobicContact CB-CG 4.23Å; A253-E256 WeakPolarHBondContact O-CB 3.49Å; A253-E256 PolarHBondContact O-N 3.44Å; A253-G291 VanDerWaalsContact O-CA 3.23Å; A253-G291 WeakPolarHBondContact O-CA 3.31Å | ||
| 254 | E | 83 | Confident | 89.1 | Confident | 155 Ų | 155 | 28.3 Ų | 28.3 | 72% | 0.724 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 133.9 | 175.3 | -167.1 | -177.4 | 156.7 | 0 | 0 | 111.8 | E256 | E254-E256 PolarHBondContact O-N 2.89Š|
| 255 | D | 84.4 | Confident | 89.5 | Confident | 63 Ų | 63 | 26.9 Ų | 26.9 | 34% | 0.337 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 4.2 | -173.9 | -160.2 | 56.6 | 0 | 0 | 0 | 116.4 | K210 T212 A253 G291 N293 | K210-D255 WeakPolarHBondContact CD-O 3.45Å; K210-D255 VanDerWaalsContact CE-O 3.32Å; K210-D255 WeakPolarHBondContact CE-O 3.46Å; K210-D255 PolarHBondContact NZ-O 3.39Å; K210-D255 IonicContact NZ-OD1 3.2Å; K210-D255 PolarHBondContact NZ-OD1 2.89Å; K210-D255 IonicContact NZ-OD2 2.74Å; K210-D255 PolarHBondContact NZ-OD2 2.95Å; T212-D255 HydrophobicContact CG2-CB 4.49Å; A253-D255 PolarHBondContact O-N 3.44Å; D255-G291 WeakPolarHBondContact CA-O 3.16Å; D255-G291 PolarHBondContact N-O 3.32Å; D255-N293 WeakPolarHBondContact OD1-CB 3.42Å; D255-N293 PolarHBondContact OD1-ND2 3.41Å |
| 256 | E | 87.1 | Confident | 90 | Very high | 21 Ų | 21 | 26.5 Ų | 26.5 | 10% | 0.098 | 14% | 0.135 | C | C | . | . | trans | -93.4 | 155.7 | 174.3 | -56.1 | -149.3 | 141.2 | 0 | 0 | 114.1 | T211 T212 R248 Q252 A253 E254 | T211-E256 WeakPolarHBondContact CA-OE1 3.49Å; T211-E256 WeakPolarHBondContact CB-OE1 3.45Å; T211-E256 WeakPolarHBondContact CG2-OE1 3.16Å; T212-E256 HydrophobicContact CG2-CG 4.07Å; R248-E256 IonicContact CZ-OE2 3.5Å; R248-E256 IonicContact NH1-OE2 3.18Å; R248-E256 PolarHBondContact NH1-OE2 3.44Å; R248-E256 IonicContact NH2-OE2 3.94Å; R248-E256 PolarHBondContact NH2-OE2 2.83Å; Q252-E256 HydrophobicContact CB-CB 4.4Å; A253-E256 HydrophobicContact CB-CG 4.23Å; A253-E256 WeakPolarHBondContact O-CB 3.49Å; A253-E256 PolarHBondContact O-N 3.44Å; E254-E256 PolarHBondContact O-N 2.89Å | ||
| 257 | R | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -108.7 | 159.8 | 170.9 | -65.7 | -152.4 | -53.5 | 171 | 3.9 | 111.9 | K210 R248 H260 Y263 N293 I294 I296 D301 | K210-R257 HydrophobicContact CB-CB 3.72Å; K210-R257 HydrophobicContact CB-CG 3.76Å; K210-R257 HydrophobicContact CD-CG 4.08Å; K210-R257 PolarHBondContact O-N 2.92Å; R248-R257 PolarHBondContact NH1-O 3.41Å; R257-H260 PolarHBondContact NH2-ND1 3.07Å; R257-Y263 HydrophobicContact CB-CD2 4.44Å; R257-Y263 HydrophobicContact CB-CE2 3.65Å; R257-Y263 HydrophobicContact CG-CE1 4.35Å; R257-Y263 HydrophobicContact CG-CE2 4.21Å; R257-Y263 VanDerWaalsContact NH1-CG 3.35Å; R257-N293 WeakPolarHBondContact CG-O 3.48Å; R257-I294 WeakPolarHBondContact CD-O 3.37Å; R257-I294 PolarHBondContact NH1-O 3.33Å; R257-I296 VanDerWaalsContact NH2-CD1 3.29Å; R257-D301 IonicContact CZ-OD1 3.3Å; R257-D301 IonicContact CZ-OD2 3.47Å; R257-D301 IonicContact NH1-OD1 2.8Å; R257-D301 IonicContact NH1-OD2 3.7Å; R257-D301 PolarHBondContact NH1-OD2 3.15Å; R257-D301 IonicContact NH2-OD1 3.76Å; R257-D301 PolarHBondContact NH2-OD1 2.99Å; R257-D301 IonicContact NH2-OD2 2.72Å; R257-D301 PolarHBondContact NH2-OD2 3.32Å | ||
| 258 | N | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -69 | -177.9 | 159.9 | -157.5 | -23.9 | 0 | 0 | 0 | 109.7 | A209 R248 V249 Q252 F262 Y263 Y287 T288 | A209-N258 WeakPolarHBondContact CB-O 3.44Å; R248-N258 PolarHBondContact O-ND2 3.04Å; R248-N258 PolarHBondContact O-OD1 3.48Å; R248-N258 VanDerWaalsContact O-OD1 3.06Å; V249-N258 PolarHBondContact O-ND2 3.36Å; Q252-N258 HydrophobicContact CG-CB 4.35Å; Q252-N258 PolarHBondContact NE2-ND2 3.05Å; N258-F262 HydrophobicContact CB-CD2 4.2Å; N258-F262 WeakPolarHBondContact OD1-CE2 3.46Å; N258-Y263 HydrophobicContact CB-CE2 3.88Å; N258-Y263 PolarHBondContact N-OH 3.07Å; N258-Y287 PolarHBondContact ND2-O 3.48Å; N258-T288 HydrophobicContact CB-CG2 4.33Å |
| 259 | Y | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -56.1 | 138.1 | 175.2 | -65.6 | -74.3 | 0 | 0 | 0 | 112.3 | I206 G207 N208 R219 L244 E245 R248 V249 I261 F262 Y409 | I206-Y259 WeakPolarHBondContact O-CD1 3.46Å; G207-Y259 WeakPolarHBondContact O-CE1 3.44Å; N208-Y259 WeakPolarHBondContact O-CA 3.39Å; R219-Y259 HydrophobicContact CB-CE1 4.15Å; L244-Y259 HydrophobicContact CD1-CE1 4.15Å; L244-Y259 VanDerWaalsContact CD1-OH 3.29Å; L244-Y259 WeakPolarHBondContact CD1-OH 3.47Å; E245-Y259 PolarHBondContact O-OH 2.95Å; E245-Y259 VanDerWaalsContact O-OH 3.06Å; R248-Y259 HydrophobicContact CB-CE2 4.02Å; R248-Y259 HydrophobicContact CG-CE2 4.31Å; V249-Y259 HydrophobicContact CG2-CD2 4.2Å; V249-Y259 HydrophobicContact CG2-CE2 3.8Å; Y259-I261 PolarHBondContact O-N 2.88Å; Y259-I261 VanDerWaalsContact O-N 3.09Å; Y259-F262 HydrophobicContact CD2-CE2 4.49Å; Y259-F262 PolarHBondContact O-N 3.24Å; Y259-F262 VanDerWaalsContact O-N 3.12Å; Y259-Y409 WeakPolarHBondContact CB-OH 3.19Å; Y259-Y409 AromaticContact CD2-CE1 3.68Å; Y259-Y409 HydrophobicContact CD2-CE1 3.68Å; Y259-Y409 HydrophobicContact CD2-CE2 4.35Å; Y259-Y409 AromaticContact CD2-CZ 3.58Å; Y259-Y409 WeakPolarHBondContact CD2-OH 3.26Å; Y259-Y409 HydrophobicContact CE2-CD1 4.37Å; Y259-Y409 AromaticContact CE2-CE1 3.73Å; Y259-Y409 HydrophobicContact CE2-CE1 3.73Å; Y259-Y409 HydrophobicContact CG-CE1 4.27Å; Y259-Y409 AromaticContact CG-CZ 3.92Å; Y259-Y409 VanDerWaalsContact CG-OH 3.31Å |
| 260 | H | 95.4 | Very high | 90.4 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 7% | 0.069 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55 | -34.6 | -171.5 | -64 | -51.4 | 0 | 0 | 0 | 113.6 | A205 N208 A209 D215 R257 F262 Y263 Q264 | A205-H260 PolarHBondContact O-N 3.35Å; N208-H260 VanDerWaalsContact C-CD2 3.41Å; N208-H260 PolarHBondContact O-CD2 2.83Å; N208-H260 PolarHBondContact O-N 2.95Å; N208-H260 VanDerWaalsContact O-N 3.13Å; A209-H260 PolarHBondContact N-NE2 2.89Å; D215-H260 PolarHBondContact O-CE1 3.06Å; D215-H260 VanDerWaalsContact O-CE1 3.22Å; R257-H260 PolarHBondContact NH2-ND1 3.07Å; H260-F262 PolarHBondContact O-N 2.9Å; H260-F262 VanDerWaalsContact O-N 3.09Å; H260-Y263 PolarHBondContact O-N 3.39Å; H260-Q264 WeakPolarHBondContact O-CB 3.42Å; H260-Q264 VanDerWaalsContact O-CG 3.31Å; H260-Q264 WeakPolarHBondContact O-CG 3.39Å; H260-Q264 PolarHBondContact O-N 2.85Å |
| 261 | I | 96.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53 | -31.8 | 179.7 | -170.9 | 58.5 | 0 | 0 | 0 | 113.6 | A205 I206 Y259 L265 F305 T308 F326 M329 | A205-I261 HydrophobicContact CB-CB 4.29Å; A205-I261 HydrophobicContact CB-CD1 4.41Å; A205-I261 VanDerWaalsContact O-CB 3.31Å; A205-I261 WeakPolarHBondContact O-CB 3.35Å; A205-I261 WeakPolarHBondContact O-CG2 3.47Å; A205-I261 PolarHBondContact O-N 3.43Å; I206-I261 HydrophobicContact CG2-CB 4.27Å; I206-I261 HydrophobicContact CG2-CG1 4.32Å; I206-I261 HydrophobicContact CG2-CG2 4.29Å; Y259-I261 PolarHBondContact O-N 2.88Å; Y259-I261 VanDerWaalsContact O-N 3.09Å; I261-L265 WeakPolarHBondContact O-CB 3.47Å; I261-L265 PolarHBondContact O-N 3.29Å; I261-F305 HydrophobicContact CD1-CD2 4.3Å; I261-F305 HydrophobicContact CD1-CE2 4.14Å; I261-T308 HydrophobicContact CD1-CG2 4.41Å; I261-F326 HydrophobicContact CD1-CE1 4.29Å; I261-M329 HydrophobicContact CG1-CE 4.42Å; I261-M329 HydrophobicContact CG2-CE 4.05Å; I261-M329 HydrophobicContact CG2-SD 4.41Å |
| 262 | F | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -46 | 177.6 | -65.9 | -65 | 0 | 0 | 0 | 111.9 | N258 Y259 H260 L265 C266 T288 M329 I332 L333 Y409 | N258-F262 HydrophobicContact CB-CD2 4.2Å; N258-F262 WeakPolarHBondContact OD1-CE2 3.46Å; Y259-F262 HydrophobicContact CD2-CE2 4.49Å; Y259-F262 PolarHBondContact O-N 3.24Å; Y259-F262 VanDerWaalsContact O-N 3.12Å; H260-F262 PolarHBondContact O-N 2.9Å; H260-F262 VanDerWaalsContact O-N 3.09Å; F262-L265 PolarHBondContact O-N 2.96Å; F262-C266 PolarHBondContact O-N 2.68Å; F262-C266 PolarHBondContact O-SG 3.22Å; F262-C266 VanDerWaalsContact O-SG 3.35Å; F262-T288 HydrophobicContact CB-CG2 3.71Å; F262-T288 HydrophobicContact CG-CG2 4.43Å; F262-M329 HydrophobicContact CE1-CB 4.33Å; F262-M329 HydrophobicContact CE1-SD 4.1Å; F262-M329 HydrophobicContact CZ-SD 4.24Å; F262-I332 HydrophobicContact CE1-CB 4.41Å; F262-I332 HydrophobicContact CE1-CG2 4.35Å; F262-I332 HydrophobicContact CZ-CG2 4.17Å; F262-L333 HydrophobicContact CB-CD2 4.28Å; F262-L333 HydrophobicContact CD1-CD1 3.95Å; F262-L333 HydrophobicContact CD1-CD2 3.63Å; F262-L333 HydrophobicContact CD1-CG 3.7Å; F262-L333 HydrophobicContact CE1-CD2 4.13Å; F262-L333 HydrophobicContact CE1-CG 4.11Å; F262-L333 HydrophobicContact CG-CD2 4.08Å; F262-Y409 HydrophobicContact CE1-CE2 4.46Å; F262-Y409 HydrophobicContact CE2-CD2 4.12Å; F262-Y409 AromaticContact CE2-CE2 3.61Å; F262-Y409 HydrophobicContact CE2-CE2 3.61Å; F262-Y409 AromaticContact CZ-CD2 3.64Å; F262-Y409 HydrophobicContact CZ-CD2 3.64Å; F262-Y409 AromaticContact CZ-CE2 3.47Å; F262-Y409 HydrophobicContact CZ-CE2 3.47Å; F262-Y409 VanDerWaalsContact CZ-CE2 3.47Å |
| 263 | Y | 94.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.3 | -39.3 | 177.2 | -56.4 | -90 | 0 | 0 | 0 | 111.4 | R257 N258 H260 L265 C266 A267 A282 T288 I294 | R257-Y263 HydrophobicContact CB-CD2 4.44Å; R257-Y263 HydrophobicContact CB-CE2 3.65Å; R257-Y263 HydrophobicContact CG-CE1 4.35Å; R257-Y263 HydrophobicContact CG-CE2 4.21Å; R257-Y263 VanDerWaalsContact NH1-CG 3.35Å; N258-Y263 HydrophobicContact CB-CE2 3.88Å; N258-Y263 PolarHBondContact N-OH 3.07Å; H260-Y263 PolarHBondContact O-N 3.39Å; Y263-L265 VanDerWaalsContact C-N 3.29Å; Y263-L265 PolarHBondContact O-N 2.72Å; Y263-C266 PolarHBondContact O-N 2.96Å; Y263-A267 WeakPolarHBondContact O-CB 3.34Å; Y263-A267 PolarHBondContact O-N 3.02Å; Y263-A282 HydrophobicContact CD1-CB 3.75Å; Y263-A282 HydrophobicContact CE1-CB 4.03Å; Y263-T288 HydrophobicContact CE1-CG2 4.09Å; Y263-T288 HydrophobicContact CE2-CG2 4.07Å; Y263-T288 WeakPolarHBondContact OH-CA 3.37Å; Y263-T288 PolarHBondContact OH-O 3.28Å; Y263-I294 HydrophobicContact CD1-CB 4.31Å; Y263-I294 HydrophobicContact CE1-CB 4.02Å; Y263-I294 HydrophobicContact CE1-CG2 4.14Å |
| 264 | Q | 94.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57 | -40.8 | 171 | -70.3 | -175.7 | 3.8 | 0 | 0 | 112.4 | H260 S268 D301 F305 T308 | H260-Q264 WeakPolarHBondContact O-CB 3.42Å; H260-Q264 VanDerWaalsContact O-CG 3.31Å; H260-Q264 WeakPolarHBondContact O-CG 3.39Å; H260-Q264 PolarHBondContact O-N 2.85Å; Q264-S268 WeakPolarHBondContact O-CB 3.48Å; Q264-S268 PolarHBondContact O-N 3.19Å; Q264-S268 PolarHBondContact O-OG 3.2Å; Q264-D301 HydrophobicContact CG-CB 4.1Å; Q264-D301 WeakPolarHBondContact CG-O 3.45Å; Q264-F305 HydrophobicContact CB-CB 3.92Å; Q264-F305 HydrophobicContact CB-CD2 3.81Å; Q264-F305 HydrophobicContact CB-CG 4.28Å; Q264-F305 HydrophobicContact CG-CB 4.49Å; Q264-T308 PolarHBondContact OE1-OG1 3.11Å |
| 265 | L | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.6 | -44.3 | 179.2 | -172.3 | 65 | 0 | 0 | 0 | 112.1 | I261 F262 Y263 S268 A269 L277 L279 F305 F326 M329 A330 | I261-L265 WeakPolarHBondContact O-CB 3.47Å; I261-L265 PolarHBondContact O-N 3.29Å; F262-L265 PolarHBondContact O-N 2.96Å; Y263-L265 VanDerWaalsContact C-N 3.29Å; Y263-L265 PolarHBondContact O-N 2.72Å; L265-S268 CarbonylContact O-C 3.59Å; L265-S268 WeakPolarHBondContact O-CA 3.12Å; L265-S268 WeakPolarHBondContact O-CB 3.43Å; L265-S268 PolarHBondContact O-N 3.4Å; L265-S268 VanDerWaalsContact O-N 3.09Å; L265-A269 PolarHBondContact O-N 2.84Å; L265-L277 HydrophobicContact CD1-CD1 4.14Å; L265-L279 HydrophobicContact CD1-CD1 4.13Å; L265-L279 HydrophobicContact CD2-CD1 4.16Å; L265-L279 HydrophobicContact CD2-CD2 4.47Å; L265-L279 HydrophobicContact CG-CD1 3.68Å; L265-F305 HydrophobicContact CD1-CE2 4.18Å; L265-F305 HydrophobicContact CD1-CZ 4.1Å; L265-F326 HydrophobicContact CD1-CB 4.04Å; L265-F326 HydrophobicContact CD1-CD1 4.34Å; L265-F326 HydrophobicContact CD1-CG 4.2Å; L265-M329 HydrophobicContact CD2-CB 3.94Å; L265-A330 HydrophobicContact CD2-CB 4.4Å |
| 266 | C | 93.1 | Very high | 90.5 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 8% | 0.081 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.9 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | F262 Y263 S268 A269 A282 | F262-C266 PolarHBondContact O-N 2.68Å; F262-C266 PolarHBondContact O-SG 3.22Å; F262-C266 VanDerWaalsContact O-SG 3.35Å; Y263-C266 PolarHBondContact O-N 2.96Å; C266-S268 PolarHBondContact O-N 2.91Å; C266-S268 VanDerWaalsContact O-N 3.14Å; C266-A269 WeakPolarHBondContact O-CB 3.28Å; C266-A269 PolarHBondContact O-N 3.24Å; C266-A282 HydrophobicContact CB-CB 4.31Å |
| 267 | A | 91.5 | Very high | 90.6 | Very high | 51 Ų | 51 | 35.9 Ų | 35.9 | 42% | 0.421 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62 | -20.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | Y263 D301 A302 | Y263-A267 WeakPolarHBondContact O-CB 3.34Å; Y263-A267 PolarHBondContact O-N 3.02Å; A267-D301 HydrophobicContact CB-CB 4.23Å; A267-A302 HydrophobicContact CB-CB 4.05Å |
| 268 | S | 91 | Very high | 90.5 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -1.8 | 176.4 | -57.6 | 0 | 0 | 0 | 0 | 113.9 | Q264 L265 C266 S270 L271 F305 | Q264-S268 WeakPolarHBondContact O-CB 3.48Å; Q264-S268 PolarHBondContact O-N 3.19Å; Q264-S268 PolarHBondContact O-OG 3.2Å; L265-S268 CarbonylContact O-C 3.59Å; L265-S268 WeakPolarHBondContact O-CA 3.12Å; L265-S268 WeakPolarHBondContact O-CB 3.43Å; L265-S268 PolarHBondContact O-N 3.4Å; L265-S268 VanDerWaalsContact O-N 3.09Å; C266-S268 PolarHBondContact O-N 2.91Å; C266-S268 VanDerWaalsContact O-N 3.14Å; S268-S270 PolarHBondContact O-N 3.35Å; S268-L271 WeakPolarHBondContact O-CB 3.44Å; S268-L271 WeakPolarHBondContact O-CG 3.25Å; S268-L271 PolarHBondContact O-N 3.28Å; S268-F305 VanDerWaalsContact OG-CD1 3.25Å; S268-F305 WeakPolarHBondContact OG-CD1 3.45Å |
| 269 | A | 87.6 | Confident | 90.3 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L265 C266 L271 L279 | L265-A269 PolarHBondContact O-N 2.84Å; C266-A269 WeakPolarHBondContact O-CB 3.28Å; C266-A269 PolarHBondContact O-N 3.24Å; A269-L271 VanDerWaalsContact C-N 3.29Å; A269-L271 PolarHBondContact O-N 3.31Å; A269-L279 HydrophobicContact CB-CB 3.6Å; A269-L279 HydrophobicContact CB-CD1 4.41Å |
| 270 | S | 84.9 | Confident | 90 | Very high | 100 Ų | 100 | 42.9 Ų | 42.9 | 70% | 0.699 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -14 | 177.2 | 60 | 0 | 0 | 0 | 0 | 114.3 | S268 | S268-S270 PolarHBondContact O-N 3.35Š|
| 271 | L | 86.9 | Confident | 89.8 | Confident | 65 Ų | 65 | 44.5 Ų | 44.5 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -67.7 | 141.7 | -179 | -65.5 | 178 | 0 | 0 | 0 | 111.8 | S268 A269 E273 F274 | S268-L271 WeakPolarHBondContact O-CB 3.44Å; S268-L271 WeakPolarHBondContact O-CG 3.25Å; S268-L271 PolarHBondContact O-N 3.28Å; A269-L271 VanDerWaalsContact C-N 3.29Å; A269-L271 PolarHBondContact O-N 3.31Å; L271-E273 VanDerWaalsContact C-N 3.27Å; L271-E273 HydrophobicContact CB-CG 4.44Å; L271-E273 PolarHBondContact O-N 3.4Å; L271-F274 HydrophobicContact CB-CD2 4.01Å; L271-F274 HydrophobicContact CD1-CD2 4.17Å; L271-F274 HydrophobicContact CD1-CE2 3.94Å; L271-F274 PolarHBondContact O-N 2.88Å |
| 272 | P | 85.3 | Confident | 89.5 | Confident | 101 Ų | 101 | 44.8 Ų | 44.8 | 66% | 0.656 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -56.1 | -38.5 | -176.4 | -26 | 35.2 | 0 | 0 | 0 | 113.9 | F274 K275 | P272-F274 PolarHBondContact O-N 3.29Å; P272-K275 PolarHBondContact O-N 2.98Å |
| 273 | E | 83 | Confident | 89.2 | Confident | 92 Ų | 92 | 50.3 Ų | 50.3 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -69.2 | -11.8 | -179.9 | 64.8 | -120.4 | -112.5 | 0 | 0 | 115 | L271 R309 | L271-E273 VanDerWaalsContact C-N 3.27Å; L271-E273 HydrophobicContact CB-CG 4.44Å; L271-E273 PolarHBondContact O-N 3.4Å; E273-R309 IonicContact OE1-CZ 3.83Å; E273-R309 IonicContact OE1-NH1 2.73Å; E273-R309 PolarHBondContact OE1-NH1 3.43Å; E273-R309 IonicContact OE1-NH2 3.86Å; E273-R309 PolarHBondContact OE1-NH2 3.42Å |
| 274 | F | 87.1 | Confident | 89 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -111.4 | 0.8 | -178.7 | -59.2 | -36.4 | 0 | 0 | 0 | 114.4 | L271 P272 D276 L277 F305 F326 | L271-F274 HydrophobicContact CB-CD2 4.01Å; L271-F274 HydrophobicContact CD1-CD2 4.17Å; L271-F274 HydrophobicContact CD1-CE2 3.94Å; L271-F274 PolarHBondContact O-N 2.88Å; P272-F274 PolarHBondContact O-N 3.29Å; F274-D276 PolarHBondContact O-N 3.14Å; F274-L277 HydrophobicContact CB-CD1 3.99Å; F274-L277 HydrophobicContact CB-CG 4.29Å; F274-L277 HydrophobicContact CD1-CD1 3.59Å; F274-L277 HydrophobicContact CD1-CG 4.3Å; F274-L277 HydrophobicContact CE1-CD1 4.41Å; F274-L277 HydrophobicContact CG-CD1 3.99Å; F274-L277 WeakPolarHBondContact O-CA 3.18Å; F274-L277 VanDerWaalsContact O-CB 3.24Å; F274-L277 WeakPolarHBondContact O-CB 3.44Å; F274-L277 PolarHBondContact O-N 3.42Å; F274-F305 HydrophobicContact CE2-CD1 4.43Å; F274-F305 AromaticContact CE2-CE1 3.43Å; F274-F305 HydrophobicContact CE2-CE1 3.43Å; F274-F305 VanDerWaalsContact CE2-CE1 3.43Å; F274-F305 AromaticContact CE2-CZ 3.84Å; F274-F305 HydrophobicContact CE2-CZ 3.84Å; F274-F305 AromaticContact CZ-CE1 3.56Å; F274-F305 HydrophobicContact CZ-CE1 3.56Å; F274-F305 AromaticContact CZ-CZ 3.67Å; F274-F305 HydrophobicContact CZ-CZ 3.67Å; F274-F326 AromaticContact CE1-CD2 3.8Å; F274-F326 HydrophobicContact CE1-CD2 3.8Å; F274-F326 HydrophobicContact CE1-CE2 4.47Å; F274-F326 HydrophobicContact CZ-CD2 4Å; F274-F326 HydrophobicContact CZ-CE2 4.27Å |
| 275 | K | 85 | Confident | 89 | Confident | 146 Ų | 146 | 53.2 Ų | 53.2 | 64% | 0.635 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -57.5 | -36.3 | 172.7 | -69.3 | -174.1 | 174.6 | -174.6 | 0 | 112.7 | P272 L277 S278 | P272-K275 PolarHBondContact O-N 2.98Å; K275-L277 PolarHBondContact O-N 2.88Å; K275-S278 PolarHBondContact O-N 3.23Å; K275-S278 VanDerWaalsContact O-N 3.16Å |
| 276 | D | 85.3 | Confident | 89 | Confident | 115 Ų | 115 | 55.8 Ų | 55.8 | 62% | 0.615 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -65 | -18 | 175.1 | -76.4 | -10.3 | 0 | 0 | 0 | 113.5 | F274 S278 R363 | F274-D276 PolarHBondContact O-N 3.14Å; D276-S278 VanDerWaalsContact C-N 3.33Å; D276-R363 VanDerWaalsContact O-CZ 3.28Å; D276-R363 PolarHBondContact O-NH1 2.9Å; D276-R363 PolarHBondContact O-NH2 3.44Å |
| 277 | L | 89.4 | Confident | 89 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -79.3 | -13.8 | 176.4 | -56.3 | -174.7 | 0 | 0 | 0 | 113.2 | L265 F274 K275 L279 F326 K327 A330 H334 L364 | L265-L277 HydrophobicContact CD1-CD1 4.14Å; F274-L277 HydrophobicContact CB-CD1 3.99Å; F274-L277 HydrophobicContact CB-CG 4.29Å; F274-L277 HydrophobicContact CD1-CD1 3.59Å; F274-L277 HydrophobicContact CD1-CG 4.3Å; F274-L277 HydrophobicContact CE1-CD1 4.41Å; F274-L277 HydrophobicContact CG-CD1 3.99Å; F274-L277 WeakPolarHBondContact O-CA 3.18Å; F274-L277 VanDerWaalsContact O-CB 3.24Å; F274-L277 WeakPolarHBondContact O-CB 3.44Å; F274-L277 PolarHBondContact O-N 3.42Å; K275-L277 PolarHBondContact O-N 2.88Å; L277-L279 HydrophobicContact CB-CD1 3.74Å; L277-L279 HydrophobicContact CB-CG 3.8Å; L277-L279 HydrophobicContact CD1-CD1 3.75Å; L277-L279 HydrophobicContact CG-CD1 4.38Å; L277-L279 PolarHBondContact O-N 2.85Å; L277-F326 HydrophobicContact CD1-CB 4.16Å; L277-K327 HydrophobicContact CD2-CB 4.26Å; L277-K327 HydrophobicContact CD2-CG 3.49Å; L277-K327 VanDerWaalsContact CD2-CG 3.49Å; L277-A330 HydrophobicContact CB-CB 4.04Å; L277-A330 HydrophobicContact CD1-CB 4.34Å; L277-A330 HydrophobicContact CD2-CB 4.33Å; L277-A330 HydrophobicContact CG-CB 4.48Å; L277-H334 PolarHBondContact O-NE2 3.2Å; L277-L364 HydrophobicContact CD2-CD2 4Å |
| 278 | S | 90.3 | Very high | 89.1 | Confident | 37 Ų | 37 | 53 Ų | 53 | 26% | 0.259 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 29.3 | -179.9 | -57 | 0 | 0 | 0 | 0 | 115 | K275 D276 H334 H360 R363 | K275-S278 PolarHBondContact O-N 3.23Å; K275-S278 VanDerWaalsContact O-N 3.16Å; D276-S278 VanDerWaalsContact C-N 3.33Å; S278-H334 PolarHBondContact O-CE1 3.34Å; S278-H334 VanDerWaalsContact O-CE1 3.27Å; S278-H334 PolarHBondContact O-NE2 3.08Å; S278-H360 VanDerWaalsContact CB-CD2 3.43Å; S278-H360 WeakPolarHBondContact CB-CD2 3.33Å; S278-H360 WeakPolarHBondContact CB-NE2 3.4Å; S278-R363 PolarHBondContact OG-NH2 2.73Å |
| 279 | L | 89.8 | Confident | 89.1 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | trans | -70.5 | 147.8 | -178.7 | -68.5 | 161.8 | 0 | 0 | 0 | 113 | L265 A269 L277 F285 A330 L333 | L265-L279 HydrophobicContact CD1-CD1 4.13Å; L265-L279 HydrophobicContact CD2-CD1 4.16Å; L265-L279 HydrophobicContact CD2-CD2 4.47Å; L265-L279 HydrophobicContact CG-CD1 3.68Å; A269-L279 HydrophobicContact CB-CB 3.6Å; A269-L279 HydrophobicContact CB-CD1 4.41Å; L277-L279 HydrophobicContact CB-CD1 3.74Å; L277-L279 HydrophobicContact CB-CG 3.8Å; L277-L279 HydrophobicContact CD1-CD1 3.75Å; L277-L279 HydrophobicContact CG-CD1 4.38Å; L277-L279 PolarHBondContact O-N 2.85Å; L279-F285 HydrophobicContact CD2-CE2 4Å; L279-F285 HydrophobicContact CD2-CZ 4.11Å; L279-A330 HydrophobicContact CD2-CB 3.86Å; L279-A330 HydrophobicContact CG-CB 4.3Å; L279-L333 HydrophobicContact CD2-CD1 3.93Å | ||
| 280 | M | 89.4 | Confident | 89.1 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | trans | -119.2 | -164.8 | 178.2 | -59.9 | 179.5 | 65.5 | 0 | 0 | 110.4 | D284 F285 | M280-D284 HydrophobicContact CB-CB 3.72Å; M280-D284 WeakPolarHBondContact CB-OD2 3.44Å; M280-D284 HydrophobicContact CE-CB 3.91Å; M280-D284 HydrophobicContact SD-CB 4.36Å; M280-F285 HydrophobicContact CB-CE2 4.12Å; M280-F285 HydrophobicContact CB-CZ 4.35Å | ||
| 281 | S | 90.4 | Very high | 89 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | trans | -65.1 | 161.1 | 172.3 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | E283 D284 F285 | S281-E283 PolarHBondContact O-N 3.41Å; S281-E283 PolarHBondContact OG-N 3.36Å; S281-D284 WeakPolarHBondContact CA-OD2 3.35Å; S281-D284 WeakPolarHBondContact CB-OD2 3.22Å; S281-D284 PolarHBondContact N-OD2 2.98Å; S281-D284 PolarHBondContact O-N 3.35Å; S281-F285 WeakPolarHBondContact O-CD2 3.32Å | ||
| 282 | A | 90.2 | Very high | 88.8 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y263 C266 T288 I294 | Y263-A282 HydrophobicContact CD1-CB 3.75Å; Y263-A282 HydrophobicContact CE1-CB 4.03Å; C266-A282 HydrophobicContact CB-CB 4.31Å; A282-T288 WeakPolarHBondContact O-CB 3.33Å; A282-T288 PolarHBondContact O-OG1 3.04Å; A282-I294 HydrophobicContact CB-CB 4.25Å; A282-I294 HydrophobicContact CB-CD1 4.17Å; A282-I294 HydrophobicContact CB-CG2 4.17Å |
| 283 | E | 90.6 | Very high | 88.6 | Confident | 116 Ų | 116 | 55.1 Ų | 55.1 | 54% | 0.542 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -38.5 | 173.4 | -56.8 | 176.1 | 167.6 | 0 | 0 | 111.5 | S281 F285 S289 I294 | S281-E283 PolarHBondContact O-N 3.41Å; S281-E283 PolarHBondContact OG-N 3.36Å; E283-F285 VanDerWaalsContact C-N 3.28Å; E283-F285 PolarHBondContact O-N 3.31Å; E283-S289 VanDerWaalsContact O-CB 3.3Å; E283-S289 WeakPolarHBondContact O-CB 3.45Å; E283-S289 PolarHBondContact O-OG 2.99Å; E283-S289 VanDerWaalsContact O-OG 3.13Å; E283-I294 HydrophobicContact CG-CD1 3.61Å; E283-I294 HydrophobicContact CG-CG1 4.3Å; E283-I294 HydrophobicContact CG-CG2 4.44Å |
| 284 | D | 90.8 | Very high | 88.7 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -17.2 | -174.5 | -61.3 | -56.9 | 0 | 0 | 0 | 113.6 | M280 S281 N337 | M280-D284 HydrophobicContact CB-CB 3.72Å; M280-D284 WeakPolarHBondContact CB-OD2 3.44Å; M280-D284 HydrophobicContact CE-CB 3.91Å; M280-D284 HydrophobicContact SD-CB 4.36Å; S281-D284 WeakPolarHBondContact CA-OD2 3.35Å; S281-D284 WeakPolarHBondContact CB-OD2 3.22Å; S281-D284 PolarHBondContact N-OD2 2.98Å; S281-D284 PolarHBondContact O-N 3.35Å; D284-N337 PolarHBondContact O-ND2 3.49Å |
| 285 | F | 94.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -104 | 121.1 | -179.2 | -69.9 | -66.9 | 0 | 0 | 0 | 112 | L279 M280 S281 E283 Y287 T288 S289 L333 H334 N337 | L279-F285 HydrophobicContact CD2-CE2 4Å; L279-F285 HydrophobicContact CD2-CZ 4.11Å; M280-F285 HydrophobicContact CB-CE2 4.12Å; M280-F285 HydrophobicContact CB-CZ 4.35Å; S281-F285 WeakPolarHBondContact O-CD2 3.32Å; E283-F285 VanDerWaalsContact C-N 3.28Å; E283-F285 PolarHBondContact O-N 3.31Å; F285-Y287 VanDerWaalsContact C-N 3.27Å; F285-Y287 PolarHBondContact O-N 3.09Å; F285-T288 WeakPolarHBondContact CB-OG1 3.48Å; F285-T288 PolarHBondContact O-N 2.98Å; F285-T288 PolarHBondContact O-OG1 2.91Å; F285-S289 PolarHBondContact O-N 2.99Å; F285-S289 VanDerWaalsContact O-N 3.13Å; F285-S289 PolarHBondContact O-OG 2.9Å; F285-S289 VanDerWaalsContact O-OG 3.06Å; F285-L333 HydrophobicContact CB-CB 4.47Å; F285-L333 HydrophobicContact CB-CD2 4.29Å; F285-L333 HydrophobicContact CD1-CB 3.72Å; F285-L333 WeakPolarHBondContact CD1-O 3.34Å; F285-L333 HydrophobicContact CD2-CB 4.19Å; F285-L333 HydrophobicContact CD2-CD1 4.09Å; F285-L333 HydrophobicContact CE1-CB 3.83Å; F285-L333 HydrophobicContact CE2-CB 4.28Å; F285-L333 HydrophobicContact CE2-CD1 4.13Å; F285-L333 HydrophobicContact CG-CB 3.91Å; F285-L333 HydrophobicContact CG-CD2 4.47Å; F285-L333 HydrophobicContact CZ-CB 4.11Å; F285-H334 AromaticContact CE1-CE1 3.93Å; F285-H334 AromaticContact CE1-ND1 3.88Å; F285-N337 VanDerWaalsContact CA-OD1 3.3Å; F285-N337 WeakPolarHBondContact CA-OD1 3.17Å |
| 286 | T | 92.9 | Very high | 88.8 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.1 | -42.1 | -177.2 | -51.9 | 0 | 0 | 0 | 0 | 112.5 | T288 S289 L290 N337 | T286-T288 PolarHBondContact O-N 2.91Å; T286-T288 VanDerWaalsContact O-N 3.14Å; T286-S289 PolarHBondContact O-N 3.03Å; T286-L290 HydrophobicContact CG2-CD1 4.15Å; T286-L290 HydrophobicContact CG2-CG 4.15Å; T286-L290 VanDerWaalsContact O-CG 3.3Å; T286-L290 WeakPolarHBondContact O-CG 3.43Å; T286-L290 PolarHBondContact O-N 3.25Å; T286-N337 PolarHBondContact N-OD1 3.11Å; T286-N337 PolarHBondContact OG1-OD1 3.19Å |
| 287 | Y | 94.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.9 | -4.1 | 179.6 | -68.9 | -18.2 | 0 | 0 | 0 | 114.7 | V250 Q252 N258 F285 I332 D402 A405 | V250-Y287 HydrophobicContact CB-CD1 4.12Å; V250-Y287 HydrophobicContact CB-CE1 3.69Å; V250-Y287 HydrophobicContact CG1-CD1 4.37Å; V250-Y287 HydrophobicContact CG1-CE1 3.78Å; V250-Y287 HydrophobicContact CG1-CE2 4.05Å; Q252-Y287 PolarHBondContact NE2-O 2.96Å; Q252-Y287 PolarHBondContact OE1-O 3.23Å; N258-Y287 PolarHBondContact ND2-O 3.48Å; F285-Y287 VanDerWaalsContact C-N 3.27Å; F285-Y287 PolarHBondContact O-N 3.09Å; Y287-I332 HydrophobicContact CD2-CG2 4.1Å; Y287-I332 VanDerWaalsContact CD2-O 3.27Å; Y287-I332 WeakPolarHBondContact CD2-O 3.3Å; Y287-I332 HydrophobicContact CE2-CG2 4.25Å; Y287-I332 WeakPolarHBondContact CE2-O 3.38Å; Y287-D402 PolarHBondContact OH-OD1 3.25Å; Y287-A405 HydrophobicContact CE2-CB 3.7Å |
| 288 | T | 92.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -120.4 | -12.9 | 173.3 | 44.8 | 0 | 0 | 0 | 0 | 114.8 | N258 F262 Y263 A282 F285 T286 L333 | N258-T288 HydrophobicContact CB-CG2 4.33Å; F262-T288 HydrophobicContact CB-CG2 3.71Å; F262-T288 HydrophobicContact CG-CG2 4.43Å; Y263-T288 HydrophobicContact CE1-CG2 4.09Å; Y263-T288 HydrophobicContact CE2-CG2 4.07Å; Y263-T288 WeakPolarHBondContact OH-CA 3.37Å; Y263-T288 PolarHBondContact OH-O 3.28Å; A282-T288 WeakPolarHBondContact O-CB 3.33Å; A282-T288 PolarHBondContact O-OG1 3.04Å; F285-T288 WeakPolarHBondContact CB-OG1 3.48Å; F285-T288 PolarHBondContact O-N 2.98Å; F285-T288 PolarHBondContact O-OG1 2.91Å; T286-T288 PolarHBondContact O-N 2.91Å; T286-T288 VanDerWaalsContact O-N 3.14Å; T288-L333 HydrophobicContact CG2-CD2 3.86Å |
| 289 | S | 91.6 | Very high | 88.1 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -103.7 | -11.2 | -178.2 | 56.1 | 0 | 0 | 0 | 0 | 115.7 | E283 F285 T286 G291 E292 | E283-S289 VanDerWaalsContact O-CB 3.3Å; E283-S289 WeakPolarHBondContact O-CB 3.45Å; E283-S289 PolarHBondContact O-OG 2.99Å; E283-S289 VanDerWaalsContact O-OG 3.13Å; F285-S289 PolarHBondContact O-N 2.99Å; F285-S289 VanDerWaalsContact O-N 3.13Å; F285-S289 PolarHBondContact O-OG 2.9Å; F285-S289 VanDerWaalsContact O-OG 3.06Å; T286-S289 PolarHBondContact O-N 3.03Å; S289-G291 PolarHBondContact O-N 3.29Å; S289-G291 VanDerWaalsContact O-N 3.14Å; S289-E292 PolarHBondContact O-N 3Å |
| 290 | L | 86.6 | Confident | 88.1 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.8 | -179.7 | -82 | 167 | 0 | 0 | 0 | 115.1 | V250 T286 E292 | V250-L290 WeakPolarHBondContact O-CD1 3.31Å; T286-L290 HydrophobicContact CG2-CD1 4.15Å; T286-L290 HydrophobicContact CG2-CG 4.15Å; T286-L290 VanDerWaalsContact O-CG 3.3Å; T286-L290 WeakPolarHBondContact O-CG 3.43Å; T286-L290 PolarHBondContact O-N 3.25Å; L290-E292 VanDerWaalsContact C-N 3.31Å |
| 291 | G | 82.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 5.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | A253 D255 S289 N293 | A253-G291 VanDerWaalsContact O-CA 3.23Å; A253-G291 WeakPolarHBondContact O-CA 3.31Å; D255-G291 WeakPolarHBondContact CA-O 3.16Å; D255-G291 PolarHBondContact N-O 3.32Å; S289-G291 PolarHBondContact O-N 3.29Å; S289-G291 VanDerWaalsContact O-N 3.14Å; G291-N293 PolarHBondContact O-N 3.33Å |
| 292 | E | 83.8 | Confident | 88.3 | Confident | 165 Ų | 165 | 59.2 Ų | 59.2 | 77% | 0.771 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 61.4 | -25.2 | 179.8 | -54.1 | -165.3 | 173.4 | 0 | 0 | 116.9 | S289 L290 | S289-E292 PolarHBondContact O-N 3Å; L290-E292 VanDerWaalsContact C-N 3.31Å |
| 293 | N | 80.4 | Confident | 88.4 | Confident | 52 Ų | 52 | 62.2 Ų | 62.2 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | trans | -110.7 | 98.3 | 179.5 | -170.6 | -2 | 0 | 0 | 0 | 112.9 | K210 D255 R257 G291 F295 | K210-N293 PolarHBondContact NZ-ND2 2.9Å; D255-N293 WeakPolarHBondContact OD1-CB 3.42Å; D255-N293 PolarHBondContact OD1-ND2 3.41Å; R257-N293 WeakPolarHBondContact CG-O 3.48Å; G291-N293 PolarHBondContact O-N 3.33Å; N293-F295 PolarHBondContact OD1-N 3.14Å; N293-F295 VanDerWaalsContact OD1-N 3.15Å; N293-F295 PolarHBondContact OD1-O 3.45Å | ||
| 294 | I | 85.4 | Confident | 88.5 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 9% | 0.087 | 33% | 0.326 | C | S | . | . | trans | -80 | -12.5 | 179.1 | 64.1 | 151.8 | 0 | 0 | 0 | 114.6 | R257 Y263 A282 E283 | R257-I294 WeakPolarHBondContact CD-O 3.37Å; R257-I294 PolarHBondContact NH1-O 3.33Å; Y263-I294 HydrophobicContact CD1-CB 4.31Å; Y263-I294 HydrophobicContact CE1-CB 4.02Å; Y263-I294 HydrophobicContact CE1-CG2 4.14Å; A282-I294 HydrophobicContact CB-CB 4.25Å; A282-I294 HydrophobicContact CB-CD1 4.17Å; A282-I294 HydrophobicContact CB-CG2 4.17Å; E283-I294 HydrophobicContact CG-CD1 3.61Å; E283-I294 HydrophobicContact CG-CG1 4.3Å; E283-I294 HydrophobicContact CG-CG2 4.44Å | ||
| 295 | F | 84.9 | Confident | 88.6 | Confident | 134 Ų | 134 | 54.9 Ų | 54.9 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | trans | -105.7 | 160.2 | -173.1 | -65.4 | -69.3 | 0 | 0 | 0 | 112.6 | N293 | N293-F295 PolarHBondContact OD1-N 3.14Å; N293-F295 VanDerWaalsContact OD1-N 3.15Å; N293-F295 PolarHBondContact OD1-O 3.45Å | ||
| 296 | I | 87.9 | Confident | 88.5 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.092 | 33% | 0.331 | C | S | . | . | trans | -130.2 | 130.7 | 166.4 | -57.3 | 175.3 | 0 | 0 | 0 | 107.5 | K210 D215 R257 G298 V299 | K210-I296 HydrophobicContact CB-CD1 3.97Å; K210-I296 HydrophobicContact CB-CG1 4.36Å; K210-I296 HydrophobicContact CD-CG1 4.08Å; K210-I296 HydrophobicContact CG-CD1 4.1Å; K210-I296 HydrophobicContact CG-CG1 4.13Å; D215-I296 HydrophobicContact CB-CD1 4.3Å; D215-I296 HydrophobicContact CB-CG2 3.81Å; R257-I296 VanDerWaalsContact NH2-CD1 3.29Å; I296-G298 PolarHBondContact O-N 2.96Å; I296-V299 HydrophobicContact CB-CB 3.96Å; I296-V299 HydrophobicContact CB-CG2 3.91Å; I296-V299 HydrophobicContact CG2-CB 4.15Å; I296-V299 HydrophobicContact CG2-CG2 3.54Å; I296-V299 PolarHBondContact O-N 2.96Å | ||
| 297 | E | 82.1 | Confident | 88.5 | Confident | 194 Ų | 194 | 62.8 Ų | 62.8 | 91% | 0.907 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 133.1 | 178.3 | -170.6 | 172.1 | -167 | 0 | 0 | 111.4 | V299 | E297-V299 PolarHBondContact O-N 3.08Š|
| 298 | G | 80.8 | Confident | 88.4 | Confident | 87 Ų | 87 | 62.9 Ų | 62.9 | 90% | 0.897 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -8.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | I296 | I296-G298 PolarHBondContact O-N 2.96Š|
| 299 | V | 87.8 | Confident | 88.3 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 38% | 0.376 | 35% | 0.347 | S | S | . | . | trans | -92.8 | 149.1 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 111 | I296 E297 | I296-V299 HydrophobicContact CB-CB 3.96Å; I296-V299 HydrophobicContact CB-CG2 3.91Å; I296-V299 HydrophobicContact CG2-CB 4.15Å; I296-V299 HydrophobicContact CG2-CG2 3.54Å; I296-V299 PolarHBondContact O-N 2.96Å; E297-V299 PolarHBondContact O-N 3.08Å | ||
| 300 | N | 90.9 | Very high | 88.3 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | trans | -131.4 | 90 | 175.2 | -172.7 | -61 | 0 | 0 | 0 | 109.4 | A302 N303 D304 | N300-A302 PolarHBondContact O-N 3.01Å; N300-A302 VanDerWaalsContact O-N 3.09Å; N300-A302 PolarHBondContact OD1-N 3.19Å; N300-N303 HydrophobicContact CB-CB 4.21Å; N300-N303 PolarHBondContact O-N 3.48Å; N300-N303 PolarHBondContact OD1-N 2.91Å; N300-D304 PolarHBondContact O-N 3.4Å | ||
| 301 | D | 92.5 | Very high | 88.6 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.6 | -32 | -175 | -69.2 | -65.7 | 0 | 0 | 0 | 112.5 | R257 Q264 A267 D304 F305 | R257-D301 IonicContact CZ-OD1 3.3Å; R257-D301 IonicContact CZ-OD2 3.47Å; R257-D301 IonicContact NH1-OD1 2.8Å; R257-D301 IonicContact NH1-OD2 3.7Å; R257-D301 PolarHBondContact NH1-OD2 3.15Å; R257-D301 IonicContact NH2-OD1 3.76Å; R257-D301 PolarHBondContact NH2-OD1 2.99Å; R257-D301 IonicContact NH2-OD2 2.72Å; R257-D301 PolarHBondContact NH2-OD2 3.32Å; Q264-D301 HydrophobicContact CG-CB 4.1Å; Q264-D301 WeakPolarHBondContact CG-O 3.45Å; A267-D301 HydrophobicContact CB-CB 4.23Å; D301-D304 PolarHBondContact O-N 3.2Å; D301-F305 WeakPolarHBondContact O-CB 3.42Å; D301-F305 PolarHBondContact O-N 3.39Å |
| 302 | A | 91.3 | Very high | 89 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.3 | -26.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A267 N300 | A267-A302 HydrophobicContact CB-CB 4.05Å; N300-A302 PolarHBondContact O-N 3.01Å; N300-A302 VanDerWaalsContact O-N 3.09Å; N300-A302 PolarHBondContact OD1-N 3.19Å |
| 303 | N | 91.9 | Very high | 89.4 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -82 | -34.6 | 170.5 | -79.2 | -27.3 | 0 | 0 | 0 | 111.6 | N300 F305 K306 K307 | N300-N303 HydrophobicContact CB-CB 4.21Å; N300-N303 PolarHBondContact O-N 3.48Å; N300-N303 PolarHBondContact OD1-N 2.91Å; N303-F305 VanDerWaalsContact C-N 3.32Å; N303-K306 WeakPolarHBondContact O-CB 3.49Å; N303-K306 PolarHBondContact O-N 3.32Å; N303-K306 PolarHBondContact OD1-NZ 3.27Å; N303-K307 PolarHBondContact O-N 3.12Å |
| 304 | D | 91.9 | Very high | 89.8 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 20% | 0.198 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.7 | -30.8 | 175 | -66.6 | -44.9 | 0 | 0 | 0 | 112.1 | N300 D301 K306 K307 T308 | N300-D304 PolarHBondContact O-N 3.4Å; D301-D304 PolarHBondContact O-N 3.2Å; D304-K306 VanDerWaalsContact C-N 3.29Å; D304-K306 PolarHBondContact O-N 3.23Å; D304-K307 WeakPolarHBondContact O-CB 3.34Å; D304-K307 PolarHBondContact O-N 3.05Å; D304-K307 WeakPolarHBondContact OD1-CD 3.45Å; D304-K307 WeakPolarHBondContact OD1-CE 3.21Å; D304-K307 IonicContact OD1-NZ 3.8Å; D304-K307 PolarHBondContact OD1-NZ 3Å; D304-T308 PolarHBondContact O-N 2.98Å; D304-T308 PolarHBondContact O-OG1 3.22Å; D304-T308 VanDerWaalsContact O-OG1 3.12Å |
| 305 | F | 93.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 1% | 0.013 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.9 | -36.7 | 169.5 | -168.8 | -109.8 | 0 | 0 | 0 | 113.4 | I261 Q264 L265 S268 F274 D301 N303 T308 R309 F326 | I261-F305 HydrophobicContact CD1-CD2 4.3Å; I261-F305 HydrophobicContact CD1-CE2 4.14Å; Q264-F305 HydrophobicContact CB-CB 3.92Å; Q264-F305 HydrophobicContact CB-CD2 3.81Å; Q264-F305 HydrophobicContact CB-CG 4.28Å; Q264-F305 HydrophobicContact CG-CB 4.49Å; L265-F305 HydrophobicContact CD1-CE2 4.18Å; L265-F305 HydrophobicContact CD1-CZ 4.1Å; S268-F305 VanDerWaalsContact OG-CD1 3.25Å; S268-F305 WeakPolarHBondContact OG-CD1 3.45Å; F274-F305 HydrophobicContact CE2-CD1 4.43Å; F274-F305 AromaticContact CE2-CE1 3.43Å; F274-F305 HydrophobicContact CE2-CE1 3.43Å; F274-F305 VanDerWaalsContact CE2-CE1 3.43Å; F274-F305 AromaticContact CE2-CZ 3.84Å; F274-F305 HydrophobicContact CE2-CZ 3.84Å; F274-F305 AromaticContact CZ-CE1 3.56Å; F274-F305 HydrophobicContact CZ-CE1 3.56Å; F274-F305 AromaticContact CZ-CZ 3.67Å; F274-F305 HydrophobicContact CZ-CZ 3.67Å; D301-F305 WeakPolarHBondContact O-CB 3.42Å; D301-F305 PolarHBondContact O-N 3.39Å; N303-F305 VanDerWaalsContact C-N 3.32Å; F305-T308 PolarHBondContact O-N 2.85Å; F305-R309 VanDerWaalsContact CE1-CD 3.49Å; F305-R309 HydrophobicContact CE1-CG 4.06Å; F305-R309 HydrophobicContact CZ-CG 4.26Å; F305-R309 PolarHBondContact O-N 3.05Å; F305-F326 HydrophobicContact CE2-CD1 4.15Å; F305-F326 AromaticContact CE2-CE1 3.64Å; F305-F326 HydrophobicContact CE2-CE1 3.64Å; F305-F326 HydrophobicContact CE2-CE2 4.34Å; F305-F326 AromaticContact CE2-CZ 3.75Å; F305-F326 HydrophobicContact CE2-CZ 3.75Å; F305-F326 HydrophobicContact CZ-CD1 4.22Å; F305-F326 HydrophobicContact CZ-CD2 4.1Å; F305-F326 AromaticContact CZ-CE1 3.81Å; F305-F326 HydrophobicContact CZ-CE1 3.81Å; F305-F326 AromaticContact CZ-CE2 3.67Å; F305-F326 HydrophobicContact CZ-CE2 3.67Å; F305-F326 HydrophobicContact CZ-CG 4.38Å; F305-F326 AromaticContact CZ-CZ 3.52Å; F305-F326 HydrophobicContact CZ-CZ 3.52Å |
| 306 | K | 92.2 | Very high | 89.9 | Confident | 113 Ų | 113 | 58.2 Ų | 58.2 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 175.9 | -62.3 | 168.6 | -169.6 | 163.9 | 0 | 110.5 | N303 D304 T308 R309 E310 | N303-K306 WeakPolarHBondContact O-CB 3.49Å; N303-K306 PolarHBondContact O-N 3.32Å; N303-K306 PolarHBondContact OD1-NZ 3.27Å; D304-K306 VanDerWaalsContact C-N 3.29Å; D304-K306 PolarHBondContact O-N 3.23Å; K306-T308 PolarHBondContact O-N 3.07Å; K306-R309 PolarHBondContact O-N 2.84Å; K306-E310 WeakPolarHBondContact O-CG 3.34Å; K306-E310 PolarHBondContact O-N 3.42Å |
| 307 | K | 92 | Very high | 90 | Very high | 108 Ų | 108 | 57.9 Ų | 57.9 | 47% | 0.47 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56 | -40.4 | 174.8 | -56.9 | 172.7 | -168.4 | 165.5 | 0 | 111.5 | N303 D304 E310 A311 | N303-K307 PolarHBondContact O-N 3.12Å; D304-K307 WeakPolarHBondContact O-CB 3.34Å; D304-K307 PolarHBondContact O-N 3.05Å; D304-K307 WeakPolarHBondContact OD1-CD 3.45Å; D304-K307 WeakPolarHBondContact OD1-CE 3.21Å; D304-K307 IonicContact OD1-NZ 3.8Å; D304-K307 PolarHBondContact OD1-NZ 3Å; K307-E310 PolarHBondContact O-N 2.92Å; K307-A311 VanDerWaalsContact O-CB 3.23Å; K307-A311 WeakPolarHBondContact O-CB 3.37Å; K307-A311 PolarHBondContact O-N 2.7Å |
| 308 | T | 93.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 176.5 | -61.2 | 0 | 0 | 0 | 0 | 112 | A205 I261 Q264 D304 F305 K306 F312 | A205-T308 HydrophobicContact CB-CG2 4.02Å; I261-T308 HydrophobicContact CD1-CG2 4.41Å; Q264-T308 PolarHBondContact OE1-OG1 3.11Å; D304-T308 PolarHBondContact O-N 2.98Å; D304-T308 PolarHBondContact O-OG1 3.22Å; D304-T308 VanDerWaalsContact O-OG1 3.12Å; F305-T308 PolarHBondContact O-N 2.85Å; K306-T308 PolarHBondContact O-N 3.07Å; T308-F312 HydrophobicContact CG2-CD2 3.94Å; T308-F312 HydrophobicContact CG2-CE2 3.66Å; T308-F312 WeakPolarHBondContact O-CD2 3.29Å; T308-F312 PolarHBondContact O-N 3.48Å |
| 309 | R | 91.8 | Very high | 90.6 | Very high | 55 Ų | 55 | 57.7 Ų | 57.7 | 21% | 0.208 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.2 | -40.9 | 173.4 | -76.3 | -178.8 | 63.9 | 179.6 | 4.6 | 113.4 | E273 F305 K306 A311 F312 T313 E319 F326 | E273-R309 IonicContact OE1-CZ 3.83Å; E273-R309 IonicContact OE1-NH1 2.73Å; E273-R309 PolarHBondContact OE1-NH1 3.43Å; E273-R309 IonicContact OE1-NH2 3.86Å; E273-R309 PolarHBondContact OE1-NH2 3.42Å; F305-R309 VanDerWaalsContact CE1-CD 3.49Å; F305-R309 HydrophobicContact CE1-CG 4.06Å; F305-R309 HydrophobicContact CZ-CG 4.26Å; F305-R309 PolarHBondContact O-N 3.05Å; K306-R309 PolarHBondContact O-N 2.84Å; R309-A311 VanDerWaalsContact C-N 3.34Å; R309-F312 PolarHBondContact O-N 3.4Å; R309-T313 WeakPolarHBondContact O-CB 3.39Å; R309-T313 PolarHBondContact O-N 3.23Å; R309-T313 PolarHBondContact O-OG1 3.15Å; R309-E319 IonicContact NH2-OE1 2.74Å; R309-E319 PolarHBondContact NH2-OE1 3.44Å; R309-F326 HydrophobicContact CG-CE2 4.2Å; R309-F326 HydrophobicContact CG-CZ 4.01Å |
| 310 | E | 91.6 | Very high | 90.6 | Very high | 125 Ų | 125 | 58.5 Ų | 58.5 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.2 | -47.1 | 174.4 | -71.9 | 158.9 | -165.9 | 0 | 0 | 110.2 | K306 K307 T313 L314 | K306-E310 WeakPolarHBondContact O-CG 3.34Å; K306-E310 PolarHBondContact O-N 3.42Å; K307-E310 PolarHBondContact O-N 2.92Å; E310-T313 WeakPolarHBondContact O-CB 3.33Å; E310-T313 PolarHBondContact O-N 3.17Å; E310-L314 PolarHBondContact O-N 3.44Å |
| 311 | A | 91.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 5% | 0.05 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A198 P201 I202 K307 R309 T313 L314 L315 | A198-A311 HydrophobicContact CB-CB 4.48Å; A198-A311 WeakPolarHBondContact O-CB 3.36Å; P201-A311 HydrophobicContact CB-CB 4.17Å; I202-A311 HydrophobicContact CD1-CB 3.97Å; I202-A311 HydrophobicContact CG1-CB 3.81Å; K307-A311 VanDerWaalsContact O-CB 3.23Å; K307-A311 WeakPolarHBondContact O-CB 3.37Å; K307-A311 PolarHBondContact O-N 2.7Å; R309-A311 VanDerWaalsContact C-N 3.34Å; A311-T313 PolarHBondContact O-N 2.96Å; A311-L314 PolarHBondContact O-N 3.42Å; A311-L315 PolarHBondContact O-N 3.01Å |
| 312 | F | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 174.3 | -84.9 | -54.8 | 0 | 0 | 0 | 111.5 | I202 T308 R309 L315 G316 I317 Q322 I325 F326 I416 | I202-F312 HydrophobicContact CB-CE1 4.48Å; I202-F312 HydrophobicContact CD1-CD1 3.77Å; I202-F312 HydrophobicContact CD1-CE1 4.18Å; I202-F312 HydrophobicContact CD1-CG 4.2Å; I202-F312 HydrophobicContact CG1-CD1 3.98Å; I202-F312 HydrophobicContact CG1-CD2 4.46Å; I202-F312 HydrophobicContact CG1-CE1 4.1Å; I202-F312 HydrophobicContact CG1-CG 4.17Å; I202-F312 HydrophobicContact CG1-CZ 4.4Å; I202-F312 HydrophobicContact CG2-CD1 4.25Å; I202-F312 HydrophobicContact CG2-CE1 3.53Å; I202-F312 HydrophobicContact CG2-CE2 4.48Å; I202-F312 HydrophobicContact CG2-CZ 3.68Å; T308-F312 HydrophobicContact CG2-CD2 3.94Å; T308-F312 HydrophobicContact CG2-CE2 3.66Å; T308-F312 WeakPolarHBondContact O-CD2 3.29Å; T308-F312 PolarHBondContact O-N 3.48Å; R309-F312 PolarHBondContact O-N 3.4Å; F312-L315 CarbonylContact O-C 3.51Å; F312-L315 PolarHBondContact O-N 3.22Å; F312-G316 PolarHBondContact O-N 3.06Å; F312-I317 HydrophobicContact CB-CB 4.38Å; F312-I317 HydrophobicContact CD1-CB 4.22Å; F312-I317 HydrophobicContact CD1-CD1 3.74Å; F312-I317 HydrophobicContact CD1-CG2 4.19Å; F312-I317 HydrophobicContact CE1-CD1 4.16Å; F312-I317 WeakPolarHBondContact O-CB 3.42Å; F312-I317 PolarHBondContact O-N 3.03Å; F312-Q322 HydrophobicContact CB-CG 3.9Å; F312-Q322 HydrophobicContact CD2-CG 4.42Å; F312-Q322 HydrophobicContact CG-CG 4.25Å; F312-I325 HydrophobicContact CE1-CD1 3.89Å; F312-I325 HydrophobicContact CZ-CD1 3.95Å; F312-F326 HydrophobicContact CD2-CZ 4.43Å; F312-F326 HydrophobicContact CE2-CE1 4.23Å; F312-F326 HydrophobicContact CE2-CZ 4.31Å; F312-I416 HydrophobicContact CE1-CG2 4.08Å |
| 313 | T | 91.3 | Very high | 90.3 | Very high | 80 Ų | 80 | 56.2 Ų | 56.2 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | -179.9 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | R309 E310 A311 L315 G316 Q322 | R309-T313 WeakPolarHBondContact O-CB 3.39Å; R309-T313 PolarHBondContact O-N 3.23Å; R309-T313 PolarHBondContact O-OG1 3.15Å; E310-T313 WeakPolarHBondContact O-CB 3.33Å; E310-T313 PolarHBondContact O-N 3.17Å; A311-T313 PolarHBondContact O-N 2.96Å; T313-L315 VanDerWaalsContact C-N 3.3Å; T313-L315 PolarHBondContact O-N 3.45Å; T313-G316 WeakPolarHBondContact O-CA 3.46Å; T313-G316 PolarHBondContact O-N 3.49Å; T313-Q322 PolarHBondContact OG1-NE2 2.91Å |
| 314 | L | 88.1 | Confident | 90.2 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.3 | -32.5 | 176.8 | -163.1 | 149.5 | 0 | 0 | 0 | 112.4 | E194 K195 A198 E310 A311 G316 | E194-L314 HydrophobicContact CG-CD1 3.95Å; E194-L314 HydrophobicContact CG-CD2 4.22Å; K195-L314 HydrophobicContact CB-CD2 4.45Å; K195-L314 HydrophobicContact CG-CD2 3.83Å; A198-L314 HydrophobicContact CB-CD2 3.89Å; E310-L314 PolarHBondContact O-N 3.44Å; A311-L314 PolarHBondContact O-N 3.42Å; L314-G316 PolarHBondContact O-N 3.3Å |
| 315 | L | 88.1 | Confident | 90.3 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 11.7 | 169.7 | -65.3 | -173.8 | 0 | 0 | 0 | 114.2 | K195 I202 A311 F312 T313 I317 I420 A423 L424 | K195-L315 HydrophobicContact CB-CD2 3.66Å; K195-L315 HydrophobicContact CG-CD2 3.96Å; I202-L315 HydrophobicContact CD1-CD1 3.71Å; I202-L315 HydrophobicContact CD1-CG 4.49Å; A311-L315 PolarHBondContact O-N 3.01Å; F312-L315 CarbonylContact O-C 3.51Å; F312-L315 PolarHBondContact O-N 3.22Å; T313-L315 VanDerWaalsContact C-N 3.3Å; T313-L315 PolarHBondContact O-N 3.45Å; L315-I317 VanDerWaalsContact C-N 3.26Å; L315-I317 PolarHBondContact O-N 3.36Å; L315-I420 HydrophobicContact CD1-CB 4.37Å; L315-I420 HydrophobicContact CD1-CG1 3.84Å; L315-I420 HydrophobicContact CD1-CG2 4.12Å; L315-A423 HydrophobicContact CB-CB 4.13Å; L315-A423 HydrophobicContact CD2-CB 4.25Å; L315-A423 WeakPolarHBondContact O-CB 3.41Å; L315-L424 HydrophobicContact CD2-CD2 4.4Å |
| 316 | G | 85.7 | Confident | 90.3 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 11.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F312 T313 L314 K318 | F312-G316 PolarHBondContact O-N 3.06Å; T313-G316 WeakPolarHBondContact O-CA 3.46Å; T313-G316 PolarHBondContact O-N 3.49Å; L314-G316 PolarHBondContact O-N 3.3Å; G316-K318 PolarHBondContact O-N 2.81Å; G316-K318 VanDerWaalsContact O-N 3.15Å |
| 317 | I | 88.9 | Confident | 90.3 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | trans | -78.4 | 100.8 | 174.5 | -65.6 | 168.7 | 0 | 0 | 0 | 107.6 | F312 L315 Q322 I325 H419 | F312-I317 HydrophobicContact CB-CB 4.38Å; F312-I317 HydrophobicContact CD1-CB 4.22Å; F312-I317 HydrophobicContact CD1-CD1 3.74Å; F312-I317 HydrophobicContact CD1-CG2 4.19Å; F312-I317 HydrophobicContact CE1-CD1 4.16Å; F312-I317 WeakPolarHBondContact O-CB 3.42Å; F312-I317 PolarHBondContact O-N 3.03Å; L315-I317 VanDerWaalsContact C-N 3.26Å; L315-I317 PolarHBondContact O-N 3.36Å; I317-Q322 HydrophobicContact CG2-CG 4.09Å; I317-Q322 PolarHBondContact O-NE2 3.45Å; I317-I325 HydrophobicContact CG2-CD1 4.3Å; I317-H419 HydrophobicContact CD1-CB 3.94Å; I317-H419 HydrophobicContact CG1-CB 4.26Å | ||
| 318 | K | 89.2 | Confident | 90.4 | Very high | 153 Ų | 153 | 44.9 Ų | 44.9 | 67% | 0.665 | 25% | 0.248 | S | C | * | . | trans | -54.3 | 150.2 | -176.9 | -60.6 | 179 | -178.9 | 179.3 | 0 | 112.2 | G316 S320 S321 Q322 | G316-K318 PolarHBondContact O-N 2.81Å; G316-K318 VanDerWaalsContact O-N 3.15Å; K318-S320 PolarHBondContact O-N 3.46Å; K318-S320 VanDerWaalsContact O-N 3.14Å; K318-S321 CarbonylContact O-C 3.47Å; K318-S321 WeakPolarHBondContact O-CA 3.49Å; K318-S321 WeakPolarHBondContact O-CB 3.4Å; K318-S321 PolarHBondContact O-N 2.9Å; K318-Q322 PolarHBondContact O-N 3.17Å | ||
| 319 | E | 87.7 | Confident | 90.4 | Very high | 125 Ų | 125 | 44.9 Ų | 44.9 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -56.1 | -33.8 | 179.2 | -62.7 | -165.8 | 113.4 | 0 | 0 | 113.7 | R309 S321 Q322 S323 | R309-E319 IonicContact NH2-OE1 2.74Å; R309-E319 PolarHBondContact NH2-OE1 3.44Å; E319-S321 VanDerWaalsContact C-N 3.26Å; E319-S321 PolarHBondContact O-N 2.86Å; E319-Q322 PolarHBondContact O-N 2.94Å; E319-S323 WeakPolarHBondContact O-CB 3.49Å; E319-S323 PolarHBondContact O-N 3.02Å |
| 320 | S | 87 | Confident | 90.6 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 55% | 0.552 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -58.5 | -37.9 | 172 | 57 | 0 | 0 | 0 | 0 | 112.6 | K318 S324 | K318-S320 PolarHBondContact O-N 3.46Å; K318-S320 VanDerWaalsContact O-N 3.14Å; S320-S324 WeakPolarHBondContact O-CB 3.45Å; S320-S324 PolarHBondContact O-N 2.87Å; S320-S324 PolarHBondContact O-OG 3Å |
| 321 | S | 87.4 | Confident | 90.7 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 26% | 0.259 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -78.6 | -36.1 | 175.7 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | K318 E319 S324 I325 | K318-S321 CarbonylContact O-C 3.47Å; K318-S321 WeakPolarHBondContact O-CA 3.49Å; K318-S321 WeakPolarHBondContact O-CB 3.4Å; K318-S321 PolarHBondContact O-N 2.9Å; E319-S321 VanDerWaalsContact C-N 3.26Å; E319-S321 PolarHBondContact O-N 2.86Å; S321-S324 WeakPolarHBondContact O-CA 3.34Å; S321-S324 WeakPolarHBondContact O-CB 3.32Å; S321-S324 PolarHBondContact O-N 3.21Å; S321-S324 VanDerWaalsContact O-N 3.15Å; S321-I325 WeakPolarHBondContact O-CG1 3.3Å; S321-I325 PolarHBondContact O-N 2.93Å |
| 322 | Q | 90.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -51.1 | 172.6 | -61.8 | 179.4 | 29.5 | 0 | 0 | 111.2 | F312 T313 I317 K318 E319 S324 I325 F326 | F312-Q322 HydrophobicContact CB-CG 3.9Å; F312-Q322 HydrophobicContact CD2-CG 4.42Å; F312-Q322 HydrophobicContact CG-CG 4.25Å; T313-Q322 PolarHBondContact OG1-NE2 2.91Å; I317-Q322 HydrophobicContact CG2-CG 4.09Å; I317-Q322 PolarHBondContact O-NE2 3.45Å; K318-Q322 PolarHBondContact O-N 3.17Å; E319-Q322 PolarHBondContact O-N 2.94Å; Q322-S324 PolarHBondContact O-N 3.19Å; Q322-I325 WeakPolarHBondContact O-CB 3.41Å; Q322-I325 PolarHBondContact O-N 2.98Å; Q322-I325 VanDerWaalsContact O-N 3.09Å; Q322-F326 HydrophobicContact CB-CD2 4.47Å; Q322-F326 HydrophobicContact CB-CE2 3.81Å; Q322-F326 HydrophobicContact CB-CZ 4.22Å; Q322-F326 WeakPolarHBondContact O-CD2 3.45Å; Q322-F326 VanDerWaalsContact O-CG 3.23Å; Q322-F326 WeakPolarHBondContact O-CG 3.26Å; Q322-F326 PolarHBondContact O-N 2.97Å |
| 323 | S | 89.6 | Confident | 91.1 | Very high | 45 Ų | 45 | 36 Ų | 36 | 32% | 0.315 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -54.6 | -36.9 | 172.2 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | E319 F326 K327 | E319-S323 WeakPolarHBondContact O-CB 3.49Å; E319-S323 PolarHBondContact O-N 3.02Å; S323-F326 PolarHBondContact O-N 3.36Å; S323-K327 WeakPolarHBondContact O-CG 3.24Å; S323-K327 PolarHBondContact O-N 3.37Å |
| 324 | S | 91.1 | Very high | 91.2 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 16% | 0.161 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.6 | -40.6 | 177 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | S320 S321 Q322 I328 L587 | S320-S324 WeakPolarHBondContact O-CB 3.45Å; S320-S324 PolarHBondContact O-N 2.87Å; S320-S324 PolarHBondContact O-OG 3Å; S321-S324 WeakPolarHBondContact O-CA 3.34Å; S321-S324 WeakPolarHBondContact O-CB 3.32Å; S321-S324 PolarHBondContact O-N 3.21Å; S321-S324 VanDerWaalsContact O-N 3.15Å; Q322-S324 PolarHBondContact O-N 3.19Å; S324-I328 WeakPolarHBondContact O-CG1 3.33Å; S324-I328 PolarHBondContact O-N 3.08Å; S324-L587 VanDerWaalsContact CB-CD2 3.5Å |
| 325 | I | 92.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.9 | -49.1 | 171 | -65.3 | 162.3 | 0 | 0 | 0 | 109.7 | F312 I317 S321 Q322 K327 I328 M329 L412 W415 I416 | F312-I325 HydrophobicContact CE1-CD1 3.89Å; F312-I325 HydrophobicContact CZ-CD1 3.95Å; I317-I325 HydrophobicContact CG2-CD1 4.3Å; S321-I325 WeakPolarHBondContact O-CG1 3.3Å; S321-I325 PolarHBondContact O-N 2.93Å; Q322-I325 WeakPolarHBondContact O-CB 3.41Å; Q322-I325 PolarHBondContact O-N 2.98Å; Q322-I325 VanDerWaalsContact O-N 3.09Å; I325-K327 VanDerWaalsContact C-N 3.34Å; I325-K327 PolarHBondContact O-N 3.03Å; I325-I328 PolarHBondContact O-N 2.9Å; I325-I328 VanDerWaalsContact O-N 3.14Å; I325-M329 HydrophobicContact CG2-CG 4.35Å; I325-M329 WeakPolarHBondContact O-CG 3.38Å; I325-M329 PolarHBondContact O-N 3.29Å; I325-L412 HydrophobicContact CG1-CD1 4.23Å; I325-L412 HydrophobicContact CG2-CD1 4.35Å; I325-L412 HydrophobicContact CG2-CD2 4.28Å; I325-W415 HydrophobicContact CD1-CZ3 4.09Å; I325-W415 HydrophobicContact CG1-CZ3 4.2Å; I325-I416 HydrophobicContact CD1-CD1 4.32Å; I325-I416 HydrophobicContact CD1-CG1 4.12Å; I325-I416 HydrophobicContact CG1-CD1 4.49Å; I325-I416 HydrophobicContact CG1-CG1 4.46Å; I325-I416 HydrophobicContact CG2-CD1 4Å |
| 326 | F | 93.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66 | -32.9 | -176.8 | -54.6 | -37.4 | 0 | 0 | 0 | 113 | I261 L265 F274 L277 F305 R309 F312 Q322 S323 M329 A330 | I261-F326 HydrophobicContact CD1-CE1 4.29Å; L265-F326 HydrophobicContact CD1-CB 4.04Å; L265-F326 HydrophobicContact CD1-CD1 4.34Å; L265-F326 HydrophobicContact CD1-CG 4.2Å; F274-F326 AromaticContact CE1-CD2 3.8Å; F274-F326 HydrophobicContact CE1-CD2 3.8Å; F274-F326 HydrophobicContact CE1-CE2 4.47Å; F274-F326 HydrophobicContact CZ-CD2 4Å; F274-F326 HydrophobicContact CZ-CE2 4.27Å; L277-F326 HydrophobicContact CD1-CB 4.16Å; F305-F326 HydrophobicContact CE2-CD1 4.15Å; F305-F326 AromaticContact CE2-CE1 3.64Å; F305-F326 HydrophobicContact CE2-CE1 3.64Å; F305-F326 HydrophobicContact CE2-CE2 4.34Å; F305-F326 AromaticContact CE2-CZ 3.75Å; F305-F326 HydrophobicContact CE2-CZ 3.75Å; F305-F326 HydrophobicContact CZ-CD1 4.22Å; F305-F326 HydrophobicContact CZ-CD2 4.1Å; F305-F326 AromaticContact CZ-CE1 3.81Å; F305-F326 HydrophobicContact CZ-CE1 3.81Å; F305-F326 AromaticContact CZ-CE2 3.67Å; F305-F326 HydrophobicContact CZ-CE2 3.67Å; F305-F326 HydrophobicContact CZ-CG 4.38Å; F305-F326 AromaticContact CZ-CZ 3.52Å; F305-F326 HydrophobicContact CZ-CZ 3.52Å; R309-F326 HydrophobicContact CG-CE2 4.2Å; R309-F326 HydrophobicContact CG-CZ 4.01Å; F312-F326 HydrophobicContact CD2-CZ 4.43Å; F312-F326 HydrophobicContact CE2-CE1 4.23Å; F312-F326 HydrophobicContact CE2-CZ 4.31Å; Q322-F326 HydrophobicContact CB-CD2 4.47Å; Q322-F326 HydrophobicContact CB-CE2 3.81Å; Q322-F326 HydrophobicContact CB-CZ 4.22Å; Q322-F326 WeakPolarHBondContact O-CD2 3.45Å; Q322-F326 VanDerWaalsContact O-CG 3.23Å; Q322-F326 WeakPolarHBondContact O-CG 3.26Å; Q322-F326 PolarHBondContact O-N 2.97Å; S323-F326 PolarHBondContact O-N 3.36Å; F326-M329 PolarHBondContact O-N 3.46Å; F326-A330 VanDerWaalsContact O-CB 3.32Å; F326-A330 WeakPolarHBondContact O-CB 3.47Å; F326-A330 PolarHBondContact O-N 3.24Å |
| 327 | K | 93.1 | Very high | 92.2 | Very high | 69 Ų | 69 | 27.5 Ų | 27.5 | 30% | 0.3 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 170.1 | -78.1 | 176 | -178.8 | -174.1 | 0 | 112.6 | L277 S323 I325 S331 L364 F585 | L277-K327 HydrophobicContact CD2-CB 4.26Å; L277-K327 HydrophobicContact CD2-CG 3.49Å; L277-K327 VanDerWaalsContact CD2-CG 3.49Å; S323-K327 WeakPolarHBondContact O-CG 3.24Å; S323-K327 PolarHBondContact O-N 3.37Å; I325-K327 VanDerWaalsContact C-N 3.34Å; I325-K327 PolarHBondContact O-N 3.03Å; K327-S331 WeakPolarHBondContact O-CB 3.42Å; K327-S331 PolarHBondContact O-N 3.49Å; K327-L364 HydrophobicContact CG-CD2 4.25Å; K327-F585 HydrophobicContact CB-CE1 4.21Å; K327-F585 HydrophobicContact CD-CE1 4.48Å; K327-F585 HydrophobicContact CD-CZ 4.37Å |
| 328 | I | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70 | -43 | 179 | -60.5 | 171.2 | 0 | 0 | 0 | 110.2 | S324 I325 A330 S331 I332 L365 I408 L412 F585 L587 V588 L591 | S324-I328 WeakPolarHBondContact O-CG1 3.33Å; S324-I328 PolarHBondContact O-N 3.08Å; I325-I328 PolarHBondContact O-N 2.9Å; I325-I328 VanDerWaalsContact O-N 3.14Å; I328-A330 PolarHBondContact O-N 3.28Å; I328-S331 WeakPolarHBondContact O-CB 3.45Å; I328-S331 PolarHBondContact O-N 3.06Å; I328-S331 PolarHBondContact O-OG 3.29Å; I328-I332 WeakPolarHBondContact O-CG1 3.41Å; I328-I332 PolarHBondContact O-N 2.98Å; I328-I332 VanDerWaalsContact O-N 3.16Å; I328-L365 HydrophobicContact CB-CD2 4.39Å; I328-L365 HydrophobicContact CG1-CD2 3.93Å; I328-L365 HydrophobicContact CG2-CD2 4.31Å; I328-I408 HydrophobicContact CG2-CG2 3.37Å; I328-L412 HydrophobicContact CB-CD2 3.96Å; I328-L412 HydrophobicContact CD1-CD1 4.27Å; I328-L412 HydrophobicContact CG2-CD2 3.78Å; I328-F585 HydrophobicContact CD1-CE1 4.46Å; I328-F585 HydrophobicContact CG1-CE1 4.13Å; I328-L587 HydrophobicContact CD1-CD2 3.68Å; I328-L587 HydrophobicContact CD1-CG 3.91Å; I328-V588 HydrophobicContact CD1-CG2 3.89Å; I328-V588 HydrophobicContact CG1-CG2 4.01Å; I328-L591 HydrophobicContact CD1-CD1 3.84Å |
| 329 | M | 94.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 173.8 | -66.6 | -60.6 | -167.3 | 0 | 0 | 112.6 | I206 I261 F262 L265 I325 F326 S331 I332 L333 Y409 L412 | I206-M329 HydrophobicContact CG2-CE 4.12Å; I261-M329 HydrophobicContact CG1-CE 4.42Å; I261-M329 HydrophobicContact CG2-CE 4.05Å; I261-M329 HydrophobicContact CG2-SD 4.41Å; F262-M329 HydrophobicContact CE1-CB 4.33Å; F262-M329 HydrophobicContact CE1-SD 4.1Å; F262-M329 HydrophobicContact CZ-SD 4.24Å; L265-M329 HydrophobicContact CD2-CB 3.94Å; I325-M329 HydrophobicContact CG2-CG 4.35Å; I325-M329 WeakPolarHBondContact O-CG 3.38Å; I325-M329 PolarHBondContact O-N 3.29Å; F326-M329 PolarHBondContact O-N 3.46Å; M329-S331 VanDerWaalsContact C-N 3.3Å; M329-S331 PolarHBondContact O-N 3.44Å; M329-I332 PolarHBondContact O-N 2.88Å; M329-L333 PolarHBondContact O-N 2.99Å; M329-Y409 HydrophobicContact CE-CD2 4.26Å; M329-Y409 HydrophobicContact CE-CE2 3.63Å; M329-Y409 HydrophobicContact SD-CD2 3.85Å; M329-Y409 HydrophobicContact SD-CE2 3.55Å; M329-Y409 VanDerWaalsContact SD-CE2 3.55Å; M329-L412 HydrophobicContact CE-CD2 3.62Å; M329-L412 HydrophobicContact CE-CG 4.36Å; M329-L412 HydrophobicContact CG-CD2 4.02Å; M329-L412 HydrophobicContact SD-CD2 3.71Å |
| 330 | A | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L265 L277 L279 F326 I328 I332 L333 H334 L364 | L265-A330 HydrophobicContact CD2-CB 4.4Å; L277-A330 HydrophobicContact CB-CB 4.04Å; L277-A330 HydrophobicContact CD1-CB 4.34Å; L277-A330 HydrophobicContact CD2-CB 4.33Å; L277-A330 HydrophobicContact CG-CB 4.48Å; L279-A330 HydrophobicContact CD2-CB 3.86Å; L279-A330 HydrophobicContact CG-CB 4.3Å; F326-A330 VanDerWaalsContact O-CB 3.32Å; F326-A330 WeakPolarHBondContact O-CB 3.47Å; F326-A330 PolarHBondContact O-N 3.24Å; I328-A330 PolarHBondContact O-N 3.28Å; A330-I332 VanDerWaalsContact C-N 3.3Å; A330-I332 PolarHBondContact O-N 3.03Å; A330-L333 PolarHBondContact O-N 3.15Å; A330-H334 PolarHBondContact O-CD2 2.89Å; A330-H334 VanDerWaalsContact O-CD2 3.23Å; A330-H334 PolarHBondContact O-N 2.9Å; A330-H334 VanDerWaalsContact O-N 3.08Å; A330-L364 HydrophobicContact CB-CD1 4.1Å |
| 331 | S | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.2 | -37.2 | 176.2 | 82.5 | 0 | 0 | 0 | 0 | 112.5 | K327 I328 M329 L333 H334 L335 F361 L365 | K327-S331 WeakPolarHBondContact O-CB 3.42Å; K327-S331 PolarHBondContact O-N 3.49Å; I328-S331 WeakPolarHBondContact O-CB 3.45Å; I328-S331 PolarHBondContact O-N 3.06Å; I328-S331 PolarHBondContact O-OG 3.29Å; M329-S331 VanDerWaalsContact C-N 3.3Å; M329-S331 PolarHBondContact O-N 3.44Å; S331-L333 VanDerWaalsContact C-N 3.35Å; S331-L333 PolarHBondContact O-N 3.45Å; S331-H334 PolarHBondContact O-N 3.33Å; S331-L335 WeakPolarHBondContact O-CB 3.27Å; S331-L335 PolarHBondContact O-N 3.28Å; S331-F361 VanDerWaalsContact O-CD2 3.3Å; S331-F361 WeakPolarHBondContact O-CD2 3.19Å; S331-L365 WeakPolarHBondContact OG-CD2 3.48Å |
| 332 | I | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.6 | -66.3 | 164.8 | 0 | 0 | 0 | 110.8 | V249 F262 Y287 I328 M329 A330 L335 G336 A405 I408 Y409 | V249-I332 HydrophobicContact CG1-CG2 3.92Å; F262-I332 HydrophobicContact CE1-CB 4.41Å; F262-I332 HydrophobicContact CE1-CG2 4.35Å; F262-I332 HydrophobicContact CZ-CG2 4.17Å; Y287-I332 HydrophobicContact CD2-CG2 4.1Å; Y287-I332 VanDerWaalsContact CD2-O 3.27Å; Y287-I332 WeakPolarHBondContact CD2-O 3.3Å; Y287-I332 HydrophobicContact CE2-CG2 4.25Å; Y287-I332 WeakPolarHBondContact CE2-O 3.38Å; I328-I332 WeakPolarHBondContact O-CG1 3.41Å; I328-I332 PolarHBondContact O-N 2.98Å; I328-I332 VanDerWaalsContact O-N 3.16Å; M329-I332 PolarHBondContact O-N 2.88Å; A330-I332 VanDerWaalsContact C-N 3.3Å; A330-I332 PolarHBondContact O-N 3.03Å; I332-L335 PolarHBondContact O-N 2.92Å; I332-G336 PolarHBondContact O-N 3.42Å; I332-A405 HydrophobicContact CG2-CB 4.24Å; I332-I408 HydrophobicContact CD1-CB 4.3Å; I332-I408 HydrophobicContact CD1-CG2 3.94Å; I332-I408 HydrophobicContact CG1-CB 4.35Å; I332-I408 HydrophobicContact CG1-CG2 4.08Å; I332-Y409 HydrophobicContact CD1-CD2 3.94Å; I332-Y409 HydrophobicContact CD1-CG 4.5Å |
| 333 | L | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 174.8 | -66 | 176.6 | 0 | 0 | 0 | 111.9 | F262 L279 F285 T288 M329 A330 S331 L335 G336 | F262-L333 HydrophobicContact CB-CD2 4.28Å; F262-L333 HydrophobicContact CD1-CD1 3.95Å; F262-L333 HydrophobicContact CD1-CD2 3.63Å; F262-L333 HydrophobicContact CD1-CG 3.7Å; F262-L333 HydrophobicContact CE1-CD2 4.13Å; F262-L333 HydrophobicContact CE1-CG 4.11Å; F262-L333 HydrophobicContact CG-CD2 4.08Å; L279-L333 HydrophobicContact CD2-CD1 3.93Å; F285-L333 HydrophobicContact CB-CB 4.47Å; F285-L333 HydrophobicContact CB-CD2 4.29Å; F285-L333 HydrophobicContact CD1-CB 3.72Å; F285-L333 WeakPolarHBondContact CD1-O 3.34Å; F285-L333 HydrophobicContact CD2-CB 4.19Å; F285-L333 HydrophobicContact CD2-CD1 4.09Å; F285-L333 HydrophobicContact CE1-CB 3.83Å; F285-L333 HydrophobicContact CE2-CB 4.28Å; F285-L333 HydrophobicContact CE2-CD1 4.13Å; F285-L333 HydrophobicContact CG-CB 3.91Å; F285-L333 HydrophobicContact CG-CD2 4.47Å; F285-L333 HydrophobicContact CZ-CB 4.11Å; T288-L333 HydrophobicContact CG2-CD2 3.86Å; M329-L333 PolarHBondContact O-N 2.99Å; A330-L333 PolarHBondContact O-N 3.15Å; S331-L333 VanDerWaalsContact C-N 3.35Å; S331-L333 PolarHBondContact O-N 3.45Å; L333-L335 PolarHBondContact O-N 3.09Å; L333-G336 PolarHBondContact O-N 3.42Å |
| 334 | H | 95.2 | Very high | 91 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 173.4 | -72.5 | -70.7 | 0 | 0 | 0 | 112.4 | L277 S278 F285 A330 S331 G336 N337 V338 H357 H360 F361 | L277-H334 PolarHBondContact O-NE2 3.2Å; S278-H334 PolarHBondContact O-CE1 3.34Å; S278-H334 VanDerWaalsContact O-CE1 3.27Å; S278-H334 PolarHBondContact O-NE2 3.08Å; F285-H334 AromaticContact CE1-CE1 3.93Å; F285-H334 AromaticContact CE1-ND1 3.88Å; A330-H334 PolarHBondContact O-CD2 2.89Å; A330-H334 VanDerWaalsContact O-CD2 3.23Å; A330-H334 PolarHBondContact O-N 2.9Å; A330-H334 VanDerWaalsContact O-N 3.08Å; S331-H334 PolarHBondContact O-N 3.33Å; H334-G336 VanDerWaalsContact C-N 3.26Å; H334-G336 PolarHBondContact O-N 2.87Å; H334-N337 PolarHBondContact O-N 3.43Å; H334-N337 VanDerWaalsContact O-N 3.08Å; H334-V338 PolarHBondContact O-N 3.45Å; H334-H357 HydrophobicContact CB-CB 4.23Å; H334-H357 AromaticContact ND1-CG 3.98Å; H334-H357 AromaticContact ND1-ND1 3.25Å; H334-H357 PolarHBondContact ND1-ND1 3.17Å; H334-H357 WeakPolarHBondContact O-CB 3.36Å; H334-H360 HydrophobicContact CB-CB 4.41Å; H334-H360 AromaticContact CE1-CD2 3.51Å; H334-H360 AromaticContact ND1-CD2 3.86Å; H334-F361 HydrophobicContact CB-CB 4.42Å |
| 335 | L | 94.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -36.3 | 178.8 | -175.7 | 60.1 | 0 | 0 | 0 | 112.5 | S331 I332 L333 N337 V338 F361 R401 L404 A405 I408 | S331-L335 WeakPolarHBondContact O-CB 3.27Å; S331-L335 PolarHBondContact O-N 3.28Å; I332-L335 PolarHBondContact O-N 2.92Å; L333-L335 PolarHBondContact O-N 3.09Å; L335-N337 VanDerWaalsContact C-N 3.27Å; L335-N337 PolarHBondContact O-N 2.84Å; L335-V338 HydrophobicContact CD1-CG2 4.41Å; L335-V338 PolarHBondContact O-N 3.11Å; L335-F361 HydrophobicContact CB-CD2 3.79Å; L335-F361 HydrophobicContact CB-CE2 3.86Å; L335-F361 HydrophobicContact CB-CG 4.42Å; L335-F361 HydrophobicContact CD1-CD1 4.24Å; L335-F361 HydrophobicContact CD1-CD2 4.33Å; L335-F361 HydrophobicContact CD1-CE1 4.03Å; L335-F361 HydrophobicContact CD1-CE2 4.11Å; L335-F361 HydrophobicContact CD1-CG 4.38Å; L335-F361 HydrophobicContact CD1-CZ 3.96Å; L335-F361 HydrophobicContact CD2-CE2 3.74Å; L335-F361 HydrophobicContact CD2-CZ 3.86Å; L335-F361 HydrophobicContact CG-CD2 4.43Å; L335-F361 HydrophobicContact CG-CE2 4.11Å; L335-F361 HydrophobicContact CG-CZ 4.35Å; L335-R401 HydrophobicContact CD1-CG 3.82Å; L335-R401 HydrophobicContact CG-CG 3.89Å; L335-R401 VanDerWaalsContact O-CD 3.32Å; L335-R401 WeakPolarHBondContact O-CD 3.41Å; L335-L404 HydrophobicContact CD2-CB 4.39Å; L335-L404 HydrophobicContact CD2-CD2 4.3Å; L335-L404 HydrophobicContact CD2-CG 4.41Å; L335-A405 HydrophobicContact CD2-CB 3.99Å; L335-I408 HydrophobicContact CD2-CD1 4.45Å |
| 336 | G | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -23.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I332 L333 H334 R401 | I332-G336 PolarHBondContact O-N 3.42Å; L333-G336 PolarHBondContact O-N 3.42Å; H334-G336 VanDerWaalsContact C-N 3.26Å; H334-G336 PolarHBondContact O-N 2.87Å; G336-R401 PolarHBondContact O-NH1 2.83Å |
| 337 | N | 94.3 | Very high | 87.9 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -2.8 | 177.7 | -79.6 | 42.6 | 0 | 0 | 0 | 113.8 | D284 F285 T286 H334 L335 E339 H357 | D284-N337 PolarHBondContact O-ND2 3.49Å; F285-N337 VanDerWaalsContact CA-OD1 3.3Å; F285-N337 WeakPolarHBondContact CA-OD1 3.17Å; T286-N337 PolarHBondContact N-OD1 3.11Å; T286-N337 PolarHBondContact OG1-OD1 3.19Å; H334-N337 PolarHBondContact O-N 3.43Å; H334-N337 VanDerWaalsContact O-N 3.08Å; L335-N337 VanDerWaalsContact C-N 3.27Å; L335-N337 PolarHBondContact O-N 2.84Å; N337-E339 PolarHBondContact O-N 3.32Å; N337-H357 HydrophobicContact CB-CB 4.03Å; N337-H357 VanDerWaalsContact CB-ND1 3.31Å; N337-H357 WeakPolarHBondContact CB-ND1 3.45Å; N337-H357 PolarHBondContact ND2-CE1 2.9Å; N337-H357 VanDerWaalsContact ND2-CE1 3.26Å |
| 338 | V | 92.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -66.5 | 117.5 | 177 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | H334 L335 V351 D355 H357 L358 L376 R401 | H334-V338 PolarHBondContact O-N 3.45Å; L335-V338 HydrophobicContact CD1-CG2 4.41Å; L335-V338 PolarHBondContact O-N 3.11Å; V338-V351 HydrophobicContact CG1-CG1 3.66Å; V338-V351 HydrophobicContact CG1-CG2 4.25Å; V338-D355 WeakPolarHBondContact CA-OD2 3.24Å; V338-H357 HydrophobicContact CG2-CB 4.37Å; V338-L358 HydrophobicContact CG1-CB 4.32Å; V338-L358 HydrophobicContact CG1-CD1 4.47Å; V338-L358 HydrophobicContact CG2-CB 3.98Å; V338-L358 HydrophobicContact CG2-CD1 4.25Å; V338-L376 HydrophobicContact CG1-CD1 4.46Å; V338-R401 PolarHBondContact O-NH1 2.87Å | ||
| 339 | E | 87.1 | Confident | 87.1 | Confident | 119 Ų | 119 | 46 Ų | 46 | 56% | 0.556 | 23% | 0.234 | S | C | * | . | trans | -83.2 | 121.9 | -178.8 | -74.5 | -169.6 | 158.9 | 0 | 0 | 111.2 | N337 V351 T352 D355 | N337-E339 PolarHBondContact O-N 3.32Å; E339-V351 WeakPolarHBondContact O-CA 3.19Å; E339-T352 WeakPolarHBondContact CB-OG1 3.14Å; E339-T352 PolarHBondContact O-N 3.36Å; E339-T352 VanDerWaalsContact O-N 3.08Å; E339-T352 PolarHBondContact OE2-OG1 3.02Å; E339-D355 PolarHBondContact N-OD2 2.93Å; E339-D355 VanDerWaalsContact N-OD2 3.15Å | ||
| 340 | I | 88.4 | Confident | 86.8 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.5 | 177.4 | -59.2 | 169.3 | 0 | 0 | 0 | 108.2 | C349 C394 A397 V398 R401 | I340-C349 HydrophobicContact CG2-CB 3.76Å; I340-C394 PolarHBondContact O-SG 3.31Å; I340-A397 HydrophobicContact CD1-CB 4.01Å; I340-A397 HydrophobicContact CG2-CB 3.97Å; I340-V398 HydrophobicContact CB-CG2 4.4Å; I340-V398 HydrophobicContact CD1-CG2 4.26Å; I340-R401 HydrophobicContact CD1-CB 4.38Å |
| 341 | V | 87.4 | Confident | 86.5 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.7 | -173.1 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | C349 H350 | V341-C349 CarbonylContact O-C 3.58Å; V341-C349 WeakPolarHBondContact O-CA 3.32Å; V341-C349 VanDerWaalsContact O-CB 3.27Å; V341-C349 WeakPolarHBondContact O-CB 3.37Å; V341-H350 PolarHBondContact N-O 3.44Å; V341-H350 PolarHBondContact O-N 2.87Å |
| 342 | S | 84.9 | Confident | 86.1 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 136.1 | 172.7 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 343 | E | 81.3 | Confident | 85.2 | Confident | 93 Ų | 93 | 63.2 Ų | 63.2 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | trans | -73.8 | 167.7 | 165.8 | -60.2 | -169 | 123.1 | 0 | 0 | 110.9 | D345 G346 S348 | E343-D345 PolarHBondContact O-N 3.36Å; E343-G346 PolarHBondContact O-N 3.41Å; E343-S348 WeakPolarHBondContact CB-OG 3.41Å; E343-S348 PolarHBondContact N-O 2.97Å; E343-S348 VanDerWaalsContact OE2-CB 3.23Å; E343-S348 WeakPolarHBondContact OE2-CB 3.46Å; E343-S348 PolarHBondContact OE2-OG 2.81Å | ||
| 344 | R | 73.9 | Confident | 84.5 | Confident | 254 Ų | 254 | 70.2 Ų | 70.2 | 96% | 0.958 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.9 | -173.6 | -58.3 | -175.8 | -171.6 | -163 | 1.7 | 113.9 | ||
| 345 | D | 68.9 | Low | 84.1 | Confident | 137 Ų | 137 | 71 Ų | 71 | 73% | 0.733 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -7.2 | -174.1 | -57.2 | -1.3 | 0 | 0 | 0 | 112.1 | E343 E347 | E343-D345 PolarHBondContact O-N 3.36Å; D345-E347 PolarHBondContact O-N 2.91Å |
| 346 | G | 68.9 | Low | 84 | Confident | 43 Ų | 43 | 74.9 Ų | 74.9 | 44% | 0.443 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 71.8 | -25.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | E343 S393 | E343-G346 PolarHBondContact O-N 3.41Å; G346-S393 WeakPolarHBondContact O-CB 3.45Å |
| 347 | E | 74.3 | Confident | 84 | Confident | 124 Ų | 124 | 76.7 Ų | 76.7 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -79.4 | -14.3 | 177.8 | -74 | -144 | -170.4 | 0 | 0 | 114.7 | D345 K390 M392 S393 | D345-E347 PolarHBondContact O-N 2.91Å; E347-K390 IonicContact OE2-NZ 3.7Å; E347-K390 PolarHBondContact OE2-NZ 3.41Å; E347-M392 CarbonylContact O-C 3.56Å; E347-M392 VanDerWaalsContact O-C 3.3Å; E347-S393 PolarHBondContact O-N 3.06Å |
| 348 | S | 83.4 | Confident | 83.8 | Confident | 12 Ų | 12 | 75.7 Ų | 75.7 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | trans | -125.1 | 159.3 | -178.6 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | E343 M392 | E343-S348 WeakPolarHBondContact CB-OG 3.41Å; E343-S348 PolarHBondContact N-O 2.97Å; E343-S348 VanDerWaalsContact OE2-CB 3.23Å; E343-S348 WeakPolarHBondContact OE2-CB 3.46Å; E343-S348 PolarHBondContact OE2-OG 2.81Å; S348-M392 CarbonylContact C-O 3.47Å; S348-M392 WeakPolarHBondContact CA-O 3.48Å | ||
| 349 | C | 87.9 | Confident | 83.8 | Confident | 6 Ų | 6 | 79.7 Ų | 79.7 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 164.8 | 175.7 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | I340 V341 C377 M392 C394 A397 | I340-C349 HydrophobicContact CG2-CB 3.76Å; V341-C349 CarbonylContact O-C 3.58Å; V341-C349 WeakPolarHBondContact O-CA 3.32Å; V341-C349 VanDerWaalsContact O-CB 3.27Å; V341-C349 WeakPolarHBondContact O-CB 3.37Å; C349-C377 WeakPolarHBondContact O-CB 3.35Å; C349-M392 PolarHBondContact N-O 2.7Å; C349-M392 PolarHBondContact SG-O 3.06Å; C349-C394 HydrophobicContact CB-CB 4.12Å; C349-A397 VanDerWaalsContact SG-CB 3.53Å |
| 350 | H | 87.1 | Confident | 84.1 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 158.2 | 174.6 | 59.1 | -81 | 0 | 0 | 0 | 110.3 | V341 C377 | V341-H350 PolarHBondContact N-O 3.44Å; V341-H350 PolarHBondContact O-N 2.87Å; H350-C377 VanDerWaalsContact CA-SG 3.6Å |
| 351 | V | 87.6 | Confident | 84.4 | Confident | 8 Ų | 8 | 75.2 Ų | 75.2 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 147.8 | 170.9 | -176.2 | 0 | 0 | 0 | 0 | 110 | V338 E339 R353 D355 L358 L376 | V338-V351 HydrophobicContact CG1-CG1 3.66Å; V338-V351 HydrophobicContact CG1-CG2 4.25Å; E339-V351 WeakPolarHBondContact O-CA 3.19Å; V351-R353 PolarHBondContact O-N 3.43Å; V351-D355 HydrophobicContact CG1-CB 3.83Å; V351-L358 HydrophobicContact CG1-CD2 4.08Å; V351-L358 HydrophobicContact CG2-CD2 4.46Å; V351-L376 HydrophobicContact CG2-CD1 4.44Å |
| 352 | T | 86.3 | Confident | 84.6 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 133 | 173 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | E339 N354 D355 | E339-T352 WeakPolarHBondContact CB-OG1 3.14Å; E339-T352 PolarHBondContact O-N 3.36Å; E339-T352 VanDerWaalsContact O-N 3.08Å; E339-T352 PolarHBondContact OE2-OG1 3.02Å; T352-N354 PolarHBondContact O-N 3.06Å; T352-D355 WeakPolarHBondContact O-CB 3.43Å; T352-D355 PolarHBondContact O-N 3.14Å; T352-D355 VanDerWaalsContact O-N 3.09Å |
| 353 | R | 78.1 | Confident | 85 | Confident | 231 Ų | 231 | 75.2 Ų | 75.2 | 87% | 0.872 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 127.7 | -175.2 | -72.6 | -174.3 | 176.7 | -171.3 | -1 | 111.6 | V351 D355 | V351-R353 PolarHBondContact O-N 3.43Å; R353-D355 VanDerWaalsContact C-N 3.28Å; R353-D355 PolarHBondContact O-N 2.87Å |
| 354 | N | 79.5 | Confident | 85.6 | Confident | 147 Ų | 147 | 71.2 Ų | 71.2 | 79% | 0.786 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 33.4 | -175 | -60.1 | -10.5 | 0 | 0 | 0 | 113.8 | T352 V356 Q359 | T352-N354 PolarHBondContact O-N 3.06Å; N354-V356 PolarHBondContact O-N 2.96Å; N354-Q359 PolarHBondContact O-NE2 3.38Å |
| 355 | D | 87.8 | Confident | 86.4 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 10% | 0.096 | 29% | 0.294 | C | S | . | . | trans | -46.7 | 124.4 | 170.8 | -175 | -51.4 | 0 | 0 | 0 | 111.1 | V338 E339 V351 T352 R353 H357 L358 Q359 | V338-D355 WeakPolarHBondContact CA-OD2 3.24Å; E339-D355 PolarHBondContact N-OD2 2.93Å; E339-D355 VanDerWaalsContact N-OD2 3.15Å; V351-D355 HydrophobicContact CG1-CB 3.83Å; T352-D355 WeakPolarHBondContact O-CB 3.43Å; T352-D355 PolarHBondContact O-N 3.14Å; T352-D355 VanDerWaalsContact O-N 3.09Å; R353-D355 VanDerWaalsContact C-N 3.28Å; R353-D355 PolarHBondContact O-N 2.87Å; D355-H357 WeakPolarHBondContact OD1-CA 3.37Å; D355-H357 WeakPolarHBondContact OD1-CB 3.18Å; D355-H357 PolarHBondContact OD1-N 3.41Å; D355-L358 HydrophobicContact CB-CB 4.1Å; D355-L358 PolarHBondContact OD1-N 2.81Å; D355-Q359 WeakPolarHBondContact O-CG 3.47Å; D355-Q359 PolarHBondContact O-N 2.91Å; D355-Q359 PolarHBondContact O-NE2 2.95Å | ||
| 356 | V | 90.8 | Very high | 87.5 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -78.9 | -32.7 | -174.9 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | N354 Q359 H360 | N354-V356 PolarHBondContact O-N 2.96Å; V356-Q359 PolarHBondContact O-N 3.31Å; V356-H360 VanDerWaalsContact O-CG 3.29Å; V356-H360 PolarHBondContact O-N 3.49Å |
| 357 | H | 92.8 | Very high | 88.6 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 18% | 0.176 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.4 | -38.6 | 178.5 | -65.4 | -96.7 | 0 | 0 | 0 | 111 | H334 N337 V338 D355 Q359 H360 F361 | H334-H357 HydrophobicContact CB-CB 4.23Å; H334-H357 AromaticContact ND1-CG 3.98Å; H334-H357 AromaticContact ND1-ND1 3.25Å; H334-H357 PolarHBondContact ND1-ND1 3.17Å; H334-H357 WeakPolarHBondContact O-CB 3.36Å; N337-H357 HydrophobicContact CB-CB 4.03Å; N337-H357 VanDerWaalsContact CB-ND1 3.31Å; N337-H357 WeakPolarHBondContact CB-ND1 3.45Å; N337-H357 PolarHBondContact ND2-CE1 2.9Å; N337-H357 VanDerWaalsContact ND2-CE1 3.26Å; V338-H357 HydrophobicContact CG2-CB 4.37Å; D355-H357 WeakPolarHBondContact OD1-CA 3.37Å; D355-H357 WeakPolarHBondContact OD1-CB 3.18Å; D355-H357 PolarHBondContact OD1-N 3.41Å; H357-Q359 VanDerWaalsContact C-N 3.34Å; H357-Q359 PolarHBondContact O-N 3.36Å; H357-H360 PolarHBondContact O-N 3.43Å; H357-F361 WeakPolarHBondContact O-CB 3.49Å; H357-F361 PolarHBondContact O-N 3.01Å |
| 358 | L | 91.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 172.2 | -174.4 | 65.9 | 0 | 0 | 0 | 111.3 | V338 V351 D355 F361 C362 L369 M372 D373 L376 | V338-L358 HydrophobicContact CG1-CB 4.32Å; V338-L358 HydrophobicContact CG1-CD1 4.47Å; V338-L358 HydrophobicContact CG2-CB 3.98Å; V338-L358 HydrophobicContact CG2-CD1 4.25Å; V351-L358 HydrophobicContact CG1-CD2 4.08Å; V351-L358 HydrophobicContact CG2-CD2 4.46Å; D355-L358 HydrophobicContact CB-CB 4.1Å; D355-L358 PolarHBondContact OD1-N 2.81Å; L358-F361 HydrophobicContact CD1-CD1 4.26Å; L358-F361 PolarHBondContact O-N 3.17Å; L358-C362 WeakPolarHBondContact O-CB 3.43Å; L358-C362 PolarHBondContact O-N 3.16Å; L358-C362 PolarHBondContact O-SG 3.11Å; L358-L369 HydrophobicContact CB-CD1 4.48Å; L358-L369 HydrophobicContact CD2-CD1 3.86Å; L358-L369 HydrophobicContact CG-CD1 3.69Å; L358-M372 HydrophobicContact CD1-CB 4.47Å; L358-M372 HydrophobicContact CD1-CG 3.92Å; L358-D373 HydrophobicContact CD2-CB 4.09Å; L358-L376 HydrophobicContact CD1-CD1 3.71Å |
| 359 | Q | 92.3 | Very high | 89.7 | Confident | 83 Ų | 83 | 53.9 Ų | 53.9 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 173.1 | -75.3 | 169.2 | 75.7 | 0 | 0 | 112.2 | N354 D355 V356 H357 R363 L369 | N354-Q359 PolarHBondContact O-NE2 3.38Å; D355-Q359 WeakPolarHBondContact O-CG 3.47Å; D355-Q359 PolarHBondContact O-N 2.91Å; D355-Q359 PolarHBondContact O-NE2 2.95Å; V356-Q359 PolarHBondContact O-N 3.31Å; H357-Q359 VanDerWaalsContact C-N 3.34Å; H357-Q359 PolarHBondContact O-N 3.36Å; Q359-R363 VanDerWaalsContact O-CB 3.26Å; Q359-R363 WeakPolarHBondContact O-CB 3.3Å; Q359-R363 PolarHBondContact O-N 2.97Å; Q359-L369 HydrophobicContact CG-CD1 4.32Å; Q359-L369 HydrophobicContact CG-CD2 3.92Å |
| 360 | H | 93.4 | Very high | 89.7 | Confident | 45 Ų | 45 | 61 Ų | 61 | 21% | 0.208 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 176.1 | -70.3 | -12 | 0 | 0 | 0 | 112.3 | S278 H334 V356 H357 C362 R363 L364 | S278-H360 VanDerWaalsContact CB-CD2 3.43Å; S278-H360 WeakPolarHBondContact CB-CD2 3.33Å; S278-H360 WeakPolarHBondContact CB-NE2 3.4Å; H334-H360 HydrophobicContact CB-CB 4.41Å; H334-H360 AromaticContact CE1-CD2 3.51Å; H334-H360 AromaticContact ND1-CD2 3.86Å; V356-H360 VanDerWaalsContact O-CG 3.29Å; V356-H360 PolarHBondContact O-N 3.49Å; H357-H360 PolarHBondContact O-N 3.43Å; H360-C362 PolarHBondContact O-N 3.42Å; H360-R363 PolarHBondContact O-N 2.88Å; H360-L364 WeakPolarHBondContact O-CB 3.32Å; H360-L364 WeakPolarHBondContact O-CG 3.25Å; H360-L364 PolarHBondContact O-N 3.35Å |
| 361 | F | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.5 | -52.4 | 172.6 | 175.5 | -109.7 | 0 | 0 | 0 | 111.9 | S331 H334 L335 H357 L358 R363 L364 L365 M372 L404 I408 | S331-F361 VanDerWaalsContact O-CD2 3.3Å; S331-F361 WeakPolarHBondContact O-CD2 3.19Å; H334-F361 HydrophobicContact CB-CB 4.42Å; L335-F361 HydrophobicContact CB-CD2 3.79Å; L335-F361 HydrophobicContact CB-CE2 3.86Å; L335-F361 HydrophobicContact CB-CG 4.42Å; L335-F361 HydrophobicContact CD1-CD1 4.24Å; L335-F361 HydrophobicContact CD1-CD2 4.33Å; L335-F361 HydrophobicContact CD1-CE1 4.03Å; L335-F361 HydrophobicContact CD1-CE2 4.11Å; L335-F361 HydrophobicContact CD1-CG 4.38Å; L335-F361 HydrophobicContact CD1-CZ 3.96Å; L335-F361 HydrophobicContact CD2-CE2 3.74Å; L335-F361 HydrophobicContact CD2-CZ 3.86Å; L335-F361 HydrophobicContact CG-CD2 4.43Å; L335-F361 HydrophobicContact CG-CE2 4.11Å; L335-F361 HydrophobicContact CG-CZ 4.35Å; H357-F361 WeakPolarHBondContact O-CB 3.49Å; H357-F361 PolarHBondContact O-N 3.01Å; L358-F361 HydrophobicContact CD1-CD1 4.26Å; L358-F361 PolarHBondContact O-N 3.17Å; F361-R363 PolarHBondContact O-N 2.95Å; F361-L364 PolarHBondContact O-N 3.37Å; F361-L365 HydrophobicContact CD2-CD1 3.86Å; F361-L365 HydrophobicContact CE1-CD1 4.34Å; F361-L365 HydrophobicContact CE2-CD1 3.26Å; F361-L365 HydrophobicContact CE2-CG 4.34Å; F361-L365 HydrophobicContact CZ-CD1 3.55Å; F361-L365 PolarHBondContact O-N 3.34Å; F361-M372 HydrophobicContact CD1-CG 4.16Å; F361-M372 HydrophobicContact CE1-CE 3.93Å; F361-M372 HydrophobicContact CE1-CG 3.81Å; F361-M372 HydrophobicContact CE1-SD 3.93Å; F361-L404 HydrophobicContact CZ-CD2 4.37Å; F361-I408 HydrophobicContact CE2-CD1 4.15Å; F361-I408 HydrophobicContact CZ-CD1 4.22Å |
| 362 | C | 92.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | -178.3 | -63 | 0 | 0 | 0 | 0 | 112.5 | L358 H360 G366 V367 L369 | L358-C362 WeakPolarHBondContact O-CB 3.43Å; L358-C362 PolarHBondContact O-N 3.16Å; L358-C362 PolarHBondContact O-SG 3.11Å; H360-C362 PolarHBondContact O-N 3.42Å; C362-G366 WeakPolarHBondContact O-CA 3.41Å; C362-G366 PolarHBondContact O-N 2.89Å; C362-V367 HydrophobicContact CB-CG2 4.09Å; C362-V367 PolarHBondContact O-N 3.44Å; C362-L369 HydrophobicContact CB-CB 4.34Å; C362-L369 HydrophobicContact CB-CD1 4.24Å |
| 363 | R | 93.2 | Very high | 90.1 | Very high | 122 Ų | 122 | 61.8 Ų | 61.8 | 46% | 0.46 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 174.7 | -179 | -178 | 65.1 | 90.8 | 3.1 | 112.7 | D276 S278 Q359 H360 F361 | D276-R363 VanDerWaalsContact O-CZ 3.28Å; D276-R363 PolarHBondContact O-NH1 2.9Å; D276-R363 PolarHBondContact O-NH2 3.44Å; S278-R363 PolarHBondContact OG-NH2 2.73Å; Q359-R363 VanDerWaalsContact O-CB 3.26Å; Q359-R363 WeakPolarHBondContact O-CB 3.3Å; Q359-R363 PolarHBondContact O-N 2.97Å; H360-R363 PolarHBondContact O-N 2.88Å; F361-R363 PolarHBondContact O-N 2.95Å |
| 364 | L | 92.4 | Very high | 90.7 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.8 | -32.2 | -176.9 | -72 | 169.3 | 0 | 0 | 0 | 112.9 | L277 K327 A330 H360 F361 | L277-L364 HydrophobicContact CD2-CD2 4Å; K327-L364 HydrophobicContact CG-CD2 4.25Å; A330-L364 HydrophobicContact CB-CD1 4.1Å; H360-L364 WeakPolarHBondContact O-CB 3.32Å; H360-L364 WeakPolarHBondContact O-CG 3.25Å; H360-L364 PolarHBondContact O-N 3.35Å; F361-L364 PolarHBondContact O-N 3.37Å |
| 365 | L | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -96.1 | -1.6 | 176.3 | -63.5 | -177.7 | 0 | 0 | 0 | 114.3 | I328 S331 F361 V367 I408 L580 S583 V588 | I328-L365 HydrophobicContact CB-CD2 4.39Å; I328-L365 HydrophobicContact CG1-CD2 3.93Å; I328-L365 HydrophobicContact CG2-CD2 4.31Å; S331-L365 WeakPolarHBondContact OG-CD2 3.48Å; F361-L365 HydrophobicContact CD2-CD1 3.86Å; F361-L365 HydrophobicContact CE1-CD1 4.34Å; F361-L365 HydrophobicContact CE2-CD1 3.26Å; F361-L365 HydrophobicContact CE2-CG 4.34Å; F361-L365 HydrophobicContact CZ-CD1 3.55Å; F361-L365 PolarHBondContact O-N 3.34Å; L365-V367 HydrophobicContact CB-CG1 4.47Å; L365-V367 HydrophobicContact CB-CG2 4.28Å; L365-I408 HydrophobicContact CD1-CD1 4.28Å; L365-L580 HydrophobicContact CD1-CD2 3.81Å; L365-S583 PolarHBondContact O-OG 3.04Å; L365-V588 HydrophobicContact CD2-CG1 4.48Å; L365-V588 HydrophobicContact CD2-CG2 3.61Å |
| 366 | G | 90.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 48 Ų | 48 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 50.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C362 S583 E584 | C362-G366 WeakPolarHBondContact O-CA 3.41Å; C362-G366 PolarHBondContact O-N 2.89Å; G366-S583 WeakPolarHBondContact O-CA 3.2Å; G366-E584 PolarHBondContact O-N 3.17Å |
| 367 | V | 92 | Very high | 91.2 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | trans | -126.4 | 151.7 | -177.5 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | C362 L365 L369 M372 I579 L580 | C362-V367 HydrophobicContact CB-CG2 4.09Å; C362-V367 PolarHBondContact O-N 3.44Å; L365-V367 HydrophobicContact CB-CG1 4.47Å; L365-V367 HydrophobicContact CB-CG2 4.28Å; V367-L369 PolarHBondContact O-N 2.99Å; V367-M372 HydrophobicContact CG2-CE 4.36Å; V367-I579 HydrophobicContact CB-CG2 3.68Å; V367-I579 HydrophobicContact CG1-CG2 3.82Å; V367-I579 HydrophobicContact CG2-CG2 4.43Å; V367-L580 HydrophobicContact CG1-CD2 4.35Å | ||
| 368 | E | 91.1 | Very high | 90.9 | Very high | 102 Ų | 102 | 44.6 Ų | 44.6 | 48% | 0.477 | 21% | 0.21 | S | C | . | . | trans | -68.9 | 114 | -177.7 | -168.7 | -170.1 | 176.1 | 0 | 0 | 111.6 | K370 Q371 M372 | E368-K370 VanDerWaalsContact C-N 3.25Å; E368-K370 HydrophobicContact CG-CB 4.38Å; E368-K370 PolarHBondContact O-N 3.05Å; E368-K370 VanDerWaalsContact O-N 3.15Å; E368-Q371 HydrophobicContact CB-CB 4.39Å; E368-Q371 HydrophobicContact CB-CG 3.89Å; E368-Q371 HydrophobicContact CG-CG 4.24Å; E368-Q371 PolarHBondContact O-N 3.36Å; E368-Q371 WeakPolarHBondContact OE2-CG 3.39Å; E368-Q371 PolarHBondContact OE2-NE2 3.4Å; E368-Q371 VanDerWaalsContact OE2-NE2 3.11Å; E368-M372 PolarHBondContact O-N 2.75Å; E368-M372 VanDerWaalsContact O-N 3.15Å | ||
| 369 | L | 89.8 | Confident | 90.6 | Very high | 71 Ų | 71 | 47 Ų | 47 | 37% | 0.372 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -47.9 | -43.4 | 178.6 | 179.5 | 62.3 | 0 | 0 | 0 | 113.5 | L358 Q359 C362 V367 Q371 M372 D373 | L358-L369 HydrophobicContact CB-CD1 4.48Å; L358-L369 HydrophobicContact CD2-CD1 3.86Å; L358-L369 HydrophobicContact CG-CD1 3.69Å; Q359-L369 HydrophobicContact CG-CD1 4.32Å; Q359-L369 HydrophobicContact CG-CD2 3.92Å; C362-L369 HydrophobicContact CB-CB 4.34Å; C362-L369 HydrophobicContact CB-CD1 4.24Å; V367-L369 PolarHBondContact O-N 2.99Å; L369-Q371 PolarHBondContact O-N 2.89Å; L369-M372 PolarHBondContact O-N 2.83Å; L369-D373 VanDerWaalsContact O-CB 3.31Å; L369-D373 WeakPolarHBondContact O-CB 3.41Å; L369-D373 PolarHBondContact O-N 3.34Å |
| 370 | K | 88.6 | Confident | 90.1 | Very high | 156 Ų | 156 | 47.6 Ų | 47.6 | 68% | 0.678 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -67.8 | -32 | -178.8 | -64.3 | 177.9 | -178.4 | 170.8 | 0 | 113.5 | E368 H374 | E368-K370 VanDerWaalsContact C-N 3.25Å; E368-K370 HydrophobicContact CG-CB 4.38Å; E368-K370 PolarHBondContact O-N 3.05Å; E368-K370 VanDerWaalsContact O-N 3.15Å; K370-H374 WeakPolarHBondContact O-CB 3.38Å; K370-H374 PolarHBondContact O-N 3.41Å |
| 371 | Q | 89.7 | Confident | 89.4 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 36% | 0.36 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.6 | -44.5 | 175.3 | -59.3 | -65.8 | -24.6 | 0 | 0 | 109.6 | E368 L369 H374 W375 I579 | E368-Q371 HydrophobicContact CB-CB 4.39Å; E368-Q371 HydrophobicContact CB-CG 3.89Å; E368-Q371 HydrophobicContact CG-CG 4.24Å; E368-Q371 PolarHBondContact O-N 3.36Å; E368-Q371 WeakPolarHBondContact OE2-CG 3.39Å; E368-Q371 PolarHBondContact OE2-NE2 3.4Å; E368-Q371 VanDerWaalsContact OE2-NE2 3.11Å; L369-Q371 PolarHBondContact O-N 2.89Å; Q371-H374 PolarHBondContact O-N 3.44Å; Q371-W375 WeakPolarHBondContact O-CB 3.42Å; Q371-W375 PolarHBondContact O-N 3.46Å; Q371-I579 HydrophobicContact CB-CD1 3.84Å; Q371-I579 HydrophobicContact CB-CG1 3.99Å |
| 372 | M | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.5 | -45.3 | -178.4 | -165.7 | 58.1 | 63.4 | 0 | 0 | 111.8 | L358 F361 V367 E368 L369 H374 W375 L376 L404 I579 | L358-M372 HydrophobicContact CD1-CB 4.47Å; L358-M372 HydrophobicContact CD1-CG 3.92Å; F361-M372 HydrophobicContact CD1-CG 4.16Å; F361-M372 HydrophobicContact CE1-CE 3.93Å; F361-M372 HydrophobicContact CE1-CG 3.81Å; F361-M372 HydrophobicContact CE1-SD 3.93Å; V367-M372 HydrophobicContact CG2-CE 4.36Å; E368-M372 PolarHBondContact O-N 2.75Å; E368-M372 VanDerWaalsContact O-N 3.15Å; L369-M372 PolarHBondContact O-N 2.83Å; M372-H374 VanDerWaalsContact C-N 3.33Å; M372-H374 PolarHBondContact O-N 2.96Å; M372-W375 PolarHBondContact O-N 3.37Å; M372-L376 HydrophobicContact CG-CD1 3.99Å; M372-L376 HydrophobicContact CG-CG 4.26Å; M372-L376 WeakPolarHBondContact O-CB 3.14Å; M372-L376 VanDerWaalsContact O-CG 3.24Å; M372-L376 WeakPolarHBondContact O-CG 3.3Å; M372-L376 PolarHBondContact O-N 3.26Å; M372-L376 HydrophobicContact SD-CD1 4.5Å; M372-L376 HydrophobicContact SD-CG 4.18Å; M372-L404 HydrophobicContact SD-CD2 4.19Å; M372-I579 HydrophobicContact CE-CB 4.04Å; M372-I579 HydrophobicContact CE-CD1 3.89Å; M372-I579 HydrophobicContact CE-CG2 3.73Å; M372-I579 HydrophobicContact SD-CD1 4.36Å |
| 373 | D | 89.6 | Confident | 87.4 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -52.2 | -48.8 | 171.9 | 179 | 50 | 0 | 0 | 0 | 111.9 | L358 L369 | L358-D373 HydrophobicContact CD2-CB 4.09Å; L369-D373 VanDerWaalsContact O-CB 3.31Å; L369-D373 WeakPolarHBondContact O-CB 3.41Å; L369-D373 PolarHBondContact O-N 3.34Å |
| 374 | H | 89.8 | Confident | 86.3 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 31% | 0.31 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -53.3 | 177.5 | -174.1 | 62.1 | 0 | 0 | 0 | 112.7 | K370 Q371 M372 L376 C377 H378 | K370-H374 WeakPolarHBondContact O-CB 3.38Å; K370-H374 PolarHBondContact O-N 3.41Å; Q371-H374 PolarHBondContact O-N 3.44Å; M372-H374 VanDerWaalsContact C-N 3.33Å; M372-H374 PolarHBondContact O-N 2.96Å; H374-L376 VanDerWaalsContact C-N 3.33Å; H374-L376 PolarHBondContact O-N 3.21Å; H374-C377 PolarHBondContact O-N 2.71Å; H374-H378 AromaticContact CE1-CD2 3.57Å; H374-H378 AromaticContact CE1-CE1 3.76Å; H374-H378 AromaticContact CE1-CG 3.41Å; H374-H378 VanDerWaalsContact CE1-CG 3.41Å; H374-H378 AromaticContact CE1-ND1 3.52Å; H374-H378 AromaticContact CE1-NE2 3.78Å; H374-H378 AromaticContact ND1-CE1 3.56Å; H374-H378 AromaticContact ND1-CG 3.71Å; H374-H378 AromaticContact ND1-ND1 3.32Å; H374-H378 PolarHBondContact ND1-ND1 2.72Å; H374-H378 AromaticContact NE2-CG 3.98Å; H374-H378 WeakPolarHBondContact O-CB 3.06Å; H374-H378 PolarHBondContact O-N 2.71Å; H374-H378 PolarHBondContact O-ND1 3.11Å |
| 375 | W | 90.9 | Very high | 85.2 | Confident | 40 Ų | 40 | 60 Ų | 60 | 15% | 0.152 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -82.4 | -1.3 | -171.1 | -64.6 | 112.1 | 0 | 0 | 0 | 114.7 | Q371 M372 H378 K380 V389 E575 Q576 I579 | Q371-W375 WeakPolarHBondContact O-CB 3.42Å; Q371-W375 PolarHBondContact O-N 3.46Å; M372-W375 PolarHBondContact O-N 3.37Å; W375-H378 HydrophobicContact CE3-CB 4.4Å; W375-K380 HydrophobicContact CZ3-CB 4.36Å; W375-V389 HydrophobicContact CH2-CG2 3.89Å; W375-V389 HydrophobicContact CZ3-CG1 4.21Å; W375-V389 HydrophobicContact CZ3-CG2 4.27Å; W375-E575 HydrophobicContact CB-CB 4.38Å; W375-E575 HydrophobicContact CD2-CB 3.67Å; W375-E575 HydrophobicContact CD2-CG 3.98Å; W375-E575 HydrophobicContact CE3-CB 3.68Å; W375-E575 HydrophobicContact CE3-CG 3.69Å; W375-E575 HydrophobicContact CG-CB 4Å; W375-E575 HydrophobicContact CH2-CG 3.97Å; W375-E575 HydrophobicContact CZ2-CG 4.23Å; W375-E575 HydrophobicContact CZ3-CB 4.24Å; W375-E575 HydrophobicContact CZ3-CG 3.7Å; W375-Q576 HydrophobicContact CB-CG 4.43Å; W375-Q576 WeakPolarHBondContact O-CG 3.49Å; W375-Q576 PolarHBondContact O-NE2 3.14Å; W375-I579 HydrophobicContact CB-CD1 4.01Å; W375-I579 HydrophobicContact CG-CD1 4.21Å |
| 376 | L | 88.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -75.9 | -39 | 162.6 | -77.6 | 169.3 | 0 | 0 | 0 | 111.8 | V338 V351 L358 M372 H374 A397 R401 | V338-L376 HydrophobicContact CG1-CD1 4.46Å; V351-L376 HydrophobicContact CG2-CD1 4.44Å; L358-L376 HydrophobicContact CD1-CD1 3.71Å; M372-L376 HydrophobicContact CG-CD1 3.99Å; M372-L376 HydrophobicContact CG-CG 4.26Å; M372-L376 WeakPolarHBondContact O-CB 3.14Å; M372-L376 VanDerWaalsContact O-CG 3.24Å; M372-L376 WeakPolarHBondContact O-CG 3.3Å; M372-L376 PolarHBondContact O-N 3.26Å; M372-L376 HydrophobicContact SD-CD1 4.5Å; M372-L376 HydrophobicContact SD-CG 4.18Å; H374-L376 VanDerWaalsContact C-N 3.33Å; H374-L376 PolarHBondContact O-N 3.21Å; L376-A397 WeakPolarHBondContact O-CB 3.2Å; L376-R401 HydrophobicContact CD2-CB 4.26Å |
| 377 | C | 89.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.014 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -99.8 | -6.5 | -176.8 | -65 | 0 | 0 | 0 | 0 | 114.6 | C349 H350 H374 M392 | C349-C377 WeakPolarHBondContact O-CB 3.35Å; H350-C377 VanDerWaalsContact CA-SG 3.6Å; H374-C377 PolarHBondContact O-N 2.71Å; C377-M392 PolarHBondContact O-N 3.4Å |
| 378 | H | 87.4 | Confident | 83.8 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 21% | 0.208 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 148.8 | -178.8 | -59.7 | 77.2 | 0 | 0 | 0 | 111.7 | H374 W375 V389 | H374-H378 AromaticContact CE1-CD2 3.57Å; H374-H378 AromaticContact CE1-CE1 3.76Å; H374-H378 AromaticContact CE1-CG 3.41Å; H374-H378 VanDerWaalsContact CE1-CG 3.41Å; H374-H378 AromaticContact CE1-ND1 3.52Å; H374-H378 AromaticContact CE1-NE2 3.78Å; H374-H378 AromaticContact ND1-CE1 3.56Å; H374-H378 AromaticContact ND1-CG 3.71Å; H374-H378 AromaticContact ND1-ND1 3.32Å; H374-H378 PolarHBondContact ND1-ND1 2.72Å; H374-H378 AromaticContact NE2-CG 3.98Å; H374-H378 WeakPolarHBondContact O-CB 3.06Å; H374-H378 PolarHBondContact O-N 2.71Å; H374-H378 PolarHBondContact O-ND1 3.11Å; W375-H378 HydrophobicContact CE3-CB 4.4Å; H378-V389 HydrophobicContact CB-CG1 3.78Å |
| 379 | R | 85 | Confident | 83.5 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 151.9 | 170.9 | 64.1 | -177.7 | -172.8 | -171.9 | 1.3 | 111.8 | V389 K390 M392 Y573 | R379-V389 WeakPolarHBondContact O-CA 3.42Å; R379-K390 PolarHBondContact N-O 2.8Å; R379-K390 PolarHBondContact O-N 2.93Å; R379-M392 HydrophobicContact CB-CG 4.37Å; R379-M392 HydrophobicContact CB-SD 3.64Å; R379-M392 HydrophobicContact CG-CG 3.89Å; R379-M392 HydrophobicContact CG-SD 3.83Å; R379-Y573 HydrophobicContact CB-CD1 3.88Å; R379-Y573 HydrophobicContact CB-CE1 3.83Å; R379-Y573 HydrophobicContact CB-CG 4.37Å; R379-Y573 VanDerWaalsContact CD-CE1 3.48Å; R379-Y573 WeakPolarHBondContact CD-OH 3.46Å; R379-Y573 HydrophobicContact CG-CE1 4.3Å; R379-Y573 PolarHBondContact NH1-OH 2.92Å |
| 380 | K | 82.3 | Confident | 83.3 | Confident | 95 Ų | 95 | 72.6 Ų | 72.6 | 41% | 0.413 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 144.4 | 171.7 | -153.8 | 173.6 | -176.3 | 176.3 | 0 | 110.3 | W375 E575 | W375-K380 HydrophobicContact CZ3-CB 4.36Å; K380-E575 HydrophobicContact CB-CG 4.28Å; K380-E575 WeakPolarHBondContact CB-OE1 3.26Å; K380-E575 VanDerWaalsContact CD-OE1 3.28Å; K380-E575 WeakPolarHBondContact CD-OE1 3.38Å |
| 381 | L | 78.4 | Confident | 83.1 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 29% | 0.293 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 109.3 | 174 | -70.8 | 173.8 | 0 | 0 | 0 | 108.9 | T387 F388 K390 | L381-T387 WeakPolarHBondContact O-CA 3.47Å; L381-F388 HydrophobicContact CB-CD1 4.33Å; L381-F388 HydrophobicContact CB-CD2 4.32Å; L381-F388 HydrophobicContact CB-CE1 3.93Å; L381-F388 HydrophobicContact CB-CE2 3.93Å; L381-F388 HydrophobicContact CB-CZ 3.72Å; L381-F388 HydrophobicContact CD1-CD2 4.47Å; L381-F388 HydrophobicContact CD1-CE2 3.58Å; L381-F388 HydrophobicContact CD1-CZ 3.72Å; L381-F388 HydrophobicContact CG-CE2 4.35Å; L381-F388 HydrophobicContact CG-CZ 4.38Å; L381-F388 PolarHBondContact N-O 3.04Å; L381-F388 PolarHBondContact O-N 3.13Å; L381-F388 VanDerWaalsContact O-N 3.12Å; L381-K390 HydrophobicContact CD1-CB 4.05Å |
| 382 | A | 71.1 | Confident | 82.8 | Confident | 86 Ų | 86 | 63.9 Ų | 63.9 | 71% | 0.711 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 113.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T387 | A382-T387 HydrophobicContact CB-CG2 3.8Å |
| 383 | T | 72.8 | Confident | 82.6 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | trans | -97.1 | 165.7 | 168.2 | -55 | 0 | 0 | 0 | 0 | 108.7 | S385 E386 | T383-S385 PolarHBondContact O-N 3.34Å; T383-E386 WeakPolarHBondContact CA-O 3.22Å; T383-E386 WeakPolarHBondContact CB-O 3.14Å; T383-E386 PolarHBondContact N-O 2.83Å; T383-E386 PolarHBondContact O-N 3.03Å | ||
| 384 | A | 70.6 | Confident | 82.4 | Confident | 115 Ų | 115 | 63.5 Ų | 63.5 | 95% | 0.95 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -61.8 | -14.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 385 | S | 69.2 | Low | 82 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 71% | 0.706 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -119 | -27.2 | 179.3 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | T383 | T383-S385 PolarHBondContact O-N 3.34Š|
| 386 | E | 81.8 | Confident | 81.6 | Confident | 141 Ų | 141 | 68.1 Ų | 68.1 | 66% | 0.659 | 39% | 0.386 | S | S | * | . | trans | -148.7 | 152.6 | -166.4 | -67 | -179.6 | -175.2 | 0 | 0 | 111.9 | T383 | T383-E386 WeakPolarHBondContact CA-O 3.22Å; T383-E386 WeakPolarHBondContact CB-O 3.14Å; T383-E386 PolarHBondContact N-O 2.83Å; T383-E386 PolarHBondContact O-N 3.03Å | ||
| 387 | T | 78.6 | Confident | 81.5 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.6 | 168.7 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | L381 A382 | L381-T387 WeakPolarHBondContact O-CA 3.47Å; A382-T387 HydrophobicContact CB-CG2 3.8Å |
| 388 | F | 84.7 | Confident | 81.3 | Confident | 100 Ų | 100 | 69.6 Ų | 69.6 | 44% | 0.439 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 157.6 | 174.7 | 63.8 | -85.3 | 0 | 0 | 0 | 111 | L381 | L381-F388 HydrophobicContact CB-CD1 4.33Å; L381-F388 HydrophobicContact CB-CD2 4.32Å; L381-F388 HydrophobicContact CB-CE1 3.93Å; L381-F388 HydrophobicContact CB-CE2 3.93Å; L381-F388 HydrophobicContact CB-CZ 3.72Å; L381-F388 HydrophobicContact CD1-CD2 4.47Å; L381-F388 HydrophobicContact CD1-CE2 3.58Å; L381-F388 HydrophobicContact CD1-CZ 3.72Å; L381-F388 HydrophobicContact CG-CE2 4.35Å; L381-F388 HydrophobicContact CG-CZ 4.38Å; L381-F388 PolarHBondContact N-O 3.04Å; L381-F388 PolarHBondContact O-N 3.13Å; L381-F388 VanDerWaalsContact O-N 3.12Å |
| 389 | V | 85.1 | Confident | 81.1 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.8 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | W375 H378 R379 | W375-V389 HydrophobicContact CH2-CG2 3.89Å; W375-V389 HydrophobicContact CZ3-CG1 4.21Å; W375-V389 HydrophobicContact CZ3-CG2 4.27Å; H378-V389 HydrophobicContact CB-CG1 3.78Å; R379-V389 WeakPolarHBondContact O-CA 3.42Å |
| 390 | K | 85.2 | Confident | 81.1 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 33% | 0.326 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.3 | 168.3 | -156.2 | -153.7 | 168.1 | -173.4 | 0 | 109.7 | E347 R379 L381 | E347-K390 IonicContact OE2-NZ 3.7Å; E347-K390 PolarHBondContact OE2-NZ 3.41Å; R379-K390 PolarHBondContact N-O 2.8Å; R379-K390 PolarHBondContact O-N 2.93Å; L381-K390 HydrophobicContact CD1-CB 4.05Å |
| 391 | T | 84.3 | Confident | 81.4 | Confident | 50 Ų | 50 | 64 Ų | 64 | 31% | 0.307 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 153.4 | 158.6 | 45.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 392 | M | 84.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -114.7 | 149.6 | 175.8 | -70.2 | 162.9 | 51.2 | 0 | 0 | 110 | E347 S348 C349 C377 R379 Q396 A397 A400 Y573 | E347-M392 CarbonylContact O-C 3.56Å; E347-M392 VanDerWaalsContact O-C 3.3Å; S348-M392 CarbonylContact C-O 3.47Å; S348-M392 WeakPolarHBondContact CA-O 3.48Å; C349-M392 PolarHBondContact N-O 2.7Å; C349-M392 PolarHBondContact SG-O 3.06Å; C377-M392 PolarHBondContact O-N 3.4Å; R379-M392 HydrophobicContact CB-CG 4.37Å; R379-M392 HydrophobicContact CB-SD 3.64Å; R379-M392 HydrophobicContact CG-CG 3.89Å; R379-M392 HydrophobicContact CG-SD 3.83Å; M392-Q396 HydrophobicContact CB-CB 4.08Å; M392-Q396 VanDerWaalsContact CE-C 3.46Å; M392-Q396 HydrophobicContact CE-CB 4.07Å; M392-Q396 WeakPolarHBondContact CE-O 3.21Å; M392-A397 HydrophobicContact CE-CB 4.22Å; M392-A400 HydrophobicContact CE-CB 3.85Å; M392-Y573 HydrophobicContact CE-CD2 4.33Å; M392-Y573 HydrophobicContact CE-CE2 3.56Å; M392-Y573 HydrophobicContact SD-CE2 4.03Å | ||
| 393 | S | 85.1 | Confident | 82.5 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 22% | 0.217 | 33% | 0.334 | C | S | . | . | trans | -72.9 | 158.7 | 169.1 | 64.2 | 0 | 0 | 0 | 0 | 110.4 | G346 E347 Q395 Q396 A397 | G346-S393 WeakPolarHBondContact O-CB 3.45Å; E347-S393 PolarHBondContact O-N 3.06Å; S393-Q395 VanDerWaalsContact C-N 3.33Å; S393-Q395 PolarHBondContact O-N 3.43Å; S393-Q396 WeakPolarHBondContact O-CA 3.44Å; S393-Q396 WeakPolarHBondContact O-CB 3.28Å; S393-Q396 PolarHBondContact O-N 3.08Å; S393-Q396 WeakPolarHBondContact OG-CG 3Å; S393-A397 PolarHBondContact O-N 3.44Å; S393-A397 VanDerWaalsContact O-N 3.08Å | ||
| 394 | C | 86.1 | Confident | 83.3 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -50.7 | -48.9 | -177 | -179.3 | 0 | 0 | 0 | 0 | 112.8 | I340 C349 Q396 A397 V398 | I340-C394 PolarHBondContact O-SG 3.31Å; C349-C394 HydrophobicContact CB-CB 4.12Å; C394-Q396 VanDerWaalsContact C-N 3.3Å; C394-Q396 PolarHBondContact O-N 3.2Å; C394-A397 PolarHBondContact O-N 2.86Å; C394-A397 VanDerWaalsContact O-N 3.09Å; C394-V398 WeakPolarHBondContact O-CG2 3.46Å; C394-V398 PolarHBondContact O-N 3.08Å |
| 395 | Q | 81.9 | Confident | 84.3 | Confident | 125 Ų | 125 | 49.3 Ų | 49.3 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -58.9 | -38.5 | 176.9 | -167.6 | 66.4 | 55.1 | 0 | 0 | 113.1 | S393 A397 N399 | S393-Q395 VanDerWaalsContact C-N 3.33Å; S393-Q395 PolarHBondContact O-N 3.43Å; Q395-A397 VanDerWaalsContact C-N 3.31Å; Q395-A397 PolarHBondContact O-N 3.06Å; Q395-N399 PolarHBondContact NE2-OD1 3.16Å; Q395-N399 VanDerWaalsContact O-CB 3.29Å; Q395-N399 WeakPolarHBondContact O-CB 3.44Å; Q395-N399 PolarHBondContact O-N 3.5Å; Q395-N399 PolarHBondContact O-OD1 3.19Å; Q395-N399 VanDerWaalsContact O-OD1 3.12Å |
| 396 | Q | 81.9 | Confident | 85.3 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.5 | -32.6 | 178.6 | -70.1 | 176.5 | 7.9 | 0 | 0 | 112 | M392 S393 C394 A400 | M392-Q396 HydrophobicContact CB-CB 4.08Å; M392-Q396 VanDerWaalsContact CE-C 3.46Å; M392-Q396 HydrophobicContact CE-CB 4.07Å; M392-Q396 WeakPolarHBondContact CE-O 3.21Å; S393-Q396 WeakPolarHBondContact O-CA 3.44Å; S393-Q396 WeakPolarHBondContact O-CB 3.28Å; S393-Q396 PolarHBondContact O-N 3.08Å; S393-Q396 WeakPolarHBondContact OG-CG 3Å; C394-Q396 VanDerWaalsContact C-N 3.3Å; C394-Q396 PolarHBondContact O-N 3.2Å; Q396-A400 WeakPolarHBondContact O-CB 3.45Å; Q396-A400 PolarHBondContact O-N 2.89Å; Q396-A400 VanDerWaalsContact O-N 3.15Å |
| 397 | A | 85.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78.4 | -38.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I340 C349 L376 M392 S393 C394 Q395 A400 R401 | I340-A397 HydrophobicContact CD1-CB 4.01Å; I340-A397 HydrophobicContact CG2-CB 3.97Å; C349-A397 VanDerWaalsContact SG-CB 3.53Å; L376-A397 WeakPolarHBondContact O-CB 3.2Å; M392-A397 HydrophobicContact CE-CB 4.22Å; S393-A397 PolarHBondContact O-N 3.44Å; S393-A397 VanDerWaalsContact O-N 3.08Å; C394-A397 PolarHBondContact O-N 2.86Å; C394-A397 VanDerWaalsContact O-N 3.09Å; Q395-A397 VanDerWaalsContact C-N 3.31Å; Q395-A397 PolarHBondContact O-N 3.06Å; A397-A400 WeakPolarHBondContact O-CB 3.28Å; A397-A400 PolarHBondContact O-N 3.34Å; A397-R401 WeakPolarHBondContact O-CB 3.23Å; A397-R401 PolarHBondContact O-N 3.18Å |
| 398 | V | 86.8 | Confident | 86.2 | Confident | 34 Ų | 34 | 37 Ų | 37 | 21% | 0.206 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -50.2 | 169.7 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | I340 C394 A400 R401 D402 | I340-V398 HydrophobicContact CB-CG2 4.4Å; I340-V398 HydrophobicContact CD1-CG2 4.26Å; C394-V398 WeakPolarHBondContact O-CG2 3.46Å; C394-V398 PolarHBondContact O-N 3.08Å; V398-A400 PolarHBondContact O-N 3.29Å; V398-A400 VanDerWaalsContact O-N 3.13Å; V398-R401 WeakPolarHBondContact O-CB 3.5Å; V398-R401 PolarHBondContact O-N 3.37Å; V398-D402 WeakPolarHBondContact O-CB 3.34Å; V398-D402 PolarHBondContact O-N 2.99Å |
| 399 | N | 82.1 | Confident | 86.6 | Confident | 50 Ų | 50 | 32.2 Ų | 32.2 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.4 | -29.4 | 175.8 | -71.4 | 17.1 | 0 | 0 | 0 | 112.5 | Q395 A403 E566 | Q395-N399 PolarHBondContact NE2-OD1 3.16Å; Q395-N399 VanDerWaalsContact O-CB 3.29Å; Q395-N399 WeakPolarHBondContact O-CB 3.44Å; Q395-N399 PolarHBondContact O-N 3.5Å; Q395-N399 PolarHBondContact O-OD1 3.19Å; Q395-N399 VanDerWaalsContact O-OD1 3.12Å; N399-A403 WeakPolarHBondContact O-CB 3.34Å; N399-A403 PolarHBondContact O-N 3.44Å; N399-E566 PolarHBondContact ND2-OE2 3.05Å |
| 400 | A | 84.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.017 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -76.7 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | M392 Q396 A397 V398 D402 A403 L404 Y573 | M392-A400 HydrophobicContact CE-CB 3.85Å; Q396-A400 WeakPolarHBondContact O-CB 3.45Å; Q396-A400 PolarHBondContact O-N 2.89Å; Q396-A400 VanDerWaalsContact O-N 3.15Å; A397-A400 WeakPolarHBondContact O-CB 3.28Å; A397-A400 PolarHBondContact O-N 3.34Å; V398-A400 PolarHBondContact O-N 3.29Å; V398-A400 VanDerWaalsContact O-N 3.13Å; A400-D402 PolarHBondContact O-N 3.39Å; A400-A403 WeakPolarHBondContact O-CB 3.34Å; A400-A403 PolarHBondContact O-N 3.37Å; A400-L404 WeakPolarHBondContact O-CB 3.47Å; A400-L404 PolarHBondContact O-N 3.09Å; A400-Y573 HydrophobicContact CB-CD2 3.86Å; A400-Y573 HydrophobicContact CB-CE2 3.72Å |
| 401 | R | 90.2 | Very high | 87 | Confident | 26 Ų | 26 | 29.4 Ų | 29.4 | 10% | 0.098 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.2 | -45.7 | 171.3 | 178.9 | -161.5 | 75.8 | 153.8 | 10.8 | 110.6 | L335 G336 V338 I340 L376 A397 V398 L404 A405 | L335-R401 HydrophobicContact CD1-CG 3.82Å; L335-R401 HydrophobicContact CG-CG 3.89Å; L335-R401 VanDerWaalsContact O-CD 3.32Å; L335-R401 WeakPolarHBondContact O-CD 3.41Å; G336-R401 PolarHBondContact O-NH1 2.83Å; V338-R401 PolarHBondContact O-NH1 2.87Å; I340-R401 HydrophobicContact CD1-CB 4.38Å; L376-R401 HydrophobicContact CD2-CB 4.26Å; A397-R401 WeakPolarHBondContact O-CB 3.23Å; A397-R401 PolarHBondContact O-N 3.18Å; V398-R401 WeakPolarHBondContact O-CB 3.5Å; V398-R401 PolarHBondContact O-N 3.37Å; R401-L404 WeakPolarHBondContact O-CB 3.08Å; R401-L404 PolarHBondContact O-N 3.11Å; R401-A405 PolarHBondContact O-N 3Å |
| 402 | D | 88 | Confident | 87.5 | Confident | 27 Ų | 27 | 27 Ų | 27 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.6 | -35.5 | 179.7 | -63.1 | -5.6 | 0 | 0 | 0 | 112 | V250 Y287 V398 A400 L404 K406 | V250-D402 HydrophobicContact CB-CB 4.18Å; V250-D402 HydrophobicContact CG1-CB 4.1Å; V250-D402 HydrophobicContact CG2-CB 4.21Å; Y287-D402 PolarHBondContact OH-OD1 3.25Å; V398-D402 WeakPolarHBondContact O-CB 3.34Å; V398-D402 PolarHBondContact O-N 2.99Å; A400-D402 PolarHBondContact O-N 3.39Å; D402-L404 VanDerWaalsContact C-N 3.35Å; D402-K406 WeakPolarHBondContact O-CB 3.42Å; D402-K406 WeakPolarHBondContact O-CE 3.4Å; D402-K406 VanDerWaalsContact O-CG 3.28Å; D402-K406 WeakPolarHBondContact O-CG 3.48Å; D402-K406 PolarHBondContact O-N 3.15Å |
| 403 | A | 84.7 | Confident | 87.9 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.033 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N399 A400 H407 V572 | N399-A403 WeakPolarHBondContact O-CB 3.34Å; N399-A403 PolarHBondContact O-N 3.44Å; A400-A403 WeakPolarHBondContact O-CB 3.34Å; A400-A403 PolarHBondContact O-N 3.37Å; A403-H407 WeakPolarHBondContact O-CB 3.45Å; A403-H407 PolarHBondContact O-N 3.42Å; A403-V572 HydrophobicContact CB-CG2 4.24Å |
| 404 | L | 89.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.8 | -47.6 | 177.5 | -168.7 | 64.9 | 0 | 0 | 0 | 111.3 | L335 F361 M372 A400 R401 D402 K406 H407 I408 V572 Q576 L580 | L335-L404 HydrophobicContact CD2-CB 4.39Å; L335-L404 HydrophobicContact CD2-CD2 4.3Å; L335-L404 HydrophobicContact CD2-CG 4.41Å; F361-L404 HydrophobicContact CZ-CD2 4.37Å; M372-L404 HydrophobicContact SD-CD2 4.19Å; A400-L404 WeakPolarHBondContact O-CB 3.47Å; A400-L404 PolarHBondContact O-N 3.09Å; R401-L404 WeakPolarHBondContact O-CB 3.08Å; R401-L404 PolarHBondContact O-N 3.11Å; D402-L404 VanDerWaalsContact C-N 3.35Å; L404-K406 PolarHBondContact O-N 3.36Å; L404-H407 PolarHBondContact O-N 3.44Å; L404-H407 VanDerWaalsContact O-N 3.09Å; L404-I408 HydrophobicContact CG-CD1 4.11Å; L404-I408 WeakPolarHBondContact O-CG1 3.41Å; L404-I408 PolarHBondContact O-N 2.96Å; L404-V572 HydrophobicContact CD1-CG1 3.8Å; L404-Q576 HydrophobicContact CD1-CB 3.83Å; L404-Q576 HydrophobicContact CD2-CB 4.18Å; L404-L580 HydrophobicContact CD1-CD1 3.72Å; L404-L580 HydrophobicContact CG-CD1 4.45Å |
| 405 | A | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.4 | -50.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V250 Y287 I332 L335 R401 H407 I408 Y409 | V250-A405 HydrophobicContact CG1-CB 3.8Å; Y287-A405 HydrophobicContact CE2-CB 3.7Å; I332-A405 HydrophobicContact CG2-CB 4.24Å; L335-A405 HydrophobicContact CD2-CB 3.99Å; R401-A405 PolarHBondContact O-N 3Å; A405-H407 VanDerWaalsContact C-N 3.29Å; A405-H407 PolarHBondContact O-N 2.83Å; A405-I408 PolarHBondContact O-N 3.45Å; A405-Y409 PolarHBondContact O-N 3.19Å |
| 406 | K | 88.3 | Confident | 88.9 | Confident | 30 Ų | 30 | 24.2 Ų | 24.2 | 13% | 0.13 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.2 | -37.9 | 174.8 | -74.3 | -175.8 | -72.8 | 143.5 | 0 | 113.1 | K246 V249 V250 D402 L404 A410 D570 | K246-K406 HydrophobicContact CB-CB 4.23Å; K246-K406 HydrophobicContact CB-CD 4.02Å; K246-K406 HydrophobicContact CB-CG 4.16Å; K246-K406 WeakPolarHBondContact O-CG 3.5Å; V249-K406 HydrophobicContact CB-CG 4.41Å; V250-K406 HydrophobicContact CG1-CG 3.97Å; V250-K406 HydrophobicContact CG2-CD 4.03Å; V250-K406 HydrophobicContact CG2-CG 4.12Å; D402-K406 WeakPolarHBondContact O-CB 3.42Å; D402-K406 WeakPolarHBondContact O-CE 3.4Å; D402-K406 VanDerWaalsContact O-CG 3.28Å; D402-K406 WeakPolarHBondContact O-CG 3.48Å; D402-K406 PolarHBondContact O-N 3.15Å; L404-K406 PolarHBondContact O-N 3.36Å; K406-A410 WeakPolarHBondContact O-CB 3.19Å; K406-A410 PolarHBondContact O-N 2.74Å; K406-D570 IonicContact NZ-OD1 2.64Å; K406-D570 PolarHBondContact NZ-OD1 3.37Å |
| 407 | H | 87.6 | Confident | 89.3 | Confident | 36 Ų | 36 | 20.8 Ų | 20.8 | 17% | 0.167 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -73.9 | -40.7 | -178.4 | -161.8 | 55.7 | 0 | 0 | 0 | 112.5 | A403 L404 A405 R411 V572 F592 | A403-H407 WeakPolarHBondContact O-CB 3.45Å; A403-H407 PolarHBondContact O-N 3.42Å; L404-H407 PolarHBondContact O-N 3.44Å; L404-H407 VanDerWaalsContact O-N 3.09Å; A405-H407 VanDerWaalsContact C-N 3.29Å; A405-H407 PolarHBondContact O-N 2.83Å; H407-R411 WeakPolarHBondContact O-CG 3.37Å; H407-R411 PolarHBondContact O-N 2.91Å; H407-V572 HydrophobicContact CB-CG2 3.68Å; H407-F592 AromaticContact CD2-CE1 3.52Å; H407-F592 AromaticContact NE2-CE1 3.9Å |
| 408 | I | 91.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | 173.4 | -61.2 | 161.7 | 0 | 0 | 0 | 109.8 | I328 I332 L335 F361 L365 L404 A405 R411 L412 L580 F592 | I328-I408 HydrophobicContact CG2-CG2 3.37Å; I332-I408 HydrophobicContact CD1-CB 4.3Å; I332-I408 HydrophobicContact CD1-CG2 3.94Å; I332-I408 HydrophobicContact CG1-CB 4.35Å; I332-I408 HydrophobicContact CG1-CG2 4.08Å; L335-I408 HydrophobicContact CD2-CD1 4.45Å; F361-I408 HydrophobicContact CE2-CD1 4.15Å; F361-I408 HydrophobicContact CZ-CD1 4.22Å; L365-I408 HydrophobicContact CD1-CD1 4.28Å; L404-I408 HydrophobicContact CG-CD1 4.11Å; L404-I408 WeakPolarHBondContact O-CG1 3.41Å; L404-I408 PolarHBondContact O-N 2.96Å; A405-I408 PolarHBondContact O-N 3.45Å; I408-R411 PolarHBondContact O-N 2.82Å; I408-L412 WeakPolarHBondContact O-CB 3.3Å; I408-L412 PolarHBondContact O-N 3.48Å; I408-L580 HydrophobicContact CD1-CD1 4.11Å; I408-L580 HydrophobicContact CG1-CD1 3.92Å; I408-F592 HydrophobicContact CB-CZ 4.47Å; I408-F592 HydrophobicContact CG1-CZ 3.94Å |
| 409 | Y | 94.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 178.9 | -164.7 | -92 | 0 | 0 | 0 | 112.4 | I206 L244 V249 Y259 F262 M329 I332 A405 R411 L412 F413 | I206-Y409 WeakPolarHBondContact CA-OH 3.33Å; I206-Y409 PolarHBondContact O-OH 2.82Å; L244-Y409 HydrophobicContact CD2-CD1 4.26Å; L244-Y409 HydrophobicContact CD2-CE1 4.4Å; V249-Y409 HydrophobicContact CG1-CD2 4.35Å; V249-Y409 HydrophobicContact CG1-CG 4.21Å; V249-Y409 HydrophobicContact CG2-CD1 3.55Å; V249-Y409 HydrophobicContact CG2-CD2 4.2Å; V249-Y409 HydrophobicContact CG2-CE1 4.17Å; V249-Y409 HydrophobicContact CG2-CG 3.57Å; Y259-Y409 WeakPolarHBondContact CB-OH 3.19Å; Y259-Y409 AromaticContact CD2-CE1 3.68Å; Y259-Y409 HydrophobicContact CD2-CE1 3.68Å; Y259-Y409 HydrophobicContact CD2-CE2 4.35Å; Y259-Y409 AromaticContact CD2-CZ 3.58Å; Y259-Y409 WeakPolarHBondContact CD2-OH 3.26Å; Y259-Y409 HydrophobicContact CE2-CD1 4.37Å; Y259-Y409 AromaticContact CE2-CE1 3.73Å; Y259-Y409 HydrophobicContact CE2-CE1 3.73Å; Y259-Y409 HydrophobicContact CG-CE1 4.27Å; Y259-Y409 AromaticContact CG-CZ 3.92Å; Y259-Y409 VanDerWaalsContact CG-OH 3.31Å; F262-Y409 HydrophobicContact CE1-CE2 4.46Å; F262-Y409 HydrophobicContact CE2-CD2 4.12Å; F262-Y409 AromaticContact CE2-CE2 3.61Å; F262-Y409 HydrophobicContact CE2-CE2 3.61Å; F262-Y409 AromaticContact CZ-CD2 3.64Å; F262-Y409 HydrophobicContact CZ-CD2 3.64Å; F262-Y409 AromaticContact CZ-CE2 3.47Å; F262-Y409 HydrophobicContact CZ-CE2 3.47Å; F262-Y409 VanDerWaalsContact CZ-CE2 3.47Å; M329-Y409 HydrophobicContact CE-CD2 4.26Å; M329-Y409 HydrophobicContact CE-CE2 3.63Å; M329-Y409 HydrophobicContact SD-CD2 3.85Å; M329-Y409 HydrophobicContact SD-CE2 3.55Å; M329-Y409 VanDerWaalsContact SD-CE2 3.55Å; I332-Y409 HydrophobicContact CD1-CD2 3.94Å; I332-Y409 HydrophobicContact CD1-CG 4.5Å; A405-Y409 PolarHBondContact O-N 3.19Å; Y409-R411 PolarHBondContact O-N 2.78Å; Y409-L412 PolarHBondContact O-N 3.19Å; Y409-F413 WeakPolarHBondContact O-CB 3.42Å; Y409-F413 PolarHBondContact O-N 3.43Å |
| 410 | A | 89.1 | Confident | 90 | Very high | 12 Ų | 12 | 22.1 Ų | 22.1 | 10% | 0.099 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K246 K406 F413 D414 | K246-A410 HydrophobicContact CD-CB 4.35Å; K406-A410 WeakPolarHBondContact O-CB 3.19Å; K406-A410 PolarHBondContact O-N 2.74Å; A410-F413 PolarHBondContact O-N 2.94Å; A410-D414 PolarHBondContact O-N 3.18Å |
| 411 | R | 90.1 | Very high | 90.3 | Very high | 74 Ų | 74 | 23.4 Ų | 23.4 | 28% | 0.279 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 176.1 | -71.8 | -67.2 | -164.9 | 137 | -5.2 | 112.1 | H407 I408 Y409 D414 W415 L591 F592 | H407-R411 WeakPolarHBondContact O-CG 3.37Å; H407-R411 PolarHBondContact O-N 2.91Å; I408-R411 PolarHBondContact O-N 2.82Å; Y409-R411 PolarHBondContact O-N 2.78Å; R411-D414 PolarHBondContact O-N 3.47Å; R411-W415 WeakPolarHBondContact O-CB 3.36Å; R411-W415 PolarHBondContact O-N 2.84Å; R411-L591 HydrophobicContact CB-CB 4.27Å; R411-L591 HydrophobicContact CB-CD2 4.3Å; R411-L591 WeakPolarHBondContact CD-O 3.34Å; R411-L591 PolarHBondContact NH1-O 3.22Å; R411-L591 WeakPolarHBondContact O-CD2 3.13Å; R411-F592 HydrophobicContact CB-CE1 4.27Å; R411-F592 HydrophobicContact CG-CD1 4.12Å; R411-F592 HydrophobicContact CG-CE1 3.66Å; R411-F592 HydrophobicContact CG-CZ 4.38Å |
| 412 | L | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.4 | 179.7 | 61.7 | 0 | 0 | 0 | 111.6 | I325 I328 M329 I408 Y409 W415 I416 L591 | I325-L412 HydrophobicContact CG1-CD1 4.23Å; I325-L412 HydrophobicContact CG2-CD1 4.35Å; I325-L412 HydrophobicContact CG2-CD2 4.28Å; I328-L412 HydrophobicContact CB-CD2 3.96Å; I328-L412 HydrophobicContact CD1-CD1 4.27Å; I328-L412 HydrophobicContact CG2-CD2 3.78Å; M329-L412 HydrophobicContact CE-CD2 3.62Å; M329-L412 HydrophobicContact CE-CG 4.36Å; M329-L412 HydrophobicContact CG-CD2 4.02Å; M329-L412 HydrophobicContact SD-CD2 3.71Å; I408-L412 WeakPolarHBondContact O-CB 3.3Å; I408-L412 PolarHBondContact O-N 3.48Å; Y409-L412 PolarHBondContact O-N 3.19Å; L412-W415 PolarHBondContact O-N 3.27Å; L412-I416 HydrophobicContact CD1-CD1 4.36Å; L412-I416 HydrophobicContact CG-CD1 4.15Å; L412-I416 VanDerWaalsContact O-CG1 3.3Å; L412-I416 WeakPolarHBondContact O-CG1 3.39Å; L412-I416 PolarHBondContact O-N 3.27Å; L412-L591 HydrophobicContact CB-CD1 4.4Å; L412-L591 HydrophobicContact CD1-CD1 4.49Å |
| 413 | F | 93.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 1% | 0.013 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.2 | -50.9 | 174.1 | -180 | -83.5 | 0 | 0 | 0 | 111.4 | M203 I206 F220 T241 L244 Y409 A410 W415 I416 V417 | M203-F413 HydrophobicContact CE-CE1 4.36Å; M203-F413 HydrophobicContact CE-CE2 3.8Å; M203-F413 HydrophobicContact CE-CZ 3.56Å; I206-F413 HydrophobicContact CB-CD2 4.34Å; I206-F413 HydrophobicContact CD1-CD2 3.7Å; I206-F413 HydrophobicContact CD1-CE2 4.08Å; I206-F413 HydrophobicContact CD1-CG 4.42Å; I206-F413 HydrophobicContact CG1-CD2 3.72Å; I206-F413 HydrophobicContact CG1-CE2 3.84Å; F220-F413 HydrophobicContact CB-CZ 4.01Å; F220-F413 HydrophobicContact CD1-CE2 4.47Å; F220-F413 HydrophobicContact CD1-CZ 4.32Å; F220-F413 AromaticContact CD2-CZ 3.81Å; F220-F413 HydrophobicContact CD2-CZ 3.81Å; F220-F413 HydrophobicContact CE2-CZ 4.39Å; F220-F413 HydrophobicContact CG-CE2 4.34Å; F220-F413 AromaticContact CG-CZ 3.76Å; F220-F413 HydrophobicContact CG-CZ 3.76Å; T241-F413 HydrophobicContact CG2-CE1 3.83Å; T241-F413 HydrophobicContact CG2-CZ 3.95Å; L244-F413 HydrophobicContact CD1-CD2 4.01Å; L244-F413 HydrophobicContact CD1-CE1 4.48Å; L244-F413 HydrophobicContact CD1-CE2 3.76Å; L244-F413 HydrophobicContact CD1-CG 4.49Å; L244-F413 HydrophobicContact CD1-CZ 4.02Å; L244-F413 HydrophobicContact CD2-CB 4.03Å; L244-F413 HydrophobicContact CD2-CD1 3.92Å; L244-F413 HydrophobicContact CD2-CD2 4.03Å; L244-F413 HydrophobicContact CD2-CE1 4.37Å; L244-F413 HydrophobicContact CD2-CE2 4.48Å; L244-F413 HydrophobicContact CD2-CG 3.74Å; Y409-F413 WeakPolarHBondContact O-CB 3.42Å; Y409-F413 PolarHBondContact O-N 3.43Å; A410-F413 PolarHBondContact O-N 2.94Å; F413-W415 VanDerWaalsContact C-N 3.29Å; F413-W415 PolarHBondContact O-N 3.42Å; F413-I416 PolarHBondContact O-N 3.48Å; F413-I416 VanDerWaalsContact O-N 3.16Å; F413-V417 HydrophobicContact CD1-CG2 4.26Å; F413-V417 HydrophobicContact CE1-CG2 4.02Å; F413-V417 HydrophobicContact CZ-CG2 4.47Å; F413-V417 WeakPolarHBondContact O-CG2 3.35Å; F413-V417 PolarHBondContact O-N 3.01Å |
| 414 | D | 89.9 | Confident | 90.2 | Very high | 90 Ų | 90 | 27.1 Ų | 27.1 | 48% | 0.481 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -58.6 | -40.2 | 176.9 | -71 | -23.9 | 0 | 0 | 0 | 111.9 | A410 R411 V417 E418 | A410-D414 PolarHBondContact O-N 3.18Å; R411-D414 PolarHBondContact O-N 3.47Å; D414-V417 PolarHBondContact O-N 3.19Å; D414-E418 WeakPolarHBondContact O-CB 3.5Å; D414-E418 PolarHBondContact O-N 3.22Å |
| 415 | W | 91.4 | Very high | 89.9 | Confident | 38 Ų | 38 | 34.1 Ų | 34.1 | 14% | 0.144 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.5 | -37.5 | 177.2 | -177.4 | 104.2 | 0 | 0 | 0 | 112.8 | I325 R411 L412 F413 E418 H419 L587 L591 | I325-W415 HydrophobicContact CD1-CZ3 4.09Å; I325-W415 HydrophobicContact CG1-CZ3 4.2Å; R411-W415 WeakPolarHBondContact O-CB 3.36Å; R411-W415 PolarHBondContact O-N 2.84Å; L412-W415 PolarHBondContact O-N 3.27Å; F413-W415 VanDerWaalsContact C-N 3.29Å; F413-W415 PolarHBondContact O-N 3.42Å; W415-E418 PolarHBondContact O-N 3.4Å; W415-H419 AromaticContact CD2-CE1 3.67Å; W415-H419 AromaticContact CD2-ND1 3.38Å; W415-H419 AromaticContact CE2-CE1 3.14Å; W415-H419 AromaticContact CE2-ND1 3.35Å; W415-H419 AromaticContact CE3-ND1 3.61Å; W415-H419 AromaticContact CG-ND1 3.98Å; W415-H419 AromaticContact CH2-CE1 3.9Å; W415-H419 AromaticContact CH2-CG 3.99Å; W415-H419 AromaticContact CH2-ND1 3.74Å; W415-H419 AromaticContact CZ2-CE1 3.29Å; W415-H419 WeakPolarHBondContact CZ2-CE1 3.41Å; W415-H419 AromaticContact CZ2-ND1 3.56Å; W415-H419 AromaticContact CZ2-NE2 3.81Å; W415-H419 HydrophobicContact CZ3-CB 4.49Å; W415-H419 AromaticContact CZ3-ND1 3.77Å; W415-H419 AromaticContact NE1-CE1 3.41Å; W415-H419 PolarHBondContact NE1-CE1 3.41Å; W415-H419 AromaticContact NE1-ND1 3.92Å; W415-H419 PolarHBondContact O-N 3.24Å; W415-H419 PolarHBondContact O-ND1 2.98Å; W415-L587 HydrophobicContact CD2-CD1 4.06Å; W415-L587 HydrophobicContact CG-CD1 4.49Å; W415-L587 HydrophobicContact CH2-CD1 4.36Å; W415-L587 HydrophobicContact CZ2-CD1 3.53Å; W415-L591 HydrophobicContact CB-CD2 3.39Å; W415-L591 HydrophobicContact CG-CD2 3.65Å |
| 416 | I | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -46.3 | 174.9 | -68.6 | 164.7 | 0 | 0 | 0 | 109.6 | I202 I206 F312 I325 L412 F413 E418 H419 I420 | I202-I416 HydrophobicContact CG2-CG2 3.84Å; I206-I416 HydrophobicContact CD1-CB 4.01Å; I206-I416 HydrophobicContact CD1-CD1 3.83Å; I206-I416 HydrophobicContact CD1-CG2 3.74Å; I206-I416 HydrophobicContact CG2-CD1 4.36Å; F312-I416 HydrophobicContact CE1-CG2 4.08Å; I325-I416 HydrophobicContact CD1-CD1 4.32Å; I325-I416 HydrophobicContact CD1-CG1 4.12Å; I325-I416 HydrophobicContact CG1-CD1 4.49Å; I325-I416 HydrophobicContact CG1-CG1 4.46Å; I325-I416 HydrophobicContact CG2-CD1 4Å; L412-I416 HydrophobicContact CD1-CD1 4.36Å; L412-I416 HydrophobicContact CG-CD1 4.15Å; L412-I416 VanDerWaalsContact O-CG1 3.3Å; L412-I416 WeakPolarHBondContact O-CG1 3.39Å; L412-I416 PolarHBondContact O-N 3.27Å; F413-I416 PolarHBondContact O-N 3.48Å; F413-I416 VanDerWaalsContact O-N 3.16Å; I416-E418 VanDerWaalsContact C-N 3.29Å; I416-E418 PolarHBondContact O-N 3.26Å; I416-H419 PolarHBondContact O-N 3.4Å; I416-H419 VanDerWaalsContact O-N 3.08Å; I416-I420 HydrophobicContact CG2-CD1 3.83Å; I416-I420 HydrophobicContact CG2-CG1 4.32Å; I416-I420 WeakPolarHBondContact O-CG1 3.45Å; I416-I420 PolarHBondContact O-N 2.95Å |
| 417 | V | 91 | Very high | 88.3 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -40.2 | 175.9 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | M203 T241 F413 D414 H419 I420 N421 | M203-V417 HydrophobicContact CE-CG2 3.74Å; M203-V417 HydrophobicContact SD-CG2 3.94Å; T241-V417 HydrophobicContact CG2-CG1 4.13Å; T241-V417 HydrophobicContact CG2-CG2 3.67Å; F413-V417 HydrophobicContact CD1-CG2 4.26Å; F413-V417 HydrophobicContact CE1-CG2 4.02Å; F413-V417 HydrophobicContact CZ-CG2 4.47Å; F413-V417 WeakPolarHBondContact O-CG2 3.35Å; F413-V417 PolarHBondContact O-N 3.01Å; D414-V417 PolarHBondContact O-N 3.19Å; V417-H419 VanDerWaalsContact C-N 3.34Å; V417-H419 PolarHBondContact O-N 2.9Å; V417-I420 PolarHBondContact O-N 2.74Å; V417-N421 WeakPolarHBondContact O-CB 3.48Å; V417-N421 VanDerWaalsContact O-CG 3.28Å; V417-N421 PolarHBondContact O-N 2.82Å; V417-N421 PolarHBondContact O-ND2 2.81Å |
| 418 | E | 90.3 | Very high | 87.8 | Confident | 66 Ų | 66 | 42.7 Ų | 42.7 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.7 | -37.1 | 174.6 | -169.7 | -176.5 | 146.3 | 0 | 0 | 112.7 | D414 W415 I416 N421 K422 K595 | D414-E418 WeakPolarHBondContact O-CB 3.5Å; D414-E418 PolarHBondContact O-N 3.22Å; W415-E418 PolarHBondContact O-N 3.4Å; I416-E418 VanDerWaalsContact C-N 3.29Å; I416-E418 PolarHBondContact O-N 3.26Å; E418-N421 PolarHBondContact O-N 2.82Å; E418-K422 VanDerWaalsContact O-CG 3.32Å; E418-K422 WeakPolarHBondContact O-CG 3.41Å; E418-K422 PolarHBondContact O-N 3.13Å; E418-K422 VanDerWaalsContact OE1-CE 3.27Å; E418-K422 WeakPolarHBondContact OE1-CE 3.48Å; E418-K422 IonicContact OE1-NZ 2.86Å; E418-K422 PolarHBondContact OE1-NZ 3.4Å; E418-K595 IonicContact OE1-NZ 3.14Å; E418-K595 PolarHBondContact OE1-NZ 3.46Å; E418-K595 IonicContact OE2-NZ 2.88Å; E418-K595 PolarHBondContact OE2-NZ 2.87Å |
| 419 | H | 89.5 | Confident | 87.2 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 22% | 0.218 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.4 | -36.1 | 177.3 | -76.1 | 81.9 | 0 | 0 | 0 | 113.2 | I317 W415 I416 V417 N421 K422 A423 | I317-H419 HydrophobicContact CD1-CB 3.94Å; I317-H419 HydrophobicContact CG1-CB 4.26Å; W415-H419 AromaticContact CD2-CE1 3.67Å; W415-H419 AromaticContact CD2-ND1 3.38Å; W415-H419 AromaticContact CE2-CE1 3.14Å; W415-H419 AromaticContact CE2-ND1 3.35Å; W415-H419 AromaticContact CE3-ND1 3.61Å; W415-H419 AromaticContact CG-ND1 3.98Å; W415-H419 AromaticContact CH2-CE1 3.9Å; W415-H419 AromaticContact CH2-CG 3.99Å; W415-H419 AromaticContact CH2-ND1 3.74Å; W415-H419 AromaticContact CZ2-CE1 3.29Å; W415-H419 WeakPolarHBondContact CZ2-CE1 3.41Å; W415-H419 AromaticContact CZ2-ND1 3.56Å; W415-H419 AromaticContact CZ2-NE2 3.81Å; W415-H419 HydrophobicContact CZ3-CB 4.49Å; W415-H419 AromaticContact CZ3-ND1 3.77Å; W415-H419 AromaticContact NE1-CE1 3.41Å; W415-H419 PolarHBondContact NE1-CE1 3.41Å; W415-H419 AromaticContact NE1-ND1 3.92Å; W415-H419 PolarHBondContact O-N 3.24Å; W415-H419 PolarHBondContact O-ND1 2.98Å; I416-H419 PolarHBondContact O-N 3.4Å; I416-H419 VanDerWaalsContact O-N 3.08Å; V417-H419 VanDerWaalsContact C-N 3.34Å; V417-H419 PolarHBondContact O-N 2.9Å; H419-N421 VanDerWaalsContact C-N 3.31Å; H419-N421 PolarHBondContact O-N 3.25Å; H419-K422 PolarHBondContact CE1-NZ 3.36Å; H419-K422 PolarHBondContact NE2-NZ 2.74Å; H419-K422 PolarHBondContact O-N 3.01Å; H419-A423 PolarHBondContact O-N 2.76Å |
| 420 | I | 90.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 167.5 | -68.4 | 171.6 | 0 | 0 | 0 | 109.4 | I202 M203 M239 L315 I416 V417 K422 A423 L424 | I202-I420 HydrophobicContact CB-CD1 4.47Å; I202-I420 HydrophobicContact CD1-CD1 4.5Å; I202-I420 HydrophobicContact CG2-CD1 4.04Å; M203-I420 HydrophobicContact CG-CD1 4.13Å; M203-I420 HydrophobicContact SD-CD1 3.64Å; M239-I420 HydrophobicContact CE-CG2 4.21Å; L315-I420 HydrophobicContact CD1-CB 4.37Å; L315-I420 HydrophobicContact CD1-CG1 3.84Å; L315-I420 HydrophobicContact CD1-CG2 4.12Å; I416-I420 HydrophobicContact CG2-CD1 3.83Å; I416-I420 HydrophobicContact CG2-CG1 4.32Å; I416-I420 WeakPolarHBondContact O-CG1 3.45Å; I416-I420 PolarHBondContact O-N 2.95Å; V417-I420 PolarHBondContact O-N 2.74Å; I420-K422 PolarHBondContact O-N 3.02Å; I420-A423 WeakPolarHBondContact O-CB 3.34Å; I420-A423 PolarHBondContact O-N 3.33Å; I420-L424 HydrophobicContact CG2-CD1 3.64Å; I420-L424 HydrophobicContact CG2-CG 4.27Å; I420-L424 VanDerWaalsContact O-CG 3.31Å; I420-L424 WeakPolarHBondContact O-CG 3.44Å; I420-L424 PolarHBondContact O-N 3.1Å |
| 421 | N | 90.4 | Very high | 86.7 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -39.6 | 177.1 | -74.8 | -23.1 | 0 | 0 | 0 | 113 | M239 V417 E418 H419 A423 L424 H425 | M239-N421 WeakPolarHBondContact CB-OD1 3.42Å; M239-N421 PolarHBondContact N-OD1 2.89Å; M239-N421 PolarHBondContact O-ND2 3.36Å; M239-N421 PolarHBondContact O-OD1 3.5Å; V417-N421 WeakPolarHBondContact O-CB 3.48Å; V417-N421 VanDerWaalsContact O-CG 3.28Å; V417-N421 PolarHBondContact O-N 2.82Å; V417-N421 PolarHBondContact O-ND2 2.81Å; E418-N421 PolarHBondContact O-N 2.82Å; H419-N421 VanDerWaalsContact C-N 3.31Å; H419-N421 PolarHBondContact O-N 3.25Å; N421-A423 VanDerWaalsContact C-N 3.25Å; N421-A423 PolarHBondContact O-N 2.98Å; N421-L424 PolarHBondContact O-N 3.43Å; N421-H425 VanDerWaalsContact O-CB 3.23Å; N421-H425 WeakPolarHBondContact O-CB 3.37Å; N421-H425 PolarHBondContact O-N 3.08Å |
| 422 | K | 88.8 | Confident | 86.8 | Confident | 111 Ų | 111 | 56.1 Ų | 56.1 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.3 | -31.2 | 173.1 | -72.9 | 163.1 | -173.3 | 160.5 | 0 | 112.8 | E418 H419 I420 | E418-K422 VanDerWaalsContact O-CG 3.32Å; E418-K422 WeakPolarHBondContact O-CG 3.41Å; E418-K422 PolarHBondContact O-N 3.13Å; E418-K422 VanDerWaalsContact OE1-CE 3.27Å; E418-K422 WeakPolarHBondContact OE1-CE 3.48Å; E418-K422 IonicContact OE1-NZ 2.86Å; E418-K422 PolarHBondContact OE1-NZ 3.4Å; H419-K422 PolarHBondContact CE1-NZ 3.36Å; H419-K422 PolarHBondContact NE2-NZ 2.74Å; H419-K422 PolarHBondContact O-N 3.01Å; I420-K422 PolarHBondContact O-N 3.02Å |
| 423 | A | 86.6 | Confident | 86.8 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -82.5 | -23.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K195 L315 H419 I420 N421 | K195-A423 PolarHBondContact NZ-O 3.13Å; L315-A423 HydrophobicContact CB-CB 4.13Å; L315-A423 HydrophobicContact CD2-CB 4.25Å; L315-A423 WeakPolarHBondContact O-CB 3.41Å; H419-A423 PolarHBondContact O-N 2.76Å; I420-A423 WeakPolarHBondContact O-CB 3.34Å; I420-A423 PolarHBondContact O-N 3.33Å; N421-A423 VanDerWaalsContact C-N 3.25Å; N421-A423 PolarHBondContact O-N 2.98Å |
| 424 | L | 84.4 | Confident | 86.8 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -94.1 | -13.1 | 176.9 | -65.1 | 177 | 0 | 0 | 0 | 113.9 | K195 V196 G236 A237 L315 I420 N421 | K195-L424 HydrophobicContact CB-CD2 3.67Å; V196-L424 HydrophobicContact CG2-CD2 3.77Å; G236-L424 CarbonylContact C-O 3.49Å; G236-L424 VanDerWaalsContact CA-O 3.23Å; G236-L424 WeakPolarHBondContact CA-O 3.44Å; A237-L424 HydrophobicContact CB-CB 4.35Å; A237-L424 HydrophobicContact CB-CD1 4.28Å; A237-L424 PolarHBondContact N-O 3.06Å; A237-L424 CarbonylContact O-C 3.37Å; A237-L424 VanDerWaalsContact O-CB 3.28Å; A237-L424 WeakPolarHBondContact O-CB 3.17Å; L315-L424 HydrophobicContact CD2-CD2 4.4Å; I420-L424 HydrophobicContact CG2-CD1 3.64Å; I420-L424 HydrophobicContact CG2-CG 4.27Å; I420-L424 VanDerWaalsContact O-CG 3.31Å; I420-L424 WeakPolarHBondContact O-CG 3.44Å; I420-L424 PolarHBondContact O-N 3.1Å; N421-L424 PolarHBondContact O-N 3.43Å |
| 425 | H | 83.4 | Confident | 87 | Confident | 148 Ų | 148 | 52.9 Ų | 52.9 | 69% | 0.685 | 27% | 0.268 | S | S | * | . | trans | -83.5 | 143.4 | 178.4 | -170.1 | 71.9 | 0 | 0 | 0 | 112.2 | N421 | N421-H425 VanDerWaalsContact O-CB 3.23Å; N421-H425 WeakPolarHBondContact O-CB 3.37Å; N421-H425 PolarHBondContact O-N 3.08Å | ||
| 426 | T | 74.5 | Confident | 87.1 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | trans | -131.9 | 147.5 | -176.2 | -60.5 | 0 | 0 | 0 | 0 | 109.6 | I235 T428 | I235-T426 WeakPolarHBondContact O-CB 3.38Å; I235-T426 PolarHBondContact O-OG1 3.26Å; T426-T428 PolarHBondContact O-N 2.7Å; T426-T428 VanDerWaalsContact O-N 3.1Å | ||
| 427 | S | 72.1 | Confident | 87.1 | Confident | 124 Ų | 124 | 51.2 Ų | 51.2 | 87% | 0.867 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -64.5 | -12.6 | -177.7 | 52.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 428 | T | 76.9 | Confident | 87 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.8 | 126.4 | 178.4 | -55 | 0 | 0 | 0 | 0 | 110.6 | I235 T426 Q430 | I235-T428 HydrophobicContact CD1-CG2 4.47Å; I235-T428 WeakPolarHBondContact CD1-O 3.34Å; I235-T428 HydrophobicContact CG2-CG2 3.97Å; T426-T428 PolarHBondContact O-N 2.7Å; T426-T428 VanDerWaalsContact O-N 3.1Å; T428-Q430 PolarHBondContact O-N 3.29Å |
| 429 | K | 79.2 | Confident | 86.6 | Confident | 192 Ų | 192 | 48.1 Ų | 48.1 | 84% | 0.835 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -64.2 | 122.2 | 176.5 | -174.3 | 178.7 | 177 | -177 | 0 | 110.9 | ||
| 430 | Q | 84.9 | Confident | 85.8 | Confident | 88 Ų | 88 | 46.3 Ų | 46.3 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -60.2 | 140.3 | 174.3 | -172 | -177.6 | -6.3 | 0 | 0 | 112.7 | I235 T428 S432 | I235-Q430 HydrophobicContact CD1-CB 3.96Å; I235-Q430 HydrophobicContact CD1-CG 4.4Å; T428-Q430 PolarHBondContact O-N 3.29Å; Q430-S432 VanDerWaalsContact CG-O 3.31Å; Q430-S432 WeakPolarHBondContact CG-O 3.44Å; Q430-S432 PolarHBondContact NE2-O 2.74Å |
| 431 | H | 88.3 | Confident | 85.2 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 39% | 0.389 | 24% | 0.241 | S | C | . | . | trans | -98.9 | -50.8 | 173.7 | -170.7 | -103.1 | 0 | 0 | 0 | 111.2 | F228 R230 | F228-H431 WeakPolarHBondContact O-CB 3.42Å; F228-H431 PolarHBondContact O-N 3.16Å; R230-H431 HydrophobicContact CB-CB 4.43Å | ||
| 432 | S | 91.3 | Very high | 84.8 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 174.8 | -178.3 | 52.4 | 0 | 0 | 0 | 0 | 112 | M150 N156 F228 Q430 | M150-S432 PolarHBondContact SD-OG 2.73Å; N156-S432 WeakPolarHBondContact OD1-CA 3.19Å; N156-S432 WeakPolarHBondContact OD1-CB 3.46Å; F228-S432 PolarHBondContact N-O 3.03Å; F228-S432 PolarHBondContact O-N 2.92Å; Q430-S432 VanDerWaalsContact CG-O 3.31Å; Q430-S432 WeakPolarHBondContact CG-O 3.44Å; Q430-S432 PolarHBondContact NE2-O 2.74Å |
| 433 | F | 93.3 | Very high | 84.3 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 158.4 | 166.7 | 58.5 | -82.9 | 0 | 0 | 0 | 114.2 | N156 Q157 Q225 I226 T644 | N156-F433 WeakPolarHBondContact CA-O 3.43Å; N156-F433 HydrophobicContact CB-CD1 3.98Å; N156-F433 HydrophobicContact CB-CD2 4.26Å; N156-F433 HydrophobicContact CB-CE1 3.76Å; N156-F433 HydrophobicContact CB-CE2 4.05Å; N156-F433 HydrophobicContact CB-CG 4.23Å; N156-F433 HydrophobicContact CB-CZ 3.79Å; N156-F433 VanDerWaalsContact CG-CD1 3.5Å; N156-F433 WeakPolarHBondContact ND2-CE1 3.36Å; N156-F433 WeakPolarHBondContact OD1-CD1 3.41Å; N156-F433 PolarHBondContact OD1-N 3.11Å; Q157-F433 PolarHBondContact N-O 2.89Å; Q225-F433 HydrophobicContact CB-CB 4.46Å; Q225-F433 HydrophobicContact CB-CD2 4.33Å; Q225-F433 HydrophobicContact CB-CG 4.49Å; Q225-F433 HydrophobicContact CG-CD2 4.36Å; I226-F433 WeakPolarHBondContact O-CA 3.33Å; I226-F433 WeakPolarHBondContact O-CB 3.41Å; F433-T644 HydrophobicContact CE2-CG2 3.71Å; F433-T644 HydrophobicContact CZ-CG2 3.95Å |
| 434 | I | 94.4 | Very high | 84 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.2 | 156.5 | -55.2 | 176.2 | 0 | 0 | 0 | 106.8 | A146 Y147 M150 Q157 I159 F180 I226 F228 | A146-I434 HydrophobicContact CB-CD1 4.33Å; A146-I434 HydrophobicContact CB-CG2 4.5Å; Y147-I434 HydrophobicContact CD2-CD1 4.38Å; M150-I434 HydrophobicContact CE-CD1 4Å; M150-I434 HydrophobicContact CE-CG1 4.21Å; M150-I434 HydrophobicContact SD-CD1 4.26Å; M150-I434 HydrophobicContact SD-CG1 3.81Å; Q157-I434 HydrophobicContact CB-CB 4.44Å; Q157-I434 HydrophobicContact CB-CG1 4.07Å; Q157-I434 HydrophobicContact CB-CG2 4.16Å; Q157-I434 HydrophobicContact CG-CG1 4.22Å; Q157-I434 WeakPolarHBondContact O-CA 3.5Å; I159-I434 HydrophobicContact CG1-CG2 4.38Å; F180-I434 HydrophobicContact CD1-CD1 3.9Å; F180-I434 HydrophobicContact CE1-CD1 3.31Å; F180-I434 HydrophobicContact CE1-CG2 4.46Å; F180-I434 HydrophobicContact CE2-CB 4.49Å; F180-I434 HydrophobicContact CE2-CD1 4.49Å; F180-I434 HydrophobicContact CE2-CG2 3.9Å; F180-I434 HydrophobicContact CZ-CB 4.32Å; F180-I434 HydrophobicContact CZ-CD1 3.67Å; F180-I434 HydrophobicContact CZ-CG2 3.69Å; I226-I434 PolarHBondContact N-O 3.01Å; I226-I434 PolarHBondContact O-N 3.46Å; F228-I434 HydrophobicContact CD2-CG1 4.43Å; F228-I434 HydrophobicContact CE2-CB 3.96Å; F228-I434 HydrophobicContact CE2-CD1 3.92Å; F228-I434 HydrophobicContact CE2-CG1 3.68Å; F228-I434 HydrophobicContact CZ-CD1 4.08Å; F228-I434 HydrophobicContact CZ-CG1 4.34Å |
| 435 | G | 93.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 111.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q157 S158 I159 I224 | Q157-G435 PolarHBondContact O-N 3.15Å; S158-G435 CarbonylContact C-O 3.46Å; S158-G435 WeakPolarHBondContact CA-O 2.98Å; S158-G435 WeakPolarHBondContact CB-O 3.48Å; I159-G435 PolarHBondContact N-O 3.41Å; I224-G435 CarbonylContact O-C 3.43Å; I224-G435 WeakPolarHBondContact O-CA 3.38Å |
| 436 | V | 93.4 | Very high | 83.6 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 118.5 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | I159 V161 A173 M177 F180 Y223 I224 | I159-V436 WeakPolarHBondContact O-CA 3.35Å; V161-V436 HydrophobicContact CG2-CG1 4.49Å; A173-V436 HydrophobicContact CB-CG1 3.79Å; M177-V436 HydrophobicContact CG-CG2 4.26Å; F180-V436 HydrophobicContact CE2-CG2 4.39Å; Y223-V436 CarbonylContact C-O 3.59Å; Y223-V436 WeakPolarHBondContact CA-O 3.46Å; I224-V436 PolarHBondContact N-O 3.1Å; I224-V436 PolarHBondContact O-N 3.17Å |
| 437 | L | 91.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 118.3 | 175.1 | -178 | 62.9 | 0 | 0 | 0 | 109.9 | I159 I160 V161 Y223 I439 L462 L637 L641 | I159-L437 PolarHBondContact O-N 3.39Å; I160-L437 HydrophobicContact CG1-CB 4.43Å; I160-L437 HydrophobicContact CG1-CD2 4.34Å; I160-L437 HydrophobicContact CG2-CD2 4.34Å; V161-L437 WeakPolarHBondContact CB-O 3.23Å; V161-L437 PolarHBondContact N-O 2.94Å; Y223-L437 HydrophobicContact CD2-CB 3.82Å; Y223-L437 HydrophobicContact CD2-CD1 4.12Å; Y223-L437 HydrophobicContact CE2-CB 4.35Å; Y223-L437 HydrophobicContact CG-CD1 4.45Å; L437-I439 HydrophobicContact CD1-CB 4.24Å; L437-I439 HydrophobicContact CD2-CG2 4.13Å; L437-I439 HydrophobicContact CG-CB 4.19Å; L437-I439 HydrophobicContact CG-CG2 4.07Å; L437-L462 HydrophobicContact CD2-CD2 4.12Å; L437-L637 HydrophobicContact CD1-CD1 4.46Å; L437-L637 HydrophobicContact CD1-CD2 4.48Å; L437-L637 HydrophobicContact CD2-CD2 4.5Å; L437-L641 HydrophobicContact CD2-CD1 4.03Å |
| 438 | D | 89.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.032 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 109 | 167.3 | -177.7 | 10.4 | 0 | 0 | 0 | 107.5 | K169 T170 A173 K222 | K169-D438 VanDerWaalsContact CB-OD1 3.25Å; K169-D438 WeakPolarHBondContact CB-OD1 3.38Å; T170-D438 VanDerWaalsContact CA-OD2 3.3Å; T170-D438 WeakPolarHBondContact CA-OD2 3.28Å; T170-D438 VanDerWaalsContact CB-OD2 3.28Å; T170-D438 WeakPolarHBondContact CB-OD2 3.14Å; T170-D438 PolarHBondContact OG1-OD2 2.8Å; A173-D438 HydrophobicContact CB-CB 4.39Å; K222-D438 PolarHBondContact N-O 3.38Å; K222-D438 PolarHBondContact O-N 2.88Å |
| 439 | I | 81.7 | Confident | 85 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | trans | -138.5 | 152.7 | -176.2 | -164.1 | 170 | 0 | 0 | 0 | 110.5 | K169 L243 L437 G441 L462 | K169-I439 WeakPolarHBondContact CD-O 3.31Å; K169-I439 WeakPolarHBondContact CE-O 3.24Å; L243-I439 HydrophobicContact CD1-CD1 4.47Å; L437-I439 HydrophobicContact CD1-CB 4.24Å; L437-I439 HydrophobicContact CD2-CG2 4.13Å; L437-I439 HydrophobicContact CG-CB 4.19Å; L437-I439 HydrophobicContact CG-CG2 4.07Å; I439-G441 PolarHBondContact O-N 2.84Å; I439-L462 HydrophobicContact CD1-CD1 4.07Å; I439-L462 HydrophobicContact CG2-CD1 3.83Å | ||
| 440 | Y | 74.1 | Confident | 85.3 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | trans | -56.1 | 134.3 | 173.4 | -7.7 | -74 | 0 | 0 | 0 | 110.7 | S218 R219 F220 G221 L243 I455 N459 | S218-Y440 WeakPolarHBondContact O-CD1 3.49Å; S218-Y440 WeakPolarHBondContact O-CE1 3.19Å; R219-Y440 PolarHBondContact O-OH 3.44Å; F220-Y440 VanDerWaalsContact C-CE1 3.46Å; F220-Y440 VanDerWaalsContact C-OH 3.26Å; F220-Y440 WeakPolarHBondContact CA-OH 3.27Å; F220-Y440 PolarHBondContact N-OH 3.31Å; G221-Y440 PolarHBondContact N-OH 2.59Å; L243-Y440 HydrophobicContact CB-CE2 3.9Å; L243-Y440 WeakPolarHBondContact CB-OH 3.21Å; L243-Y440 HydrophobicContact CD1-CE2 3.97Å; L243-Y440 HydrophobicContact CG-CE2 4.5Å; L243-Y440 PolarHBondContact O-OH 2.83Å; Y440-I455 HydrophobicContact CD2-CB 4.3Å; Y440-I455 HydrophobicContact CD2-CD1 4.08Å; Y440-I455 HydrophobicContact CD2-CG1 3.65Å; Y440-I455 HydrophobicContact CD2-CG2 3.96Å; Y440-I455 HydrophobicContact CE2-CD1 4.34Å; Y440-I455 HydrophobicContact CE2-CG1 3.87Å; Y440-I455 HydrophobicContact CG-CD1 4.46Å; Y440-I455 HydrophobicContact CG-CG1 4.45Å; Y440-I455 HydrophobicContact CG-CG2 4.4Å; Y440-N459 PolarHBondContact O-ND2 3Å; Y440-N459 PolarHBondContact O-OD1 3.36Å | ||
| 441 | G | 76.6 | Confident | 85.1 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 6% | 0.062 | 15% | 0.149 | C | C | . | . | trans | -68 | -174.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G163 I439 I455 N459 | G163-G441 WeakPolarHBondContact O-CA 3.25Å; G163-G441 PolarHBondContact O-N 3.05Å; I439-G441 PolarHBondContact O-N 2.84Å; G441-I455 WeakPolarHBondContact O-CG2 3.31Å; G441-N459 VanDerWaalsContact C-ND2 3.31Å; G441-N459 WeakPolarHBondContact CA-OD1 3.23Å; G441-N459 PolarHBondContact O-ND2 3.3Å | ||
| 442 | F | 81.9 | Confident | 84.9 | Confident | 10 Ų | 10 | 26 Ų | 26 | 4% | 0.044 | 14% | 0.135 | C | C | . | . | trans | -57.2 | 133.1 | 173.4 | -165.2 | -101.3 | 0 | 0 | 0 | 111.2 | T444 N456 N459 H552 F553 A554 V557 A674 | F442-T444 WeakPolarHBondContact CE1-OG1 3.42Å; F442-N456 WeakPolarHBondContact CA-OD1 3.25Å; F442-N456 HydrophobicContact CD2-CB 4Å; F442-N456 VanDerWaalsContact CD2-OD1 3.3Å; F442-N456 WeakPolarHBondContact CD2-OD1 3.24Å; F442-N456 HydrophobicContact CE2-CB 3.78Å; F442-N459 PolarHBondContact N-OD1 2.98Å; F442-H552 HydrophobicContact CE2-CB 3.54Å; F442-H552 AromaticContact CE2-CD2 3.87Å; F442-H552 AromaticContact CE2-CG 3.61Å; F442-H552 HydrophobicContact CZ-CB 3.65Å; F442-H552 AromaticContact CZ-CD2 3.81Å; F442-H552 AromaticContact CZ-CG 3.85Å; F442-F553 HydrophobicContact CD2-CE1 4.39Å; F442-A554 HydrophobicContact CD1-CB 3.76Å; F442-A554 HydrophobicContact CD2-CB 4.02Å; F442-A554 HydrophobicContact CE1-CB 3.7Å; F442-A554 HydrophobicContact CE2-CB 3.98Å; F442-A554 HydrophobicContact CG-CB 3.91Å; F442-A554 HydrophobicContact CZ-CB 3.82Å; F442-V557 HydrophobicContact CE1-CG2 3.75Å; F442-V557 HydrophobicContact CZ-CG2 3.5Å; F442-A674 HydrophobicContact CB-CB 4.3Å; F442-A674 HydrophobicContact CD1-CB 4.48Å | ||
| 443 | E | 78.8 | Confident | 84.8 | Confident | 15 Ų | 15 | 25.7 Ų | 25.7 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | trans | -117.5 | 122.2 | 178.7 | -74.3 | -168.1 | 171.5 | 0 | 0 | 111.2 | R219 F445 Q452 I455 N456 | R219-E443 IonicContact CZ-OE1 3.55Å; R219-E443 IonicContact CZ-OE2 2.78Å; R219-E443 IonicContact NH1-OE1 3.61Å; R219-E443 PolarHBondContact NH1-OE1 3.48Å; R219-E443 IonicContact NH1-OE2 3.36Å; R219-E443 PolarHBondContact NH1-OE2 3.24Å; R219-E443 IonicContact NH2-OE1 3.79Å; R219-E443 IonicContact NH2-OE2 3.84Å; R219-E443 PolarHBondContact NH2-OE2 2.87Å; E443-F445 HydrophobicContact CB-CE2 4.21Å; E443-F445 HydrophobicContact CB-CZ 4.37Å; E443-F445 HydrophobicContact CG-CZ 4.4Å; E443-F445 WeakPolarHBondContact OE2-CE2 3.47Å; E443-Q452 HydrophobicContact CB-CG 4.32Å; E443-I455 HydrophobicContact CB-CG2 4.22Å; E443-I455 HydrophobicContact CG-CD1 4.49Å; E443-I455 HydrophobicContact CG-CG2 4.12Å; E443-I455 VanDerWaalsContact OE2-CD1 3.27Å; E443-I455 WeakPolarHBondContact OE2-CD1 3.47Å; E443-N456 PolarHBondContact N-OD1 3.18Å; E443-N456 PolarHBondContact O-ND2 2.97Å; E443-N456 PolarHBondContact O-OD1 3.02Å | ||
| 444 | T | 80.6 | Confident | 84.5 | Confident | 42 Ų | 42 | 25.2 Ų | 25.2 | 26% | 0.258 | 13% | 0.132 | S | C | . | . | trans | -126.3 | 125.7 | 167.6 | -48.3 | 0 | 0 | 0 | 0 | 109.9 | R213 F442 V557 | R213-T444 PolarHBondContact NH1-O 2.76Å; R213-T444 PolarHBondContact NH2-O 2.87Å; F442-T444 WeakPolarHBondContact CE1-OG1 3.42Å; T444-V557 HydrophobicContact CG2-CG1 4.43Å; T444-V557 HydrophobicContact CG2-CG2 4.26Å | ||
| 445 | F | 79 | Confident | 84.1 | Confident | 48 Ų | 48 | 25.8 Ų | 25.8 | 21% | 0.211 | 14% | 0.135 | C | C | . | . | trans | -119.2 | 176.2 | 172.1 | -56 | -59.2 | 0 | 0 | 0 | 110.1 | E443 V447 N448 Q452 | E443-F445 HydrophobicContact CB-CE2 4.21Å; E443-F445 HydrophobicContact CB-CZ 4.37Å; E443-F445 HydrophobicContact CG-CZ 4.4Å; E443-F445 WeakPolarHBondContact OE2-CE2 3.47Å; F445-V447 VanDerWaalsContact C-N 3.31Å; F445-N448 PolarHBondContact N-OD1 3.42Å; F445-N448 PolarHBondContact O-ND2 2.8Å; F445-N448 PolarHBondContact O-OD1 2.82Å; F445-Q452 HydrophobicContact CD2-CG 3.64Å; F445-Q452 HydrophobicContact CE2-CG 3.82Å | ||
| 446 | E | 79.7 | Confident | 83.9 | Confident | 197 Ų | 197 | 25.8 Ų | 25.8 | 92% | 0.921 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -66.5 | -35.2 | 175.1 | -57.9 | -170.6 | 166.7 | 0 | 0 | 111.9 | ||
| 447 | V | 81.3 | Confident | 83.7 | Confident | 102 Ų | 102 | 25.6 Ų | 25.6 | 62% | 0.618 | 13% | 0.134 | S | C | * | . | S | Bend | trans | -120.8 | 110.8 | 172.6 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | F445 Q560 | F445-V447 VanDerWaalsContact C-N 3.31Å; V447-Q560 HydrophobicContact CG1-CG 4.07Å |
| 448 | N | 86.3 | Confident | 83.5 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.027 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -103.3 | 135 | 177 | -50.6 | -81.4 | 0 | 0 | 0 | 109.9 | F445 Q452 V557 E558 Y559 Q560 | F445-N448 PolarHBondContact N-OD1 3.42Å; F445-N448 PolarHBondContact O-ND2 2.8Å; F445-N448 PolarHBondContact O-OD1 2.82Å; N448-Q452 HydrophobicContact CB-CB 4.08Å; N448-Q452 HydrophobicContact CB-CG 4.35Å; N448-V557 HydrophobicContact CB-CG1 3.97Å; N448-E558 WeakPolarHBondContact CB-O 3.23Å; N448-E558 PolarHBondContact ND2-O 3.16Å; N448-Y559 HydrophobicContact CB-CD1 3.58Å; N448-Y559 HydrophobicContact CB-CE1 3.96Å; N448-Y559 HydrophobicContact CB-CG 4.42Å; N448-Y559 WeakPolarHBondContact O-CA 3.38Å; N448-Q560 PolarHBondContact O-N 3.03Å |
| 449 | S | 86.4 | Confident | 83.4 | Confident | 16 Ų | 16 | 25.7 Ų | 25.7 | 11% | 0.112 | 13% | 0.134 | C | C | . | . | trans | -122.4 | -164.4 | -179.6 | -162.6 | 0 | 0 | 0 | 0 | 111 | E451 Q452 F453 K567 | S449-E451 WeakPolarHBondContact CB-OE2 3.41Å; S449-E451 PolarHBondContact O-N 2.81Å; S449-Q452 PolarHBondContact O-N 3.04Å; S449-F453 PolarHBondContact O-N 3.15Å; S449-F453 VanDerWaalsContact O-N 3.11Å; S449-K567 PolarHBondContact OG-NZ 3.28Å | ||
| 450 | F | 84.5 | Confident | 83.8 | Confident | 10 Ų | 10 | 25.6 Ų | 25.6 | 4% | 0.044 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.4 | -34.7 | -177.4 | -179.7 | -110.7 | 0 | 0 | 0 | 112.8 | F453 C454 L510 F564 K567 N568 V626 | F450-F453 HydrophobicContact CD2-CD1 4.33Å; F450-F453 PolarHBondContact O-N 2.95Å; F450-C454 PolarHBondContact O-N 3.42Å; F450-C454 PolarHBondContact O-SG 3.46Å; F450-L510 HydrophobicContact CD2-CD2 4.12Å; F450-L510 HydrophobicContact CE2-CD2 3.74Å; F450-F564 VanDerWaalsContact CA-CZ 3.5Å; F450-F564 HydrophobicContact CB-CD1 4.07Å; F450-F564 HydrophobicContact CB-CD2 4.24Å; F450-F564 HydrophobicContact CB-CE1 4.04Å; F450-F564 HydrophobicContact CB-CE2 4.2Å; F450-F564 HydrophobicContact CB-CG 4.18Å; F450-F564 HydrophobicContact CB-CZ 4.12Å; F450-F564 AromaticContact CD2-CD1 3.65Å; F450-F564 HydrophobicContact CD2-CD1 3.65Å; F450-F564 AromaticContact CD2-CE1 3.76Å; F450-F564 HydrophobicContact CD2-CE1 3.76Å; F450-F564 HydrophobicContact CD2-CG 4.43Å; F450-F564 HydrophobicContact CG-CD1 4.32Å; F450-F564 HydrophobicContact CG-CE1 4.41Å; F450-F564 VanDerWaalsContact N-CE2 3.3Å; F450-K567 HydrophobicContact CB-CB 4.23Å; F450-K567 HydrophobicContact CB-CD 3.95Å; F450-K567 HydrophobicContact CD1-CB 3.91Å; F450-K567 HydrophobicContact CG-CB 4.26Å; F450-N568 HydrophobicContact CE2-CB 4.13Å; F450-N568 HydrophobicContact CZ-CB 4.03Å; F450-V626 HydrophobicContact CE1-CB 3.93Å; F450-V626 HydrophobicContact CE1-CG1 3.81Å; F450-V626 HydrophobicContact CZ-CB 4.12Å; F450-V626 HydrophobicContact CZ-CG1 4.26Å |
| 451 | E | 80.3 | Confident | 84.5 | Confident | 27 Ų | 27 | 26.1 Ų | 26.1 | 13% | 0.126 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -51.6 | 177.9 | -64.4 | 84.1 | 167.1 | 0 | 0 | 111.7 | E245 S247 S449 F453 C454 I455 K567 | E245-E451 HydrophobicContact CG-CG 4.35Å; S247-E451 VanDerWaalsContact CB-OE1 3.3Å; S247-E451 WeakPolarHBondContact CB-OE1 3.42Å; S247-E451 PolarHBondContact OG-OE1 3.37Å; S449-E451 WeakPolarHBondContact CB-OE2 3.41Å; S449-E451 PolarHBondContact O-N 2.81Å; E451-F453 VanDerWaalsContact C-N 3.35Å; E451-F453 PolarHBondContact O-N 2.71Å; E451-C454 WeakPolarHBondContact O-CB 3.16Å; E451-C454 PolarHBondContact O-N 3.44Å; E451-C454 VanDerWaalsContact O-N 3.16Å; E451-I455 WeakPolarHBondContact O-CG1 3.47Å; E451-I455 PolarHBondContact O-N 3.36Å; E451-K567 VanDerWaalsContact OE1-CE 3.31Å; E451-K567 WeakPolarHBondContact OE1-CE 3.44Å; E451-K567 IonicContact OE1-NZ 3.92Å; E451-K567 PolarHBondContact OE1-NZ 3.16Å; E451-K567 IonicContact OE2-NZ 2.64Å; E451-K567 PolarHBondContact OE2-NZ 2.55Å |
| 452 | Q | 85.3 | Confident | 85 | Confident | 17 Ų | 17 | 26.3 Ų | 26.3 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.8 | -39.2 | 177.8 | -69.2 | 67.9 | 47.4 | 0 | 0 | 111.1 | E443 F445 N448 S449 C454 I455 N456 Y559 | E443-Q452 HydrophobicContact CB-CG 4.32Å; F445-Q452 HydrophobicContact CD2-CG 3.64Å; F445-Q452 HydrophobicContact CE2-CG 3.82Å; N448-Q452 HydrophobicContact CB-CB 4.08Å; N448-Q452 HydrophobicContact CB-CG 4.35Å; S449-Q452 PolarHBondContact O-N 3.04Å; Q452-C454 PolarHBondContact O-N 3.02Å; Q452-I455 PolarHBondContact O-N 2.89Å; Q452-N456 WeakPolarHBondContact O-CB 3.48Å; Q452-N456 VanDerWaalsContact O-CG 3.24Å; Q452-N456 PolarHBondContact O-N 2.6Å; Q452-N456 PolarHBondContact O-ND2 2.99Å; Q452-Y559 HydrophobicContact CB-CE1 4.1Å |
| 453 | F | 90 | Very high | 85.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.6 | -40.1 | 173.8 | 169.8 | -96.8 | 0 | 0 | 0 | 111.3 | S449 F450 E451 Y457 I500 I506 L507 F548 I550 Y559 F564 | S449-F453 PolarHBondContact O-N 3.15Å; S449-F453 VanDerWaalsContact O-N 3.11Å; F450-F453 HydrophobicContact CD2-CD1 4.33Å; F450-F453 PolarHBondContact O-N 2.95Å; E451-F453 VanDerWaalsContact C-N 3.35Å; E451-F453 PolarHBondContact O-N 2.71Å; F453-Y457 WeakPolarHBondContact O-CB 3.21Å; F453-Y457 PolarHBondContact O-N 3.43Å; F453-Y457 VanDerWaalsContact O-N 3.08Å; F453-I500 HydrophobicContact CE2-CG1 4.26Å; F453-I500 HydrophobicContact CE2-CG2 4.42Å; F453-I500 HydrophobicContact CZ-CG1 4.5Å; F453-I500 HydrophobicContact CZ-CG2 3.89Å; F453-I506 HydrophobicContact CE1-CG2 4.49Å; F453-I506 HydrophobicContact CE2-CB 4.38Å; F453-I506 HydrophobicContact CE2-CD1 4.28Å; F453-I506 HydrophobicContact CE2-CG2 3.79Å; F453-I506 HydrophobicContact CZ-CB 4.11Å; F453-I506 HydrophobicContact CZ-CG2 3.58Å; F453-L507 HydrophobicContact CE1-CD2 3.77Å; F453-L507 HydrophobicContact CE1-CG 4.02Å; F453-L507 HydrophobicContact CZ-CD2 4.43Å; F453-L507 HydrophobicContact CZ-CG 4.22Å; F453-F548 HydrophobicContact CD2-CE2 4.45Å; F453-F548 HydrophobicContact CD2-CZ 4.47Å; F453-I550 HydrophobicContact CD2-CD1 3.9Å; F453-I550 HydrophobicContact CE2-CD1 3.67Å; F453-Y559 VanDerWaalsContact CA-CE1 3.45Å; F453-Y559 HydrophobicContact CB-CD1 3.84Å; F453-Y559 HydrophobicContact CB-CE1 3.68Å; F453-Y559 HydrophobicContact CB-CG 4.46Å; F453-Y559 HydrophobicContact CD2-CE2 4.31Å; F453-Y559 VanDerWaalsContact N-CE1 3.35Å; F453-F564 HydrophobicContact CB-CE1 4.2Å; F453-F564 HydrophobicContact CB-CZ 4.03Å; F453-F564 HydrophobicContact CD1-CE1 4.15Å; F453-F564 HydrophobicContact CG-CE1 4.14Å; F453-F564 HydrophobicContact CG-CZ 4.4Å |
| 454 | C | 86.9 | Confident | 85.6 | Confident | 15 Ų | 15 | 27.6 Ų | 27.6 | 10% | 0.101 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.2 | -45.5 | 174.5 | -69.6 | 0 | 0 | 0 | 0 | 113.1 | F450 E451 Q452 N456 Y457 A458 F630 | F450-C454 PolarHBondContact O-N 3.42Å; F450-C454 PolarHBondContact O-SG 3.46Å; E451-C454 WeakPolarHBondContact O-CB 3.16Å; E451-C454 PolarHBondContact O-N 3.44Å; E451-C454 VanDerWaalsContact O-N 3.16Å; Q452-C454 PolarHBondContact O-N 3.02Å; C454-N456 VanDerWaalsContact C-N 3.3Å; C454-N456 PolarHBondContact O-N 3.12Å; C454-Y457 PolarHBondContact O-N 3.22Å; C454-A458 PolarHBondContact O-N 2.74Å; C454-F630 VanDerWaalsContact CA-CE1 3.48Å; C454-F630 HydrophobicContact CB-CD1 3.75Å; C454-F630 HydrophobicContact CB-CE1 3.42Å; C454-F630 VanDerWaalsContact CB-CE1 3.42Å; C454-F630 HydrophobicContact CB-CZ 4.15Å; C454-F630 WeakPolarHBondContact O-CE1 3.29Å; C454-F630 WeakPolarHBondContact O-CZ 3.41Å; C454-F630 VanDerWaalsContact SG-CD1 3.5Å |
| 455 | I | 85.3 | Confident | 85.8 | Confident | 11 Ų | 11 | 26.3 Ų | 26.3 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 177.6 | -68.5 | 171.9 | 0 | 0 | 0 | 111.3 | Y440 G441 E443 E451 Q452 A458 N459 | Y440-I455 HydrophobicContact CD2-CB 4.3Å; Y440-I455 HydrophobicContact CD2-CD1 4.08Å; Y440-I455 HydrophobicContact CD2-CG1 3.65Å; Y440-I455 HydrophobicContact CD2-CG2 3.96Å; Y440-I455 HydrophobicContact CE2-CD1 4.34Å; Y440-I455 HydrophobicContact CE2-CG1 3.87Å; Y440-I455 HydrophobicContact CG-CD1 4.46Å; Y440-I455 HydrophobicContact CG-CG1 4.45Å; Y440-I455 HydrophobicContact CG-CG2 4.4Å; G441-I455 WeakPolarHBondContact O-CG2 3.31Å; E443-I455 HydrophobicContact CB-CG2 4.22Å; E443-I455 HydrophobicContact CG-CD1 4.49Å; E443-I455 HydrophobicContact CG-CG2 4.12Å; E443-I455 VanDerWaalsContact OE2-CD1 3.27Å; E443-I455 WeakPolarHBondContact OE2-CD1 3.47Å; E451-I455 WeakPolarHBondContact O-CG1 3.47Å; E451-I455 PolarHBondContact O-N 3.36Å; Q452-I455 PolarHBondContact O-N 2.89Å; I455-A458 PolarHBondContact O-N 3.38Å; I455-N459 PolarHBondContact O-N 2.82Å; I455-N459 PolarHBondContact O-ND2 3.34Å |
| 456 | N | 88.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -75.1 | -33.9 | -177.6 | -66.1 | -19.4 | 0 | 0 | 0 | 112.2 | F442 E443 Q452 C454 N459 E460 Y559 | F442-N456 WeakPolarHBondContact CA-OD1 3.25Å; F442-N456 HydrophobicContact CD2-CB 4Å; F442-N456 VanDerWaalsContact CD2-OD1 3.3Å; F442-N456 WeakPolarHBondContact CD2-OD1 3.24Å; F442-N456 HydrophobicContact CE2-CB 3.78Å; E443-N456 PolarHBondContact N-OD1 3.18Å; E443-N456 PolarHBondContact O-ND2 2.97Å; E443-N456 PolarHBondContact O-OD1 3.02Å; Q452-N456 WeakPolarHBondContact O-CB 3.48Å; Q452-N456 VanDerWaalsContact O-CG 3.24Å; Q452-N456 PolarHBondContact O-N 2.6Å; Q452-N456 PolarHBondContact O-ND2 2.99Å; C454-N456 VanDerWaalsContact C-N 3.3Å; C454-N456 PolarHBondContact O-N 3.12Å; N456-N459 PolarHBondContact O-N 2.98Å; N456-E460 WeakPolarHBondContact O-CG 3.3Å; N456-E460 PolarHBondContact O-N 3.09Å; N456-Y559 WeakPolarHBondContact CB-OH 3.47Å; N456-Y559 PolarHBondContact ND2-OH 3Å |
| 457 | Y | 90.2 | Very high | 86.2 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 168.6 | 170.3 | -146 | 0 | 0 | 0 | 112.5 | F453 C454 N459 E460 K461 I500 E501 L507 F630 R631 L634 | F453-Y457 WeakPolarHBondContact O-CB 3.21Å; F453-Y457 PolarHBondContact O-N 3.43Å; F453-Y457 VanDerWaalsContact O-N 3.08Å; C454-Y457 PolarHBondContact O-N 3.22Å; Y457-N459 VanDerWaalsContact C-N 3.33Å; Y457-N459 PolarHBondContact O-N 3.15Å; Y457-E460 PolarHBondContact O-N 3.4Å; Y457-K461 HydrophobicContact CD2-CG 4.39Å; Y457-K461 HydrophobicContact CE2-CG 3.97Å; Y457-K461 PolarHBondContact O-N 2.95Å; Y457-I500 HydrophobicContact CD1-CG2 3.83Å; Y457-I500 HydrophobicContact CD2-CB 4.38Å; Y457-I500 HydrophobicContact CD2-CD1 4.42Å; Y457-I500 HydrophobicContact CD2-CG2 3.69Å; Y457-I500 HydrophobicContact CE1-CG2 4.26Å; Y457-I500 HydrophobicContact CE2-CG2 4.09Å; Y457-I500 HydrophobicContact CG-CG2 3.59Å; Y457-E501 HydrophobicContact CE2-CB 4.16Å; Y457-E501 WeakPolarHBondContact CE2-OE2 3.49Å; Y457-E501 VanDerWaalsContact CZ-OE2 3.32Å; Y457-E501 WeakPolarHBondContact OH-CB 3.43Å; Y457-E501 PolarHBondContact OH-OE2 3.1Å; Y457-L507 HydrophobicContact CD1-CD1 3.98Å; Y457-L507 HydrophobicContact CE1-CD1 3.66Å; Y457-F630 HydrophobicContact CD1-CD1 4.21Å; Y457-F630 AromaticContact CD1-CE1 3.37Å; Y457-F630 HydrophobicContact CD1-CE1 3.37Å; Y457-F630 AromaticContact CD1-CZ 3.7Å; Y457-F630 HydrophobicContact CD1-CZ 3.7Å; Y457-F630 HydrophobicContact CE1-CD1 4.49Å; Y457-F630 AromaticContact CE1-CE1 3.97Å; Y457-F630 HydrophobicContact CE1-CE1 3.97Å; Y457-F630 HydrophobicContact CE1-CZ 4.22Å; Y457-F630 HydrophobicContact CG-CE1 4.27Å; Y457-F630 HydrophobicContact CG-CZ 4.35Å; Y457-R631 HydrophobicContact CE1-CB 4.46Å; Y457-L634 HydrophobicContact CD1-CD2 4.23Å; Y457-L634 HydrophobicContact CD2-CD2 4.34Å; Y457-L634 HydrophobicContact CE1-CD2 3.92Å; Y457-L634 HydrophobicContact CE2-CD2 4.07Å; Y457-L634 HydrophobicContact CG-CD2 4.39Å |
| 458 | A | 87.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | L243 C454 I455 K461 L462 F630 L634 | L243-A458 HydrophobicContact CD1-CB 3.93Å; C454-A458 PolarHBondContact O-N 2.74Å; I455-A458 PolarHBondContact O-N 3.38Å; A458-K461 PolarHBondContact O-N 3.01Å; A458-L462 WeakPolarHBondContact O-CG 3.39Å; A458-L462 PolarHBondContact O-N 3.16Å; A458-F630 HydrophobicContact CB-CE2 4.32Å; A458-F630 HydrophobicContact CB-CZ 4.08Å; A458-L634 HydrophobicContact CB-CD1 4.09Å; A458-L634 HydrophobicContact CB-CD2 4.41Å |
| 459 | N | 86.8 | Confident | 86 | Confident | 8 Ų | 8 | 15.6 Ų | 15.6 | 4% | 0.043 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.3 | -37.5 | 176.8 | -83.5 | -91.9 | 0 | 0 | 0 | 112.9 | Y440 G441 F442 I455 N456 Y457 K461 L462 Q463 F553 | Y440-N459 PolarHBondContact O-ND2 3Å; Y440-N459 PolarHBondContact O-OD1 3.36Å; G441-N459 VanDerWaalsContact C-ND2 3.31Å; G441-N459 WeakPolarHBondContact CA-OD1 3.23Å; G441-N459 PolarHBondContact O-ND2 3.3Å; F442-N459 PolarHBondContact N-OD1 2.98Å; I455-N459 PolarHBondContact O-N 2.82Å; I455-N459 PolarHBondContact O-ND2 3.34Å; N456-N459 PolarHBondContact O-N 2.98Å; Y457-N459 VanDerWaalsContact C-N 3.33Å; Y457-N459 PolarHBondContact O-N 3.15Å; N459-K461 PolarHBondContact O-N 2.91Å; N459-L462 PolarHBondContact O-N 3.47Å; N459-Q463 WeakPolarHBondContact O-CB 3.5Å; N459-Q463 PolarHBondContact O-N 2.87Å; N459-F553 HydrophobicContact CB-CE1 4.39Å |
| 460 | E | 88.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 171 | -76.3 | -68.3 | 172 | 0 | 0 | 111.8 | N456 Y457 L462 Q463 Q464 N493 I497 H552 F553 | N456-E460 WeakPolarHBondContact O-CG 3.3Å; N456-E460 PolarHBondContact O-N 3.09Å; Y457-E460 PolarHBondContact O-N 3.4Å; E460-L462 PolarHBondContact O-N 3.13Å; E460-Q463 PolarHBondContact O-N 2.81Å; E460-Q464 PolarHBondContact O-N 2.97Å; E460-N493 PolarHBondContact O-ND2 2.85Å; E460-N493 WeakPolarHBondContact OE2-CB 3.23Å; E460-N493 PolarHBondContact OE2-ND2 3.07Å; E460-I497 HydrophobicContact CB-CD1 4.41Å; E460-I497 HydrophobicContact CB-CG1 3.94Å; E460-H552 WeakPolarHBondContact OE1-CA 3.47Å; E460-H552 WeakPolarHBondContact OE1-CB 3.37Å; E460-H552 IonicContact OE1-CG 2.68Å; E460-H552 IonicContact OE1-ND1 2.92Å; E460-H552 PolarHBondContact OE1-ND1 2.96Å; E460-F553 HydrophobicContact CG-CD1 4.49Å; E460-F553 PolarHBondContact OE1-N 2.85Å |
| 461 | K | 89.1 | Confident | 85.3 | Confident | 19 Ų | 19 | 17 Ų | 17 | 8% | 0.083 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.8 | -80 | -68.4 | -172.7 | -173.2 | 0 | 112.8 | Y457 A458 N459 Q464 Q465 I497 E501 L634 M638 | Y457-K461 HydrophobicContact CD2-CG 4.39Å; Y457-K461 HydrophobicContact CE2-CG 3.97Å; Y457-K461 PolarHBondContact O-N 2.95Å; A458-K461 PolarHBondContact O-N 3.01Å; N459-K461 PolarHBondContact O-N 2.91Å; K461-Q464 WeakPolarHBondContact O-CB 3.49Å; K461-Q464 PolarHBondContact O-N 3.48Å; K461-Q465 PolarHBondContact O-N 2.74Å; K461-Q465 VanDerWaalsContact O-N 3.13Å; K461-I497 HydrophobicContact CD-CD1 4.25Å; K461-I497 HydrophobicContact CD-CG2 4.22Å; K461-I497 VanDerWaalsContact CE-CG2 3.49Å; K461-I497 VanDerWaalsContact NZ-CG2 3.32Å; K461-E501 VanDerWaalsContact CE-CD 3.47Å; K461-E501 WeakPolarHBondContact CE-OE1 3.35Å; K461-E501 WeakPolarHBondContact CE-OE2 3.46Å; K461-E501 VanDerWaalsContact NZ-CD 3.28Å; K461-E501 IonicContact NZ-OE1 2.67Å; K461-E501 PolarHBondContact NZ-OE1 2.83Å; K461-E501 IonicContact NZ-OE2 2.88Å; K461-E501 PolarHBondContact NZ-OE2 3.23Å; K461-L634 HydrophobicContact CB-CD2 4.24Å; K461-L634 HydrophobicContact CG-CD2 3.89Å; K461-L634 HydrophobicContact CG-CG 4.41Å; K461-M638 HydrophobicContact CB-CE 4.35Å; K461-M638 HydrophobicContact CB-CG 4.26Å; K461-M638 HydrophobicContact CB-SD 4.19Å; K461-M638 VanDerWaalsContact O-CE 3.3Å; K461-M638 WeakPolarHBondContact O-CE 3.48Å |
| 462 | L | 87.6 | Confident | 85.2 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.047 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.5 | -38.5 | 175.9 | -73.8 | 167 | 0 | 0 | 0 | 112 | L437 I439 A458 N459 E460 Q465 F466 M638 L641 | L437-L462 HydrophobicContact CD2-CD2 4.12Å; I439-L462 HydrophobicContact CD1-CD1 4.07Å; I439-L462 HydrophobicContact CG2-CD1 3.83Å; A458-L462 WeakPolarHBondContact O-CG 3.39Å; A458-L462 PolarHBondContact O-N 3.16Å; N459-L462 PolarHBondContact O-N 3.47Å; E460-L462 PolarHBondContact O-N 3.13Å; L462-Q465 PolarHBondContact O-N 3.49Å; L462-F466 WeakPolarHBondContact O-CB 3.41Å; L462-F466 PolarHBondContact O-N 3.3Å; L462-M638 HydrophobicContact CD2-CE 4.11Å; L462-M638 HydrophobicContact CD2-SD 4.07Å; L462-M638 HydrophobicContact CG-SD 4.41Å; L462-L641 HydrophobicContact CD2-CD1 3.84Å |
| 463 | Q | 85.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.3 | -32.5 | 176.1 | -167.6 | 60.7 | 28 | 0 | 0 | 112.2 | N459 E460 F466 N467 F553 | N459-Q463 WeakPolarHBondContact O-CB 3.5Å; N459-Q463 PolarHBondContact O-N 2.87Å; E460-Q463 PolarHBondContact O-N 2.81Å; Q463-F466 PolarHBondContact O-N 3.37Å; Q463-N467 PolarHBondContact NE2-OD1 3.38Å; Q463-N467 WeakPolarHBondContact O-CB 3.48Å; Q463-N467 VanDerWaalsContact O-CG 3.25Å; Q463-N467 PolarHBondContact O-N 3.46Å; Q463-N467 PolarHBondContact O-OD1 3.47Å; Q463-F553 HydrophobicContact CB-CD1 4Å; Q463-F553 HydrophobicContact CB-CE1 3.88Å; Q463-F553 HydrophobicContact CB-CG 4.37Å; Q463-F553 HydrophobicContact CB-CZ 4.16Å; Q463-F553 HydrophobicContact CG-CD1 4.07Å; Q463-F553 HydrophobicContact CG-CD2 3.88Å; Q463-F553 HydrophobicContact CG-CE1 4.19Å; Q463-F553 HydrophobicContact CG-CE2 4.01Å; Q463-F553 HydrophobicContact CG-CG 3.93Å; Q463-F553 HydrophobicContact CG-CZ 4.16Å |
| 464 | Q | 87.4 | Confident | 84 | Confident | 50 Ų | 50 | 25.3 Ų | 25.3 | 23% | 0.234 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 171.1 | -176.4 | -177.9 | 36.5 | 0 | 0 | 111.4 | E460 K461 F466 N467 S468 N493 I497 | E460-Q464 PolarHBondContact O-N 2.97Å; K461-Q464 WeakPolarHBondContact O-CB 3.49Å; K461-Q464 PolarHBondContact O-N 3.48Å; Q464-F466 VanDerWaalsContact C-N 3.3Å; Q464-F466 PolarHBondContact O-N 3.37Å; Q464-N467 PolarHBondContact O-N 3.05Å; Q464-S468 WeakPolarHBondContact O-CB 3.34Å; Q464-S468 PolarHBondContact O-N 2.81Å; Q464-N493 WeakPolarHBondContact CA-OD1 3.28Å; Q464-N493 WeakPolarHBondContact CB-OD1 3.25Å; Q464-I497 HydrophobicContact CB-CD1 3.76Å; Q464-I497 HydrophobicContact CG-CD1 4.16Å |
| 465 | Q | 86.4 | Confident | 83.6 | Confident | 15 Ų | 15 | 26.9 Ų | 26.9 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 177.1 | -177.3 | -174.9 | 52.4 | 0 | 0 | 110.9 | K461 L462 S468 H469 M638 L641 N642 | K461-Q465 PolarHBondContact O-N 2.74Å; K461-Q465 VanDerWaalsContact O-N 3.13Å; L462-Q465 PolarHBondContact O-N 3.49Å; Q465-S468 PolarHBondContact O-N 2.76Å; Q465-H469 WeakPolarHBondContact O-CB 3.49Å; Q465-H469 PolarHBondContact O-N 3.45Å; Q465-M638 HydrophobicContact CB-CE 3.7Å; Q465-M638 HydrophobicContact CG-CE 4.38Å; Q465-L641 VanDerWaalsContact NE2-C 3.33Å; Q465-N642 PolarHBondContact NE2-OD1 2.96Å |
| 466 | F | 85.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.7 | -52.1 | 176.3 | 174 | -86.3 | 0 | 0 | 0 | 112.2 | V106 L462 Q463 Q464 S468 H469 V470 Y648 T680 | V106-F466 HydrophobicContact CG2-CE2 3.6Å; V106-F466 HydrophobicContact CG2-CZ 3.75Å; L462-F466 WeakPolarHBondContact O-CB 3.41Å; L462-F466 PolarHBondContact O-N 3.3Å; Q463-F466 PolarHBondContact O-N 3.37Å; Q464-F466 VanDerWaalsContact C-N 3.3Å; Q464-F466 PolarHBondContact O-N 3.37Å; F466-S468 VanDerWaalsContact C-N 3.29Å; F466-S468 PolarHBondContact O-N 3.47Å; F466-H469 PolarHBondContact O-N 2.88Å; F466-H469 VanDerWaalsContact O-N 3.14Å; F466-V470 HydrophobicContact CD1-CG2 4.13Å; F466-V470 HydrophobicContact CD2-CG2 4.38Å; F466-V470 HydrophobicContact CE1-CG2 3.68Å; F466-V470 HydrophobicContact CE2-CG2 3.97Å; F466-V470 HydrophobicContact CG-CG2 4.46Å; F466-V470 HydrophobicContact CZ-CG2 3.59Å; F466-V470 WeakPolarHBondContact O-CG2 3.42Å; F466-V470 PolarHBondContact O-N 3.1Å; F466-Y648 WeakPolarHBondContact CA-OH 3.21Å; F466-Y648 HydrophobicContact CB-CE1 4.12Å; F466-Y648 AromaticContact CD2-CD1 3.64Å; F466-Y648 HydrophobicContact CD2-CD1 3.64Å; F466-Y648 AromaticContact CD2-CD2 3.63Å; F466-Y648 HydrophobicContact CD2-CD2 3.63Å; F466-Y648 AromaticContact CD2-CE1 3.67Å; F466-Y648 HydrophobicContact CD2-CE1 3.67Å; F466-Y648 AromaticContact CD2-CE2 3.67Å; F466-Y648 HydrophobicContact CD2-CE2 3.67Å; F466-Y648 AromaticContact CD2-CG 3.61Å; F466-Y648 HydrophobicContact CD2-CG 3.61Å; F466-Y648 AromaticContact CD2-CZ 3.69Å; F466-Y648 HydrophobicContact CE2-CD1 4.26Å; F466-Y648 AromaticContact CE2-CD2 3.84Å; F466-Y648 HydrophobicContact CE2-CD2 3.84Å; F466-Y648 HydrophobicContact CE2-CE2 4.28Å; F466-Y648 AromaticContact CE2-CG 3.83Å; F466-Y648 HydrophobicContact CE2-CG 3.83Å; F466-Y648 HydrophobicContact CG-CE1 4.4Å; F466-T680 HydrophobicContact CE1-CG2 3.91Å; F466-T680 WeakPolarHBondContact CE1-OG1 3.41Å; F466-T680 HydrophobicContact CZ-CG2 3.63Å; F466-T680 WeakPolarHBondContact CZ-OG1 3.48Å |
| 467 | N | 81.2 | Confident | 82.8 | Confident | 9 Ų | 9 | 31.2 Ų | 31.2 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.9 | -43.7 | 179.1 | -73.7 | 4.5 | 0 | 0 | 0 | 110.8 | Q463 Q464 F471 Y491 | Q463-N467 PolarHBondContact NE2-OD1 3.38Å; Q463-N467 WeakPolarHBondContact O-CB 3.48Å; Q463-N467 VanDerWaalsContact O-CG 3.25Å; Q463-N467 PolarHBondContact O-N 3.46Å; Q463-N467 PolarHBondContact O-OD1 3.47Å; Q464-N467 PolarHBondContact O-N 3.05Å; N467-F471 WeakPolarHBondContact O-CB 3.16Å; N467-F471 PolarHBondContact O-N 3.47Å; N467-F471 VanDerWaalsContact O-N 3.07Å; N467-Y491 PolarHBondContact ND2-O 2.89Å; N467-Y491 VanDerWaalsContact ND2-O 3.1Å |
| 468 | S | 81.1 | Confident | 82.5 | Confident | 84 Ų | 84 | 31.7 Ų | 31.7 | 59% | 0.587 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -64.5 | -39.6 | 177.2 | -171.6 | 0 | 0 | 0 | 0 | 112.8 | Q464 Q465 F466 K472 | Q464-S468 WeakPolarHBondContact O-CB 3.34Å; Q464-S468 PolarHBondContact O-N 2.81Å; Q465-S468 PolarHBondContact O-N 2.76Å; F466-S468 VanDerWaalsContact C-N 3.29Å; F466-S468 PolarHBondContact O-N 3.47Å; S468-K472 WeakPolarHBondContact O-CB 3.31Å; S468-K472 PolarHBondContact O-N 3.28Å; S468-K472 VanDerWaalsContact O-N 3.12Å |
| 469 | H | 82.6 | Confident | 82.4 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 15% | 0.148 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.7 | -44.9 | 179.1 | -170.8 | 70.2 | 0 | 0 | 0 | 112.7 | Q465 F466 F471 K472 L473 P646 | Q465-H469 WeakPolarHBondContact O-CB 3.49Å; Q465-H469 PolarHBondContact O-N 3.45Å; F466-H469 PolarHBondContact O-N 2.88Å; F466-H469 VanDerWaalsContact O-N 3.14Å; H469-F471 VanDerWaalsContact C-N 3.34Å; H469-F471 PolarHBondContact O-N 3.07Å; H469-K472 PolarHBondContact O-N 2.93Å; H469-L473 VanDerWaalsContact NE2-CD1 3.3Å; H469-L473 WeakPolarHBondContact NE2-CD1 3.46Å; H469-L473 PolarHBondContact O-N 3.4Å; H469-P646 HydrophobicContact CB-CG 4.2Å |
| 470 | V | 79.5 | Confident | 82.4 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.3 | -49.2 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | I105 F466 K472 L473 E474 T680 | I105-V470 HydrophobicContact CD1-CB 4.48Å; I105-V470 HydrophobicContact CD1-CG2 3.61Å; I105-V470 HydrophobicContact CG1-CG2 4.23Å; F466-V470 HydrophobicContact CD1-CG2 4.13Å; F466-V470 HydrophobicContact CD2-CG2 4.38Å; F466-V470 HydrophobicContact CE1-CG2 3.68Å; F466-V470 HydrophobicContact CE2-CG2 3.97Å; F466-V470 HydrophobicContact CG-CG2 4.46Å; F466-V470 HydrophobicContact CZ-CG2 3.59Å; F466-V470 WeakPolarHBondContact O-CG2 3.42Å; F466-V470 PolarHBondContact O-N 3.1Å; V470-K472 VanDerWaalsContact C-N 3.28Å; V470-K472 PolarHBondContact O-N 3.31Å; V470-L473 PolarHBondContact O-N 3.4Å; V470-E474 PolarHBondContact O-N 2.83Å; V470-E474 VanDerWaalsContact O-N 3.09Å; V470-T680 HydrophobicContact CG2-CG2 4.48Å |
| 471 | F | 75.8 | Confident | 82.3 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 21% | 0.211 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -41.7 | 178.3 | -177.9 | -89.2 | 0 | 0 | 0 | 111.9 | N467 H469 E474 Q475 L487 I488 | N467-F471 WeakPolarHBondContact O-CB 3.16Å; N467-F471 PolarHBondContact O-N 3.47Å; N467-F471 VanDerWaalsContact O-N 3.07Å; H469-F471 VanDerWaalsContact C-N 3.34Å; H469-F471 PolarHBondContact O-N 3.07Å; F471-E474 PolarHBondContact O-N 3.48Å; F471-Q475 WeakPolarHBondContact O-CB 3.48Å; F471-Q475 PolarHBondContact O-N 2.97Å; F471-L487 HydrophobicContact CZ-CD2 4.49Å; F471-I488 HydrophobicContact CE2-CB 4.46Å |
| 472 | K | 77.6 | Confident | 82.2 | Confident | 121 Ų | 121 | 47.1 Ų | 47.1 | 53% | 0.526 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.3 | -43.1 | 179.3 | -174.3 | 170.9 | -179 | 175.1 | 0 | 113 | S468 H469 V470 E474 Q475 D476 | S468-K472 WeakPolarHBondContact O-CB 3.31Å; S468-K472 PolarHBondContact O-N 3.28Å; S468-K472 VanDerWaalsContact O-N 3.12Å; H469-K472 PolarHBondContact O-N 2.93Å; V470-K472 VanDerWaalsContact C-N 3.28Å; V470-K472 PolarHBondContact O-N 3.31Å; K472-E474 VanDerWaalsContact C-N 3.33Å; K472-E474 PolarHBondContact O-N 3.41Å; K472-Q475 WeakPolarHBondContact O-CB 3.41Å; K472-Q475 PolarHBondContact O-N 3.19Å; K472-D476 PolarHBondContact O-N 2.89Å |
| 473 | L | 76.6 | Confident | 82.1 | Confident | 65 Ų | 65 | 47.1 Ų | 47.1 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.2 | -36.4 | 177.3 | -72.5 | -175.6 | 0 | 0 | 0 | 112.4 | I105 H469 V470 D476 E477 | I105-L473 HydrophobicContact CD1-CD1 3.91Å; I105-L473 HydrophobicContact CG2-CD1 3.9Å; H469-L473 VanDerWaalsContact NE2-CD1 3.3Å; H469-L473 WeakPolarHBondContact NE2-CD1 3.46Å; H469-L473 PolarHBondContact O-N 3.4Å; V470-L473 PolarHBondContact O-N 3.4Å; L473-D476 PolarHBondContact O-N 3.29Å; L473-E477 PolarHBondContact O-N 3.25Å |
| 474 | E | 74.6 | Confident | 81.8 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 15% | 0.15 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 172.4 | -75.1 | -69.1 | 122.8 | 0 | 0 | 112 | V470 F471 K472 E477 Y478 R691 | V470-E474 PolarHBondContact O-N 2.83Å; V470-E474 VanDerWaalsContact O-N 3.09Å; F471-E474 PolarHBondContact O-N 3.48Å; K472-E474 VanDerWaalsContact C-N 3.33Å; K472-E474 PolarHBondContact O-N 3.41Å; E474-E477 PolarHBondContact O-N 3.09Å; E474-Y478 WeakPolarHBondContact O-CB 3.38Å; E474-Y478 VanDerWaalsContact O-CG 3.3Å; E474-Y478 PolarHBondContact O-N 3.13Å; E474-Y478 PolarHBondContact OE2-OH 3.45Å; E474-R691 IonicContact OE1-CZ 3.34Å; E474-R691 VanDerWaalsContact OE1-CZ 3.3Å; E474-R691 IonicContact OE1-NH1 3.41Å; E474-R691 PolarHBondContact OE1-NH1 3.19Å; E474-R691 IonicContact OE1-NH2 3.39Å; E474-R691 PolarHBondContact OE1-NH2 2.91Å; E474-R691 IonicContact OE2-CZ 2.66Å; E474-R691 IonicContact OE2-NH1 3.22Å; E474-R691 IonicContact OE2-NH2 2.66Å; E474-R691 PolarHBondContact OE2-NH2 2.95Å |
| 475 | Q | 77.1 | Confident | 80.9 | Confident | 47 Ų | 47 | 55.1 Ų | 55.1 | 22% | 0.22 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 173.3 | -173.4 | 174.7 | 32 | 0 | 0 | 111.9 | F471 K472 Y478 M479 W485 | F471-Q475 WeakPolarHBondContact O-CB 3.48Å; F471-Q475 PolarHBondContact O-N 2.97Å; K472-Q475 WeakPolarHBondContact O-CB 3.41Å; K472-Q475 PolarHBondContact O-N 3.19Å; Q475-Y478 PolarHBondContact O-N 3.47Å; Q475-M479 HydrophobicContact CG-SD 4.11Å; Q475-M479 WeakPolarHBondContact O-CB 3.36Å; Q475-M479 VanDerWaalsContact O-CG 3.32Å; Q475-M479 WeakPolarHBondContact O-CG 3.44Å; Q475-M479 PolarHBondContact O-N 2.89Å; Q475-W485 HydrophobicContact CG-CG 4.44Å |
| 476 | D | 79.1 | Confident | 79.9 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 179.4 | -74.8 | -28.9 | 0 | 0 | 0 | 111.9 | K472 L473 K480 | K472-D476 PolarHBondContact O-N 2.89Å; L473-D476 PolarHBondContact O-N 3.29Å; D476-K480 WeakPolarHBondContact O-CB 3.27Å; D476-K480 PolarHBondContact O-N 3.37Å |
| 477 | E | 79 | Confident | 78.6 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 175.1 | -179.3 | 74.9 | 172 | 0 | 0 | 112.2 | L473 E474 K480 E481 K739 F741 | L473-E477 PolarHBondContact O-N 3.25Å; E474-E477 PolarHBondContact O-N 3.09Å; E477-K480 PolarHBondContact O-N 3.2Å; E477-K480 WeakPolarHBondContact OE2-CD 3.48Å; E477-K480 WeakPolarHBondContact OE2-CE 3.48Å; E477-K480 IonicContact OE2-NZ 3.61Å; E477-K480 PolarHBondContact OE2-NZ 3.13Å; E477-E481 WeakPolarHBondContact O-CB 3.27Å; E477-E481 PolarHBondContact O-N 3.22Å; E477-K739 IonicContact OE1-NZ 3.71Å; E477-K739 PolarHBondContact OE1-NZ 2.95Å; E477-F741 HydrophobicContact CG-CZ 4.25Å |
| 478 | Y | 84.1 | Confident | 77.6 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 4% | 0.043 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 173 | -69.3 | -13.2 | 0 | 0 | 0 | 111.8 | E474 Q475 E481 D482 I483 W485 I488 Y688 F741 | E474-Y478 WeakPolarHBondContact O-CB 3.38Å; E474-Y478 VanDerWaalsContact O-CG 3.3Å; E474-Y478 PolarHBondContact O-N 3.13Å; E474-Y478 PolarHBondContact OE2-OH 3.45Å; Q475-Y478 PolarHBondContact O-N 3.47Å; Y478-E481 CarbonylContact O-C 3.6Å; Y478-E481 PolarHBondContact O-N 3.04Å; Y478-D482 PolarHBondContact O-N 3.43Å; Y478-I483 HydrophobicContact CG-CG2 4.43Å; Y478-I483 PolarHBondContact O-N 3.04Å; Y478-W485 HydrophobicContact CD2-CB 4.32Å; Y478-I488 HydrophobicContact CE2-CD1 4.21Å; Y478-Y688 HydrophobicContact CE1-CD2 4.46Å; Y478-Y688 PolarHBondContact OH-N 2.7Å; Y478-F741 HydrophobicContact CD1-CD1 4.33Å; Y478-F741 AromaticContact CD1-CE1 3.96Å; Y478-F741 HydrophobicContact CD1-CE1 3.96Å; Y478-F741 AromaticContact CE1-CD1 3.9Å; Y478-F741 HydrophobicContact CE1-CD1 3.9Å; Y478-F741 AromaticContact CE1-CE1 3.83Å; Y478-F741 HydrophobicContact CE1-CE1 3.83Å |
| 479 | M | 85.3 | Confident | 76.6 | Confident | 105 Ų | 105 | 69.6 Ų | 69.6 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.6 | -77.2 | 178.8 | 53.8 | 0 | 0 | 112.1 | Q475 E481 D482 | Q475-M479 HydrophobicContact CG-SD 4.11Å; Q475-M479 WeakPolarHBondContact O-CB 3.36Å; Q475-M479 VanDerWaalsContact O-CG 3.32Å; Q475-M479 WeakPolarHBondContact O-CG 3.44Å; Q475-M479 PolarHBondContact O-N 2.89Å; M479-E481 VanDerWaalsContact C-N 3.29Å; M479-E481 PolarHBondContact O-N 3.46Å; M479-D482 PolarHBondContact O-N 3.38Å |
| 480 | K | 86.5 | Confident | 75.8 | Confident | 132 Ų | 132 | 72 Ų | 72 | 57% | 0.574 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.6 | -31.3 | 176.9 | 171.9 | 178.7 | 158.9 | -154.2 | 0 | 113.4 | D476 E477 | D476-K480 WeakPolarHBondContact O-CB 3.27Å; D476-K480 PolarHBondContact O-N 3.37Å; E477-K480 PolarHBondContact O-N 3.2Å; E477-K480 WeakPolarHBondContact OE2-CD 3.48Å; E477-K480 WeakPolarHBondContact OE2-CE 3.48Å; E477-K480 IonicContact OE2-NZ 3.61Å; E477-K480 PolarHBondContact OE2-NZ 3.13Å |
| 481 | E | 87.6 | Confident | 75.2 | Confident | 5 Ų | 5 | 75 Ų | 75 | 2% | 0.023 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 7.1 | 175.8 | -78.1 | -76.8 | 122.3 | 0 | 0 | 114 | E477 Y478 M479 I483 G736 K737 T738 K739 F741 | E477-E481 WeakPolarHBondContact O-CB 3.27Å; E477-E481 PolarHBondContact O-N 3.22Å; Y478-E481 CarbonylContact O-C 3.6Å; Y478-E481 PolarHBondContact O-N 3.04Å; M479-E481 VanDerWaalsContact C-N 3.29Å; M479-E481 PolarHBondContact O-N 3.46Å; E481-I483 VanDerWaalsContact C-N 3.34Å; E481-I483 HydrophobicContact CB-CD1 4.1Å; E481-I483 HydrophobicContact CB-CG1 4.26Å; E481-I483 PolarHBondContact O-N 2.91Å; E481-G736 CarbonylContact O-C 3.48Å; E481-G736 WeakPolarHBondContact O-CA 3.17Å; E481-G736 VanDerWaalsContact OE2-C 3.3Å; E481-G736 WeakPolarHBondContact OE2-CA 3.32Å; E481-K737 PolarHBondContact O-N 3.14Å; E481-K737 PolarHBondContact OE2-N 2.88Å; E481-T738 VanDerWaalsContact CD-N 3.31Å; E481-T738 WeakPolarHBondContact OE1-CB 3.42Å; E481-T738 PolarHBondContact OE1-N 3.33Å; E481-T738 PolarHBondContact OE1-OG1 3.1Å; E481-T738 PolarHBondContact OE2-N 3.42Å; E481-K739 PolarHBondContact OE2-N 3.35Å; E481-F741 HydrophobicContact CB-CE2 3.99Å; E481-F741 HydrophobicContact CB-CZ 4.31Å; E481-F741 HydrophobicContact CG-CE2 3.82Å; E481-F741 HydrophobicContact CG-CZ 4.02Å |
| 482 | D | 87.6 | Confident | 75.3 | Confident | 110 Ų | 110 | 76.2 Ų | 76.2 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 33.3 | -177.8 | -51.4 | -60.3 | 0 | 0 | 0 | 114.4 | Y478 M479 K737 | Y478-D482 PolarHBondContact O-N 3.43Å; M479-D482 PolarHBondContact O-N 3.38Å; D482-K737 IonicContact OD1-NZ 2.7Å; D482-K737 PolarHBondContact OD1-NZ 3.36Å; D482-K737 WeakPolarHBondContact OD2-CE 3.41Å; D482-K737 IonicContact OD2-NZ 3.29Å; D482-K737 PolarHBondContact OD2-NZ 2.99Å |
| 483 | I | 85.3 | Confident | 75.8 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | trans | -95 | 136 | -179.1 | -67 | 175.2 | 0 | 0 | 0 | 110.9 | Y478 E481 W485 Q734 F741 | Y478-I483 HydrophobicContact CG-CG2 4.43Å; Y478-I483 PolarHBondContact O-N 3.04Å; E481-I483 VanDerWaalsContact C-N 3.34Å; E481-I483 HydrophobicContact CB-CD1 4.1Å; E481-I483 HydrophobicContact CB-CG1 4.26Å; E481-I483 PolarHBondContact O-N 2.91Å; I483-W485 PolarHBondContact O-N 2.98Å; I483-W485 VanDerWaalsContact O-N 3.14Å; I483-Q734 HydrophobicContact CD1-CB 4.15Å; I483-Q734 HydrophobicContact CG1-CB 4.41Å; I483-Q734 HydrophobicContact CG2-CB 4.15Å; I483-Q734 HydrophobicContact CG2-CG 4.22Å; I483-F741 HydrophobicContact CD1-CB 4.27Å; I483-F741 HydrophobicContact CD1-CD1 4.32Å; I483-F741 HydrophobicContact CD1-CD2 3.25Å; I483-F741 HydrophobicContact CD1-CE1 4.49Å; I483-F741 HydrophobicContact CD1-CE2 3.47Å; I483-F741 VanDerWaalsContact CD1-CE2 3.47Å; I483-F741 HydrophobicContact CD1-CG 3.71Å; I483-F741 HydrophobicContact CD1-CZ 4.11Å | ||
| 484 | P | 77.9 | Confident | 76.4 | Confident | 98 Ų | 98 | 69.6 Ų | 69.6 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | trans | -68.4 | 110.9 | 175.5 | 28.2 | -34.5 | 0 | 0 | 0 | 111 | ||||
| 485 | W | 69.5 | Low | 77.2 | Confident | 124 Ų | 124 | 71.1 Ų | 71.1 | 47% | 0.47 | 36% | 0.361 | S | S | . | . | trans | -76.9 | 123.3 | 173 | 62.2 | -86.9 | 0 | 0 | 0 | 110.3 | Q475 Y478 I483 | Q475-W485 HydrophobicContact CG-CG 4.44Å; Y478-W485 HydrophobicContact CD2-CB 4.32Å; I483-W485 PolarHBondContact O-N 2.98Å; I483-W485 VanDerWaalsContact O-N 3.14Å | ||
| 486 | T | 63.9 | Low | 77.9 | Confident | 100 Ų | 100 | 68.9 Ų | 68.9 | 61% | 0.613 | 35% | 0.35 | S | S | * | . | trans | -94.4 | 160.9 | 160.1 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | I488 | T486-I488 PolarHBondContact O-N 2.9Š| ||
| 487 | L | 58.5 | Low | 78.5 | Confident | 137 Ų | 137 | 65.3 Ų | 65.3 | 72% | 0.717 | 33% | 0.331 | S | S | * | . | trans | -64 | 107.3 | 167 | -82.2 | 145 | 0 | 0 | 0 | 108.6 | F471 | F471-L487 HydrophobicContact CZ-CD2 4.49Š| ||
| 488 | I | 61.2 | Low | 79.1 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | trans | -68.1 | 130.3 | 167.3 | -61.7 | 174.7 | 0 | 0 | 0 | 107.2 | F471 Y478 T486 F490 A686 | F471-I488 HydrophobicContact CE2-CB 4.46Å; Y478-I488 HydrophobicContact CE2-CD1 4.21Å; T486-I488 PolarHBondContact O-N 2.9Å; I488-F490 PolarHBondContact O-N 3.26Å; I488-A686 HydrophobicContact CG2-CB 4.46Å | ||
| 489 | D | 59.4 | Low | 79.6 | Confident | 151 Ų | 151 | 67.1 Ų | 67.1 | 81% | 0.807 | 34% | 0.343 | S | S | * | . | trans | -73.3 | 89.3 | -176.8 | -157.8 | 30.4 | 0 | 0 | 0 | 109.9 | ||||
| 490 | F | 65.4 | Low | 80 | Confident | 83 Ų | 83 | 62.1 Ų | 62.1 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | trans | -94 | 154.7 | -173 | 76.5 | -86.2 | 0 | 0 | 0 | 112.1 | I488 D492 I683 | I488-F490 PolarHBondContact O-N 3.26Å; F490-D492 HydrophobicContact CD2-CB 4.3Å; F490-D492 HydrophobicContact CE2-CB 3.61Å; F490-D492 HydrophobicContact CZ-CB 4.05Å; F490-D492 PolarHBondContact O-N 3.27Å; F490-D492 VanDerWaalsContact O-N 3.08Å; F490-I683 HydrophobicContact CB-CD1 4.43Å | ||
| 491 | Y | 67.6 | Low | 80.3 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 28% | 0.275 | 29% | 0.294 | S | S | . | . | trans | -75.9 | 96.6 | 172.2 | -171.2 | -92.5 | 0 | 0 | 0 | 110.1 | N467 N493 H537 F553 E679 | N467-Y491 PolarHBondContact ND2-O 2.89Å; N467-Y491 VanDerWaalsContact ND2-O 3.1Å; Y491-N493 HydrophobicContact CD1-CB 4.28Å; Y491-N493 HydrophobicContact CE1-CB 4.05Å; Y491-N493 PolarHBondContact O-N 2.88Å; Y491-H537 PolarHBondContact OH-CE1 3.5Å; Y491-F553 HydrophobicContact CE1-CB 4.02Å; Y491-E679 WeakPolarHBondContact CB-OE1 3.49Å | ||
| 492 | D | 78.3 | Confident | 80.4 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | trans | -75.2 | 116.1 | 169.1 | -173.6 | 11.8 | 0 | 0 | 0 | 110 | F490 Q494 P495 | F490-D492 HydrophobicContact CD2-CB 4.3Å; F490-D492 HydrophobicContact CE2-CB 3.61Å; F490-D492 HydrophobicContact CZ-CB 4.05Å; F490-D492 PolarHBondContact O-N 3.27Å; F490-D492 VanDerWaalsContact O-N 3.08Å; D492-Q494 WeakPolarHBondContact OD1-CB 3.44Å; D492-Q494 PolarHBondContact OD1-N 2.95Å; D492-P495 WeakPolarHBondContact O-CD 3.45Å | ||
| 493 | N | 86.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | trans | -92.9 | 0.6 | 176.6 | 69.7 | -35.2 | 0 | 0 | 0 | 113.2 | E460 Q464 Y491 P495 C496 I497 | E460-N493 PolarHBondContact O-ND2 2.85Å; E460-N493 WeakPolarHBondContact OE2-CB 3.23Å; E460-N493 PolarHBondContact OE2-ND2 3.07Å; Q464-N493 WeakPolarHBondContact CA-OD1 3.28Å; Q464-N493 WeakPolarHBondContact CB-OD1 3.25Å; Y491-N493 HydrophobicContact CD1-CB 4.28Å; Y491-N493 HydrophobicContact CE1-CB 4.05Å; Y491-N493 PolarHBondContact O-N 2.88Å; N493-P495 VanDerWaalsContact C-N 3.28Å; N493-C496 WeakPolarHBondContact O-CB 3.31Å; N493-C496 PolarHBondContact O-N 2.93Å; N493-I497 PolarHBondContact O-N 3.39Å; N493-I497 VanDerWaalsContact O-N 3.11Å | ||
| 494 | Q | 89.4 | Confident | 80.4 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -51 | -37.9 | 173.1 | -178.6 | 58.6 | 38.4 | 0 | 0 | 113.5 | D492 C496 I497 D498 | D492-Q494 WeakPolarHBondContact OD1-CB 3.44Å; D492-Q494 PolarHBondContact OD1-N 2.95Å; Q494-C496 VanDerWaalsContact C-N 3.31Å; Q494-C496 PolarHBondContact O-N 2.65Å; Q494-I497 CarbonylContact O-C 3.3Å; Q494-I497 WeakPolarHBondContact O-CB 3.48Å; Q494-I497 PolarHBondContact O-N 3.49Å; Q494-I497 VanDerWaalsContact O-N 3.15Å; Q494-D498 PolarHBondContact NE2-OD1 2.76Å; Q494-D498 PolarHBondContact NE2-OD2 3.34Å; Q494-D498 PolarHBondContact O-N 2.82Å |
| 495 | P | 91.3 | Very high | 81 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 41% | 0.409 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64 | -29 | 175.5 | -23.9 | 35.8 | 0 | 0 | 0 | 114.8 | D492 N493 L499 | D492-P495 WeakPolarHBondContact O-CD 3.45Å; N493-P495 VanDerWaalsContact C-N 3.28Å; P495-L499 PolarHBondContact O-N 2.99Å |
| 496 | C | 92.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.5 | -38.8 | 172.6 | -166.6 | 0 | 0 | 0 | 0 | 111 | N493 Q494 L499 I500 H537 I551 | N493-C496 WeakPolarHBondContact O-CB 3.31Å; N493-C496 PolarHBondContact O-N 2.93Å; Q494-C496 VanDerWaalsContact C-N 3.31Å; Q494-C496 PolarHBondContact O-N 2.65Å; C496-L499 WeakPolarHBondContact O-CB 3.48Å; C496-L499 PolarHBondContact O-N 2.98Å; C496-I500 WeakPolarHBondContact O-CG1 3.32Å; C496-I500 PolarHBondContact O-N 2.96Å; C496-H537 HydrophobicContact CB-CB 4.49Å; C496-I551 PolarHBondContact SG-O 2.72Å; C496-I551 VanDerWaalsContact SG-O 3.41Å |
| 497 | I | 92.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.3 | -69.2 | 166.3 | 0 | 0 | 0 | 110.8 | E460 K461 Q464 N493 Q494 L499 I500 E501 | E460-I497 HydrophobicContact CB-CD1 4.41Å; E460-I497 HydrophobicContact CB-CG1 3.94Å; K461-I497 HydrophobicContact CD-CD1 4.25Å; K461-I497 HydrophobicContact CD-CG2 4.22Å; K461-I497 VanDerWaalsContact CE-CG2 3.49Å; K461-I497 VanDerWaalsContact NZ-CG2 3.32Å; Q464-I497 HydrophobicContact CB-CD1 3.76Å; Q464-I497 HydrophobicContact CG-CD1 4.16Å; N493-I497 PolarHBondContact O-N 3.39Å; N493-I497 VanDerWaalsContact O-N 3.11Å; Q494-I497 CarbonylContact O-C 3.3Å; Q494-I497 WeakPolarHBondContact O-CB 3.48Å; Q494-I497 PolarHBondContact O-N 3.49Å; Q494-I497 VanDerWaalsContact O-N 3.15Å; I497-L499 PolarHBondContact O-N 2.94Å; I497-I500 PolarHBondContact O-N 3.47Å; I497-I500 VanDerWaalsContact O-N 3.08Å; I497-E501 HydrophobicContact CG2-CG 4.03Å; I497-E501 WeakPolarHBondContact O-CG 3.13Å; I497-E501 PolarHBondContact O-N 2.77Å |
| 498 | D | 91.9 | Very high | 85 | Confident | 68 Ų | 68 | 47.2 Ų | 47.2 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 175.7 | -80.2 | -40.4 | 0 | 0 | 0 | 112.1 | Q494 I500 A502 | Q494-D498 PolarHBondContact NE2-OD1 2.76Å; Q494-D498 PolarHBondContact NE2-OD2 3.34Å; Q494-D498 PolarHBondContact O-N 2.82Å; D498-I500 PolarHBondContact O-N 2.96Å; D498-A502 HydrophobicContact CB-CB 4.11Å; D498-A502 WeakPolarHBondContact O-CA 3.35Å; D498-A502 WeakPolarHBondContact O-CB 3.33Å; D498-A502 PolarHBondContact O-N 2.94Å |
| 499 | L | 93.8 | Very high | 86.4 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.4 | -35.3 | 172.3 | 172.3 | 64.5 | 0 | 0 | 0 | 111.8 | P495 C496 I497 G505 I506 H532 H537 F538 | P495-L499 PolarHBondContact O-N 2.99Å; C496-L499 WeakPolarHBondContact O-CB 3.48Å; C496-L499 PolarHBondContact O-N 2.98Å; I497-L499 PolarHBondContact O-N 2.94Å; L499-G505 CarbonylContact O-C 3.56Å; L499-G505 VanDerWaalsContact O-CA 3.3Å; L499-G505 WeakPolarHBondContact O-CA 3.13Å; L499-I506 HydrophobicContact CD1-CD1 4.23Å; L499-I506 HydrophobicContact CD1-CG1 4.28Å; L499-I506 HydrophobicContact CD2-CD1 4.39Å; L499-I506 HydrophobicContact CG-CD1 3.91Å; L499-I506 HydrophobicContact CG-CG1 4.36Å; L499-I506 WeakPolarHBondContact O-CG1 3.18Å; L499-I506 PolarHBondContact O-N 2.89Å; L499-H532 HydrophobicContact CD1-CB 4.01Å; L499-H532 WeakPolarHBondContact CD1-ND1 3.44Å; L499-H537 HydrophobicContact CD2-CB 3.73Å; L499-F538 HydrophobicContact CD1-CB 4.29Å; L499-F538 HydrophobicContact CD1-CD2 4.47Å; L499-F538 HydrophobicContact CD2-CB 3.92Å |
| 500 | I | 93.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -83.6 | -51.4 | -179.4 | -66 | 164.8 | 0 | 0 | 0 | 112 | F453 Y457 C496 I497 D498 L507 I550 | F453-I500 HydrophobicContact CE2-CG1 4.26Å; F453-I500 HydrophobicContact CE2-CG2 4.42Å; F453-I500 HydrophobicContact CZ-CG1 4.5Å; F453-I500 HydrophobicContact CZ-CG2 3.89Å; Y457-I500 HydrophobicContact CD1-CG2 3.83Å; Y457-I500 HydrophobicContact CD2-CB 4.38Å; Y457-I500 HydrophobicContact CD2-CD1 4.42Å; Y457-I500 HydrophobicContact CD2-CG2 3.69Å; Y457-I500 HydrophobicContact CE1-CG2 4.26Å; Y457-I500 HydrophobicContact CE2-CG2 4.09Å; Y457-I500 HydrophobicContact CG-CG2 3.59Å; C496-I500 WeakPolarHBondContact O-CG1 3.32Å; C496-I500 PolarHBondContact O-N 2.96Å; I497-I500 PolarHBondContact O-N 3.47Å; I497-I500 VanDerWaalsContact O-N 3.08Å; D498-I500 PolarHBondContact O-N 2.96Å; I500-L507 HydrophobicContact CG2-CD1 3.95Å; I500-L507 HydrophobicContact CG2-CG 4.29Å; I500-L507 WeakPolarHBondContact O-CB 3.46Å; I500-L507 PolarHBondContact O-N 3.38Å; I500-L507 VanDerWaalsContact O-N 3.1Å; I500-I550 HydrophobicContact CD1-CD1 4.46Å; I500-I550 HydrophobicContact CG1-CD1 4.26Å |
| 501 | E | 92.4 | Very high | 88.8 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -108.1 | -12.4 | -166.5 | 87.3 | 178 | -159.2 | 0 | 0 | 115.5 | Y457 K461 I497 R631 H635 | Y457-E501 HydrophobicContact CE2-CB 4.16Å; Y457-E501 WeakPolarHBondContact CE2-OE2 3.49Å; Y457-E501 VanDerWaalsContact CZ-OE2 3.32Å; Y457-E501 WeakPolarHBondContact OH-CB 3.43Å; Y457-E501 PolarHBondContact OH-OE2 3.1Å; K461-E501 VanDerWaalsContact CE-CD 3.47Å; K461-E501 WeakPolarHBondContact CE-OE1 3.35Å; K461-E501 WeakPolarHBondContact CE-OE2 3.46Å; K461-E501 VanDerWaalsContact NZ-CD 3.28Å; K461-E501 IonicContact NZ-OE1 2.67Å; K461-E501 PolarHBondContact NZ-OE1 2.83Å; K461-E501 IonicContact NZ-OE2 2.88Å; K461-E501 PolarHBondContact NZ-OE2 3.23Å; I497-E501 HydrophobicContact CG2-CG 4.03Å; I497-E501 WeakPolarHBondContact O-CG 3.13Å; I497-E501 PolarHBondContact O-N 2.77Å; E501-R631 PolarHBondContact O-NH1 3.21Å; E501-R631 PolarHBondContact O-NH2 3.42Å; E501-R631 IonicContact OE1-NH2 2.72Å; E501-H635 IonicContact OE1-CE1 3.95Å |
| 502 | A | 90.9 | Very high | 89.7 | Confident | 31 Ų | 31 | 37 Ų | 37 | 26% | 0.256 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -68.2 | 167.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D498 L504 G505 | D498-A502 HydrophobicContact CB-CB 4.11Å; D498-A502 WeakPolarHBondContact O-CA 3.35Å; D498-A502 WeakPolarHBondContact O-CB 3.33Å; D498-A502 PolarHBondContact O-N 2.94Å; A502-L504 PolarHBondContact O-N 3.09Å; A502-G505 WeakPolarHBondContact O-CA 3.31Å; A502-G505 PolarHBondContact O-N 3.21Å |
| 503 | R | 85 | Confident | 90.2 | Very high | 224 Ų | 224 | 33.9 Ų | 33.9 | 85% | 0.845 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | 133 | 171.8 | -168 | -179.9 | -178.2 | -176.8 | -1.4 | 109.3 | G505 D508 | R503-G505 PolarHBondContact O-N 3.1Å; R503-D508 WeakPolarHBondContact CA-OD2 3.33Å; R503-D508 WeakPolarHBondContact CG-OD2 3.2Å |
| 504 | L | 87.4 | Confident | 90 | Very high | 76 Ų | 76 | 34.5 Ų | 34.5 | 40% | 0.398 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 19.3 | -164.1 | -49.2 | 175.6 | 0 | 0 | 0 | 114.5 | A502 D508 L509 H532 | A502-L504 PolarHBondContact O-N 3.09Å; L504-D508 PolarHBondContact N-OD2 3.24Å; L504-L509 HydrophobicContact CD2-CD2 4.47Å; L504-H532 PolarHBondContact O-CE1 3.41Å; L504-H532 PolarHBondContact O-NE2 2.68Å |
| 505 | G | 90.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -82.5 | 178.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L499 A502 R503 L507 D508 L509 | L499-G505 CarbonylContact O-C 3.56Å; L499-G505 VanDerWaalsContact O-CA 3.3Å; L499-G505 WeakPolarHBondContact O-CA 3.13Å; A502-G505 WeakPolarHBondContact O-CA 3.31Å; A502-G505 PolarHBondContact O-N 3.21Å; R503-G505 PolarHBondContact O-N 3.1Å; G505-L507 PolarHBondContact O-N 3.18Å; G505-D508 PolarHBondContact O-N 3.39Å; G505-D508 VanDerWaalsContact O-N 3.13Å; G505-L509 WeakPolarHBondContact O-CG 3.16Å; G505-L509 PolarHBondContact O-N 3.47Å |
| 506 | I | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.3 | -45.4 | -172 | -62.7 | 171.3 | 0 | 0 | 0 | 112.1 | F453 L499 L510 W524 L528 F548 I550 | F453-I506 HydrophobicContact CE1-CG2 4.49Å; F453-I506 HydrophobicContact CE2-CB 4.38Å; F453-I506 HydrophobicContact CE2-CD1 4.28Å; F453-I506 HydrophobicContact CE2-CG2 3.79Å; F453-I506 HydrophobicContact CZ-CB 4.11Å; F453-I506 HydrophobicContact CZ-CG2 3.58Å; L499-I506 HydrophobicContact CD1-CD1 4.23Å; L499-I506 HydrophobicContact CD1-CG1 4.28Å; L499-I506 HydrophobicContact CD2-CD1 4.39Å; L499-I506 HydrophobicContact CG-CD1 3.91Å; L499-I506 HydrophobicContact CG-CG1 4.36Å; L499-I506 WeakPolarHBondContact O-CG1 3.18Å; L499-I506 PolarHBondContact O-N 2.89Å; I506-L510 WeakPolarHBondContact O-CB 3.46Å; I506-L510 PolarHBondContact O-N 3.38Å; I506-W524 HydrophobicContact CG2-CH2 4.41Å; I506-W524 HydrophobicContact CG2-CZ2 3.8Å; I506-L528 HydrophobicContact CB-CD2 4.35Å; I506-L528 HydrophobicContact CG1-CD2 4.13Å; I506-L528 HydrophobicContact CG2-CD2 4.2Å; I506-F548 HydrophobicContact CD1-CE2 4.33Å; I506-I550 HydrophobicContact CD1-CD1 3.6Å; I506-I550 HydrophobicContact CD1-CG1 4.11Å |
| 507 | L | 91.1 | Very high | 87.8 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.6 | -39.9 | 178.1 | -78.5 | 171.9 | 0 | 0 | 0 | 113 | F453 Y457 I500 G505 L510 D511 | F453-L507 HydrophobicContact CE1-CD2 3.77Å; F453-L507 HydrophobicContact CE1-CG 4.02Å; F453-L507 HydrophobicContact CZ-CD2 4.43Å; F453-L507 HydrophobicContact CZ-CG 4.22Å; Y457-L507 HydrophobicContact CD1-CD1 3.98Å; Y457-L507 HydrophobicContact CE1-CD1 3.66Å; I500-L507 HydrophobicContact CG2-CD1 3.95Å; I500-L507 HydrophobicContact CG2-CG 4.29Å; I500-L507 WeakPolarHBondContact O-CB 3.46Å; I500-L507 PolarHBondContact O-N 3.38Å; I500-L507 VanDerWaalsContact O-N 3.1Å; G505-L507 PolarHBondContact O-N 3.18Å; L507-L510 PolarHBondContact O-N 2.92Å; L507-D511 WeakPolarHBondContact O-CB 3.43Å; L507-D511 PolarHBondContact O-N 2.83Å |
| 508 | D | 90.3 | Very high | 87 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69 | -40.7 | -178.9 | -164 | 37.5 | 0 | 0 | 0 | 110.7 | R503 L504 G505 D511 E512 | R503-D508 WeakPolarHBondContact CA-OD2 3.33Å; R503-D508 WeakPolarHBondContact CG-OD2 3.2Å; L504-D508 PolarHBondContact N-OD2 3.24Å; G505-D508 PolarHBondContact O-N 3.39Å; G505-D508 VanDerWaalsContact O-N 3.13Å; D508-D511 PolarHBondContact O-N 2.94Å; D508-E512 WeakPolarHBondContact O-CG 3.38Å; D508-E512 PolarHBondContact O-N 3.11Å |
| 509 | L | 90.9 | Very high | 86.4 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.1 | -35.5 | 174 | -68.3 | 174.4 | 0 | 0 | 0 | 112.9 | L504 G505 E512 E513 L528 Q531 H532 | L504-L509 HydrophobicContact CD2-CD2 4.47Å; G505-L509 WeakPolarHBondContact O-CG 3.16Å; G505-L509 PolarHBondContact O-N 3.47Å; L509-E512 PolarHBondContact O-N 3.03Å; L509-E513 PolarHBondContact O-N 3.31Å; L509-L528 HydrophobicContact CB-CD2 4.34Å; L509-L528 HydrophobicContact CD1-CD2 3.94Å; L509-Q531 HydrophobicContact CD1-CB 4.09Å; L509-Q531 HydrophobicContact CD1-CG 4.16Å; L509-H532 WeakPolarHBondContact CD1-NE2 3.12Å |
| 510 | L | 90.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -46.9 | 173.4 | -178.2 | 62.1 | 0 | 0 | 0 | 110.6 | F450 I506 L507 E512 E513 C514 W524 F564 L565 N568 | F450-L510 HydrophobicContact CD2-CD2 4.12Å; F450-L510 HydrophobicContact CE2-CD2 3.74Å; I506-L510 WeakPolarHBondContact O-CB 3.46Å; I506-L510 PolarHBondContact O-N 3.38Å; L507-L510 PolarHBondContact O-N 2.92Å; L510-E512 VanDerWaalsContact C-N 3.28Å; L510-E512 PolarHBondContact O-N 3.37Å; L510-E513 PolarHBondContact O-N 2.69Å; L510-C514 WeakPolarHBondContact O-CB 3.11Å; L510-C514 PolarHBondContact O-N 2.66Å; L510-C514 PolarHBondContact O-SG 3.45Å; L510-W524 VanDerWaalsContact CA-NE1 3.26Å; L510-W524 HydrophobicContact CB-CZ2 3.86Å; L510-W524 HydrophobicContact CD1-CD2 3.87Å; L510-W524 HydrophobicContact CD1-CE3 4.26Å; L510-W524 HydrophobicContact CD1-CG 4.32Å; L510-W524 HydrophobicContact CD1-CH2 4.29Å; L510-W524 HydrophobicContact CD1-CZ2 3.87Å; L510-W524 HydrophobicContact CD1-CZ3 4.46Å; L510-W524 HydrophobicContact CD2-CZ2 4.27Å; L510-W524 HydrophobicContact CG-CZ2 4.2Å; L510-F564 HydrophobicContact CD1-CB 4.07Å; L510-F564 HydrophobicContact CD2-CD1 4.03Å; L510-L565 HydrophobicContact CD1-CD1 3.68Å; L510-L565 HydrophobicContact CD1-CG 4.34Å; L510-N568 HydrophobicContact CD2-CB 3.79Å; L510-N568 HydrophobicContact CG-CB 4.09Å |
| 511 | D | 85.8 | Confident | 85.8 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 10% | 0.096 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -32.6 | 174.9 | -85.8 | 3.3 | 0 | 0 | 0 | 112.2 | L507 D508 K515 N568 T625 | L507-D511 WeakPolarHBondContact O-CB 3.43Å; L507-D511 PolarHBondContact O-N 2.83Å; D508-D511 PolarHBondContact O-N 2.94Å; D511-K515 WeakPolarHBondContact O-CD 3.49Å; D511-K515 WeakPolarHBondContact O-CE 3.41Å; D511-K515 VanDerWaalsContact O-CG 3.26Å; D511-K515 WeakPolarHBondContact O-CG 3.18Å; D511-K515 PolarHBondContact O-NZ 3.1Å; D511-N568 PolarHBondContact OD1-ND2 3.35Å; D511-T625 WeakPolarHBondContact OD1-CB 3.38Å; D511-T625 WeakPolarHBondContact OD1-CG2 3.14Å; D511-T625 PolarHBondContact OD1-OG1 3.28Å; D511-T625 PolarHBondContact OD2-OG1 2.97Å |
| 512 | E | 86.9 | Confident | 85.6 | Confident | 87 Ų | 87 | 58 Ų | 58 | 41% | 0.407 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.8 | -50.6 | 171.1 | -78.3 | -157.6 | 154.6 | 0 | 0 | 112.3 | D508 L509 L510 C514 K515 | D508-E512 WeakPolarHBondContact O-CG 3.38Å; D508-E512 PolarHBondContact O-N 3.11Å; L509-E512 PolarHBondContact O-N 3.03Å; L510-E512 VanDerWaalsContact C-N 3.28Å; L510-E512 PolarHBondContact O-N 3.37Å; E512-C514 VanDerWaalsContact C-N 3.3Å; E512-C514 PolarHBondContact O-N 3.27Å; E512-K515 WeakPolarHBondContact O-CB 3.37Å; E512-K515 PolarHBondContact O-N 3.05Å |
| 513 | E | 87.6 | Confident | 85.5 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.5 | -32.5 | -178.9 | -160.7 | 69.8 | -174.7 | 0 | 0 | 112.2 | L509 L510 K515 V516 G519 N523 W524 K527 L565 | L509-E513 PolarHBondContact O-N 3.31Å; L510-E513 PolarHBondContact O-N 2.69Å; E513-K515 PolarHBondContact O-N 3.12Å; E513-K515 VanDerWaalsContact O-N 3.16Å; E513-V516 WeakPolarHBondContact O-CB 3.33Å; E513-V516 PolarHBondContact O-N 3.12Å; E513-G519 WeakPolarHBondContact OE1-CA 3.25Å; E513-N523 VanDerWaalsContact OE1-CB 3.24Å; E513-N523 WeakPolarHBondContact OE1-CB 3.47Å; E513-W524 HydrophobicContact CB-CB 4.25Å; E513-W524 HydrophobicContact CG-CB 4.14Å; E513-K527 WeakPolarHBondContact OE2-CE 3.22Å; E513-K527 IonicContact OE2-NZ 2.84Å; E513-K527 PolarHBondContact OE2-NZ 2.99Å; E513-L565 HydrophobicContact CB-CD1 4.47Å; E513-L565 HydrophobicContact CB-CD2 4.35Å; E513-L565 HydrophobicContact CG-CD1 4.45Å; E513-L565 HydrophobicContact CG-CD2 3.85Å |
| 514 | C | 82.8 | Confident | 85.9 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 10% | 0.095 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.3 | -32.5 | 171.9 | -73.7 | 0 | 0 | 0 | 0 | 112.7 | L510 E512 N568 R569 T625 | L510-C514 WeakPolarHBondContact O-CB 3.11Å; L510-C514 PolarHBondContact O-N 2.66Å; L510-C514 PolarHBondContact O-SG 3.45Å; E512-C514 VanDerWaalsContact C-N 3.3Å; E512-C514 PolarHBondContact O-N 3.27Å; C514-N568 PolarHBondContact SG-ND2 3.33Å; C514-N568 VanDerWaalsContact SG-ND2 3.36Å; C514-R569 HydrophobicContact CB-CG 4.04Å; C514-R569 PolarHBondContact O-NE 3.04Å; C514-R569 PolarHBondContact O-NH2 3.33Å; C514-T625 HydrophobicContact CB-CG2 4.42Å |
| 515 | K | 79.5 | Confident | 86.1 | Confident | 139 Ų | 139 | 46 Ų | 46 | 60% | 0.604 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -13.7 | 178.3 | -60.8 | 159.5 | -167.2 | 123.9 | 0 | 113.3 | D511 E512 E513 | D511-K515 WeakPolarHBondContact O-CD 3.49Å; D511-K515 WeakPolarHBondContact O-CE 3.41Å; D511-K515 VanDerWaalsContact O-CG 3.26Å; D511-K515 WeakPolarHBondContact O-CG 3.18Å; D511-K515 PolarHBondContact O-NZ 3.1Å; E512-K515 WeakPolarHBondContact O-CB 3.37Å; E512-K515 PolarHBondContact O-N 3.05Å; E513-K515 PolarHBondContact O-N 3.12Å; E513-K515 VanDerWaalsContact O-N 3.16Å |
| 516 | V | 79.9 | Confident | 86 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -79.1 | 123.3 | 179.9 | -179 | 0 | 0 | 0 | 0 | 109.7 | E513 K518 G519 R569 | E513-V516 WeakPolarHBondContact O-CB 3.33Å; E513-V516 PolarHBondContact O-N 3.12Å; V516-K518 PolarHBondContact O-N 2.76Å; V516-G519 PolarHBondContact O-N 3.4Å; V516-R569 PolarHBondContact O-NH2 3.1Å |
| 517 | P | 66.2 | Low | 85.9 | Confident | 133 Ų | 133 | 53.8 Ų | 53.8 | 86% | 0.864 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.2 | -175.6 | -26.1 | 35.7 | 0 | 0 | 0 | 116.1 | ||
| 518 | K | 76.6 | Confident | 86 | Confident | 186 Ų | 186 | 53.5 Ų | 53.5 | 81% | 0.809 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.1 | 28.3 | 171.6 | -65 | -167.9 | 175.7 | -170.8 | 0 | 112 | V516 | V516-K518 PolarHBondContact O-N 2.76Š|
| 519 | G | 79.8 | Confident | 86 | Confident | 8 Ų | 8 | 52 Ų | 52 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | trans | -72.5 | 136.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E513 V516 L565 | E513-G519 WeakPolarHBondContact OE1-CA 3.25Å; V516-G519 PolarHBondContact O-N 3.4Å; G519-L565 VanDerWaalsContact C-CD2 3.44Å; G519-L565 WeakPolarHBondContact O-CD2 3.48Å | ||
| 520 | T | 86 | Confident | 86 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 34% | 0.344 | 30% | 0.3 | S | S | . | . | trans | -131 | 160.4 | -179.3 | 68.4 | 0 | 0 | 0 | 0 | 110.9 | Q522 N523 W524 | T520-Q522 PolarHBondContact O-N 3.15Å; T520-Q522 PolarHBondContact OG1-OE1 2.78Å; T520-N523 PolarHBondContact O-N 3.02Å; T520-N523 VanDerWaalsContact O-N 3.09Å; T520-N523 PolarHBondContact OG1-N 2.96Å; T520-W524 PolarHBondContact O-N 2.81Å | ||
| 521 | D | 87.6 | Confident | 86 | Confident | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.2 | -32.2 | 178.3 | -60.4 | -44 | 0 | 0 | 0 | 112.5 | W524 A525 C561 G563 F564 L565 | D521-W524 PolarHBondContact O-N 3.34Å; D521-A525 WeakPolarHBondContact O-CB 3.47Å; D521-A525 PolarHBondContact O-N 2.9Å; D521-C561 HydrophobicContact CB-CB 4.16Å; D521-C561 VanDerWaalsContact CB-O 3.29Å; D521-C561 WeakPolarHBondContact CB-O 3Å; D521-G563 PolarHBondContact OD2-N 2.87Å; D521-F564 PolarHBondContact OD1-N 3.36Å; D521-L565 WeakPolarHBondContact OD1-CB 3.47Å; D521-L565 WeakPolarHBondContact OD1-CD1 3.26Å; D521-L565 PolarHBondContact OD1-N 3.07Å |
| 522 | Q | 89 | Confident | 86.3 | Confident | 95 Ų | 95 | 65 Ų | 65 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 174.2 | -58 | 79.2 | 12.1 | 0 | 0 | 112 | T520 W524 A525 Q526 T546 | T520-Q522 PolarHBondContact O-N 3.15Å; T520-Q522 PolarHBondContact OG1-OE1 2.78Å; Q522-W524 VanDerWaalsContact C-N 3.32Å; Q522-W524 PolarHBondContact O-N 2.66Å; Q522-A525 PolarHBondContact O-N 3.44Å; Q522-Q526 WeakPolarHBondContact O-CG 3.38Å; Q522-Q526 PolarHBondContact O-N 2.85Å; Q522-T546 HydrophobicContact CG-CG2 4.29Å |
| 523 | N | 89.6 | Confident | 86.2 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 43% | 0.428 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 175.4 | -71.3 | -13.3 | 0 | 0 | 0 | 111.1 | E513 T520 Q526 K527 | E513-N523 VanDerWaalsContact OE1-CB 3.24Å; E513-N523 WeakPolarHBondContact OE1-CB 3.47Å; T520-N523 PolarHBondContact O-N 3.02Å; T520-N523 VanDerWaalsContact O-N 3.09Å; T520-N523 PolarHBondContact OG1-N 2.96Å; N523-Q526 PolarHBondContact O-N 3.24Å; N523-K527 PolarHBondContact O-N 2.83Å |
| 524 | W | 93.1 | Very high | 86 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 174 | 178.5 | 63.3 | 0 | 0 | 0 | 111.9 | I506 L510 E513 T520 D521 Q522 Q526 K527 L528 F548 C561 F564 L565 | I506-W524 HydrophobicContact CG2-CH2 4.41Å; I506-W524 HydrophobicContact CG2-CZ2 3.8Å; L510-W524 VanDerWaalsContact CA-NE1 3.26Å; L510-W524 HydrophobicContact CB-CZ2 3.86Å; L510-W524 HydrophobicContact CD1-CD2 3.87Å; L510-W524 HydrophobicContact CD1-CE3 4.26Å; L510-W524 HydrophobicContact CD1-CG 4.32Å; L510-W524 HydrophobicContact CD1-CH2 4.29Å; L510-W524 HydrophobicContact CD1-CZ2 3.87Å; L510-W524 HydrophobicContact CD1-CZ3 4.46Å; L510-W524 HydrophobicContact CD2-CZ2 4.27Å; L510-W524 HydrophobicContact CG-CZ2 4.2Å; E513-W524 HydrophobicContact CB-CB 4.25Å; E513-W524 HydrophobicContact CG-CB 4.14Å; T520-W524 PolarHBondContact O-N 2.81Å; D521-W524 PolarHBondContact O-N 3.34Å; Q522-W524 VanDerWaalsContact C-N 3.32Å; Q522-W524 PolarHBondContact O-N 2.66Å; W524-Q526 VanDerWaalsContact C-N 3.31Å; W524-Q526 PolarHBondContact O-N 2.9Å; W524-K527 WeakPolarHBondContact O-CA 3.45Å; W524-K527 WeakPolarHBondContact O-CB 3.43Å; W524-K527 PolarHBondContact O-N 3.45Å; W524-L528 HydrophobicContact CD2-CD1 4.13Å; W524-L528 HydrophobicContact CD2-CG 4.35Å; W524-L528 HydrophobicContact CE3-CD1 4.33Å; W524-L528 HydrophobicContact CH2-CD1 3.9Å; W524-L528 HydrophobicContact CZ2-CD1 3.7Å; W524-L528 HydrophobicContact CZ2-CD2 4.22Å; W524-L528 HydrophobicContact CZ2-CG 4.29Å; W524-L528 HydrophobicContact CZ3-CD1 4.21Å; W524-L528 WeakPolarHBondContact O-CG 3.24Å; W524-L528 PolarHBondContact O-N 2.98Å; W524-F548 AromaticContact CH2-CE1 3.58Å; W524-F548 HydrophobicContact CH2-CE1 3.58Å; W524-F548 AromaticContact CH2-CZ 3.92Å; W524-F548 HydrophobicContact CH2-CZ 3.92Å; W524-F548 AromaticContact CZ3-CE1 3.81Å; W524-F548 HydrophobicContact CZ3-CE1 3.81Å; W524-C561 HydrophobicContact CE3-CB 4.04Å; W524-C561 HydrophobicContact CZ3-CB 3.95Å; W524-F564 HydrophobicContact CE3-CB 4.12Å; W524-F564 HydrophobicContact CH2-CB 4.11Å; W524-F564 AromaticContact CH2-CD1 3.22Å; W524-F564 HydrophobicContact CH2-CD1 3.22Å; W524-F564 AromaticContact CH2-CE1 3.66Å; W524-F564 HydrophobicContact CH2-CE1 3.66Å; W524-F564 AromaticContact CH2-CG 3.76Å; W524-F564 HydrophobicContact CH2-CG 3.76Å; W524-F564 HydrophobicContact CH2-CZ 4.5Å; W524-F564 HydrophobicContact CZ2-CD1 4.16Å; W524-F564 HydrophobicContact CZ3-CB 3.6Å; W524-F564 AromaticContact CZ3-CD1 3.56Å; W524-F564 HydrophobicContact CZ3-CD1 3.56Å; W524-F564 HydrophobicContact CZ3-CD2 4.23Å; W524-F564 HydrophobicContact CZ3-CE1 4.24Å; W524-F564 AromaticContact CZ3-CG 3.54Å; W524-F564 HydrophobicContact CZ3-CG 3.54Å; W524-L565 HydrophobicContact CB-CD1 3.79Å; W524-L565 HydrophobicContact CD2-CD1 4.35Å; W524-L565 HydrophobicContact CE3-CD1 4.48Å; W524-L565 HydrophobicContact CG-CD1 4.08Å |
| 525 | A | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D521 Q522 K527 L528 Y529 | D521-A525 WeakPolarHBondContact O-CB 3.47Å; D521-A525 PolarHBondContact O-N 2.9Å; Q522-A525 PolarHBondContact O-N 3.44Å; A525-K527 PolarHBondContact O-N 3.28Å; A525-L528 PolarHBondContact O-N 2.78Å; A525-Y529 HydrophobicContact CB-CE2 4.19Å; A525-Y529 WeakPolarHBondContact O-CD2 3.41Å; A525-Y529 PolarHBondContact O-N 3.41Å |
| 526 | Q | 89.6 | Confident | 86.6 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 176.3 | -62.3 | -58.6 | -33.7 | 0 | 0 | 112.9 | Q522 N523 W524 K530 | Q522-Q526 WeakPolarHBondContact O-CG 3.38Å; Q522-Q526 PolarHBondContact O-N 2.85Å; N523-Q526 PolarHBondContact O-N 3.24Å; W524-Q526 VanDerWaalsContact C-N 3.31Å; W524-Q526 PolarHBondContact O-N 2.9Å; Q526-K530 VanDerWaalsContact O-CB 3.28Å; Q526-K530 WeakPolarHBondContact O-CB 3.28Å; Q526-K530 PolarHBondContact O-N 3.46Å |
| 527 | K | 90.8 | Very high | 87.1 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 170.2 | -77.7 | 179.9 | 166.5 | -174.5 | 0 | 111.7 | E513 N523 W524 A525 K530 Q531 | E513-K527 WeakPolarHBondContact OE2-CE 3.22Å; E513-K527 IonicContact OE2-NZ 2.84Å; E513-K527 PolarHBondContact OE2-NZ 2.99Å; N523-K527 PolarHBondContact O-N 2.83Å; W524-K527 WeakPolarHBondContact O-CA 3.45Å; W524-K527 WeakPolarHBondContact O-CB 3.43Å; W524-K527 PolarHBondContact O-N 3.45Å; A525-K527 PolarHBondContact O-N 3.28Å; K527-K530 PolarHBondContact O-N 3.01Å; K527-Q531 WeakPolarHBondContact O-CB 2.91Å; K527-Q531 PolarHBondContact O-N 3.41Å |
| 528 | L | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.4 | -50.9 | 176.8 | -64.9 | -176.8 | 0 | 0 | 0 | 111.1 | I506 L509 W524 A525 K530 Q531 H532 F538 F548 | I506-L528 HydrophobicContact CB-CD2 4.35Å; I506-L528 HydrophobicContact CG1-CD2 4.13Å; I506-L528 HydrophobicContact CG2-CD2 4.2Å; L509-L528 HydrophobicContact CB-CD2 4.34Å; L509-L528 HydrophobicContact CD1-CD2 3.94Å; W524-L528 HydrophobicContact CD2-CD1 4.13Å; W524-L528 HydrophobicContact CD2-CG 4.35Å; W524-L528 HydrophobicContact CE3-CD1 4.33Å; W524-L528 HydrophobicContact CH2-CD1 3.9Å; W524-L528 HydrophobicContact CZ2-CD1 3.7Å; W524-L528 HydrophobicContact CZ2-CD2 4.22Å; W524-L528 HydrophobicContact CZ2-CG 4.29Å; W524-L528 HydrophobicContact CZ3-CD1 4.21Å; W524-L528 WeakPolarHBondContact O-CG 3.24Å; W524-L528 PolarHBondContact O-N 2.98Å; A525-L528 PolarHBondContact O-N 2.78Å; L528-K530 VanDerWaalsContact C-N 3.33Å; L528-K530 PolarHBondContact O-N 3.01Å; L528-Q531 PolarHBondContact O-N 2.95Å; L528-H532 WeakPolarHBondContact O-CB 3.48Å; L528-H532 PolarHBondContact O-N 2.85Å; L528-F538 HydrophobicContact CB-CE2 4.18Å; L528-F538 HydrophobicContact CB-CZ 3.88Å; L528-F548 HydrophobicContact CD1-CD1 3.75Å; L528-F548 HydrophobicContact CD1-CE1 4.01Å; L528-F548 HydrophobicContact CD1-CG 4.05Å |
| 529 | Y | 92.1 | Very high | 89.2 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 177.8 | -56.6 | -33.2 | 0 | 0 | 0 | 111.6 | A525 Q531 S533 F538 K540 N545 S547 F548 | A525-Y529 HydrophobicContact CB-CE2 4.19Å; A525-Y529 WeakPolarHBondContact O-CD2 3.41Å; A525-Y529 PolarHBondContact O-N 3.41Å; Y529-Q531 VanDerWaalsContact C-N 3.34Å; Y529-Q531 PolarHBondContact O-N 2.98Å; Y529-S533 VanDerWaalsContact O-CB 3.3Å; Y529-S533 WeakPolarHBondContact O-CB 3.48Å; Y529-S533 PolarHBondContact O-N 3.29Å; Y529-S533 PolarHBondContact O-OG 2.97Å; Y529-F538 HydrophobicContact CD1-CE1 4.04Å; Y529-F538 AromaticContact CD1-CZ 3.96Å; Y529-F538 HydrophobicContact CD1-CZ 3.96Å; Y529-F538 HydrophobicContact CE1-CZ 4.46Å; Y529-K540 HydrophobicContact CD1-CB 4.11Å; Y529-K540 HydrophobicContact CD1-CD 3.8Å; Y529-K540 HydrophobicContact CD1-CG 3.97Å; Y529-K540 HydrophobicContact CD2-CD 3.94Å; Y529-K540 HydrophobicContact CE1-CB 4.09Å; Y529-K540 HydrophobicContact CE1-CD 3.75Å; Y529-K540 HydrophobicContact CE1-CG 3.63Å; Y529-K540 HydrophobicContact CE2-CD 3.89Å; Y529-K540 HydrophobicContact CG-CD 3.91Å; Y529-N545 VanDerWaalsContact OH-C 3.24Å; Y529-N545 PolarHBondContact OH-O 3.12Å; Y529-S547 WeakPolarHBondContact CE1-O 3.27Å; Y529-S547 PolarHBondContact OH-O 3.38Å; Y529-F548 HydrophobicContact CE1-CB 4.48Å |
| 530 | K | 90.4 | Very high | 89.7 | Confident | 194 Ų | 194 | 58.3 Ų | 58.3 | 84% | 0.843 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.2 | -35.8 | -179.4 | -175.5 | 178.2 | 177.6 | -177.4 | 0 | 113.1 | Q526 K527 L528 | Q526-K530 VanDerWaalsContact O-CB 3.28Å; Q526-K530 WeakPolarHBondContact O-CB 3.28Å; Q526-K530 PolarHBondContact O-N 3.46Å; K527-K530 PolarHBondContact O-N 3.01Å; L528-K530 VanDerWaalsContact C-N 3.33Å; L528-K530 PolarHBondContact O-N 3.01Å |
| 531 | Q | 90.6 | Very high | 89.8 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 43% | 0.425 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -86.6 | -36.6 | -177.1 | -173.3 | 65.4 | 10.1 | 0 | 0 | 113.2 | L509 K527 L528 Y529 | L509-Q531 HydrophobicContact CD1-CB 4.09Å; L509-Q531 HydrophobicContact CD1-CG 4.16Å; K527-Q531 WeakPolarHBondContact O-CB 2.91Å; K527-Q531 PolarHBondContact O-N 3.41Å; L528-Q531 PolarHBondContact O-N 2.95Å; Y529-Q531 VanDerWaalsContact C-N 3.34Å; Y529-Q531 PolarHBondContact O-N 2.98Å |
| 532 | H | 90.8 | Very high | 89.6 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -115.9 | -2.2 | -164.4 | -59.2 | -56.7 | 0 | 0 | 0 | 116.1 | L499 L504 L509 L528 S534 S535 F538 | L499-H532 HydrophobicContact CD1-CB 4.01Å; L499-H532 WeakPolarHBondContact CD1-ND1 3.44Å; L504-H532 PolarHBondContact O-CE1 3.41Å; L504-H532 PolarHBondContact O-NE2 2.68Å; L509-H532 WeakPolarHBondContact CD1-NE2 3.12Å; L528-H532 WeakPolarHBondContact O-CB 3.48Å; L528-H532 PolarHBondContact O-N 2.85Å; H532-S534 PolarHBondContact O-N 2.86Å; H532-S535 WeakPolarHBondContact O-CB 3.31Å; H532-S535 PolarHBondContact O-N 3.22Å; H532-F538 HydrophobicContact CB-CB 3.97Å; H532-F538 HydrophobicContact CB-CD1 3.65Å; H532-F538 HydrophobicContact CB-CD2 3.92Å; H532-F538 HydrophobicContact CB-CE1 4.07Å; H532-F538 HydrophobicContact CB-CE2 4.3Å; H532-F538 HydrophobicContact CB-CG 3.57Å; H532-F538 HydrophobicContact CB-CZ 4.38Å; H532-F538 WeakPolarHBondContact O-CD1 3.41Å |
| 533 | S | 85.1 | Confident | 89.3 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 56% | 0.559 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -7.8 | 180 | -64.4 | 0 | 0 | 0 | 0 | 115.4 | Y529 | Y529-S533 VanDerWaalsContact O-CB 3.3Å; Y529-S533 WeakPolarHBondContact O-CB 3.48Å; Y529-S533 PolarHBondContact O-N 3.29Å; Y529-S533 PolarHBondContact O-OG 2.97Å |
| 534 | S | 84.6 | Confident | 88.9 | Confident | 118 Ų | 118 | 68.9 Ų | 68.9 | 83% | 0.825 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -5.5 | 172.5 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | H532 | H532-S534 PolarHBondContact O-N 2.86Š|
| 535 | S | 87 | Confident | 88.4 | Confident | 38 Ų | 38 | 73.3 Ų | 73.3 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | trans | -80.5 | 135.5 | 179.9 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | H532 H537 F538 | H532-S535 WeakPolarHBondContact O-CB 3.31Å; H532-S535 PolarHBondContact O-N 3.22Å; S535-H537 PolarHBondContact O-N 3.32Å; S535-H537 PolarHBondContact OG-N 3.26Å; S535-F538 PolarHBondContact O-N 3.06Å | ||
| 536 | G | 87.4 | Confident | 88.2 | Confident | 64 Ų | 64 | 76 Ų | 76 | 66% | 0.66 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | I551 | G536-I551 VanDerWaalsContact O-CD1 3.24Å; G536-I551 WeakPolarHBondContact O-CD1 3.37Å |
| 537 | H | 90.5 | Very high | 88.3 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 13% | 0.125 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -2.3 | -179.9 | -71.4 | -89.7 | 0 | 0 | 0 | 114.6 | Y491 C496 L499 S535 I550 I551 | Y491-H537 PolarHBondContact OH-CE1 3.5Å; C496-H537 HydrophobicContact CB-CB 4.49Å; L499-H537 HydrophobicContact CD2-CB 3.73Å; S535-H537 PolarHBondContact O-N 3.32Å; S535-H537 PolarHBondContact OG-N 3.26Å; H537-I550 WeakPolarHBondContact O-CA 3.28Å; H537-I551 PolarHBondContact ND1-O 2.99Å; H537-I551 PolarHBondContact O-N 2.66Å |
| 538 | F | 94.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.9 | -176.9 | -176 | -91.1 | 0 | 0 | 0 | 110.8 | L499 L528 Y529 H532 S535 F548 | L499-F538 HydrophobicContact CD1-CB 4.29Å; L499-F538 HydrophobicContact CD1-CD2 4.47Å; L499-F538 HydrophobicContact CD2-CB 3.92Å; L528-F538 HydrophobicContact CB-CE2 4.18Å; L528-F538 HydrophobicContact CB-CZ 3.88Å; Y529-F538 HydrophobicContact CD1-CE1 4.04Å; Y529-F538 AromaticContact CD1-CZ 3.96Å; Y529-F538 HydrophobicContact CD1-CZ 3.96Å; Y529-F538 HydrophobicContact CE1-CZ 4.46Å; H532-F538 HydrophobicContact CB-CB 3.97Å; H532-F538 HydrophobicContact CB-CD1 3.65Å; H532-F538 HydrophobicContact CB-CD2 3.92Å; H532-F538 HydrophobicContact CB-CE1 4.07Å; H532-F538 HydrophobicContact CB-CE2 4.3Å; H532-F538 HydrophobicContact CB-CG 3.57Å; H532-F538 HydrophobicContact CB-CZ 4.38Å; H532-F538 WeakPolarHBondContact O-CD1 3.41Å; S535-F538 PolarHBondContact O-N 3.06Å; F538-F548 HydrophobicContact CE2-CB 3.76Å; F538-F548 HydrophobicContact CE2-CD2 4.09Å; F538-F548 HydrophobicContact CE2-CG 4.18Å; F538-F548 HydrophobicContact CZ-CB 3.86Å |
| 539 | Q | 92 | Very high | 88.5 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.7 | 176.7 | -56.9 | -163.3 | -38.6 | 0 | 0 | 111.1 | I549 I551 | Q539-I549 HydrophobicContact CB-CB 4.08Å; Q539-I549 HydrophobicContact CB-CG2 4.28Å; Q539-I549 PolarHBondContact N-O 2.98Å; Q539-I549 WeakPolarHBondContact O-CB 3.45Å; Q539-I549 PolarHBondContact O-N 3.41Å; Q539-I551 HydrophobicContact CG-CD1 3.84Å; Q539-I551 HydrophobicContact CG-CG1 4.43Å |
| 540 | K | 89.6 | Confident | 88.6 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 35% | 0.348 | 36% | 0.363 | S | S | . | . | trans | -95 | 127.4 | 171.4 | 179.7 | 174.1 | 179.5 | 175.4 | 0 | 110 | Y529 S544 N545 | Y529-K540 HydrophobicContact CD1-CB 4.11Å; Y529-K540 HydrophobicContact CD1-CD 3.8Å; Y529-K540 HydrophobicContact CD1-CG 3.97Å; Y529-K540 HydrophobicContact CD2-CD 3.94Å; Y529-K540 HydrophobicContact CE1-CB 4.09Å; Y529-K540 HydrophobicContact CE1-CD 3.75Å; Y529-K540 HydrophobicContact CE1-CG 3.63Å; Y529-K540 HydrophobicContact CE2-CD 3.89Å; Y529-K540 HydrophobicContact CG-CD 3.91Å; K540-S544 VanDerWaalsContact CE-O 3.24Å; K540-S544 WeakPolarHBondContact CE-O 3.17Å; K540-N545 PolarHBondContact NZ-OD1 2.65Å | ||
| 541 | P | 89.2 | Confident | 88.6 | Confident | 14 Ų | 14 | 61.2 Ų | 61.2 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | trans | -57.1 | 140.6 | 170.2 | -24.5 | 34 | 0 | 0 | 0 | 112.2 | M543 S547 I549 E558 | P541-M543 VanDerWaalsContact C-N 3.34Å; P541-M543 PolarHBondContact O-N 2.85Å; P541-S547 WeakPolarHBondContact CD-O 3.44Å; P541-I549 HydrophobicContact CB-CD1 4.44Å; P541-I549 HydrophobicContact CG-CD1 3.84Å; P541-I549 HydrophobicContact CG-CG1 3.99Å; P541-E558 VanDerWaalsContact CG-CD 3.47Å; P541-E558 HydrophobicContact CG-CG 4.07Å; P541-E558 WeakPolarHBondContact CG-OE2 3.35Å | ||
| 542 | R | 83.9 | Confident | 88.5 | Confident | 253 Ų | 253 | 57.1 Ų | 57.1 | 96% | 0.955 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -68.2 | -29.8 | -176.6 | -81.3 | -178.2 | 169.1 | 163.8 | -3.3 | 114.3 | ||
| 543 | M | 81.6 | Confident | 88.1 | Confident | 186 Ų | 186 | 57.7 Ų | 57.7 | 92% | 0.916 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -106.7 | -5.4 | -171 | -57.7 | -61 | -75.8 | 0 | 0 | 113.6 | P541 | P541-M543 VanDerWaalsContact C-N 3.34Å; P541-M543 PolarHBondContact O-N 2.85Å |
| 544 | S | 81.5 | Confident | 87.8 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | trans | -119.6 | 150.2 | -175.2 | 174.9 | 0 | 0 | 0 | 0 | 112.3 | K540 T546 S547 | K540-S544 VanDerWaalsContact CE-O 3.24Å; K540-S544 WeakPolarHBondContact CE-O 3.17Å; S544-T546 PolarHBondContact OG-N 3.35Å; S544-T546 PolarHBondContact OG-OG1 3.36Å; S544-S547 WeakPolarHBondContact CB-OG 3.47Å; S544-S547 PolarHBondContact OG-N 2.99Å; S544-S547 PolarHBondContact OG-OG 2.9Å | ||
| 545 | N | 82.8 | Confident | 87.7 | Confident | 92 Ų | 92 | 53.6 Ų | 53.6 | 49% | 0.492 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -119.7 | 7.6 | 168.3 | -68.9 | -73.9 | 0 | 0 | 0 | 112.2 | Y529 K540 | Y529-N545 VanDerWaalsContact OH-C 3.24Å; Y529-N545 PolarHBondContact OH-O 3.12Å; K540-N545 PolarHBondContact NZ-OD1 2.65Å |
| 546 | T | 86.5 | Confident | 87.8 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 36% | 0.356 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -123.6 | 9.5 | -173.7 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | Q522 S544 C561 | Q522-T546 HydrophobicContact CG-CG2 4.29Å; S544-T546 PolarHBondContact OG-N 3.35Å; S544-T546 PolarHBondContact OG-OG1 3.36Å; T546-C561 VanDerWaalsContact O-CB 3.24Å; T546-C561 WeakPolarHBondContact O-CB 3.24Å; T546-C561 PolarHBondContact O-N 3.03Å; T546-C561 PolarHBondContact O-SG 3.08Å; T546-C561 VanDerWaalsContact O-SG 3.35Å |
| 547 | S | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 160.5 | 176.8 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | Y529 P541 S544 E558 Y559 | Y529-S547 WeakPolarHBondContact CE1-O 3.27Å; Y529-S547 PolarHBondContact OH-O 3.38Å; P541-S547 WeakPolarHBondContact CD-O 3.44Å; S544-S547 WeakPolarHBondContact CB-OG 3.47Å; S544-S547 PolarHBondContact OG-N 2.99Å; S544-S547 PolarHBondContact OG-OG 2.9Å; S547-E558 WeakPolarHBondContact CB-OE1 3.48Å; S547-E558 PolarHBondContact OG-OE1 3.49Å; S547-Y559 CarbonylContact C-O 3.56Å; S547-Y559 WeakPolarHBondContact CA-O 3.42Å; S547-Y559 WeakPolarHBondContact CB-O 3.4Å |
| 548 | F | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.9 | 176.7 | 62.6 | -83.6 | 0 | 0 | 0 | 110.7 | F453 I506 W524 L528 Y529 F538 I550 E558 Y559 C561 F564 | F453-F548 HydrophobicContact CD2-CE2 4.45Å; F453-F548 HydrophobicContact CD2-CZ 4.47Å; I506-F548 HydrophobicContact CD1-CE2 4.33Å; W524-F548 AromaticContact CH2-CE1 3.58Å; W524-F548 HydrophobicContact CH2-CE1 3.58Å; W524-F548 AromaticContact CH2-CZ 3.92Å; W524-F548 HydrophobicContact CH2-CZ 3.92Å; W524-F548 AromaticContact CZ3-CE1 3.81Å; W524-F548 HydrophobicContact CZ3-CE1 3.81Å; L528-F548 HydrophobicContact CD1-CD1 3.75Å; L528-F548 HydrophobicContact CD1-CE1 4.01Å; L528-F548 HydrophobicContact CD1-CG 4.05Å; Y529-F548 HydrophobicContact CE1-CB 4.48Å; F538-F548 HydrophobicContact CE2-CB 3.76Å; F538-F548 HydrophobicContact CE2-CD2 4.09Å; F538-F548 HydrophobicContact CE2-CG 4.18Å; F538-F548 HydrophobicContact CZ-CB 3.86Å; F548-I550 HydrophobicContact CD2-CG1 4.08Å; F548-I550 HydrophobicContact CE2-CD1 4Å; F548-I550 HydrophobicContact CE2-CG1 4.02Å; F548-E558 WeakPolarHBondContact O-CA 3.43Å; F548-Y559 HydrophobicContact CD2-CD2 4.17Å; F548-Y559 AromaticContact CE2-CD2 3.61Å; F548-Y559 HydrophobicContact CE2-CD2 3.61Å; F548-Y559 HydrophobicContact CE2-CE2 4.48Å; F548-Y559 HydrophobicContact CE2-CG 4.12Å; F548-Y559 HydrophobicContact CZ-CD2 4.06Å; F548-Y559 HydrophobicContact CZ-CG 4.1Å; F548-Y559 PolarHBondContact N-O 3.22Å; F548-Y559 PolarHBondContact O-N 2.9Å; F548-C561 VanDerWaalsContact CD1-SG 3.57Å; F548-F564 HydrophobicContact CE1-CE1 4.5Å; F548-F564 HydrophobicContact CE1-CZ 4.32Å; F548-F564 HydrophobicContact CZ-CE1 4.18Å; F548-F564 HydrophobicContact CZ-CZ 4.1Å |
| 549 | I | 94.1 | Very high | 88 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.6 | 178.4 | -66.2 | 160.8 | 0 | 0 | 0 | 109.4 | Q539 P541 K556 V557 E558 | Q539-I549 HydrophobicContact CB-CB 4.08Å; Q539-I549 HydrophobicContact CB-CG2 4.28Å; Q539-I549 PolarHBondContact N-O 2.98Å; Q539-I549 WeakPolarHBondContact O-CB 3.45Å; Q539-I549 PolarHBondContact O-N 3.41Å; P541-I549 HydrophobicContact CB-CD1 4.44Å; P541-I549 HydrophobicContact CG-CD1 3.84Å; P541-I549 HydrophobicContact CG-CG1 3.99Å; I549-K556 HydrophobicContact CG2-CB 3.97Å; I549-K556 HydrophobicContact CG2-CD 4.44Å; I549-V557 VanDerWaalsContact CA-O 3.29Å; I549-V557 WeakPolarHBondContact CA-O 3.33Å; I549-E558 HydrophobicContact CG1-CB 3.79Å; I549-E558 HydrophobicContact CG1-CG 3.99Å |
| 550 | I | 93.9 | Very high | 88 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 137 | 164.4 | -55.7 | -179.5 | 0 | 0 | 0 | 108.7 | F453 I500 I506 H537 F548 K556 V557 Y559 | F453-I550 HydrophobicContact CD2-CD1 3.9Å; F453-I550 HydrophobicContact CE2-CD1 3.67Å; I500-I550 HydrophobicContact CD1-CD1 4.46Å; I500-I550 HydrophobicContact CG1-CD1 4.26Å; I506-I550 HydrophobicContact CD1-CD1 3.6Å; I506-I550 HydrophobicContact CD1-CG1 4.11Å; H537-I550 WeakPolarHBondContact O-CA 3.28Å; F548-I550 HydrophobicContact CD2-CG1 4.08Å; F548-I550 HydrophobicContact CE2-CD1 4Å; F548-I550 HydrophobicContact CE2-CG1 4.02Å; I550-K556 WeakPolarHBondContact O-CA 3.33Å; I550-V557 PolarHBondContact N-O 3.36Å; I550-V557 PolarHBondContact O-N 2.97Å; I550-Y559 HydrophobicContact CB-CE2 4.15Å; I550-Y559 HydrophobicContact CD1-CD2 4.38Å; I550-Y559 HydrophobicContact CD1-CE2 3.9Å; I550-Y559 HydrophobicContact CG1-CD2 4.3Å; I550-Y559 HydrophobicContact CG1-CE2 3.98Å |
| 551 | I | 91 | Very high | 88 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 17% | 0.174 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 98.3 | 167.2 | -58.3 | 160.6 | 0 | 0 | 0 | 107 | C496 G536 H537 Q539 K556 | C496-I551 PolarHBondContact SG-O 2.72Å; C496-I551 VanDerWaalsContact SG-O 3.41Å; G536-I551 VanDerWaalsContact O-CD1 3.24Å; G536-I551 WeakPolarHBondContact O-CD1 3.37Å; H537-I551 PolarHBondContact ND1-O 2.99Å; H537-I551 PolarHBondContact O-N 2.66Å; Q539-I551 HydrophobicContact CG-CD1 3.84Å; Q539-I551 HydrophobicContact CG-CG1 4.43Å; I551-K556 HydrophobicContact CG1-CD 4.11Å; I551-K556 HydrophobicContact CG1-CG 4.04Å |
| 552 | H | 88.8 | Confident | 87.9 | Confident | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | trans | -82.4 | 172.5 | 174.2 | -70.9 | -75.2 | 0 | 0 | 0 | 111 | F442 E460 A554 D555 Y559 | F442-H552 HydrophobicContact CE2-CB 3.54Å; F442-H552 AromaticContact CE2-CD2 3.87Å; F442-H552 AromaticContact CE2-CG 3.61Å; F442-H552 HydrophobicContact CZ-CB 3.65Å; F442-H552 AromaticContact CZ-CD2 3.81Å; F442-H552 AromaticContact CZ-CG 3.85Å; E460-H552 WeakPolarHBondContact OE1-CA 3.47Å; E460-H552 WeakPolarHBondContact OE1-CB 3.37Å; E460-H552 IonicContact OE1-CG 2.68Å; E460-H552 IonicContact OE1-ND1 2.92Å; E460-H552 PolarHBondContact OE1-ND1 2.96Å; H552-A554 PolarHBondContact O-N 2.71Å; H552-D555 WeakPolarHBondContact CB-O 3.4Å; H552-D555 PolarHBondContact N-O 3.47Å; H552-D555 VanDerWaalsContact N-O 3.14Å; H552-Y559 AromaticContact NE2-CE2 3.81Å; H552-Y559 AromaticContact NE2-CZ 3.77Å; H552-Y559 PolarHBondContact NE2-OH 2.91Å | ||
| 553 | F | 81.8 | Confident | 87.6 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -58.9 | -27.9 | 173.4 | 80.1 | -93.1 | 0 | 0 | 0 | 113.3 | F442 N459 E460 Q463 Y491 A674 | F442-F553 HydrophobicContact CD2-CE1 4.39Å; N459-F553 HydrophobicContact CB-CE1 4.39Å; E460-F553 HydrophobicContact CG-CD1 4.49Å; E460-F553 PolarHBondContact OE1-N 2.85Å; Q463-F553 HydrophobicContact CB-CD1 4Å; Q463-F553 HydrophobicContact CB-CE1 3.88Å; Q463-F553 HydrophobicContact CB-CG 4.37Å; Q463-F553 HydrophobicContact CB-CZ 4.16Å; Q463-F553 HydrophobicContact CG-CD1 4.07Å; Q463-F553 HydrophobicContact CG-CD2 3.88Å; Q463-F553 HydrophobicContact CG-CE1 4.19Å; Q463-F553 HydrophobicContact CG-CE2 4.01Å; Q463-F553 HydrophobicContact CG-CG 3.93Å; Q463-F553 HydrophobicContact CG-CZ 4.16Å; Y491-F553 HydrophobicContact CE1-CB 4.02Å; F553-A674 WeakPolarHBondContact CE2-O 3.34Å; F553-A674 WeakPolarHBondContact CZ-O 3.07Å |
| 554 | A | 78.6 | Confident | 87.9 | Confident | 17 Ų | 17 | 37 Ų | 37 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -89.2 | -56.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | F442 H552 A674 | F442-A554 HydrophobicContact CD1-CB 3.76Å; F442-A554 HydrophobicContact CD2-CB 4.02Å; F442-A554 HydrophobicContact CE1-CB 3.7Å; F442-A554 HydrophobicContact CE2-CB 3.98Å; F442-A554 HydrophobicContact CG-CB 3.91Å; F442-A554 HydrophobicContact CZ-CB 3.82Å; H552-A554 PolarHBondContact O-N 2.71Å; A554-A674 HydrophobicContact CB-CB 4.43Å |
| 555 | D | 81.8 | Confident | 88 | Confident | 95 Ų | 95 | 36 Ų | 36 | 51% | 0.508 | 19% | 0.185 | S | C | . | . | trans | -162.4 | 179.9 | -179.7 | -153.2 | -13.8 | 0 | 0 | 0 | 110.6 | H552 | H552-D555 WeakPolarHBondContact CB-O 3.4Å; H552-D555 PolarHBondContact N-O 3.47Å; H552-D555 VanDerWaalsContact N-O 3.14Å | ||
| 556 | K | 88.9 | Confident | 87.6 | Confident | 102 Ų | 102 | 36.8 Ų | 36.8 | 44% | 0.443 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 128.4 | 170.5 | -54.6 | -163.9 | -179.6 | -174.9 | 0 | 110.7 | I549 I550 I551 | I549-K556 HydrophobicContact CG2-CB 3.97Å; I549-K556 HydrophobicContact CG2-CD 4.44Å; I550-K556 WeakPolarHBondContact O-CA 3.33Å; I551-K556 HydrophobicContact CG1-CD 4.11Å; I551-K556 HydrophobicContact CG1-CG 4.04Å |
| 557 | V | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.7 | 176.6 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | F442 T444 N448 I549 I550 Y559 | F442-V557 HydrophobicContact CE1-CG2 3.75Å; F442-V557 HydrophobicContact CZ-CG2 3.5Å; T444-V557 HydrophobicContact CG2-CG1 4.43Å; T444-V557 HydrophobicContact CG2-CG2 4.26Å; N448-V557 HydrophobicContact CB-CG1 3.97Å; I549-V557 VanDerWaalsContact CA-O 3.29Å; I549-V557 WeakPolarHBondContact CA-O 3.33Å; I550-V557 PolarHBondContact N-O 3.36Å; I550-V557 PolarHBondContact O-N 2.97Å; V557-Y559 HydrophobicContact CB-CE1 4.39Å; V557-Y559 HydrophobicContact CB-CE2 3.81Å; V557-Y559 HydrophobicContact CG1-CD1 4.08Å; V557-Y559 HydrophobicContact CG1-CD2 4.25Å; V557-Y559 HydrophobicContact CG1-CE1 3.52Å; V557-Y559 HydrophobicContact CG1-CE2 3.76Å; V557-Y559 HydrophobicContact CG1-CG 4.41Å |
| 558 | E | 93.8 | Very high | 86.7 | Confident | 66 Ų | 66 | 37.1 Ų | 37.1 | 31% | 0.308 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.6 | 169.2 | -172.9 | 169.6 | 149.2 | 0 | 0 | 110 | N448 P541 S547 F548 I549 Q560 | N448-E558 WeakPolarHBondContact CB-O 3.23Å; N448-E558 PolarHBondContact ND2-O 3.16Å; P541-E558 VanDerWaalsContact CG-CD 3.47Å; P541-E558 HydrophobicContact CG-CG 4.07Å; P541-E558 WeakPolarHBondContact CG-OE2 3.35Å; S547-E558 WeakPolarHBondContact CB-OE1 3.48Å; S547-E558 PolarHBondContact OG-OE1 3.49Å; F548-E558 WeakPolarHBondContact O-CA 3.43Å; I549-E558 HydrophobicContact CG1-CB 3.79Å; I549-E558 HydrophobicContact CG1-CG 3.99Å; E558-Q560 PolarHBondContact OE1-NE2 3.37Å |
| 559 | Y | 93.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.5 | 176.2 | -58.1 | -80.3 | 0 | 0 | 0 | 110.1 | N448 Q452 F453 N456 S547 F548 I550 H552 V557 | N448-Y559 HydrophobicContact CB-CD1 3.58Å; N448-Y559 HydrophobicContact CB-CE1 3.96Å; N448-Y559 HydrophobicContact CB-CG 4.42Å; N448-Y559 WeakPolarHBondContact O-CA 3.38Å; Q452-Y559 HydrophobicContact CB-CE1 4.1Å; F453-Y559 VanDerWaalsContact CA-CE1 3.45Å; F453-Y559 HydrophobicContact CB-CD1 3.84Å; F453-Y559 HydrophobicContact CB-CE1 3.68Å; F453-Y559 HydrophobicContact CB-CG 4.46Å; F453-Y559 HydrophobicContact CD2-CE2 4.31Å; F453-Y559 VanDerWaalsContact N-CE1 3.35Å; N456-Y559 WeakPolarHBondContact CB-OH 3.47Å; N456-Y559 PolarHBondContact ND2-OH 3Å; S547-Y559 CarbonylContact C-O 3.56Å; S547-Y559 WeakPolarHBondContact CA-O 3.42Å; S547-Y559 WeakPolarHBondContact CB-O 3.4Å; F548-Y559 HydrophobicContact CD2-CD2 4.17Å; F548-Y559 AromaticContact CE2-CD2 3.61Å; F548-Y559 HydrophobicContact CE2-CD2 3.61Å; F548-Y559 HydrophobicContact CE2-CE2 4.48Å; F548-Y559 HydrophobicContact CE2-CG 4.12Å; F548-Y559 HydrophobicContact CZ-CD2 4.06Å; F548-Y559 HydrophobicContact CZ-CG 4.1Å; F548-Y559 PolarHBondContact N-O 3.22Å; F548-Y559 PolarHBondContact O-N 2.9Å; I550-Y559 HydrophobicContact CB-CE2 4.15Å; I550-Y559 HydrophobicContact CD1-CD2 4.38Å; I550-Y559 HydrophobicContact CD1-CE2 3.9Å; I550-Y559 HydrophobicContact CG1-CD2 4.3Å; I550-Y559 HydrophobicContact CG1-CE2 3.98Å; H552-Y559 AromaticContact NE2-CE2 3.81Å; H552-Y559 AromaticContact NE2-CZ 3.77Å; H552-Y559 PolarHBondContact NE2-OH 2.91Å; V557-Y559 HydrophobicContact CB-CE1 4.39Å; V557-Y559 HydrophobicContact CB-CE2 3.81Å; V557-Y559 HydrophobicContact CG1-CD1 4.08Å; V557-Y559 HydrophobicContact CG1-CD2 4.25Å; V557-Y559 HydrophobicContact CG1-CE1 3.52Å; V557-Y559 HydrophobicContact CG1-CE2 3.76Å; V557-Y559 HydrophobicContact CG1-CG 4.41Å |
| 560 | Q | 91.8 | Very high | 84.6 | Confident | 56 Ų | 56 | 40.6 Ų | 40.6 | 26% | 0.262 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 124.6 | 172.2 | -60.4 | -56.8 | -36.8 | 0 | 0 | 109.4 | V447 N448 E558 E562 F564 | V447-Q560 HydrophobicContact CG1-CG 4.07Å; N448-Q560 PolarHBondContact O-N 3.03Å; E558-Q560 PolarHBondContact OE1-NE2 3.37Å; Q560-E562 PolarHBondContact O-N 2.96Å; Q560-F564 WeakPolarHBondContact O-CD2 3.29Å; Q560-F564 WeakPolarHBondContact O-CE2 3.46Å |
| 561 | C | 90.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | trans | -67.2 | -18.9 | -178.4 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | D521 W524 T546 F548 G563 F564 | D521-C561 HydrophobicContact CB-CB 4.16Å; D521-C561 VanDerWaalsContact CB-O 3.29Å; D521-C561 WeakPolarHBondContact CB-O 3Å; W524-C561 HydrophobicContact CE3-CB 4.04Å; W524-C561 HydrophobicContact CZ3-CB 3.95Å; T546-C561 VanDerWaalsContact O-CB 3.24Å; T546-C561 WeakPolarHBondContact O-CB 3.24Å; T546-C561 PolarHBondContact O-N 3.03Å; T546-C561 PolarHBondContact O-SG 3.08Å; T546-C561 VanDerWaalsContact O-SG 3.35Å; F548-C561 VanDerWaalsContact CD1-SG 3.57Å; C561-G563 PolarHBondContact O-N 2.81Å; C561-F564 WeakPolarHBondContact O-CB 3.39Å; C561-F564 PolarHBondContact O-N 3.11Å | ||
| 562 | E | 85.9 | Confident | 82.7 | Confident | 153 Ų | 153 | 44 Ų | 44 | 72% | 0.715 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 125.2 | -174.4 | -172 | 159.4 | -159.6 | 0 | 0 | 111.9 | Q560 F564 | Q560-E562 PolarHBondContact O-N 2.96Å; E562-F564 VanDerWaalsContact C-N 3.3Å; E562-F564 PolarHBondContact O-N 2.94Å |
| 563 | G | 78.9 | Confident | 82.4 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -2.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D521 C561 L565 E566 K567 | D521-G563 PolarHBondContact OD2-N 2.87Å; C561-G563 PolarHBondContact O-N 2.81Å; G563-L565 VanDerWaalsContact C-N 3.35Å; G563-L565 PolarHBondContact O-N 3.39Å; G563-E566 PolarHBondContact O-N 2.91Å; G563-K567 WeakPolarHBondContact O-CB 3.5Å; G563-K567 WeakPolarHBondContact O-CG 3.3Å; G563-K567 PolarHBondContact O-N 3.02Å |
| 564 | F | 86.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 179.3 | -98 | -112.1 | 0 | 0 | 0 | 112.1 | F450 F453 L510 D521 W524 F548 Q560 C561 E562 E566 N568 | F450-F564 VanDerWaalsContact CA-CZ 3.5Å; F450-F564 HydrophobicContact CB-CD1 4.07Å; F450-F564 HydrophobicContact CB-CD2 4.24Å; F450-F564 HydrophobicContact CB-CE1 4.04Å; F450-F564 HydrophobicContact CB-CE2 4.2Å; F450-F564 HydrophobicContact CB-CG 4.18Å; F450-F564 HydrophobicContact CB-CZ 4.12Å; F450-F564 AromaticContact CD2-CD1 3.65Å; F450-F564 HydrophobicContact CD2-CD1 3.65Å; F450-F564 AromaticContact CD2-CE1 3.76Å; F450-F564 HydrophobicContact CD2-CE1 3.76Å; F450-F564 HydrophobicContact CD2-CG 4.43Å; F450-F564 HydrophobicContact CG-CD1 4.32Å; F450-F564 HydrophobicContact CG-CE1 4.41Å; F450-F564 VanDerWaalsContact N-CE2 3.3Å; F453-F564 HydrophobicContact CB-CE1 4.2Å; F453-F564 HydrophobicContact CB-CZ 4.03Å; F453-F564 HydrophobicContact CD1-CE1 4.15Å; F453-F564 HydrophobicContact CG-CE1 4.14Å; F453-F564 HydrophobicContact CG-CZ 4.4Å; L510-F564 HydrophobicContact CD1-CB 4.07Å; L510-F564 HydrophobicContact CD2-CD1 4.03Å; D521-F564 PolarHBondContact OD1-N 3.36Å; W524-F564 HydrophobicContact CE3-CB 4.12Å; W524-F564 HydrophobicContact CH2-CB 4.11Å; W524-F564 AromaticContact CH2-CD1 3.22Å; W524-F564 HydrophobicContact CH2-CD1 3.22Å; W524-F564 AromaticContact CH2-CE1 3.66Å; W524-F564 HydrophobicContact CH2-CE1 3.66Å; W524-F564 AromaticContact CH2-CG 3.76Å; W524-F564 HydrophobicContact CH2-CG 3.76Å; W524-F564 HydrophobicContact CH2-CZ 4.5Å; W524-F564 HydrophobicContact CZ2-CD1 4.16Å; W524-F564 HydrophobicContact CZ3-CB 3.6Å; W524-F564 AromaticContact CZ3-CD1 3.56Å; W524-F564 HydrophobicContact CZ3-CD1 3.56Å; W524-F564 HydrophobicContact CZ3-CD2 4.23Å; W524-F564 HydrophobicContact CZ3-CE1 4.24Å; W524-F564 AromaticContact CZ3-CG 3.54Å; W524-F564 HydrophobicContact CZ3-CG 3.54Å; F548-F564 HydrophobicContact CE1-CE1 4.5Å; F548-F564 HydrophobicContact CE1-CZ 4.32Å; F548-F564 HydrophobicContact CZ-CE1 4.18Å; F548-F564 HydrophobicContact CZ-CZ 4.1Å; Q560-F564 WeakPolarHBondContact O-CD2 3.29Å; Q560-F564 WeakPolarHBondContact O-CE2 3.46Å; C561-F564 WeakPolarHBondContact O-CB 3.39Å; C561-F564 PolarHBondContact O-N 3.11Å; E562-F564 VanDerWaalsContact C-N 3.3Å; E562-F564 PolarHBondContact O-N 2.94Å; F564-E566 PolarHBondContact O-N 2.77Å; F564-N568 WeakPolarHBondContact O-CB 3.36Å; F564-N568 PolarHBondContact O-N 2.94Å |
| 565 | L | 83.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 177.5 | -93.3 | 70.1 | 0 | 0 | 0 | 112.2 | L510 E513 G519 D521 W524 G563 R569 | L510-L565 HydrophobicContact CD1-CD1 3.68Å; L510-L565 HydrophobicContact CD1-CG 4.34Å; E513-L565 HydrophobicContact CB-CD1 4.47Å; E513-L565 HydrophobicContact CB-CD2 4.35Å; E513-L565 HydrophobicContact CG-CD1 4.45Å; E513-L565 HydrophobicContact CG-CD2 3.85Å; G519-L565 VanDerWaalsContact C-CD2 3.44Å; G519-L565 WeakPolarHBondContact O-CD2 3.48Å; D521-L565 WeakPolarHBondContact OD1-CB 3.47Å; D521-L565 WeakPolarHBondContact OD1-CD1 3.26Å; D521-L565 PolarHBondContact OD1-N 3.07Å; W524-L565 HydrophobicContact CB-CD1 3.79Å; W524-L565 HydrophobicContact CD2-CD1 4.35Å; W524-L565 HydrophobicContact CE3-CD1 4.48Å; W524-L565 HydrophobicContact CG-CD1 4.08Å; G563-L565 VanDerWaalsContact C-N 3.35Å; G563-L565 PolarHBondContact O-N 3.39Å; L565-R569 VanDerWaalsContact O-CB 3.23Å; L565-R569 WeakPolarHBondContact O-CB 3.33Å; L565-R569 WeakPolarHBondContact O-CD 3.36Å; L565-R569 WeakPolarHBondContact O-CG 3.35Å; L565-R569 PolarHBondContact O-N 3.07Å |
| 566 | E | 74.8 | Confident | 82.9 | Confident | 109 Ų | 109 | 44.1 Ų | 44.1 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -74.2 | -43.7 | -177.3 | -55.6 | -146 | 133 | 0 | 0 | 111.4 | N399 G563 F564 N568 R569 D570 | N399-E566 PolarHBondContact ND2-OE2 3.05Å; G563-E566 PolarHBondContact O-N 2.91Å; F564-E566 PolarHBondContact O-N 2.77Å; E566-N568 PolarHBondContact O-N 3.42Å; E566-R569 PolarHBondContact O-N 2.94Å; E566-D570 PolarHBondContact O-N 3.27Å |
| 567 | K | 77.9 | Confident | 82.8 | Confident | 66 Ų | 66 | 40.1 Ų | 40.1 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 173.5 | -71 | 179.8 | 176.7 | -169.3 | 0 | 112.2 | S449 F450 E451 G563 V626 | S449-K567 PolarHBondContact OG-NZ 3.28Å; F450-K567 HydrophobicContact CB-CB 4.23Å; F450-K567 HydrophobicContact CB-CD 3.95Å; F450-K567 HydrophobicContact CD1-CB 3.91Å; F450-K567 HydrophobicContact CG-CB 4.26Å; E451-K567 VanDerWaalsContact OE1-CE 3.31Å; E451-K567 WeakPolarHBondContact OE1-CE 3.44Å; E451-K567 IonicContact OE1-NZ 3.92Å; E451-K567 PolarHBondContact OE1-NZ 3.16Å; E451-K567 IonicContact OE2-NZ 2.64Å; E451-K567 PolarHBondContact OE2-NZ 2.55Å; G563-K567 WeakPolarHBondContact O-CB 3.5Å; G563-K567 WeakPolarHBondContact O-CG 3.3Å; G563-K567 PolarHBondContact O-N 3.02Å; K567-V626 WeakPolarHBondContact O-CG2 3.28Å |
| 568 | N | 81.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.6 | -27.3 | 178.6 | -171.1 | 50.4 | 0 | 0 | 0 | 113.6 | F450 L510 D511 C514 F564 E566 T625 V626 G627 | F450-N568 HydrophobicContact CE2-CB 4.13Å; F450-N568 HydrophobicContact CZ-CB 4.03Å; L510-N568 HydrophobicContact CD2-CB 3.79Å; L510-N568 HydrophobicContact CG-CB 4.09Å; D511-N568 PolarHBondContact OD1-ND2 3.35Å; C514-N568 PolarHBondContact SG-ND2 3.33Å; C514-N568 VanDerWaalsContact SG-ND2 3.36Å; F564-N568 WeakPolarHBondContact O-CB 3.36Å; F564-N568 PolarHBondContact O-N 2.94Å; E566-N568 PolarHBondContact O-N 3.42Å; N568-T625 WeakPolarHBondContact O-CA 3.25Å; N568-T625 WeakPolarHBondContact O-CB 3.43Å; N568-V626 PolarHBondContact O-N 3Å; N568-V626 PolarHBondContact OD1-N 2.83Å; N568-G627 WeakPolarHBondContact OD1-CA 3.5Å; N568-G627 PolarHBondContact OD1-N 3.48Å |
| 569 | R | 75.1 | Confident | 82.3 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 28% | 0.279 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 175.8 | -86.2 | 170.4 | 176.9 | 148.6 | 2.6 | 112.8 | C514 V516 L565 E566 T571 | C514-R569 HydrophobicContact CB-CG 4.04Å; C514-R569 PolarHBondContact O-NE 3.04Å; C514-R569 PolarHBondContact O-NH2 3.33Å; V516-R569 PolarHBondContact O-NH2 3.1Å; L565-R569 VanDerWaalsContact O-CB 3.23Å; L565-R569 WeakPolarHBondContact O-CB 3.33Å; L565-R569 WeakPolarHBondContact O-CD 3.36Å; L565-R569 WeakPolarHBondContact O-CG 3.35Å; L565-R569 PolarHBondContact O-N 3.07Å; E566-R569 PolarHBondContact O-N 2.94Å; R569-T571 PolarHBondContact O-N 2.9Å; R569-T571 PolarHBondContact O-OG1 3.42Å |
| 570 | D | 69.5 | Low | 82 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | trans | 38.3 | 40.8 | 179.8 | -159 | 38.1 | 0 | 0 | 0 | 113.6 | K246 K406 E566 V572 V626 | K246-D570 IonicContact NZ-OD2 3.92Å; K246-D570 PolarHBondContact NZ-OD2 3.03Å; K406-D570 IonicContact NZ-OD1 2.64Å; K406-D570 PolarHBondContact NZ-OD1 3.37Å; E566-D570 PolarHBondContact O-N 3.27Å; D570-V572 PolarHBondContact O-N 2.79Å; D570-V626 HydrophobicContact CB-CG2 3.34Å | ||
| 571 | T | 69.1 | Low | 81.8 | Confident | 83 Ų | 83 | 42 Ų | 42 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | trans | -88.2 | 99 | -163.1 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | R569 | R569-T571 PolarHBondContact O-N 2.9Å; R569-T571 PolarHBondContact O-OG1 3.42Å | ||
| 572 | V | 76.5 | Confident | 81.7 | Confident | 23 Ų | 23 | 45.8 Ų | 45.8 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | trans | -76.6 | 141.3 | 165.2 | -163.7 | 0 | 0 | 0 | 0 | 109 | A403 L404 H407 D570 I577 | A403-V572 HydrophobicContact CB-CG2 4.24Å; L404-V572 HydrophobicContact CD1-CG1 3.8Å; H407-V572 HydrophobicContact CB-CG2 3.68Å; D570-V572 PolarHBondContact O-N 2.79Å; V572-I577 HydrophobicContact CB-CD1 3.99Å; V572-I577 HydrophobicContact CB-CG1 4.37Å; V572-I577 HydrophobicContact CG1-CD1 3.87Å; V572-I577 HydrophobicContact CG1-CG1 3.68Å | ||
| 573 | Y | 82.1 | Confident | 81.9 | Confident | 44 Ų | 44 | 39.1 Ų | 39.1 | 17% | 0.173 | 21% | 0.207 | C | C | . | . | trans | -78.8 | 137.9 | 176.3 | -68.4 | -72.7 | 0 | 0 | 0 | 111.6 | R379 M392 A400 E575 Q576 I577 | R379-Y573 HydrophobicContact CB-CD1 3.88Å; R379-Y573 HydrophobicContact CB-CE1 3.83Å; R379-Y573 HydrophobicContact CB-CG 4.37Å; R379-Y573 VanDerWaalsContact CD-CE1 3.48Å; R379-Y573 WeakPolarHBondContact CD-OH 3.46Å; R379-Y573 HydrophobicContact CG-CE1 4.3Å; R379-Y573 PolarHBondContact NH1-OH 2.92Å; M392-Y573 HydrophobicContact CE-CD2 4.33Å; M392-Y573 HydrophobicContact CE-CE2 3.56Å; M392-Y573 HydrophobicContact SD-CE2 4.03Å; A400-Y573 HydrophobicContact CB-CD2 3.86Å; A400-Y573 HydrophobicContact CB-CE2 3.72Å; Y573-E575 PolarHBondContact O-N 3.26Å; Y573-Q576 PolarHBondContact O-N 2.99Å; Y573-I577 PolarHBondContact O-N 3.25Å | ||
| 574 | E | 79.5 | Confident | 82.3 | Confident | 75 Ų | 75 | 47 Ų | 47 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.4 | -35.2 | -177.9 | -68.7 | -171.9 | -177.8 | 0 | 0 | 111.3 | I577 N578 H622 | E574-I577 PolarHBondContact O-N 2.94Å; E574-N578 WeakPolarHBondContact O-CB 3.42Å; E574-N578 PolarHBondContact O-N 2.84Å; E574-N578 PolarHBondContact O-ND2 3.01Å; E574-H622 IonicContact OE1-CD2 2.94Å; E574-H622 PolarHBondContact OE1-CD2 3.29Å |
| 575 | E | 85.9 | Confident | 82.4 | Confident | 30 Ų | 30 | 49 Ų | 49 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.8 | -66.9 | 71.8 | -152.5 | 0 | 0 | 112.8 | W375 K380 Y573 I577 N578 I579 | W375-E575 HydrophobicContact CB-CB 4.38Å; W375-E575 HydrophobicContact CD2-CB 3.67Å; W375-E575 HydrophobicContact CD2-CG 3.98Å; W375-E575 HydrophobicContact CE3-CB 3.68Å; W375-E575 HydrophobicContact CE3-CG 3.69Å; W375-E575 HydrophobicContact CG-CB 4Å; W375-E575 HydrophobicContact CH2-CG 3.97Å; W375-E575 HydrophobicContact CZ2-CG 4.23Å; W375-E575 HydrophobicContact CZ3-CB 4.24Å; W375-E575 HydrophobicContact CZ3-CG 3.7Å; K380-E575 HydrophobicContact CB-CG 4.28Å; K380-E575 WeakPolarHBondContact CB-OE1 3.26Å; K380-E575 VanDerWaalsContact CD-OE1 3.28Å; K380-E575 WeakPolarHBondContact CD-OE1 3.38Å; Y573-E575 PolarHBondContact O-N 3.26Å; E575-I577 VanDerWaalsContact C-N 3.35Å; E575-I577 PolarHBondContact O-N 3.21Å; E575-N578 PolarHBondContact O-N 3.45Å; E575-I579 WeakPolarHBondContact O-CG1 3.42Å; E575-I579 PolarHBondContact O-N 2.89Å; E575-I579 VanDerWaalsContact O-N 3.13Å |
| 576 | Q | 87 | Confident | 82.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -40 | 177.4 | -63.6 | 172.4 | -11.4 | 0 | 0 | 111.1 | W375 L404 Y573 L580 | W375-Q576 HydrophobicContact CB-CG 4.43Å; W375-Q576 WeakPolarHBondContact O-CG 3.49Å; W375-Q576 PolarHBondContact O-NE2 3.14Å; L404-Q576 HydrophobicContact CD1-CB 3.83Å; L404-Q576 HydrophobicContact CD2-CB 4.18Å; Y573-Q576 PolarHBondContact O-N 2.99Å; Q576-L580 PolarHBondContact O-N 3.05Å |
| 577 | I | 85.4 | Confident | 83 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 9% | 0.087 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 173.6 | -61 | 176.3 | 0 | 0 | 0 | 110.9 | V572 Y573 E574 E575 I579 L580 K581 F592 | V572-I577 HydrophobicContact CB-CD1 3.99Å; V572-I577 HydrophobicContact CB-CG1 4.37Å; V572-I577 HydrophobicContact CG1-CD1 3.87Å; V572-I577 HydrophobicContact CG1-CG1 3.68Å; Y573-I577 PolarHBondContact O-N 3.25Å; E574-I577 PolarHBondContact O-N 2.94Å; E575-I577 VanDerWaalsContact C-N 3.35Å; E575-I577 PolarHBondContact O-N 3.21Å; I577-I579 VanDerWaalsContact C-N 3.28Å; I577-I579 PolarHBondContact O-N 2.84Å; I577-L580 CarbonylContact O-C 3.46Å; I577-L580 WeakPolarHBondContact O-CA 3.36Å; I577-L580 WeakPolarHBondContact O-CB 3.45Å; I577-L580 PolarHBondContact O-N 2.67Å; I577-K581 HydrophobicContact CG2-CD 4.41Å; I577-K581 HydrophobicContact CG2-CG 4.21Å; I577-K581 WeakPolarHBondContact O-CG 3.47Å; I577-K581 PolarHBondContact O-N 2.94Å; I577-F592 HydrophobicContact CG2-CB 4.4Å; I577-F592 HydrophobicContact CG2-CD1 4.3Å |
| 578 | N | 86.1 | Confident | 83.4 | Confident | 83 Ų | 83 | 47.2 Ų | 47.2 | 44% | 0.444 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.1 | -32.3 | -179.2 | -73.9 | -35.6 | 0 | 0 | 0 | 112.5 | E574 E575 K581 A582 | E574-N578 WeakPolarHBondContact O-CB 3.42Å; E574-N578 PolarHBondContact O-N 2.84Å; E574-N578 PolarHBondContact O-ND2 3.01Å; E575-N578 PolarHBondContact O-N 3.45Å; N578-K581 PolarHBondContact O-N 2.84Å; N578-A582 WeakPolarHBondContact O-CB 3.43Å; N578-A582 PolarHBondContact O-N 2.86Å; N578-A582 VanDerWaalsContact O-N 3.13Å |
| 579 | I | 88.2 | Confident | 83.7 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 170.2 | -59.6 | 160.1 | 0 | 0 | 0 | 110.7 | V367 Q371 M372 W375 E575 I577 A582 S583 | V367-I579 HydrophobicContact CB-CG2 3.68Å; V367-I579 HydrophobicContact CG1-CG2 3.82Å; V367-I579 HydrophobicContact CG2-CG2 4.43Å; Q371-I579 HydrophobicContact CB-CD1 3.84Å; Q371-I579 HydrophobicContact CB-CG1 3.99Å; M372-I579 HydrophobicContact CE-CB 4.04Å; M372-I579 HydrophobicContact CE-CD1 3.89Å; M372-I579 HydrophobicContact CE-CG2 3.73Å; M372-I579 HydrophobicContact SD-CD1 4.36Å; W375-I579 HydrophobicContact CB-CD1 4.01Å; W375-I579 HydrophobicContact CG-CD1 4.21Å; E575-I579 WeakPolarHBondContact O-CG1 3.42Å; E575-I579 PolarHBondContact O-N 2.89Å; E575-I579 VanDerWaalsContact O-N 3.13Å; I577-I579 VanDerWaalsContact C-N 3.28Å; I577-I579 PolarHBondContact O-N 2.84Å; I579-A582 CarbonylContact O-C 3.44Å; I579-A582 PolarHBondContact O-N 3.01Å; I579-A582 VanDerWaalsContact O-N 3.13Å; I579-S583 PolarHBondContact O-N 3.44Å |
| 580 | L | 88.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.8 | -35.4 | 177.6 | -62.9 | 172.1 | 0 | 0 | 0 | 112.5 | L365 V367 L404 I408 Q576 I577 A582 S583 V588 F592 | L365-L580 HydrophobicContact CD1-CD2 3.81Å; V367-L580 HydrophobicContact CG1-CD2 4.35Å; L404-L580 HydrophobicContact CD1-CD1 3.72Å; L404-L580 HydrophobicContact CG-CD1 4.45Å; I408-L580 HydrophobicContact CD1-CD1 4.11Å; I408-L580 HydrophobicContact CG1-CD1 3.92Å; Q576-L580 PolarHBondContact O-N 3.05Å; I577-L580 CarbonylContact O-C 3.46Å; I577-L580 WeakPolarHBondContact O-CA 3.36Å; I577-L580 WeakPolarHBondContact O-CB 3.45Å; I577-L580 PolarHBondContact O-N 2.67Å; L580-A582 PolarHBondContact O-N 2.77Å; L580-S583 WeakPolarHBondContact O-CB 3.37Å; L580-S583 PolarHBondContact O-N 2.98Å; L580-V588 HydrophobicContact CB-CG1 4.23Å; L580-V588 HydrophobicContact CD2-CG1 3.98Å; L580-F592 HydrophobicContact CB-CD2 3.57Å; L580-F592 HydrophobicContact CB-CE2 3.72Å; L580-F592 HydrophobicContact CB-CG 4.33Å; L580-F592 HydrophobicContact CD1-CD2 4.32Å; L580-F592 HydrophobicContact CD1-CE2 3.7Å; L580-F592 HydrophobicContact CD1-CZ 3.8Å; L580-F592 HydrophobicContact CG-CE2 4.22Å |
| 581 | K | 87.4 | Confident | 84.9 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 27% | 0.27 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -25.7 | 170.7 | -69 | -171 | -168.7 | -159.5 | 0 | 112.8 | I577 N578 F592 D594 | I577-K581 HydrophobicContact CG2-CD 4.41Å; I577-K581 HydrophobicContact CG2-CG 4.21Å; I577-K581 WeakPolarHBondContact O-CG 3.47Å; I577-K581 PolarHBondContact O-N 2.94Å; N578-K581 PolarHBondContact O-N 2.84Å; K581-F592 WeakPolarHBondContact CE-O 3.11Å; K581-F592 HydrophobicContact CG-CB 3.62Å; K581-F592 PolarHBondContact NZ-O 2.6Å; K581-D594 IonicContact NZ-OD1 3.48Å; K581-D594 IonicContact NZ-OD2 2.72Å; K581-D594 PolarHBondContact NZ-OD2 3.17Å |
| 582 | A | 87.8 | Confident | 85.6 | Confident | 79 Ų | 79 | 42.8 Ų | 42.8 | 65% | 0.653 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 13.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N578 I579 L580 | N578-A582 WeakPolarHBondContact O-CB 3.43Å; N578-A582 PolarHBondContact O-N 2.86Å; N578-A582 VanDerWaalsContact O-N 3.13Å; I579-A582 CarbonylContact O-C 3.44Å; I579-A582 PolarHBondContact O-N 3.01Å; I579-A582 VanDerWaalsContact O-N 3.13Å; L580-A582 PolarHBondContact O-N 2.77Å |
| 583 | S | 90.3 | Very high | 85.8 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | trans | -60.5 | 138.7 | 178 | 169.3 | 0 | 0 | 0 | 0 | 112.7 | L365 G366 I579 L580 F585 | L365-S583 PolarHBondContact O-OG 3.04Å; G366-S583 WeakPolarHBondContact O-CA 3.2Å; I579-S583 PolarHBondContact O-N 3.44Å; L580-S583 WeakPolarHBondContact O-CB 3.37Å; L580-S583 PolarHBondContact O-N 2.98Å; S583-F585 PolarHBondContact O-N 3.29Å; S583-F585 WeakPolarHBondContact OG-CB 3.3Å; S583-F585 PolarHBondContact OG-N 2.83Å; S583-F585 PolarHBondContact OG-O 3.38Å | ||
| 584 | E | 87.4 | Confident | 84.7 | Confident | 185 Ų | 185 | 49.1 Ų | 49.1 | 86% | 0.864 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -68 | -16.3 | 168.9 | -61.4 | -174.6 | 163.1 | 0 | 0 | 112.4 | G366 Q586 | G366-E584 PolarHBondContact O-N 3.17Å; E584-Q586 PolarHBondContact O-N 2.96Å |
| 585 | F | 87.8 | Confident | 83.3 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -94.8 | 97.9 | -179.2 | -178.3 | -155.9 | 0 | 0 | 0 | 110.5 | K327 I328 S583 L587 V588 A589 | K327-F585 HydrophobicContact CB-CE1 4.21Å; K327-F585 HydrophobicContact CD-CE1 4.48Å; K327-F585 HydrophobicContact CD-CZ 4.37Å; I328-F585 HydrophobicContact CD1-CE1 4.46Å; I328-F585 HydrophobicContact CG1-CE1 4.13Å; S583-F585 PolarHBondContact O-N 3.29Å; S583-F585 WeakPolarHBondContact OG-CB 3.3Å; S583-F585 PolarHBondContact OG-N 2.83Å; S583-F585 PolarHBondContact OG-O 3.38Å; F585-L587 VanDerWaalsContact C-N 3.26Å; F585-L587 HydrophobicContact CE2-CB 4.21Å; F585-L587 HydrophobicContact CZ-CB 4.27Å; F585-L587 PolarHBondContact O-N 3.48Å; F585-V588 HydrophobicContact CB-CG2 4.34Å; F585-V588 HydrophobicContact CD1-CB 4.5Å; F585-V588 HydrophobicContact CD1-CG2 3.44Å; F585-V588 VanDerWaalsContact CD1-CG2 3.44Å; F585-V588 HydrophobicContact CE1-CG2 3.99Å; F585-V588 HydrophobicContact CG-CG2 4.12Å; F585-V588 WeakPolarHBondContact O-CB 3.32Å; F585-V588 PolarHBondContact O-N 2.76Å; F585-A589 PolarHBondContact O-N 3.26Å |
| 586 | Q | 85.2 | Confident | 80.7 | Confident | 121 Ų | 121 | 57.3 Ų | 57.3 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -42.4 | -43.3 | -171.5 | -170.4 | 66.4 | 54.7 | 0 | 0 | 115.5 | E584 V588 A589 D590 | E584-Q586 PolarHBondContact O-N 2.96Å; Q586-V588 VanDerWaalsContact C-N 3.3Å; Q586-V588 PolarHBondContact O-N 2.99Å; Q586-A589 PolarHBondContact O-N 3.49Å; Q586-D590 PolarHBondContact NE2-OD1 3.29Å; Q586-D590 WeakPolarHBondContact O-CB 3.23Å; Q586-D590 PolarHBondContact O-N 3.49Å |
| 587 | L | 85.7 | Confident | 78 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -40.6 | 179.6 | 178.1 | 60.4 | 0 | 0 | 0 | 112 | S324 I328 W415 F585 D590 L591 | S324-L587 VanDerWaalsContact CB-CD2 3.5Å; I328-L587 HydrophobicContact CD1-CD2 3.68Å; I328-L587 HydrophobicContact CD1-CG 3.91Å; W415-L587 HydrophobicContact CD2-CD1 4.06Å; W415-L587 HydrophobicContact CG-CD1 4.49Å; W415-L587 HydrophobicContact CH2-CD1 4.36Å; W415-L587 HydrophobicContact CZ2-CD1 3.53Å; F585-L587 VanDerWaalsContact C-N 3.26Å; F585-L587 HydrophobicContact CE2-CB 4.21Å; F585-L587 HydrophobicContact CZ-CB 4.27Å; F585-L587 PolarHBondContact O-N 3.48Å; L587-D590 PolarHBondContact O-N 2.68Å; L587-L591 VanDerWaalsContact O-CG 3.32Å; L587-L591 WeakPolarHBondContact O-CG 3.4Å; L587-L591 PolarHBondContact O-N 2.94Å |
| 588 | V | 86.1 | Confident | 75.3 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 178.9 | 178.9 | 0 | 0 | 0 | 0 | 110 | I328 L365 L580 F585 Q586 D590 L591 F592 | I328-V588 HydrophobicContact CD1-CG2 3.89Å; I328-V588 HydrophobicContact CG1-CG2 4.01Å; L365-V588 HydrophobicContact CD2-CG1 4.48Å; L365-V588 HydrophobicContact CD2-CG2 3.61Å; L580-V588 HydrophobicContact CB-CG1 4.23Å; L580-V588 HydrophobicContact CD2-CG1 3.98Å; F585-V588 HydrophobicContact CB-CG2 4.34Å; F585-V588 HydrophobicContact CD1-CB 4.5Å; F585-V588 HydrophobicContact CD1-CG2 3.44Å; F585-V588 VanDerWaalsContact CD1-CG2 3.44Å; F585-V588 HydrophobicContact CE1-CG2 3.99Å; F585-V588 HydrophobicContact CG-CG2 4.12Å; F585-V588 WeakPolarHBondContact O-CB 3.32Å; F585-V588 PolarHBondContact O-N 2.76Å; Q586-V588 VanDerWaalsContact C-N 3.3Å; Q586-V588 PolarHBondContact O-N 2.99Å; V588-D590 VanDerWaalsContact C-N 3.33Å; V588-D590 PolarHBondContact O-N 3.06Å; V588-L591 PolarHBondContact O-N 2.91Å; V588-F592 HydrophobicContact CG1-CD2 4.33Å; V588-F592 HydrophobicContact CG1-CE2 4.13Å; V588-F592 WeakPolarHBondContact O-CD2 3.38Å |
| 589 | A | 86.8 | Confident | 72.8 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 7% | 0.066 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F585 Q586 L591 F592 Q593 | F585-A589 PolarHBondContact O-N 3.26Å; Q586-A589 PolarHBondContact O-N 3.49Å; A589-L591 VanDerWaalsContact C-N 3.34Å; A589-L591 PolarHBondContact O-N 3.33Å; A589-F592 PolarHBondContact O-N 3.31Å; A589-Q593 WeakPolarHBondContact O-CG 3.49Å; A589-Q593 PolarHBondContact O-N 2.98Å; A589-Q593 PolarHBondContact O-NE2 3.35Å |
| 590 | D | 85.7 | Confident | 70.2 | Confident | 74 Ų | 74 | 75.2 Ų | 75.2 | 40% | 0.396 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 178.7 | -68.1 | -11.5 | 0 | 0 | 0 | 113 | Q586 L587 V588 F592 Q593 | Q586-D590 PolarHBondContact NE2-OD1 3.29Å; Q586-D590 WeakPolarHBondContact O-CB 3.23Å; Q586-D590 PolarHBondContact O-N 3.49Å; L587-D590 PolarHBondContact O-N 2.68Å; V588-D590 VanDerWaalsContact C-N 3.33Å; V588-D590 PolarHBondContact O-N 3.06Å; D590-F592 VanDerWaalsContact C-N 3.27Å; D590-F592 PolarHBondContact O-N 3.2Å; D590-Q593 PolarHBondContact OD1-NE2 2.9Å |
| 591 | L | 85.3 | Confident | 67.5 | Low | 7 Ų | 7 | 80.5 Ų | 80.5 | 4% | 0.037 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.1 | -29.7 | 176.5 | -74.7 | 177.6 | 0 | 0 | 0 | 113.3 | I328 R411 L412 W415 L587 V588 A589 | I328-L591 HydrophobicContact CD1-CD1 3.84Å; R411-L591 HydrophobicContact CB-CB 4.27Å; R411-L591 HydrophobicContact CB-CD2 4.3Å; R411-L591 WeakPolarHBondContact CD-O 3.34Å; R411-L591 PolarHBondContact NH1-O 3.22Å; R411-L591 WeakPolarHBondContact O-CD2 3.13Å; L412-L591 HydrophobicContact CB-CD1 4.4Å; L412-L591 HydrophobicContact CD1-CD1 4.49Å; W415-L591 HydrophobicContact CB-CD2 3.39Å; W415-L591 HydrophobicContact CG-CD2 3.65Å; L587-L591 VanDerWaalsContact O-CG 3.32Å; L587-L591 WeakPolarHBondContact O-CG 3.4Å; L587-L591 PolarHBondContact O-N 2.94Å; V588-L591 PolarHBondContact O-N 2.91Å; A589-L591 VanDerWaalsContact C-N 3.34Å; A589-L591 PolarHBondContact O-N 3.33Å |
| 592 | F | 83.5 | Confident | 65 | Low | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -111 | -4.3 | -175.6 | -58.9 | -69.9 | 0 | 0 | 0 | 114.3 | H407 I408 R411 I577 L580 K581 V588 A589 D590 | H407-F592 AromaticContact CD2-CE1 3.52Å; H407-F592 AromaticContact NE2-CE1 3.9Å; I408-F592 HydrophobicContact CB-CZ 4.47Å; I408-F592 HydrophobicContact CG1-CZ 3.94Å; R411-F592 HydrophobicContact CB-CE1 4.27Å; R411-F592 HydrophobicContact CG-CD1 4.12Å; R411-F592 HydrophobicContact CG-CE1 3.66Å; R411-F592 HydrophobicContact CG-CZ 4.38Å; I577-F592 HydrophobicContact CG2-CB 4.4Å; I577-F592 HydrophobicContact CG2-CD1 4.3Å; L580-F592 HydrophobicContact CB-CD2 3.57Å; L580-F592 HydrophobicContact CB-CE2 3.72Å; L580-F592 HydrophobicContact CB-CG 4.33Å; L580-F592 HydrophobicContact CD1-CD2 4.32Å; L580-F592 HydrophobicContact CD1-CE2 3.7Å; L580-F592 HydrophobicContact CD1-CZ 3.8Å; L580-F592 HydrophobicContact CG-CE2 4.22Å; K581-F592 WeakPolarHBondContact CE-O 3.11Å; K581-F592 HydrophobicContact CG-CB 3.62Å; K581-F592 PolarHBondContact NZ-O 2.6Å; V588-F592 HydrophobicContact CG1-CD2 4.33Å; V588-F592 HydrophobicContact CG1-CE2 4.13Å; V588-F592 WeakPolarHBondContact O-CD2 3.38Å; A589-F592 PolarHBondContact O-N 3.31Å; D590-F592 VanDerWaalsContact C-N 3.27Å; D590-F592 PolarHBondContact O-N 3.2Å |
| 593 | Q | 80.2 | Confident | 62.3 | Low | 102 Ų | 102 | 89.3 Ų | 89.3 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -66 | 134.8 | 167.8 | -84.2 | 173.2 | 68.8 | 0 | 0 | 110.9 | A589 D590 K595 | A589-Q593 WeakPolarHBondContact O-CG 3.49Å; A589-Q593 PolarHBondContact O-N 2.98Å; A589-Q593 PolarHBondContact O-NE2 3.35Å; D590-Q593 PolarHBondContact OD1-NE2 2.9Å; Q593-K595 PolarHBondContact O-N 3.46Å |
| 594 | D | 59.4 | Low | 59.8 | Low | 97 Ų | 97 | 94.3 Ų | 94.3 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | trans | -82.4 | 112 | 179.7 | -57 | -70.6 | 0 | 0 | 0 | 109.4 | K581 S596 | K581-D594 IonicContact NZ-OD1 3.48Å; K581-D594 IonicContact NZ-OD2 2.72Å; K581-D594 PolarHBondContact NZ-OD2 3.17Å; D594-S596 PolarHBondContact O-N 3.47Å | ||
| 595 | K | 49.4 | Very low | 57.1 | Low | 161 Ų | 161 | 95.2 Ų | 95.2 | 70% | 0.7 | 53% | 0.534 | S | S | * | . | trans | -61.5 | 103.4 | 175.6 | -72.4 | 179.8 | 173.6 | -178.2 | 0 | 109.3 | E418 Q593 D597 | E418-K595 IonicContact OE1-NZ 3.14Å; E418-K595 PolarHBondContact OE1-NZ 3.46Å; E418-K595 IonicContact OE2-NZ 2.88Å; E418-K595 PolarHBondContact OE2-NZ 2.87Å; Q593-K595 PolarHBondContact O-N 3.46Å; K595-D597 PolarHBondContact O-N 3.35Å | ||
| 596 | S | 31.2 | Very low | 54.6 | Low | 116 Ų | 116 | 99.6 Ų | 99.6 | 81% | 0.811 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 119.9 | 177.1 | 43.7 | 0 | 0 | 0 | 0 | 110.5 | D594 | D594-S596 PolarHBondContact O-N 3.47Š|
| 597 | D | 31.3 | Very low | 51.9 | Low | 165 Ų | 165 | 101.5 Ų | 101.5 | 88% | 0.882 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 140.2 | 173 | -97.9 | -39 | 0 | 0 | 0 | 110.7 | K595 | K595-D597 PolarHBondContact O-N 3.35Š|
| 598 | A | 29.6 | Very low | 49.4 | Very low | 83 Ų | 83 | 107 Ų | 107 | 69% | 0.686 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 143.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 599 | P | 32 | Very low | 47 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 79% | 0.792 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 127.8 | -174.9 | 23.7 | -34.1 | 0 | 0 | 0 | 111.1 | S601 | P599-S601 PolarHBondContact O-N 2.87Š|
| 600 | P | 35 | Very low | 44.3 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 125.5 | -171 | 23.3 | -33.6 | 0 | 0 | 0 | 111.7 | K602 | P600-K602 PolarHBondContact O-N 3.23Š|
| 601 | S | 30.3 | Very low | 42.1 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.3 | 178.6 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | P599 S603 | P599-S601 PolarHBondContact O-N 2.87Å; S601-S603 PolarHBondContact O-N 2.98Å |
| 602 | K | 35.2 | Very low | 39.6 | Very low | 215 Ų | 215 | 137.1 Ų | 137.1 | 94% | 0.935 | 75% | 0.754 | S | S | * | * | trans | -66.9 | 94.5 | -177.4 | -66.2 | 176.2 | -179.2 | 173.1 | 0 | 112.3 | P600 | P600-K602 PolarHBondContact O-N 3.23Š| ||
| 603 | S | 30.3 | Very low | 37.2 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -100.3 | 108.6 | 163.1 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | S601 K605 | S601-S603 PolarHBondContact O-N 2.98Å; S603-K605 PolarHBondContact O-N 2.86Å | ||
| 604 | S | 38.1 | Very low | 34.9 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -74.1 | 122 | -177 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 605 | K | 32 | Very low | 33.9 | Very low | 204 Ų | 204 | 145.9 Ų | 145.9 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -150.5 | 119.8 | 160.4 | -107.4 | 163.6 | -171.4 | 177 | 0 | 112.2 | S603 | S603-K605 PolarHBondContact O-N 2.86Š| ||
| 606 | V | 33.9 | Very low | 33 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | trans | 13.1 | 124.3 | 162.8 | -171.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 607 | N | 29.1 | Very low | 33 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -69.5 | 132.7 | 166.8 | -73 | -50.3 | 0 | 0 | 0 | 112.6 | ||||
| 608 | V | 33.6 | Very low | 33.1 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -124.6 | 120.6 | 154.3 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 609 | R | 35.8 | Very low | 33.4 | Very low | 234 Ų | 234 | 147.2 Ų | 147.2 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -75.4 | 138.8 | 176.5 | -81.1 | 178.3 | 168.5 | 167.7 | -4.5 | 110.1 | ||||
| 610 | S | 29.3 | Very low | 33.8 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -133.1 | 128.9 | 153.3 | -83 | 0 | 0 | 0 | 0 | 109.2 | K612 | S610-K612 PolarHBondContact O-N 3.47Š| ||
| 611 | L | 38.7 | Very low | 34 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -84.7 | 109.1 | -176.3 | -77.2 | 141.1 | 0 | 0 | 0 | 110.1 | ||||
| 612 | K | 34.1 | Very low | 34.6 | Very low | 197 Ų | 197 | 150.9 Ų | 150.9 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -159.5 | 102.4 | 155.2 | -112.1 | 163.2 | -174.3 | 177 | 0 | 110.4 | S610 V614 | S610-K612 PolarHBondContact O-N 3.47Å; K612-V614 PolarHBondContact O-N 3.38Å | ||
| 613 | T | 33.3 | Very low | 35.5 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | -73.4 | 99.6 | 172.2 | 43.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 614 | V | 32.3 | Very low | 37 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -89.3 | 136.5 | 164.7 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | K612 | K612-V614 PolarHBondContact O-N 3.38Š| ||
| 615 | P | 36.5 | Very low | 38.8 | Very low | 110 Ų | 110 | 146.3 Ų | 146.3 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | trans | -58.4 | 138.4 | 178.5 | -25.2 | 34.8 | 0 | 0 | 0 | 112.5 | V617 | P615-V617 PolarHBondContact O-N 2.7Å; P615-V617 VanDerWaalsContact O-N 3.09Å | ||
| 616 | K | 31.9 | Very low | 41 | Very low | 209 Ų | 209 | 138.1 Ų | 138.1 | 91% | 0.909 | 71% | 0.707 | S | S | * | * | trans | -69.2 | 103.1 | 166.4 | -79.2 | -170.6 | 174 | -174.7 | 0 | 108.9 | ||||
| 617 | V | 30.5 | Very low | 43.2 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | trans | -73 | 127 | 165.8 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | P615 | P615-V617 PolarHBondContact O-N 2.7Å; P615-V617 VanDerWaalsContact O-N 3.09Å | ||
| 618 | P | 34.5 | Very low | 45.7 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 69% | 0.688 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -71.9 | 161.7 | 178 | 30.2 | -35.1 | 0 | 0 | 0 | 112.5 | ||
| 619 | N | 35.6 | Very low | 47.9 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | trans | 38.2 | 82.5 | 175.1 | -69.4 | 19.2 | 0 | 0 | 0 | 115.8 | ||||
| 620 | K | 39.4 | Very low | 50.1 | Low | 189 Ų | 189 | 115.6 Ų | 115.6 | 82% | 0.822 | 59% | 0.589 | S | S | * | * | trans | -90.1 | -3.7 | 178 | -148.2 | -178.8 | -178.9 | -172.3 | 0 | 114.4 | ||||
| 621 | E | 40 | Very low | 52.8 | Low | 141 Ų | 141 | 113.4 Ų | 113.4 | 66% | 0.659 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -95.5 | -36.9 | -168 | -58.1 | -163.7 | 111.9 | 0 | 0 | 113.6 | R623 | E621-R623 PolarHBondContact O-N 2.83Š|
| 622 | H | 42.8 | Very low | 55 | Low | 105 Ų | 105 | 108.1 Ų | 108.1 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 29.7 | 178.2 | -59.7 | -20.9 | 0 | 0 | 0 | 113.6 | E574 | E574-H622 IonicContact OE1-CD2 2.94Å; E574-H622 PolarHBondContact OE1-CD2 3.29Å |
| 623 | R | 52.8 | Low | 57.3 | Low | 227 Ų | 227 | 100.6 Ų | 100.6 | 86% | 0.857 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 27.7 | 173.2 | -79.7 | -172.1 | 168.2 | -172 | -3.1 | 113.4 | E621 | E621-R623 PolarHBondContact O-N 2.83Š|
| 624 | K | 63.4 | Low | 59.8 | Low | 105 Ų | 105 | 93.6 Ų | 93.6 | 46% | 0.457 | 47% | 0.469 | S | S | . | . | trans | -88.5 | 108.4 | 170.3 | -63.5 | 174.2 | -175.8 | 169.6 | 0 | 108.7 | Q629 | K624-Q629 HydrophobicContact CB-CG 3.9Å; K624-Q629 PolarHBondContact O-NE2 3.41Å | ||
| 625 | T | 75.4 | Confident | 62.4 | Low | 16 Ų | 16 | 90.9 Ų | 90.9 | 10% | 0.098 | 45% | 0.448 | C | S | . | . | trans | -64 | 162 | 173.9 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | D511 C514 N568 G627 H628 Q629 | D511-T625 WeakPolarHBondContact OD1-CB 3.38Å; D511-T625 WeakPolarHBondContact OD1-CG2 3.14Å; D511-T625 PolarHBondContact OD1-OG1 3.28Å; D511-T625 PolarHBondContact OD2-OG1 2.97Å; C514-T625 HydrophobicContact CB-CG2 4.42Å; N568-T625 WeakPolarHBondContact O-CA 3.25Å; N568-T625 WeakPolarHBondContact O-CB 3.43Å; T625-G627 VanDerWaalsContact C-N 3.34Å; T625-G627 PolarHBondContact O-N 2.85Å; T625-H628 PolarHBondContact O-N 2.86Å; T625-H628 VanDerWaalsContact OG1-CB 3.31Å; T625-H628 WeakPolarHBondContact OG1-CB 3.27Å; T625-H628 PolarHBondContact OG1-N 2.82Å; T625-Q629 WeakPolarHBondContact O-CG 3.45Å; T625-Q629 PolarHBondContact O-N 2.96Å | ||
| 626 | V | 77.9 | Confident | 64.7 | Low | 31 Ų | 31 | 90.3 Ų | 90.3 | 19% | 0.188 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 179.8 | -176 | 0 | 0 | 0 | 0 | 111.1 | F450 K567 N568 D570 H628 Q629 F630 | F450-V626 HydrophobicContact CE1-CB 3.93Å; F450-V626 HydrophobicContact CE1-CG1 3.81Å; F450-V626 HydrophobicContact CZ-CB 4.12Å; F450-V626 HydrophobicContact CZ-CG1 4.26Å; K567-V626 WeakPolarHBondContact O-CG2 3.28Å; N568-V626 PolarHBondContact O-N 3Å; N568-V626 PolarHBondContact OD1-N 2.83Å; D570-V626 HydrophobicContact CB-CG2 3.34Å; V626-H628 VanDerWaalsContact C-N 3.32Å; V626-H628 PolarHBondContact O-N 2.91Å; V626-Q629 PolarHBondContact O-N 3.04Å; V626-F630 VanDerWaalsContact O-CB 3.24Å; V626-F630 WeakPolarHBondContact O-CB 3.32Å; V626-F630 PolarHBondContact O-N 3.02Å |
| 627 | G | 80.1 | Confident | 67.3 | Low | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.8 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | N568 T625 R631 | N568-G627 WeakPolarHBondContact OD1-CA 3.5Å; N568-G627 PolarHBondContact OD1-N 3.48Å; T625-G627 VanDerWaalsContact C-N 3.34Å; T625-G627 PolarHBondContact O-N 2.85Å; G627-R631 VanDerWaalsContact O-CB 3.29Å; G627-R631 WeakPolarHBondContact O-CB 3.44Å; G627-R631 PolarHBondContact O-N 2.89Å |
| 628 | H | 82.6 | Confident | 70.1 | Confident | 87 Ų | 87 | 75.1 Ų | 75.1 | 40% | 0.403 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.8 | -43.1 | 174.8 | -175.4 | 76.4 | 0 | 0 | 0 | 113 | T625 V626 S632 | T625-H628 PolarHBondContact O-N 2.86Å; T625-H628 VanDerWaalsContact OG1-CB 3.31Å; T625-H628 WeakPolarHBondContact OG1-CB 3.27Å; T625-H628 PolarHBondContact OG1-N 2.82Å; V626-H628 VanDerWaalsContact C-N 3.32Å; V626-H628 PolarHBondContact O-N 2.91Å; H628-S632 WeakPolarHBondContact O-CB 3.42Å; H628-S632 PolarHBondContact O-N 2.92Å; H628-S632 VanDerWaalsContact O-N 3.11Å; H628-S632 PolarHBondContact O-OG 3.13Å |
| 629 | Q | 79.3 | Confident | 72.7 | Confident | 88 Ų | 88 | 75 Ų | 75 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 174.6 | -68 | 178.9 | 39.7 | 0 | 0 | 111.1 | K624 T625 V626 S632 S633 | K624-Q629 HydrophobicContact CB-CG 3.9Å; K624-Q629 PolarHBondContact O-NE2 3.41Å; T625-Q629 WeakPolarHBondContact O-CG 3.45Å; T625-Q629 PolarHBondContact O-N 2.96Å; V626-Q629 PolarHBondContact O-N 3.04Å; Q629-S632 PolarHBondContact O-N 3.33Å; Q629-S633 WeakPolarHBondContact O-CB 3.46Å; Q629-S633 PolarHBondContact O-N 3.04Å |
| 630 | F | 82.2 | Confident | 75.2 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 6% | 0.057 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.5 | -55.5 | 176.7 | 165.5 | -145.1 | 0 | 0 | 0 | 111.1 | L243 C454 Y457 A458 V626 S632 S633 L634 | L243-F630 HydrophobicContact CD1-CD2 4.49Å; L243-F630 HydrophobicContact CD1-CE2 3.85Å; L243-F630 HydrophobicContact CD1-CZ 4.46Å; L243-F630 HydrophobicContact CD2-CD2 3.14Å; L243-F630 HydrophobicContact CD2-CE2 3.33Å; L243-F630 HydrophobicContact CD2-CG 4.18Å; L243-F630 HydrophobicContact CD2-CZ 4.46Å; L243-F630 HydrophobicContact CG-CD2 4.43Å; L243-F630 HydrophobicContact CG-CE2 4.25Å; C454-F630 VanDerWaalsContact CA-CE1 3.48Å; C454-F630 HydrophobicContact CB-CD1 3.75Å; C454-F630 HydrophobicContact CB-CE1 3.42Å; C454-F630 VanDerWaalsContact CB-CE1 3.42Å; C454-F630 HydrophobicContact CB-CZ 4.15Å; C454-F630 WeakPolarHBondContact O-CE1 3.29Å; C454-F630 WeakPolarHBondContact O-CZ 3.41Å; C454-F630 VanDerWaalsContact SG-CD1 3.5Å; Y457-F630 HydrophobicContact CD1-CD1 4.21Å; Y457-F630 AromaticContact CD1-CE1 3.37Å; Y457-F630 HydrophobicContact CD1-CE1 3.37Å; Y457-F630 AromaticContact CD1-CZ 3.7Å; Y457-F630 HydrophobicContact CD1-CZ 3.7Å; Y457-F630 HydrophobicContact CE1-CD1 4.49Å; Y457-F630 AromaticContact CE1-CE1 3.97Å; Y457-F630 HydrophobicContact CE1-CE1 3.97Å; Y457-F630 HydrophobicContact CE1-CZ 4.22Å; Y457-F630 HydrophobicContact CG-CE1 4.27Å; Y457-F630 HydrophobicContact CG-CZ 4.35Å; A458-F630 HydrophobicContact CB-CE2 4.32Å; A458-F630 HydrophobicContact CB-CZ 4.08Å; V626-F630 VanDerWaalsContact O-CB 3.24Å; V626-F630 WeakPolarHBondContact O-CB 3.32Å; V626-F630 PolarHBondContact O-N 3.02Å; F630-S632 PolarHBondContact O-N 3.4Å; F630-S633 CarbonylContact O-C 3.56Å; F630-S633 WeakPolarHBondContact O-CA 3.3Å; F630-S633 WeakPolarHBondContact O-CB 3.3Å; F630-S633 PolarHBondContact O-N 2.9Å; F630-L634 HydrophobicContact CD2-CB 4.19Å; F630-L634 HydrophobicContact CE2-CB 3.85Å; F630-L634 HydrophobicContact CE2-CD2 3.83Å; F630-L634 HydrophobicContact CE2-CG 4.28Å; F630-L634 HydrophobicContact CZ-CD2 3.89Å; F630-L634 WeakPolarHBondContact O-CB 3.35Å; F630-L634 PolarHBondContact O-N 3.48Å |
| 631 | R | 85.8 | Confident | 77.5 | Confident | 75 Ų | 75 | 61.4 Ų | 61.4 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -52 | -44.3 | 178 | 172.1 | 176 | -175.5 | 170.4 | 19.3 | 112.1 | Y457 E501 G627 L634 H635 | Y457-R631 HydrophobicContact CE1-CB 4.46Å; E501-R631 PolarHBondContact O-NH1 3.21Å; E501-R631 PolarHBondContact O-NH2 3.42Å; E501-R631 IonicContact OE1-NH2 2.72Å; G627-R631 VanDerWaalsContact O-CB 3.29Å; G627-R631 WeakPolarHBondContact O-CB 3.44Å; G627-R631 PolarHBondContact O-N 2.89Å; R631-L634 PolarHBondContact O-N 3.17Å; R631-H635 PolarHBondContact NE-NE2 3.45Å; R631-H635 PolarHBondContact O-CD2 3.46Å; R631-H635 PolarHBondContact O-N 3.01Å |
| 632 | S | 84.1 | Confident | 79.8 | Confident | 60 Ų | 60 | 59.5 Ų | 59.5 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 179.3 | -56.2 | 0 | 0 | 0 | 0 | 112 | H628 Q629 F630 L636 | H628-S632 WeakPolarHBondContact O-CB 3.42Å; H628-S632 PolarHBondContact O-N 2.92Å; H628-S632 VanDerWaalsContact O-N 3.11Å; H628-S632 PolarHBondContact O-OG 3.13Å; Q629-S632 PolarHBondContact O-N 3.33Å; F630-S632 PolarHBondContact O-N 3.4Å; S632-L636 PolarHBondContact O-N 2.64Å |
| 633 | S | 82.6 | Confident | 82.1 | Confident | 38 Ų | 38 | 57.9 Ų | 57.9 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.3 | -38.7 | 177.1 | -165.7 | 0 | 0 | 0 | 0 | 112.5 | Y242 Q629 F630 L636 L637 | Y242-S633 WeakPolarHBondContact CD1-OG 3.31Å; Q629-S633 WeakPolarHBondContact O-CB 3.46Å; Q629-S633 PolarHBondContact O-N 3.04Å; F630-S633 CarbonylContact O-C 3.56Å; F630-S633 WeakPolarHBondContact O-CA 3.3Å; F630-S633 WeakPolarHBondContact O-CB 3.3Å; F630-S633 PolarHBondContact O-N 2.9Å; S633-L636 PolarHBondContact O-N 2.64Å; S633-L637 PolarHBondContact O-N 2.87Å |
| 634 | L | 85.1 | Confident | 83.9 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -45.5 | 175.3 | -176.7 | 60.6 | 0 | 0 | 0 | 111.4 | Y457 A458 K461 F630 R631 L636 L637 M638 | Y457-L634 HydrophobicContact CD1-CD2 4.23Å; Y457-L634 HydrophobicContact CD2-CD2 4.34Å; Y457-L634 HydrophobicContact CE1-CD2 3.92Å; Y457-L634 HydrophobicContact CE2-CD2 4.07Å; Y457-L634 HydrophobicContact CG-CD2 4.39Å; A458-L634 HydrophobicContact CB-CD1 4.09Å; A458-L634 HydrophobicContact CB-CD2 4.41Å; K461-L634 HydrophobicContact CB-CD2 4.24Å; K461-L634 HydrophobicContact CG-CD2 3.89Å; K461-L634 HydrophobicContact CG-CG 4.41Å; F630-L634 HydrophobicContact CD2-CB 4.19Å; F630-L634 HydrophobicContact CE2-CB 3.85Å; F630-L634 HydrophobicContact CE2-CD2 3.83Å; F630-L634 HydrophobicContact CE2-CG 4.28Å; F630-L634 HydrophobicContact CZ-CD2 3.89Å; F630-L634 WeakPolarHBondContact O-CB 3.35Å; F630-L634 PolarHBondContact O-N 3.48Å; R631-L634 PolarHBondContact O-N 3.17Å; L634-L636 VanDerWaalsContact C-N 3.31Å; L634-L636 PolarHBondContact O-N 3.31Å; L634-L637 WeakPolarHBondContact O-CB 3.39Å; L634-L637 PolarHBondContact O-N 3.2Å; L634-L637 VanDerWaalsContact O-N 3.14Å; L634-M638 HydrophobicContact CD1-CG 4.4Å; L634-M638 HydrophobicContact CD1-SD 4.27Å; L634-M638 WeakPolarHBondContact O-CG 3.15Å; L634-M638 PolarHBondContact O-N 3.46Å |
| 635 | H | 87.1 | Confident | 85.1 | Confident | 66 Ų | 66 | 44 Ų | 44 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.9 | -45.7 | 172.6 | -83.1 | -72.2 | 0 | 0 | 0 | 111.5 | E501 R631 L637 M638 D639 | E501-H635 IonicContact OE1-CE1 3.95Å; R631-H635 PolarHBondContact NE-NE2 3.45Å; R631-H635 PolarHBondContact O-CD2 3.46Å; R631-H635 PolarHBondContact O-N 3.01Å; H635-L637 VanDerWaalsContact C-N 3.31Å; H635-L637 PolarHBondContact O-N 3.49Å; H635-M638 PolarHBondContact O-N 3.3Å; H635-M638 VanDerWaalsContact O-N 3.15Å; H635-D639 WeakPolarHBondContact O-CB 3.19Å; H635-D639 VanDerWaalsContact O-CG 3.3Å; H635-D639 PolarHBondContact O-N 3.19Å |
| 636 | L | 86.4 | Confident | 85.9 | Confident | 99 Ų | 99 | 43.6 Ų | 43.6 | 52% | 0.518 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.7 | -34.5 | 177.6 | -178.4 | 64.5 | 0 | 0 | 0 | 113.2 | S632 S633 L634 T640 | S632-L636 PolarHBondContact O-N 2.64Å; S633-L636 PolarHBondContact O-N 2.64Å; L634-L636 VanDerWaalsContact C-N 3.31Å; L634-L636 PolarHBondContact O-N 3.31Å; L636-T640 WeakPolarHBondContact O-CB 3.49Å; L636-T640 PolarHBondContact O-N 2.86Å; L636-T640 VanDerWaalsContact O-N 3.15Å; L636-T640 PolarHBondContact O-OG1 3.33Å |
| 637 | L | 86.4 | Confident | 86.6 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -50.6 | 170.8 | 177.3 | 58.3 | 0 | 0 | 0 | 110.7 | Y242 L437 S633 L634 H635 D639 T640 L641 | Y242-L637 HydrophobicContact CD1-CB 4.35Å; Y242-L637 HydrophobicContact CE1-CB 3.77Å; Y242-L637 HydrophobicContact CE2-CD1 3.95Å; L437-L637 HydrophobicContact CD1-CD1 4.46Å; L437-L637 HydrophobicContact CD1-CD2 4.48Å; L437-L637 HydrophobicContact CD2-CD2 4.5Å; S633-L637 PolarHBondContact O-N 2.87Å; L634-L637 WeakPolarHBondContact O-CB 3.39Å; L634-L637 PolarHBondContact O-N 3.2Å; L634-L637 VanDerWaalsContact O-N 3.14Å; H635-L637 VanDerWaalsContact C-N 3.31Å; H635-L637 PolarHBondContact O-N 3.49Å; L637-D639 PolarHBondContact O-N 3.26Å; L637-T640 WeakPolarHBondContact O-CA 3.48Å; L637-T640 WeakPolarHBondContact O-CB 3.36Å; L637-T640 PolarHBondContact O-N 3.04Å; L637-T640 VanDerWaalsContact O-N 3.09Å; L637-L641 HydrophobicContact CD1-CD1 3.94Å; L637-L641 HydrophobicContact CD1-CD2 4.46Å; L637-L641 HydrophobicContact CD1-CG 4Å; L637-L641 HydrophobicContact CG-CD1 3.93Å; L637-L641 HydrophobicContact CG-CG 4.39Å; L637-L641 WeakPolarHBondContact O-CG 3.5Å; L637-L641 PolarHBondContact O-N 2.74Å |
| 638 | M | 88.7 | Confident | 87.2 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | -178.8 | -58.2 | -43.2 | -68.1 | 0 | 0 | 112.1 | K461 L462 Q465 L634 H635 T640 L641 N642 | K461-M638 HydrophobicContact CB-CE 4.35Å; K461-M638 HydrophobicContact CB-CG 4.26Å; K461-M638 HydrophobicContact CB-SD 4.19Å; K461-M638 VanDerWaalsContact O-CE 3.3Å; K461-M638 WeakPolarHBondContact O-CE 3.48Å; L462-M638 HydrophobicContact CD2-CE 4.11Å; L462-M638 HydrophobicContact CD2-SD 4.07Å; L462-M638 HydrophobicContact CG-SD 4.41Å; Q465-M638 HydrophobicContact CB-CE 3.7Å; Q465-M638 HydrophobicContact CG-CE 4.38Å; L634-M638 HydrophobicContact CD1-CG 4.4Å; L634-M638 HydrophobicContact CD1-SD 4.27Å; L634-M638 WeakPolarHBondContact O-CG 3.15Å; L634-M638 PolarHBondContact O-N 3.46Å; H635-M638 PolarHBondContact O-N 3.3Å; H635-M638 VanDerWaalsContact O-N 3.15Å; M638-T640 VanDerWaalsContact C-N 3.3Å; M638-T640 PolarHBondContact O-N 3.09Å; M638-L641 PolarHBondContact O-N 2.89Å; M638-L641 HydrophobicContact SD-CD1 4.29Å; M638-N642 WeakPolarHBondContact O-CB 3.48Å; M638-N642 PolarHBondContact O-N 2.9Å; M638-N642 PolarHBondContact O-ND2 2.65Å; M638-N642 VanDerWaalsContact O-ND2 3.12Å |
| 639 | D | 89.1 | Confident | 87.7 | Confident | 103 Ų | 103 | 39 Ų | 39 | 55% | 0.551 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61.5 | -38.7 | 173.4 | -70.2 | -19.3 | 0 | 0 | 0 | 111.5 | H635 L637 A643 | H635-D639 WeakPolarHBondContact O-CB 3.19Å; H635-D639 VanDerWaalsContact O-CG 3.3Å; H635-D639 PolarHBondContact O-N 3.19Å; L637-D639 PolarHBondContact O-N 3.26Å; D639-A643 PolarHBondContact O-N 2.71Å |
| 640 | T | 87.6 | Confident | 88.4 | Confident | 18 Ų | 18 | 35.4 Ų | 35.4 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.1 | -43 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | Y223 R240 L636 L637 M638 | Y223-T640 HydrophobicContact CE1-CG2 3.81Å; R240-T640 PolarHBondContact NH1-OG1 3.06Å; L636-T640 WeakPolarHBondContact O-CB 3.49Å; L636-T640 PolarHBondContact O-N 2.86Å; L636-T640 VanDerWaalsContact O-N 3.15Å; L636-T640 PolarHBondContact O-OG1 3.33Å; L637-T640 WeakPolarHBondContact O-CA 3.48Å; L637-T640 WeakPolarHBondContact O-CB 3.36Å; L637-T640 PolarHBondContact O-N 3.04Å; L637-T640 VanDerWaalsContact O-N 3.09Å; M638-T640 VanDerWaalsContact C-N 3.3Å; M638-T640 PolarHBondContact O-N 3.09Å |
| 641 | L | 88.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72 | -38.5 | 179.4 | -63.9 | 171.8 | 0 | 0 | 0 | 112.1 | I160 Y223 L437 L462 Q465 L637 M638 A643 T644 | I160-L641 HydrophobicContact CD1-CD1 4.25Å; I160-L641 HydrophobicContact CD1-CD2 4.35Å; Y223-L641 HydrophobicContact CE2-CD2 3.83Å; L437-L641 HydrophobicContact CD2-CD1 4.03Å; L462-L641 HydrophobicContact CD2-CD1 3.84Å; Q465-L641 VanDerWaalsContact NE2-C 3.33Å; L637-L641 HydrophobicContact CD1-CD1 3.94Å; L637-L641 HydrophobicContact CD1-CD2 4.46Å; L637-L641 HydrophobicContact CD1-CG 4Å; L637-L641 HydrophobicContact CG-CD1 3.93Å; L637-L641 HydrophobicContact CG-CG 4.39Å; L637-L641 WeakPolarHBondContact O-CG 3.5Å; L637-L641 PolarHBondContact O-N 2.74Å; M638-L641 PolarHBondContact O-N 2.89Å; M638-L641 HydrophobicContact SD-CD1 4.29Å; L641-A643 PolarHBondContact O-N 3.17Å; L641-T644 WeakPolarHBondContact O-CA 3.45Å; L641-T644 PolarHBondContact O-N 2.81Å; L641-T644 PolarHBondContact O-OG1 2.7Å |
| 642 | N | 88.3 | Confident | 89.3 | Confident | 101 Ų | 101 | 31.4 Ų | 31.4 | 54% | 0.54 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.5 | -20.1 | 177.5 | -74.8 | -28.1 | 0 | 0 | 0 | 113 | Q465 M638 T644 | Q465-N642 PolarHBondContact NE2-OD1 2.96Å; M638-N642 WeakPolarHBondContact O-CB 3.48Å; M638-N642 PolarHBondContact O-N 2.9Å; M638-N642 PolarHBondContact O-ND2 2.65Å; M638-N642 VanDerWaalsContact O-ND2 3.12Å; N642-T644 VanDerWaalsContact C-N 3.26Å |
| 643 | A | 89.9 | Confident | 89.6 | Confident | 71 Ų | 71 | 28.7 Ų | 28.7 | 59% | 0.587 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D639 L641 | D639-A643 PolarHBondContact O-N 2.71Å; L641-A643 PolarHBondContact O-N 3.17Å |
| 644 | T | 91.8 | Very high | 90.1 | Very high | 15 Ų | 15 | 26.9 Ų | 26.9 | 9% | 0.092 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -122.4 | 163.5 | 178.2 | 70 | 0 | 0 | 0 | 0 | 112.2 | N156 S158 F433 L641 N642 P646 | N156-T644 HydrophobicContact CB-CG2 3.89Å; N156-T644 CarbonylContact O-C 3.52Å; N156-T644 WeakPolarHBondContact O-CA 3.29Å; N156-T644 WeakPolarHBondContact O-CB 3.37Å; S158-T644 WeakPolarHBondContact CB-OG1 3.4Å; S158-T644 PolarHBondContact OG-OG1 3.32Å; F433-T644 HydrophobicContact CE2-CG2 3.71Å; F433-T644 HydrophobicContact CZ-CG2 3.95Å; L641-T644 WeakPolarHBondContact O-CA 3.45Å; L641-T644 PolarHBondContact O-N 2.81Å; L641-T644 PolarHBondContact O-OG1 2.7Å; N642-T644 VanDerWaalsContact C-N 3.26Å; T644-P646 WeakPolarHBondContact O-CD 3.18Å |
| 645 | T | 89.4 | Confident | 90.4 | Very high | 24 Ų | 24 | 27 Ų | 27 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.6 | 159.5 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | N156 Q157 S158 | N156-T645 PolarHBondContact O-N 3.43Å; Q157-T645 CarbonylContact C-O 3.57Å; Q157-T645 WeakPolarHBondContact CA-O 3.41Å; S158-T645 PolarHBondContact N-O 2.86Å |
| 646 | P | 91.9 | Very high | 90.3 | Very high | 8 Ų | 8 | 27 Ų | 27 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 141.5 | 179.3 | 34.7 | -35.2 | 0 | 0 | 0 | 113.2 | S158 I160 H469 T644 Y648 | S158-P646 CarbonylContact O-C 3.53Å; S158-P646 WeakPolarHBondContact O-CA 3.11Å; I160-P646 HydrophobicContact CD1-CB 3.92Å; H469-P646 HydrophobicContact CB-CG 4.2Å; T644-P646 WeakPolarHBondContact O-CD 3.18Å; P646-Y648 HydrophobicContact CB-CE1 4.33Å; P646-Y648 HydrophobicContact CB-CE2 3.88Å; P646-Y648 WeakPolarHBondContact CB-OH 3.32Å; P646-Y648 HydrophobicContact CG-CE2 3.83Å; P646-Y648 VanDerWaalsContact CG-OH 3.3Å; P646-Y648 WeakPolarHBondContact CG-OH 3.17Å |
| 647 | H | 92.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.3 | 174.8 | -62.3 | -102.9 | 0 | 0 | 0 | 108.3 | V142 Q149 Q157 S158 I159 I160 | V142-H647 HydrophobicContact CG1-CB 3.89Å; Q149-H647 PolarHBondContact OE1-CE1 2.78Å; Q149-H647 PolarHBondContact OE1-NE2 2.9Å; Q157-H647 PolarHBondContact OE1-NE2 3Å; S158-H647 PolarHBondContact O-N 3.41Å; I159-H647 CarbonylContact C-O 3.56Å; I159-H647 WeakPolarHBondContact CA-O 3.28Å; I159-H647 HydrophobicContact CG1-CB 4.21Å; I160-H647 PolarHBondContact N-O 2.89Å |
| 648 | Y | 92 | Very high | 90.2 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.1 | -164.4 | -67 | -75.9 | 0 | 0 | 0 | 113.9 | I105 L107 I160 F466 P646 | I105-Y648 HydrophobicContact CD1-CD2 4.27Å; L107-Y648 PolarHBondContact N-O 2.88Å; I160-Y648 HydrophobicContact CB-CD1 3.92Å; I160-Y648 HydrophobicContact CB-CE1 4.04Å; I160-Y648 HydrophobicContact CD1-CD1 4.4Å; I160-Y648 HydrophobicContact CD1-CE1 3.66Å; I160-Y648 HydrophobicContact CG1-CE1 4.39Å; I160-Y648 HydrophobicContact CG2-CD1 4.15Å; I160-Y648 HydrophobicContact CG2-CE1 4.21Å; F466-Y648 WeakPolarHBondContact CA-OH 3.21Å; F466-Y648 HydrophobicContact CB-CE1 4.12Å; F466-Y648 AromaticContact CD2-CD1 3.64Å; F466-Y648 HydrophobicContact CD2-CD1 3.64Å; F466-Y648 AromaticContact CD2-CD2 3.63Å; F466-Y648 HydrophobicContact CD2-CD2 3.63Å; F466-Y648 AromaticContact CD2-CE1 3.67Å; F466-Y648 HydrophobicContact CD2-CE1 3.67Å; F466-Y648 AromaticContact CD2-CE2 3.67Å; F466-Y648 HydrophobicContact CD2-CE2 3.67Å; F466-Y648 AromaticContact CD2-CG 3.61Å; F466-Y648 HydrophobicContact CD2-CG 3.61Å; F466-Y648 AromaticContact CD2-CZ 3.69Å; F466-Y648 HydrophobicContact CE2-CD1 4.26Å; F466-Y648 AromaticContact CE2-CD2 3.84Å; F466-Y648 HydrophobicContact CE2-CD2 3.84Å; F466-Y648 HydrophobicContact CE2-CE2 4.28Å; F466-Y648 AromaticContact CE2-CG 3.83Å; F466-Y648 HydrophobicContact CE2-CG 3.83Å; F466-Y648 HydrophobicContact CG-CE1 4.4Å; P646-Y648 HydrophobicContact CB-CE1 4.33Å; P646-Y648 HydrophobicContact CB-CE2 3.88Å; P646-Y648 WeakPolarHBondContact CB-OH 3.32Å; P646-Y648 HydrophobicContact CG-CE2 3.83Å; P646-Y648 VanDerWaalsContact CG-OH 3.3Å; P646-Y648 WeakPolarHBondContact CG-OH 3.17Å |
| 649 | V | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.9 | 174.3 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | L107 A109 I139 V142 I159 I160 V161 S162 | L107-V649 HydrophobicContact CB-CG2 4.45Å; L107-V649 HydrophobicContact CD2-CG1 4.44Å; L107-V649 WeakPolarHBondContact O-CA 3.35Å; A109-V649 HydrophobicContact CB-CG1 4.38Å; I139-V649 HydrophobicContact CD1-CG1 4.36Å; I139-V649 HydrophobicContact CD1-CG2 3.83Å; V142-V649 HydrophobicContact CG1-CG2 4.38Å; I159-V649 HydrophobicContact CG2-CG2 4.04Å; I160-V649 PolarHBondContact O-N 3.25Å; V161-V649 HydrophobicContact CG1-CB 4.31Å; V161-V649 HydrophobicContact CG1-CG1 4.31Å; V161-V649 HydrophobicContact CG2-CB 4.31Å; S162-V649 PolarHBondContact N-O 2.99Å; S162-V649 PolarHBondContact OG-O 2.76Å |
| 650 | R | 93.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 108.3 | 178.5 | -54.7 | -58.5 | -166.2 | 153.3 | 14.8 | 109.1 | V106 L107 V108 A109 S162 C675 V677 | V106-R650 HydrophobicContact CG1-CB 4.31Å; V106-R650 HydrophobicContact CG1-CG 3.48Å; V106-R650 VanDerWaalsContact CG1-CG 3.48Å; L107-R650 PolarHBondContact O-N 3.22Å; V108-R650 WeakPolarHBondContact CA-O 3.46Å; A109-R650 PolarHBondContact N-O 3.06Å; S162-R650 WeakPolarHBondContact OG-CD 3.24Å; S162-R650 PolarHBondContact OG-NH1 2.85Å; R650-C675 HydrophobicContact CB-CB 4.34Å; R650-C675 HydrophobicContact CG-CB 4.45Å; R650-C675 PolarHBondContact NE-O 2.87Å; R650-C675 PolarHBondContact NH1-O 3.3Å; R650-C675 PolarHBondContact NH2-O 3.27Å; R650-V677 HydrophobicContact CB-CG2 4Å; R650-V677 HydrophobicContact CG-CG2 3.82Å |
| 651 | C | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 132.3 | -178.5 | -63 | 0 | 0 | 0 | 0 | 110.5 | A109 S162 G163 A167 K169 | A109-C651 CarbonylContact O-C 3.46Å; A109-C651 VanDerWaalsContact O-CA 3.29Å; A109-C651 WeakPolarHBondContact O-CA 3.24Å; S162-C651 WeakPolarHBondContact O-CB 3.49Å; S162-C651 PolarHBondContact O-N 2.77Å; G163-C651 WeakPolarHBondContact CA-O 3.21Å; A167-C651 HydrophobicContact CB-CB 3.96Å; A167-C651 WeakPolarHBondContact O-CB 3.38Å; K169-C651 HydrophobicContact CG-CB 4.11Å |
| 652 | I | 92.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.8 | -176.4 | -52.6 | -64.2 | 0 | 0 | 0 | 110.1 | V108 A109 I110 N111 P654 Q671 L672 | V108-I652 HydrophobicContact CG1-CG1 3.99Å; A109-I652 PolarHBondContact O-N 3.02Å; I110-I652 WeakPolarHBondContact CA-O 3.32Å; I110-I652 HydrophobicContact CG1-CB 4.42Å; N111-I652 PolarHBondContact N-O 3.22Å; I652-P654 WeakPolarHBondContact O-CD 3.48Å; I652-Q671 HydrophobicContact CD1-CB 3.88Å; I652-Q671 HydrophobicContact CG2-CB 4.31Å; I652-L672 HydrophobicContact CD1-CD2 4.22Å |
| 653 | K | 91.3 | Very high | 91 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.013 | 19% | 0.188 | C | C | . | . | trans | -84.7 | 110.7 | 169.9 | -171.2 | -172.3 | -175 | -167.6 | 0 | 108.7 | Y113 A167 R213 N655 D656 Q671 | Y113-K653 WeakPolarHBondContact OH-CE 3.35Å; Y113-K653 WeakPolarHBondContact OH-CG 3.49Å; A167-K653 HydrophobicContact CB-CB 4.15Å; R213-K653 PolarHBondContact O-NZ 2.81Å; K653-N655 VanDerWaalsContact CE-O 3.28Å; K653-N655 WeakPolarHBondContact CE-O 3.32Å; K653-N655 WeakPolarHBondContact CG-O 3.22Å; K653-D656 IonicContact NZ-OD1 2.78Å; K653-D656 PolarHBondContact NZ-OD1 3.5Å; K653-Q671 PolarHBondContact O-NE2 2.97Å | ||
| 654 | P | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -79.4 | -25.9 | -171.3 | 31.8 | -36.5 | 0 | 0 | 0 | 114 | F93 I110 N111 I652 S662 F663 D664 | F93-P654 HydrophobicContact CE1-CB 3.96Å; F93-P654 HydrophobicContact CE1-CG 4.04Å; F93-P654 HydrophobicContact CZ-CB 4.08Å; F93-P654 HydrophobicContact CZ-CG 3.71Å; I110-P654 HydrophobicContact CG2-CB 3.66Å; I110-P654 HydrophobicContact CG2-CG 3.82Å; N111-P654 VanDerWaalsContact O-CD 3.28Å; N111-P654 WeakPolarHBondContact O-CD 3.41Å; N111-P654 WeakPolarHBondContact O-CG 3.25Å; I652-P654 WeakPolarHBondContact O-CD 3.48Å; P654-S662 WeakPolarHBondContact CB-O 3.18Å; P654-F663 HydrophobicContact CB-CB 4.48Å; P654-F663 HydrophobicContact CB-CD2 3.79Å; P654-F663 HydrophobicContact CB-CG 4.43Å; P654-D664 PolarHBondContact O-N 3.34Å | ||
| 655 | N | 90.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.032 | 17% | 0.17 | C | C | . | . | trans | -145.4 | 156.4 | 175.2 | 69.6 | 81.5 | 0 | 0 | 0 | 109.9 | K653 L657 K658 E659 S662 | K653-N655 VanDerWaalsContact CE-O 3.28Å; K653-N655 WeakPolarHBondContact CE-O 3.32Å; K653-N655 WeakPolarHBondContact CG-O 3.22Å; N655-L657 PolarHBondContact OD1-N 3.37Å; N655-L657 VanDerWaalsContact OD1-N 3.17Å; N655-K658 PolarHBondContact OD1-N 2.8Å; N655-E659 PolarHBondContact ND2-O 3.36Å; N655-E659 PolarHBondContact OD1-N 2.81Å; N655-S662 PolarHBondContact ND2-O 3.21Å | ||
| 656 | D | 85.7 | Confident | 91.2 | Very high | 67 Ų | 67 | 36.5 Ų | 36.5 | 36% | 0.358 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -83.5 | -21.8 | 178.4 | -79.3 | -69.5 | 0 | 0 | 0 | 114.7 | K653 K658 R667 | K653-D656 IonicContact NZ-OD1 2.78Å; K653-D656 PolarHBondContact NZ-OD1 3.5Å; D656-K658 VanDerWaalsContact C-N 3.26Å; D656-K658 PolarHBondContact O-N 2.89Å; D656-R667 IonicContact OD1-CZ 2.88Å; D656-R667 IonicContact OD1-NH1 3.64Å; D656-R667 PolarHBondContact OD1-NH1 3.32Å; D656-R667 IonicContact OD1-NH2 3.25Å; D656-R667 IonicContact OD2-CZ 3.68Å; D656-R667 IonicContact OD2-NH1 2.76Å; D656-R667 PolarHBondContact OD2-NH1 3Å |
| 657 | L | 85.9 | Confident | 91 | Very high | 134 Ų | 134 | 37.2 Ų | 37.2 | 70% | 0.702 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -76.4 | -6.1 | -174.3 | -62.2 | 176.2 | 0 | 0 | 0 | 114.4 | N655 E659 | N655-L657 PolarHBondContact OD1-N 3.37Å; N655-L657 VanDerWaalsContact OD1-N 3.17Å; L657-E659 HydrophobicContact CB-CG 3.91Å; L657-E659 PolarHBondContact O-N 2.92Å |
| 658 | K | 84.7 | Confident | 90.9 | Very high | 94 Ų | 94 | 36.4 Ų | 36.4 | 41% | 0.409 | 18% | 0.183 | S | C | . | . | trans | 65.1 | 24.4 | -174.2 | -46.7 | 167.7 | -170.5 | 169.3 | 0 | 113.3 | Y113 D215 N655 D656 | Y113-K658 WeakPolarHBondContact CB-O 3.24Å; Y113-K658 HydrophobicContact CD1-CB 3.86Å; Y113-K658 HydrophobicContact CE1-CB 3.74Å; Y113-K658 HydrophobicContact CE1-CG 3.93Å; Y113-K658 HydrophobicContact CG-CB 4.39Å; D215-K658 IonicContact OD1-NZ 2.68Å; D215-K658 PolarHBondContact OD1-NZ 2.95Å; D215-K658 IonicContact OD2-NZ 3.71Å; D215-K658 PolarHBondContact OD2-NZ 3.02Å; N655-K658 PolarHBondContact OD1-N 2.8Å; D656-K658 VanDerWaalsContact C-N 3.26Å; D656-K658 PolarHBondContact O-N 2.89Å | ||
| 659 | E | 88.1 | Confident | 90.8 | Very high | 92 Ų | 92 | 36.4 Ų | 36.4 | 43% | 0.43 | 18% | 0.183 | S | C | . | . | trans | -71.2 | 136 | 177.7 | -74.1 | 176.3 | 163.7 | 0 | 0 | 111.5 | N655 L657 F661 S662 | N655-E659 PolarHBondContact ND2-O 3.36Å; N655-E659 PolarHBondContact OD1-N 2.81Å; L657-E659 HydrophobicContact CB-CG 3.91Å; L657-E659 PolarHBondContact O-N 2.92Å; E659-F661 PolarHBondContact O-N 3.14Å; E659-S662 VanDerWaalsContact CB-CB 3.44Å; E659-S662 WeakPolarHBondContact OE2-CB 3.49Å; E659-S662 PolarHBondContact OE2-OG 2.91Å | ||
| 660 | A | 92.1 | Very high | 90.3 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 46% | 0.463 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 129.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P112 E114 S662 | P112-A660 WeakPolarHBondContact O-CA 3.5Å; E114-A660 HydrophobicContact CB-CB 4.35Å; A660-S662 PolarHBondContact O-N 2.83Å |
| 661 | F | 93.4 | Very high | 90 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 13% | 0.127 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 26.2 | 179.5 | -71.3 | -78.2 | 0 | 0 | 0 | 116.4 | F93 L94 N97 I99 P112 E114 L116 E659 | F93-F661 HydrophobicContact CD2-CD1 4.22Å; F93-F661 HydrophobicContact CD2-CE1 4.37Å; F93-F661 HydrophobicContact CE1-CD1 4.25Å; F93-F661 AromaticContact CE2-CD1 3.91Å; F93-F661 HydrophobicContact CE2-CD1 3.91Å; F93-F661 HydrophobicContact CE2-CE1 4.14Å; F93-F661 AromaticContact CZ-CD1 3.93Å; F93-F661 HydrophobicContact CZ-CD1 3.93Å; F93-F661 WeakPolarHBondContact O-CD1 3.23Å; L94-F661 WeakPolarHBondContact CD2-O 3.1Å; N97-F661 HydrophobicContact CB-CE1 3.73Å; N97-F661 HydrophobicContact CB-CZ 3.78Å; I99-F661 HydrophobicContact CG2-CE1 4.12Å; I99-F661 HydrophobicContact CG2-CZ 4.48Å; P112-F661 HydrophobicContact CB-CE1 4.08Å; P112-F661 HydrophobicContact CB-CE2 4.11Å; P112-F661 HydrophobicContact CB-CZ 3.8Å; P112-F661 PolarHBondContact O-N 2.9Å; E114-F661 HydrophobicContact CB-CD2 4.49Å; E114-F661 HydrophobicContact CB-CE2 4.13Å; E114-F661 WeakPolarHBondContact OE2-CD2 3.47Å; E114-F661 WeakPolarHBondContact OE2-CE2 3.2Å; L116-F661 HydrophobicContact CD1-CZ 4.02Å; L116-F661 HydrophobicContact CD2-CE2 3.9Å; L116-F661 HydrophobicContact CD2-CZ 3.78Å; L116-F661 HydrophobicContact CG-CZ 4.47Å; E659-F661 PolarHBondContact O-N 3.14Å |
| 662 | S | 93.7 | Very high | 89.8 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 26% | 0.259 | 20% | 0.202 | S | C | . | . | trans | -94.9 | 141.3 | 173.6 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | P654 N655 E659 A660 | P654-S662 WeakPolarHBondContact CB-O 3.18Å; N655-S662 PolarHBondContact ND2-O 3.21Å; E659-S662 VanDerWaalsContact CB-CB 3.44Å; E659-S662 WeakPolarHBondContact OE2-CB 3.49Å; E659-S662 PolarHBondContact OE2-OG 2.91Å; A660-S662 PolarHBondContact O-N 2.83Å | ||
| 663 | F | 92.9 | Very high | 89.3 | Confident | 24 Ų | 24 | 45.6 Ų | 45.6 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | trans | -139.2 | 111.9 | -169 | -170.9 | -80.8 | 0 | 0 | 0 | 112.8 | L86 R90 F93 L94 I110 P654 A668 | L86-F663 HydrophobicContact CD1-CE1 3.91Å; L86-F663 HydrophobicContact CD1-CZ 4Å; R90-F663 HydrophobicContact CB-CD1 4.11Å; R90-F663 HydrophobicContact CB-CE1 3.79Å; R90-F663 HydrophobicContact CB-CZ 4.06Å; R90-F663 HydrophobicContact CG-CD1 3.83Å; R90-F663 HydrophobicContact CG-CE1 4.01Å; R90-F663 HydrophobicContact CG-CG 4.37Å; F93-F663 HydrophobicContact CD1-CB 4.05Å; F93-F663 AromaticContact CD1-CD2 3.73Å; F93-F663 HydrophobicContact CD1-CD2 3.73Å; F93-F663 HydrophobicContact CD1-CG 4.34Å; F93-F663 HydrophobicContact CE1-CB 4.22Å; F93-F663 HydrophobicContact CE1-CD2 4.23Å; F93-F663 HydrophobicContact CG-CD2 4.34Å; L94-F663 HydrophobicContact CD1-CB 4.34Å; L94-F663 HydrophobicContact CD2-CB 3.93Å; L94-F663 HydrophobicContact CG-CB 4.3Å; I110-F663 HydrophobicContact CD1-CE2 4.36Å; P654-F663 HydrophobicContact CB-CB 4.48Å; P654-F663 HydrophobicContact CB-CD2 3.79Å; P654-F663 HydrophobicContact CB-CG 4.43Å; F663-A668 HydrophobicContact CE1-CB 3.77Å; F663-A668 HydrophobicContact CE2-CB 4.13Å; F663-A668 HydrophobicContact CZ-CB 3.47Å; F663-A668 VanDerWaalsContact CZ-CB 3.47Å | ||
| 664 | D | 93.3 | Very high | 88.6 | Confident | 52 Ų | 52 | 46 Ų | 46 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | trans | -90 | 116.6 | 169.3 | 171.8 | 31.4 | 0 | 0 | 0 | 111.2 | P654 R666 R667 A668 | P654-D664 PolarHBondContact O-N 3.34Å; D664-R666 VanDerWaalsContact C-N 3.27Å; D664-R666 PolarHBondContact O-N 3.18Å; D664-R666 WeakPolarHBondContact OD1-CB 3.47Å; D664-R666 PolarHBondContact OD1-N 2.79Å; D664-R667 HydrophobicContact CB-CB 4.31Å; D664-R667 PolarHBondContact O-N 2.96Å; D664-R667 WeakPolarHBondContact OD2-CB 3.31Å; D664-R667 PolarHBondContact OD2-N 3.01Å; D664-A668 VanDerWaalsContact O-CB 3.27Å; D664-A668 WeakPolarHBondContact O-CB 3.5Å; D664-A668 PolarHBondContact O-N 3.45Å | ||
| 665 | S | 92.1 | Very high | 87.9 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.7 | -37.7 | 174.2 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | D20 R90 V669 | D20-S665 WeakPolarHBondContact O-CB 3.42Å; D20-S665 PolarHBondContact O-OG 3.08Å; R90-S665 PolarHBondContact NH1-OG 3.41Å; S665-V669 WeakPolarHBondContact O-CG2 3.15Å; S665-V669 PolarHBondContact O-N 3.2Å |
| 666 | R | 89.6 | Confident | 87.2 | Confident | 123 Ų | 123 | 46.1 Ų | 46.1 | 46% | 0.464 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.2 | -53.5 | -178.1 | -74.3 | 179.9 | -74.6 | -143.8 | -2.1 | 110.7 | P18 D19 V21 D664 A668 V669 Q670 | P18-R666 PolarHBondContact O-NH1 2.95Å; D19-R666 PolarHBondContact O-NE 3.07Å; D19-R666 IonicContact OD1-CZ 2.75Å; D19-R666 IonicContact OD1-NH1 2.76Å; D19-R666 PolarHBondContact OD1-NH1 3.07Å; D19-R666 IonicContact OD1-NH2 3.33Å; V21-R666 HydrophobicContact CG2-CB 4.23Å; V21-R666 HydrophobicContact CG2-CG 3.58Å; D664-R666 VanDerWaalsContact C-N 3.27Å; D664-R666 PolarHBondContact O-N 3.18Å; D664-R666 WeakPolarHBondContact OD1-CB 3.47Å; D664-R666 PolarHBondContact OD1-N 2.79Å; R666-A668 VanDerWaalsContact C-N 3.32Å; R666-A668 PolarHBondContact O-N 2.99Å; R666-V669 PolarHBondContact O-N 3.4Å; R666-Q670 PolarHBondContact O-N 2.96Å; R666-Q670 VanDerWaalsContact O-N 3.1Å |
| 667 | R | 86.4 | Confident | 87.1 | Confident | 22 Ų | 22 | 43 Ų | 43 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -30.7 | 178.5 | -169.7 | 50.7 | 174.8 | -89.6 | 2.3 | 113.2 | E164 D656 D664 Q671 | E164-R667 IonicContact OE1-NE 3.3Å; E164-R667 IonicContact OE2-CZ 3.77Å; E164-R667 VanDerWaalsContact OE2-CZ 3.25Å; E164-R667 IonicContact OE2-NE 2.7Å; E164-R667 PolarHBondContact OE2-NE 2.76Å; E164-R667 IonicContact OE2-NH2 2.7Å; E164-R667 PolarHBondContact OE2-NH2 2.96Å; D656-R667 IonicContact OD1-CZ 2.88Å; D656-R667 IonicContact OD1-NH1 3.64Å; D656-R667 PolarHBondContact OD1-NH1 3.32Å; D656-R667 IonicContact OD1-NH2 3.25Å; D656-R667 IonicContact OD2-CZ 3.68Å; D656-R667 IonicContact OD2-NH1 2.76Å; D656-R667 PolarHBondContact OD2-NH1 3Å; D664-R667 HydrophobicContact CB-CB 4.31Å; D664-R667 PolarHBondContact O-N 2.96Å; D664-R667 WeakPolarHBondContact OD2-CB 3.31Å; D664-R667 PolarHBondContact OD2-N 3.01Å; R667-Q671 PolarHBondContact O-N 2.81Å; R667-Q671 PolarHBondContact O-NE2 3.14Å |
| 668 | A | 90.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.5 | -47.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L86 F663 D664 R666 Q670 Q671 L672 | L86-A668 HydrophobicContact CD1-CB 3.87Å; F663-A668 HydrophobicContact CE1-CB 3.77Å; F663-A668 HydrophobicContact CE2-CB 4.13Å; F663-A668 HydrophobicContact CZ-CB 3.47Å; F663-A668 VanDerWaalsContact CZ-CB 3.47Å; D664-A668 VanDerWaalsContact O-CB 3.27Å; D664-A668 WeakPolarHBondContact O-CB 3.5Å; D664-A668 PolarHBondContact O-N 3.45Å; R666-A668 VanDerWaalsContact C-N 3.32Å; R666-A668 PolarHBondContact O-N 2.99Å; A668-Q670 VanDerWaalsContact C-N 3.35Å; A668-Q670 PolarHBondContact O-N 3.15Å; A668-Q671 PolarHBondContact O-N 3.24Å; A668-L672 VanDerWaalsContact O-CG 3.29Å; A668-L672 WeakPolarHBondContact O-CG 3.45Å; A668-L672 PolarHBondContact O-N 3.26Å |
| 669 | V | 89.3 | Confident | 86.4 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 177.3 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | V21 E82 L86 S665 R666 Q671 L672 R673 | V21-V669 HydrophobicContact CB-CG2 4.47Å; V21-V669 HydrophobicContact CG1-CG2 4.32Å; V21-V669 HydrophobicContact CG2-CG2 4.26Å; E82-V669 HydrophobicContact CG-CG1 4.31Å; E82-V669 HydrophobicContact CG-CG2 4.43Å; L86-V669 HydrophobicContact CB-CG2 4.49Å; L86-V669 HydrophobicContact CD1-CG2 3.74Å; L86-V669 HydrophobicContact CD2-CG2 3.55Å; L86-V669 HydrophobicContact CG-CG2 4.12Å; S665-V669 WeakPolarHBondContact O-CG2 3.15Å; S665-V669 PolarHBondContact O-N 3.2Å; R666-V669 PolarHBondContact O-N 3.4Å; V669-Q671 VanDerWaalsContact C-N 3.32Å; V669-Q671 PolarHBondContact O-N 3.09Å; V669-L672 PolarHBondContact O-N 2.93Å; V669-R673 WeakPolarHBondContact O-CG 3.33Å; V669-R673 PolarHBondContact O-N 2.82Å |
| 670 | Q | 84.4 | Confident | 85.8 | Confident | 91 Ų | 91 | 30.9 Ų | 30.9 | 43% | 0.425 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -55.6 | -47 | 176.7 | -173.7 | 176.9 | 16.7 | 0 | 0 | 111.5 | R666 A668 R673 A674 | R666-Q670 PolarHBondContact O-N 2.96Å; R666-Q670 VanDerWaalsContact O-N 3.1Å; A668-Q670 VanDerWaalsContact C-N 3.35Å; A668-Q670 PolarHBondContact O-N 3.15Å; Q670-R673 PolarHBondContact O-N 3.13Å; Q670-A674 WeakPolarHBondContact O-CB 3.43Å; Q670-A674 PolarHBondContact O-N 2.63Å |
| 671 | Q | 87.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.2 | -35.3 | 178 | -77.6 | 169 | 93.5 | 0 | 0 | 113.8 | E164 I652 K653 R667 A668 V669 R673 A674 C675 | E164-Q671 HydrophobicContact CG-CG 3.87Å; E164-Q671 VanDerWaalsContact OE1-CG 3.23Å; E164-Q671 WeakPolarHBondContact OE1-CG 3.43Å; I652-Q671 HydrophobicContact CD1-CB 3.88Å; I652-Q671 HydrophobicContact CG2-CB 4.31Å; K653-Q671 PolarHBondContact O-NE2 2.97Å; R667-Q671 PolarHBondContact O-N 2.81Å; R667-Q671 PolarHBondContact O-NE2 3.14Å; A668-Q671 PolarHBondContact O-N 3.24Å; V669-Q671 VanDerWaalsContact C-N 3.32Å; V669-Q671 PolarHBondContact O-N 3.09Å; Q671-R673 PolarHBondContact O-N 3.37Å; Q671-A674 PolarHBondContact O-N 3.18Å; Q671-C675 VanDerWaalsContact O-CB 3.24Å; Q671-C675 WeakPolarHBondContact O-CB 3.39Å; Q671-C675 PolarHBondContact O-N 2.93Å; Q671-C675 PolarHBondContact O-SG 3.06Å |
| 672 | L | 88.3 | Confident | 84.4 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.1 | -29 | 176.3 | -70.2 | 165.8 | 0 | 0 | 0 | 112 | V85 L86 L89 I652 A668 V669 V677 L678 | V85-L672 HydrophobicContact CG1-CD1 4.27Å; L86-L672 HydrophobicContact CD1-CD1 4.49Å; L89-L672 HydrophobicContact CD1-CD1 4.03Å; L89-L672 HydrophobicContact CD1-CD2 3.89Å; I652-L672 HydrophobicContact CD1-CD2 4.22Å; A668-L672 VanDerWaalsContact O-CG 3.29Å; A668-L672 WeakPolarHBondContact O-CG 3.45Å; A668-L672 PolarHBondContact O-N 3.26Å; V669-L672 PolarHBondContact O-N 2.93Å; L672-V677 HydrophobicContact CD2-CB 4.06Å; L672-V677 HydrophobicContact CD2-CG1 3.87Å; L672-V677 HydrophobicContact CD2-CG2 4.42Å; L672-V677 WeakPolarHBondContact O-CB 3.38Å; L672-V677 PolarHBondContact O-N 3.45Å; L672-V677 VanDerWaalsContact O-N 3.1Å; L672-L678 HydrophobicContact CB-CD1 4.28Å; L672-L678 HydrophobicContact CB-CD2 4.09Å; L672-L678 HydrophobicContact CB-CG 3.87Å; L672-L678 PolarHBondContact O-N 2.83Å |
| 673 | R | 82.6 | Confident | 83.4 | Confident | 116 Ų | 116 | 31.8 Ų | 31.8 | 44% | 0.438 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -72.3 | -53.8 | 166.5 | -65 | 174.2 | -172.2 | 166.3 | 4.2 | 110.9 | E82 V669 Q670 Q671 C675 G676 L678 | E82-R673 IonicContact OE1-CZ 2.6Å; E82-R673 IonicContact OE1-NH2 3.3Å; E82-R673 PolarHBondContact OE1-NH2 3.41Å; E82-R673 IonicContact OE2-CZ 3.62Å; E82-R673 VanDerWaalsContact OE2-CZ 3.25Å; E82-R673 IonicContact OE2-NE 3.44Å; E82-R673 PolarHBondContact OE2-NE 3.48Å; E82-R673 IonicContact OE2-NH2 2.76Å; E82-R673 PolarHBondContact OE2-NH2 3.3Å; V669-R673 WeakPolarHBondContact O-CG 3.33Å; V669-R673 PolarHBondContact O-N 2.82Å; Q670-R673 PolarHBondContact O-N 3.13Å; Q671-R673 PolarHBondContact O-N 3.37Å; R673-C675 VanDerWaalsContact C-N 3.28Å; R673-C675 PolarHBondContact O-N 3.43Å; R673-G676 PolarHBondContact O-N 3.42Å; R673-L678 HydrophobicContact CG-CD1 3.68Å |
| 674 | A | 76.8 | Confident | 82.5 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 11% | 0.107 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.5 | -27.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | F442 F553 A554 Q670 Q671 G676 | F442-A674 HydrophobicContact CB-CB 4.3Å; F442-A674 HydrophobicContact CD1-CB 4.48Å; F553-A674 WeakPolarHBondContact CE2-O 3.34Å; F553-A674 WeakPolarHBondContact CZ-O 3.07Å; A554-A674 HydrophobicContact CB-CB 4.43Å; Q670-A674 WeakPolarHBondContact O-CB 3.43Å; Q670-A674 PolarHBondContact O-N 2.63Å; Q671-A674 PolarHBondContact O-N 3.18Å; A674-G676 VanDerWaalsContact C-N 3.32Å |
| 675 | C | 77.6 | Confident | 81.6 | Confident | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 4.3 | 174.8 | -62.9 | 0 | 0 | 0 | 0 | 113.5 | R650 Q671 R673 V677 | R650-C675 HydrophobicContact CB-CB 4.34Å; R650-C675 HydrophobicContact CG-CB 4.45Å; R650-C675 PolarHBondContact NE-O 2.87Å; R650-C675 PolarHBondContact NH1-O 3.3Å; R650-C675 PolarHBondContact NH2-O 3.27Å; Q671-C675 VanDerWaalsContact O-CB 3.24Å; Q671-C675 WeakPolarHBondContact O-CB 3.39Å; Q671-C675 PolarHBondContact O-N 2.93Å; Q671-C675 PolarHBondContact O-SG 3.06Å; R673-C675 VanDerWaalsContact C-N 3.28Å; R673-C675 PolarHBondContact O-N 3.43Å; C675-V677 HydrophobicContact CB-CG2 3.98Å; C675-V677 PolarHBondContact O-N 3.49Å; C675-V677 VanDerWaalsContact O-N 3.16Å |
| 676 | G | 76.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 6.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R673 A674 E679 T680 | R673-G676 PolarHBondContact O-N 3.42Å; A674-G676 VanDerWaalsContact C-N 3.32Å; G676-E679 PolarHBondContact O-N 2.94Å; G676-T680 PolarHBondContact O-N 2.86Å; G676-T680 PolarHBondContact O-OG1 2.88Å |
| 677 | V | 82.8 | Confident | 80.2 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.5 | -47.1 | -176 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | R650 L672 C675 E679 T680 I681 | R650-V677 HydrophobicContact CB-CG2 4Å; R650-V677 HydrophobicContact CG-CG2 3.82Å; L672-V677 HydrophobicContact CD2-CB 4.06Å; L672-V677 HydrophobicContact CD2-CG1 3.87Å; L672-V677 HydrophobicContact CD2-CG2 4.42Å; L672-V677 WeakPolarHBondContact O-CB 3.38Å; L672-V677 PolarHBondContact O-N 3.45Å; L672-V677 VanDerWaalsContact O-N 3.1Å; C675-V677 HydrophobicContact CB-CG2 3.98Å; C675-V677 PolarHBondContact O-N 3.49Å; C675-V677 VanDerWaalsContact O-N 3.16Å; V677-E679 VanDerWaalsContact C-N 3.29Å; V677-E679 PolarHBondContact O-N 2.97Å; V677-T680 VanDerWaalsContact O-CB 3.27Å; V677-T680 WeakPolarHBondContact O-CB 3.45Å; V677-T680 PolarHBondContact O-N 3Å; V677-I681 HydrophobicContact CG1-CD1 3.73Å; V677-I681 HydrophobicContact CG1-CG1 4.46Å; V677-I681 WeakPolarHBondContact O-CB 3.34Å; V677-I681 WeakPolarHBondContact O-CG1 3.44Å; V677-I681 PolarHBondContact O-N 3.47Å |
| 678 | L | 81.3 | Confident | 79.9 | Confident | 24 Ų | 24 | 26.1 Ų | 26.1 | 13% | 0.126 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.8 | -30 | 178.6 | -61.4 | -171.8 | 0 | 0 | 0 | 113.4 | E82 V85 L672 R673 I681 R682 | E82-L678 HydrophobicContact CB-CD1 3.99Å; E82-L678 HydrophobicContact CB-CD2 4.49Å; E82-L678 HydrophobicContact CG-CD1 3.61Å; E82-L678 WeakPolarHBondContact OE2-CD1 3.12Å; V85-L678 HydrophobicContact CB-CD2 4.34Å; V85-L678 HydrophobicContact CG1-CD2 4.11Å; L672-L678 HydrophobicContact CB-CD1 4.28Å; L672-L678 HydrophobicContact CB-CD2 4.09Å; L672-L678 HydrophobicContact CB-CG 3.87Å; L672-L678 PolarHBondContact O-N 2.83Å; R673-L678 HydrophobicContact CG-CD1 3.68Å; L678-I681 HydrophobicContact CD2-CD1 4.48Å; L678-I681 PolarHBondContact O-N 3.3Å; L678-R682 WeakPolarHBondContact O-CB 3.42Å; L678-R682 PolarHBondContact O-N 2.98Å |
| 679 | E | 74.2 | Confident | 79.2 | Confident | 37 Ų | 37 | 26.1 Ų | 26.1 | 17% | 0.173 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -74.7 | -39.2 | 175.4 | -176.5 | 53.5 | -152.5 | 0 | 0 | 111.6 | Y491 G676 V677 I681 R682 I683 | Y491-E679 WeakPolarHBondContact CB-OE1 3.49Å; G676-E679 PolarHBondContact O-N 2.94Å; V677-E679 VanDerWaalsContact C-N 3.29Å; V677-E679 PolarHBondContact O-N 2.97Å; E679-I681 PolarHBondContact O-N 3.41Å; E679-R682 VanDerWaalsContact CD-NE 3.34Å; E679-R682 WeakPolarHBondContact O-CB 3.22Å; E679-R682 PolarHBondContact O-N 3.49Å; E679-R682 IonicContact OE1-CZ 3.55Å; E679-R682 VanDerWaalsContact OE1-CZ 3.3Å; E679-R682 IonicContact OE1-NE 2.85Å; E679-R682 PolarHBondContact OE1-NE 3.41Å; E679-R682 VanDerWaalsContact OE1-NE 3.14Å; E679-R682 IonicContact OE1-NH2 2.63Å; E679-R682 PolarHBondContact OE1-NH2 2.85Å; E679-R682 IonicContact OE2-CZ 2.74Å; E679-R682 IonicContact OE2-NE 3.03Å; E679-R682 PolarHBondContact OE2-NE 3.14Å; E679-R682 IonicContact OE2-NH2 3.04Å; E679-I683 HydrophobicContact CG-CD1 4.38Å; E679-I683 WeakPolarHBondContact O-CG1 3.25Å; E679-I683 PolarHBondContact O-N 2.87Å |
| 680 | T | 75.6 | Confident | 78.7 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -51.6 | -50 | 167.6 | -45.2 | 0 | 0 | 0 | 0 | 110.2 | F466 V470 G676 V677 R682 I683 S684 | F466-T680 HydrophobicContact CE1-CG2 3.91Å; F466-T680 WeakPolarHBondContact CE1-OG1 3.41Å; F466-T680 HydrophobicContact CZ-CG2 3.63Å; F466-T680 WeakPolarHBondContact CZ-OG1 3.48Å; V470-T680 HydrophobicContact CG2-CG2 4.48Å; G676-T680 PolarHBondContact O-N 2.86Å; G676-T680 PolarHBondContact O-OG1 2.88Å; V677-T680 VanDerWaalsContact O-CB 3.27Å; V677-T680 WeakPolarHBondContact O-CB 3.45Å; V677-T680 PolarHBondContact O-N 3Å; T680-R682 VanDerWaalsContact C-N 3.34Å; T680-R682 PolarHBondContact O-N 2.78Å; T680-I683 PolarHBondContact O-N 2.8Å; T680-S684 PolarHBondContact O-N 2.87Å; T680-S684 PolarHBondContact O-OG 3.18Å |
| 681 | I | 78.4 | Confident | 78.7 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.6 | -36.7 | -178.3 | -73.7 | 177.4 | 0 | 0 | 0 | 111.1 | L74 L80 V85 C103 V677 L678 E679 S684 A685 | L74-I681 HydrophobicContact CD1-CD1 4.16Å; L80-I681 HydrophobicContact CD1-CG2 3.68Å; L80-I681 HydrophobicContact CD2-CG2 4.43Å; L80-I681 HydrophobicContact CG-CG2 3.66Å; V85-I681 HydrophobicContact CB-CD1 4.35Å; V85-I681 HydrophobicContact CG1-CD1 3.96Å; V85-I681 HydrophobicContact CG2-CD1 3.48Å; V85-I681 VanDerWaalsContact CG2-CD1 3.48Å; V85-I681 HydrophobicContact CG2-CG2 4.01Å; C103-I681 VanDerWaalsContact SG-CD1 3.56Å; C103-I681 WeakPolarHBondContact SG-CG1 3.48Å; V677-I681 HydrophobicContact CG1-CD1 3.73Å; V677-I681 HydrophobicContact CG1-CG1 4.46Å; V677-I681 WeakPolarHBondContact O-CB 3.34Å; V677-I681 WeakPolarHBondContact O-CG1 3.44Å; V677-I681 PolarHBondContact O-N 3.47Å; L678-I681 HydrophobicContact CD2-CD1 4.48Å; L678-I681 PolarHBondContact O-N 3.3Å; E679-I681 PolarHBondContact O-N 3.41Å; I681-S684 PolarHBondContact O-N 2.89Å; I681-A685 WeakPolarHBondContact O-CB 3.45Å; I681-A685 PolarHBondContact O-N 3.46Å |
| 682 | R | 76.9 | Confident | 78.5 | Confident | 122 Ų | 122 | 28.6 Ų | 28.6 | 46% | 0.46 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.4 | -44 | 172.7 | -164.3 | -177.4 | 73.2 | 83.4 | 4 | 111.6 | L678 E679 T680 A685 A686 | L678-R682 WeakPolarHBondContact O-CB 3.42Å; L678-R682 PolarHBondContact O-N 2.98Å; E679-R682 VanDerWaalsContact CD-NE 3.34Å; E679-R682 WeakPolarHBondContact O-CB 3.22Å; E679-R682 PolarHBondContact O-N 3.49Å; E679-R682 IonicContact OE1-CZ 3.55Å; E679-R682 VanDerWaalsContact OE1-CZ 3.3Å; E679-R682 IonicContact OE1-NE 2.85Å; E679-R682 PolarHBondContact OE1-NE 3.41Å; E679-R682 VanDerWaalsContact OE1-NE 3.14Å; E679-R682 IonicContact OE1-NH2 2.63Å; E679-R682 PolarHBondContact OE1-NH2 2.85Å; E679-R682 IonicContact OE2-CZ 2.74Å; E679-R682 IonicContact OE2-NE 3.03Å; E679-R682 PolarHBondContact OE2-NE 3.14Å; E679-R682 IonicContact OE2-NH2 3.04Å; T680-R682 VanDerWaalsContact C-N 3.34Å; T680-R682 PolarHBondContact O-N 2.78Å; R682-A685 PolarHBondContact O-N 2.85Å; R682-A686 WeakPolarHBondContact O-CB 3.31Å; R682-A686 PolarHBondContact O-N 3.23Å |
| 683 | I | 73.4 | Confident | 78.5 | Confident | 16 Ų | 16 | 30.7 Ų | 30.7 | 8% | 0.082 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 176 | -65.6 | 164.8 | 0 | 0 | 0 | 110.5 | F490 E679 T680 A685 A686 G687 | F490-I683 HydrophobicContact CB-CD1 4.43Å; E679-I683 HydrophobicContact CG-CD1 4.38Å; E679-I683 WeakPolarHBondContact O-CG1 3.25Å; E679-I683 PolarHBondContact O-N 2.87Å; T680-I683 PolarHBondContact O-N 2.8Å; I683-A685 PolarHBondContact O-N 3.43Å; I683-A686 PolarHBondContact O-N 3.01Å; I683-G687 PolarHBondContact O-N 2.84Å |
| 684 | S | 75.1 | Confident | 78.8 | Confident | 17 Ų | 17 | 25.8 Ų | 25.8 | 12% | 0.119 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 176.3 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | T680 I681 G687 P689 | T680-S684 PolarHBondContact O-N 2.87Å; T680-S684 PolarHBondContact O-OG 3.18Å; I681-S684 PolarHBondContact O-N 2.89Å; S684-G687 PolarHBondContact O-N 2.83Å; S684-P689 VanDerWaalsContact O-CD 3.32Å; S684-P689 WeakPolarHBondContact O-CD 3.29Å |
| 685 | A | 74.4 | Confident | 79.2 | Confident | 21 Ų | 21 | 28.4 Ų | 28.4 | 17% | 0.174 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.4 | -32.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L80 I681 R682 I683 G687 | L80-A685 HydrophobicContact CB-CB 4.14Å; L80-A685 HydrophobicContact CD2-CB 4.19Å; L80-A685 HydrophobicContact CG-CB 4.22Å; I681-A685 WeakPolarHBondContact O-CB 3.45Å; I681-A685 PolarHBondContact O-N 3.46Å; R682-A685 PolarHBondContact O-N 2.85Å; I683-A685 PolarHBondContact O-N 3.43Å; A685-G687 VanDerWaalsContact C-N 3.31Å |
| 686 | A | 73.9 | Confident | 79.5 | Confident | 48 Ų | 48 | 32 Ų | 32 | 40% | 0.397 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -76.9 | -15.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I488 R682 I683 R743 | I488-A686 HydrophobicContact CG2-CB 4.46Å; R682-A686 WeakPolarHBondContact O-CB 3.31Å; R682-A686 PolarHBondContact O-N 3.23Å; I683-A686 PolarHBondContact O-N 3.01Å; A686-R743 PolarHBondContact O-NH1 2.89Å |
| 687 | G | 77.4 | Confident | 80 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -84.9 | -135.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I683 S684 A685 R743 | I683-G687 PolarHBondContact O-N 2.84Å; S684-G687 PolarHBondContact O-N 2.83Å; A685-G687 VanDerWaalsContact C-N 3.31Å; G687-R743 WeakPolarHBondContact O-CD 3.42Å; G687-R743 PolarHBondContact O-NH1 2.8Å |
| 688 | Y | 80.3 | Confident | 80.2 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | trans | -121.9 | 85.9 | 170.8 | -65.6 | -92.7 | 0 | 0 | 0 | 109.4 | Y478 R691 D731 Q734 F741 F742 R743 | Y478-Y688 HydrophobicContact CE1-CD2 4.46Å; Y478-Y688 PolarHBondContact OH-N 2.7Å; Y688-R691 PolarHBondContact O-NE 3.4Å; Y688-R691 PolarHBondContact O-NH2 3.47Å; Y688-D731 WeakPolarHBondContact CE1-O 3.13Å; Y688-D731 PolarHBondContact OH-O 2.82Å; Y688-D731 VanDerWaalsContact OH-O 3.14Å; Y688-D731 PolarHBondContact OH-OD1 2.77Å; Y688-Q734 HydrophobicContact CE1-CB 4.41Å; Y688-Q734 HydrophobicContact CE1-CG 3.75Å; Y688-Q734 HydrophobicContact CE2-CG 4.04Å; Y688-Q734 VanDerWaalsContact CZ-CG 3.46Å; Y688-Q734 WeakPolarHBondContact OH-CG 3.37Å; Y688-Q734 PolarHBondContact OH-NE2 3.35Å; Y688-F741 HydrophobicContact CD1-CB 4.15Å; Y688-F741 HydrophobicContact CG-CB 4.07Å; Y688-F742 CarbonylContact C-O 3.55Å; Y688-F742 WeakPolarHBondContact CA-O 3.36Å; Y688-R743 HydrophobicContact CD1-CG 4.12Å; Y688-R743 HydrophobicContact CE1-CG 3.87Å; Y688-R743 VanDerWaalsContact CZ-NE 3.31Å; Y688-R743 PolarHBondContact OH-NE 2.99Å | ||
| 689 | P | 75.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -69.1 | -51 | -171.6 | 26 | -34.4 | 0 | 0 | 0 | 112.3 | L80 S684 R691 F742 A744 | L80-P689 HydrophobicContact CD2-CB 3.81Å; L80-P689 HydrophobicContact CD2-CG 4.49Å; S684-P689 VanDerWaalsContact O-CD 3.32Å; S684-P689 WeakPolarHBondContact O-CD 3.29Å; P689-R691 PolarHBondContact O-N 3.09Å; P689-F742 VanDerWaalsContact CD-O 3.27Å; P689-F742 WeakPolarHBondContact CD-O 3.45Å; P689-A744 HydrophobicContact CG-CB 4.47Å | ||
| 690 | S | 79.4 | Confident | 80.9 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121.3 | -173.8 | -45.7 | 0 | 0 | 0 | 0 | 111.3 | F742 | S690-F742 PolarHBondContact O-N 3.32Å |
| 691 | R | 84.5 | Confident | 81.4 | Confident | 80 Ų | 80 | 38.6 Ų | 38.6 | 30% | 0.302 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.5 | -173.8 | -62.5 | 166 | -161.9 | -176.5 | -0.2 | 109.8 | E474 Y688 P689 I740 F741 | E474-R691 IonicContact OE1-CZ 3.34Å; E474-R691 VanDerWaalsContact OE1-CZ 3.3Å; E474-R691 IonicContact OE1-NH1 3.41Å; E474-R691 PolarHBondContact OE1-NH1 3.19Å; E474-R691 IonicContact OE1-NH2 3.39Å; E474-R691 PolarHBondContact OE1-NH2 2.91Å; E474-R691 IonicContact OE2-CZ 2.66Å; E474-R691 IonicContact OE2-NH1 3.22Å; E474-R691 IonicContact OE2-NH2 2.66Å; E474-R691 PolarHBondContact OE2-NH2 2.95Å; Y688-R691 PolarHBondContact O-NE 3.4Å; Y688-R691 PolarHBondContact O-NH2 3.47Å; P689-R691 PolarHBondContact O-N 3.09Å; R691-I740 WeakPolarHBondContact CA-O 3.4Å; R691-F741 HydrophobicContact CG-CD1 3.75Å; R691-F741 HydrophobicContact CG-CE1 3.77Å; R691-F741 HydrophobicContact CG-CG 4.38Å; R691-F741 HydrophobicContact CG-CZ 4.41Å |
| 692 | W | 84.1 | Confident | 81.9 | Confident | 64 Ų | 64 | 45.1 Ų | 45.1 | 24% | 0.242 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.6 | -177.4 | -76.7 | 65.5 | 0 | 0 | 0 | 111 | D696 F697 R700 Y701 K739 I740 F742 V747 | W692-D696 HydrophobicContact CE3-CB 4.01Å; W692-D696 HydrophobicContact CZ3-CB 4.33Å; W692-F697 HydrophobicContact CB-CB 4.29Å; W692-F697 HydrophobicContact CE3-CB 4.44Å; W692-R700 HydrophobicContact CH2-CB 4.43Å; W692-R700 HydrophobicContact CH2-CG 4.12Å; W692-R700 HydrophobicContact CZ3-CB 3.91Å; W692-R700 HydrophobicContact CZ3-CG 4.11Å; W692-Y701 HydrophobicContact CZ3-CE2 4.48Å; W692-K739 CarbonylContact O-C 3.58Å; W692-K739 WeakPolarHBondContact O-CA 3.43Å; W692-I740 PolarHBondContact N-O 3Å; W692-I740 PolarHBondContact O-N 2.92Å; W692-F742 HydrophobicContact CB-CE2 4.3Å; W692-F742 HydrophobicContact CG-CE2 4.44Å; W692-V747 HydrophobicContact CZ2-CG1 4.17Å |
| 693 | T | 87.4 | Confident | 82.5 | Confident | 48 Ų | 48 | 41.9 Ų | 41.9 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 153.9 | 171.4 | 84.9 | 0 | 0 | 0 | 0 | 110.5 | P695 D696 F697 | T693-P695 VanDerWaalsContact OG1-CD 3.32Å; T693-P695 WeakPolarHBondContact OG1-CD 3.23Å; T693-D696 WeakPolarHBondContact CB-OD2 3.47Å; T693-D696 WeakPolarHBondContact CG2-OD2 3.29Å; T693-D696 PolarHBondContact O-N 3.23Å; T693-D696 PolarHBondContact OG1-N 2.98Å; T693-D696 PolarHBondContact OG1-OD2 3.43Å; T693-F697 WeakPolarHBondContact O-CB 3.44Å; T693-F697 PolarHBondContact O-N 2.88Å |
| 694 | Y | 87.9 | Confident | 83.1 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.3 | -41.9 | 174.9 | -65.7 | -77.7 | 0 | 0 | 0 | 113.3 | F698 K716 C719 F735 G736 T738 K739 I740 | Y694-F698 WeakPolarHBondContact O-CB 3.23Å; Y694-F698 PolarHBondContact O-N 2.98Å; Y694-K716 HydrophobicContact CD1-CB 4.19Å; Y694-K716 HydrophobicContact CD1-CG 3.92Å; Y694-K716 HydrophobicContact CD2-CD 4.12Å; Y694-K716 HydrophobicContact CD2-CG 4.23Å; Y694-K716 HydrophobicContact CE1-CB 4.48Å; Y694-K716 HydrophobicContact CE1-CD 4.31Å; Y694-K716 HydrophobicContact CE1-CG 3.71Å; Y694-K716 HydrophobicContact CE2-CD 3.79Å; Y694-K716 HydrophobicContact CE2-CG 4.08Å; Y694-K716 HydrophobicContact CG-CB 4.25Å; Y694-K716 HydrophobicContact CG-CG 4.18Å; Y694-K716 VanDerWaalsContact CZ-CE 3.48Å; Y694-K716 WeakPolarHBondContact OH-CE 3.47Å; Y694-C719 HydrophobicContact CD1-CB 3.86Å; Y694-C719 HydrophobicContact CE1-CB 4.37Å; Y694-F735 HydrophobicContact CE1-CD1 4.38Å; Y694-G736 PolarHBondContact OH-O 3.34Å; Y694-T738 WeakPolarHBondContact CD2-O 3.5Å; Y694-T738 VanDerWaalsContact CE2-C 3.5Å; Y694-K739 WeakPolarHBondContact CE2-O 3.39Å; Y694-K739 PolarHBondContact OH-O 3.06Å; Y694-K739 VanDerWaalsContact OH-O 3.11Å; Y694-I740 HydrophobicContact CD1-CD1 3.76Å; Y694-I740 HydrophobicContact CD1-CG1 3.7Å; Y694-I740 HydrophobicContact CE1-CD1 3.78Å; Y694-I740 HydrophobicContact CE1-CG1 3.33Å; Y694-I740 HydrophobicContact CG-CG1 4.46Å |
| 695 | P | 86.4 | Confident | 83.6 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 45% | 0.448 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -54.3 | -49.6 | 170.6 | -30 | 35.4 | 0 | 0 | 0 | 115.2 | T693 F698 S699 | T693-P695 VanDerWaalsContact OG1-CD 3.32Å; T693-P695 WeakPolarHBondContact OG1-CD 3.23Å; P695-F698 PolarHBondContact O-N 3.19Å; P695-S699 WeakPolarHBondContact O-CB 3.42Å; P695-S699 PolarHBondContact O-N 2.98Å |
| 696 | D | 83.6 | Confident | 83.8 | Confident | 82 Ų | 82 | 45.9 Ų | 45.9 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -71.8 | -43.5 | -172.7 | -54.3 | -40.7 | 0 | 0 | 0 | 110.9 | W692 T693 F698 S699 R700 | W692-D696 HydrophobicContact CE3-CB 4.01Å; W692-D696 HydrophobicContact CZ3-CB 4.33Å; T693-D696 WeakPolarHBondContact CB-OD2 3.47Å; T693-D696 WeakPolarHBondContact CG2-OD2 3.29Å; T693-D696 PolarHBondContact O-N 3.23Å; T693-D696 PolarHBondContact OG1-N 2.98Å; T693-D696 PolarHBondContact OG1-OD2 3.43Å; D696-F698 PolarHBondContact O-N 3.47Å; D696-S699 WeakPolarHBondContact O-CB 3.36Å; D696-S699 PolarHBondContact O-N 3.49Å; D696-R700 WeakPolarHBondContact O-CB 3.3Å; D696-R700 PolarHBondContact O-N 3.28Å |
| 697 | F | 87.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 174.5 | -173.2 | -89.3 | 0 | 0 | 0 | 111.4 | W692 T693 S699 R700 Y701 C719 L722 L723 I740 F742 L750 | W692-F697 HydrophobicContact CB-CB 4.29Å; W692-F697 HydrophobicContact CE3-CB 4.44Å; T693-F697 WeakPolarHBondContact O-CB 3.44Å; T693-F697 PolarHBondContact O-N 2.88Å; F697-S699 VanDerWaalsContact C-N 3.32Å; F697-S699 PolarHBondContact O-N 3.38Å; F697-R700 PolarHBondContact O-N 3.36Å; F697-Y701 HydrophobicContact CD1-CD2 4.35Å; F697-Y701 AromaticContact CD2-CD2 3.45Å; F697-Y701 HydrophobicContact CD2-CD2 3.45Å; F697-Y701 VanDerWaalsContact CD2-CD2 3.45Å; F697-Y701 AromaticContact CD2-CE2 3.68Å; F697-Y701 HydrophobicContact CD2-CE2 3.68Å; F697-Y701 HydrophobicContact CE1-CD2 4.25Å; F697-Y701 AromaticContact CE2-CD2 3.31Å; F697-Y701 HydrophobicContact CE2-CD2 3.31Å; F697-Y701 AromaticContact CE2-CE2 3.57Å; F697-Y701 HydrophobicContact CE2-CE2 3.57Å; F697-Y701 HydrophobicContact CE2-CG 4.14Å; F697-Y701 AromaticContact CG-CD2 3.97Å; F697-Y701 HydrophobicContact CG-CD2 3.97Å; F697-Y701 AromaticContact CZ-CD2 3.74Å; F697-Y701 HydrophobicContact CZ-CD2 3.74Å; F697-Y701 HydrophobicContact CZ-CE2 4.39Å; F697-Y701 HydrophobicContact CZ-CG 4.16Å; F697-Y701 WeakPolarHBondContact O-CD2 3.12Å; F697-Y701 PolarHBondContact O-N 3.1Å; F697-C719 HydrophobicContact CD1-CB 4.06Å; F697-C719 HydrophobicContact CE1-CB 4.45Å; F697-L722 HydrophobicContact CE1-CD2 4.12Å; F697-L723 HydrophobicContact CD1-CD1 4.19Å; F697-L723 HydrophobicContact CE1-CD1 3.35Å; F697-L723 HydrophobicContact CE2-CD1 4.15Å; F697-L723 HydrophobicContact CZ-CD1 3.35Å; F697-L723 HydrophobicContact CZ-CG 4.23Å; F697-I740 HydrophobicContact CB-CD1 3.96Å; F697-I740 HydrophobicContact CD1-CD1 3.82Å; F697-I740 HydrophobicContact CD2-CD1 4.22Å; F697-I740 HydrophobicContact CE1-CD1 4.43Å; F697-I740 HydrophobicContact CG-CD1 3.7Å; F697-F742 HydrophobicContact CD2-CE2 4.14Å; F697-F742 AromaticContact CD2-CZ 3.84Å; F697-F742 HydrophobicContact CD2-CZ 3.84Å; F697-F742 HydrophobicContact CE2-CE1 4.3Å; F697-F742 HydrophobicContact CE2-CE2 4.18Å; F697-F742 AromaticContact CE2-CZ 3.45Å; F697-F742 HydrophobicContact CE2-CZ 3.45Å; F697-F742 VanDerWaalsContact CE2-CZ 3.45Å; F697-F742 HydrophobicContact CZ-CZ 4.24Å; F697-L750 HydrophobicContact CE2-CD1 3.62Å; F697-L750 HydrophobicContact CZ-CD1 3.9Å |
| 698 | F | 87.5 | Confident | 83.6 | Confident | 30 Ų | 30 | 56.5 Ų | 56.5 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59 | -43.4 | 175.5 | -177.8 | -82.3 | 0 | 0 | 0 | 111.6 | Y694 P695 D696 R702 M705 K715 V718 | Y694-F698 WeakPolarHBondContact O-CB 3.23Å; Y694-F698 PolarHBondContact O-N 2.98Å; P695-F698 PolarHBondContact O-N 3.19Å; D696-F698 PolarHBondContact O-N 3.47Å; F698-R702 WeakPolarHBondContact O-CB 3.36Å; F698-R702 PolarHBondContact O-N 3.14Å; F698-M705 HydrophobicContact CD2-CE 3.69Å; F698-M705 HydrophobicContact CD2-SD 4.22Å; F698-M705 HydrophobicContact CE2-CE 4.11Å; F698-M705 HydrophobicContact CE2-SD 4.02Å; F698-M705 HydrophobicContact CG-CE 4.21Å; F698-K715 HydrophobicContact CD2-CB 4.15Å; F698-K715 HydrophobicContact CD2-CG 4.23Å; F698-K715 HydrophobicContact CE2-CG 4.38Å; F698-K715 HydrophobicContact CG-CB 4.5Å; F698-K715 HydrophobicContact CG-CG 4.43Å; F698-V718 HydrophobicContact CD2-CG1 4.19Å; F698-V718 HydrophobicContact CE2-CB 4.31Å; F698-V718 HydrophobicContact CE2-CG1 3.87Å |
| 699 | S | 85.8 | Confident | 83.1 | Confident | 91 Ų | 91 | 57 Ų | 57 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.1 | -52 | 178.9 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | P695 D696 F697 | P695-S699 WeakPolarHBondContact O-CB 3.42Å; P695-S699 PolarHBondContact O-N 2.98Å; D696-S699 WeakPolarHBondContact O-CB 3.36Å; D696-S699 PolarHBondContact O-N 3.49Å; F697-S699 VanDerWaalsContact C-N 3.32Å; F697-S699 PolarHBondContact O-N 3.38Å |
| 700 | R | 83.4 | Confident | 82.7 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 31% | 0.306 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | -174.2 | -171.7 | 70.6 | -175.9 | -154.8 | -5 | 113.3 | W692 D696 F697 E751 R754 | W692-R700 HydrophobicContact CH2-CB 4.43Å; W692-R700 HydrophobicContact CH2-CG 4.12Å; W692-R700 HydrophobicContact CZ3-CB 3.91Å; W692-R700 HydrophobicContact CZ3-CG 4.11Å; D696-R700 WeakPolarHBondContact O-CB 3.3Å; D696-R700 PolarHBondContact O-N 3.28Å; F697-R700 PolarHBondContact O-N 3.36Å; R700-E751 IonicContact CZ-OE1 3.62Å; R700-E751 IonicContact NE-OE1 3.05Å; R700-E751 PolarHBondContact NE-OE1 2.92Å; R700-E751 IonicContact NH2-OE1 3.75Å; R700-E751 PolarHBondContact NH2-OE1 3.25Å; R700-R754 PolarHBondContact O-NE 2.67Å; R700-R754 VanDerWaalsContact O-NE 3.16Å |
| 701 | Y | 87.6 | Confident | 82 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -101.8 | 8 | -171.3 | -61 | -71.9 | 0 | 0 | 0 | 114.5 | W692 F697 V703 L704 L750 E751 | W692-Y701 HydrophobicContact CZ3-CE2 4.48Å; F697-Y701 HydrophobicContact CD1-CD2 4.35Å; F697-Y701 AromaticContact CD2-CD2 3.45Å; F697-Y701 HydrophobicContact CD2-CD2 3.45Å; F697-Y701 VanDerWaalsContact CD2-CD2 3.45Å; F697-Y701 AromaticContact CD2-CE2 3.68Å; F697-Y701 HydrophobicContact CD2-CE2 3.68Å; F697-Y701 HydrophobicContact CE1-CD2 4.25Å; F697-Y701 AromaticContact CE2-CD2 3.31Å; F697-Y701 HydrophobicContact CE2-CD2 3.31Å; F697-Y701 AromaticContact CE2-CE2 3.57Å; F697-Y701 HydrophobicContact CE2-CE2 3.57Å; F697-Y701 HydrophobicContact CE2-CG 4.14Å; F697-Y701 AromaticContact CG-CD2 3.97Å; F697-Y701 HydrophobicContact CG-CD2 3.97Å; F697-Y701 AromaticContact CZ-CD2 3.74Å; F697-Y701 HydrophobicContact CZ-CD2 3.74Å; F697-Y701 HydrophobicContact CZ-CE2 4.39Å; F697-Y701 HydrophobicContact CZ-CG 4.16Å; F697-Y701 WeakPolarHBondContact O-CD2 3.12Å; F697-Y701 PolarHBondContact O-N 3.1Å; Y701-V703 PolarHBondContact O-N 3.24Å; Y701-L704 HydrophobicContact CD1-CD1 3.96Å; Y701-L704 WeakPolarHBondContact O-CB 3.42Å; Y701-L704 PolarHBondContact O-N 3.14Å; Y701-L750 HydrophobicContact CD1-CB 4.1Å; Y701-L750 HydrophobicContact CE1-CB 3.53Å; Y701-E751 HydrophobicContact CE1-CG 4.33Å |
| 702 | R | 88.2 | Confident | 81.3 | Confident | 142 Ų | 142 | 64.4 Ų | 64.4 | 54% | 0.536 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | -33 | 175.6 | -163.8 | 173.8 | 179.7 | 168.5 | 3.3 | 115 | F698 L704 M705 L710 | F698-R702 WeakPolarHBondContact O-CB 3.36Å; F698-R702 PolarHBondContact O-N 3.14Å; R702-L704 VanDerWaalsContact C-N 3.28Å; R702-L704 PolarHBondContact O-N 3.02Å; R702-M705 PolarHBondContact O-N 3.26Å; R702-L710 HydrophobicContact CG-CD2 3.76Å |
| 703 | V | 88.4 | Confident | 80.6 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -19.9 | 179.9 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | Y701 R754 K757 F758 | Y701-V703 PolarHBondContact O-N 3.24Å; V703-R754 HydrophobicContact CG1-CG 3.85Å; V703-K757 HydrophobicContact CG2-CG 4.25Å; V703-K757 WeakPolarHBondContact O-CE 3.11Å; V703-F758 HydrophobicContact CB-CZ 4.29Å; V703-F758 HydrophobicContact CG1-CE2 4.2Å; V703-F758 HydrophobicContact CG1-CZ 4.07Å; V703-F758 HydrophobicContact CG2-CD1 4.4Å; V703-F758 HydrophobicContact CG2-CE1 3.85Å; V703-F758 HydrophobicContact CG2-CZ 3.98Å |
| 704 | L | 87 | Confident | 80.4 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -30.9 | 177.4 | -64.9 | -179.7 | 0 | 0 | 0 | 112.7 | Y701 R702 L722 L726 L753 R754 K757 | Y701-L704 HydrophobicContact CD1-CD1 3.96Å; Y701-L704 WeakPolarHBondContact O-CB 3.42Å; Y701-L704 PolarHBondContact O-N 3.14Å; R702-L704 VanDerWaalsContact C-N 3.28Å; R702-L704 PolarHBondContact O-N 3.02Å; L704-L722 HydrophobicContact CB-CD1 4.19Å; L704-L722 HydrophobicContact CB-CD2 4.34Å; L704-L726 HydrophobicContact CB-CD1 4.33Å; L704-L726 HydrophobicContact CD1-CD1 3.76Å; L704-L753 HydrophobicContact CD1-CB 4.43Å; L704-L753 HydrophobicContact CD2-CB 4.29Å; L704-R754 HydrophobicContact CD2-CB 4.48Å; L704-K757 HydrophobicContact CD2-CB 4Å; L704-K757 HydrophobicContact CD2-CD 4.26Å; L704-K757 HydrophobicContact CD2-CG 4.22Å; L704-K757 PolarHBondContact O-NZ 3.06Å |
| 705 | M | 86.1 | Confident | 80 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 6% | 0.064 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -60 | 157.2 | -176.1 | -60.9 | 171.9 | -177.8 | 0 | 0 | 114.1 | F698 R702 L710 V718 L722 | F698-M705 HydrophobicContact CD2-CE 3.69Å; F698-M705 HydrophobicContact CD2-SD 4.22Å; F698-M705 HydrophobicContact CE2-CE 4.11Å; F698-M705 HydrophobicContact CE2-SD 4.02Å; F698-M705 HydrophobicContact CG-CE 4.21Å; R702-M705 PolarHBondContact O-N 3.26Å; M705-L710 HydrophobicContact CB-CD1 4.41Å; M705-L710 HydrophobicContact CB-CG 4.46Å; M705-V718 HydrophobicContact CE-CG1 3.92Å; M705-V718 HydrophobicContact SD-CG1 3.7Å; M705-L722 HydrophobicContact CE-CD2 3.85Å; M705-L722 HydrophobicContact CG-CD1 4.12Å; M705-L722 HydrophobicContact CG-CD2 3.76Å; M705-L722 HydrophobicContact CG-CG 4.4Å |
| 706 | K | 78.8 | Confident | 80 | Confident | 114 Ų | 114 | 72 Ų | 72 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | trans | -89.1 | 155.8 | 171.5 | -53.3 | 155.8 | -172.8 | 156.8 | 0 | 109.1 | S708 D709 L710 | K706-S708 WeakPolarHBondContact CB-OG 3.49Å; K706-S708 PolarHBondContact O-N 3.14Å; K706-D709 WeakPolarHBondContact CA-OD2 3.24Å; K706-D709 VanDerWaalsContact CB-OD2 3.24Å; K706-D709 WeakPolarHBondContact CB-OD2 3.14Å; K706-D709 PolarHBondContact N-OD2 3.03Å; K706-D709 PolarHBondContact O-N 2.87Å; K706-L710 PolarHBondContact O-N 2.79Å | ||
| 707 | K | 73.4 | Confident | 80.1 | Confident | 193 Ų | 193 | 72 Ų | 72 | 84% | 0.839 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.5 | -179 | -85 | -166.9 | 171.4 | -168.7 | 0 | 114.3 | D709 T711 | K707-D709 VanDerWaalsContact C-N 3.3Å; K707-T711 PolarHBondContact O-OG1 3.17Å |
| 708 | S | 72.6 | Confident | 80.1 | Confident | 78 Ų | 78 | 72 Ų | 72 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -39.7 | 172.3 | 38.4 | 0 | 0 | 0 | 0 | 112.8 | K706 T711 | K706-S708 WeakPolarHBondContact CB-OG 3.49Å; K706-S708 PolarHBondContact O-N 3.14Å; S708-T711 PolarHBondContact O-N 3.16Å; S708-T711 PolarHBondContact O-OG1 3.26Å |
| 709 | D | 70.1 | Confident | 80.1 | Confident | 27 Ų | 27 | 70.6 Ų | 70.6 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -80.5 | -34.2 | -167.2 | -32.9 | -26.4 | 0 | 0 | 0 | 109.4 | K706 K707 T711 S712 V718 | K706-D709 WeakPolarHBondContact CA-OD2 3.24Å; K706-D709 VanDerWaalsContact CB-OD2 3.24Å; K706-D709 WeakPolarHBondContact CB-OD2 3.14Å; K706-D709 PolarHBondContact N-OD2 3.03Å; K706-D709 PolarHBondContact O-N 2.87Å; K707-D709 VanDerWaalsContact C-N 3.3Å; D709-T711 PolarHBondContact O-N 3.15Å; D709-T711 VanDerWaalsContact O-N 3.11Å; D709-S712 PolarHBondContact O-N 2.9Å; D709-V718 HydrophobicContact CB-CG1 4.06Å; D709-V718 WeakPolarHBondContact O-CG2 3.4Å |
| 710 | L | 67.3 | Low | 80.2 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -62.9 | -9.2 | 173.2 | -77.3 | 146 | 0 | 0 | 0 | 114.9 | R702 M705 K706 | R702-L710 HydrophobicContact CG-CD2 3.76Å; M705-L710 HydrophobicContact CB-CD1 4.41Å; M705-L710 HydrophobicContact CB-CG 4.46Å; K706-L710 PolarHBondContact O-N 2.79Å |
| 711 | T | 64.9 | Low | 80.4 | Confident | 119 Ų | 119 | 68.2 Ų | 68.2 | 73% | 0.73 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -96.9 | -6.7 | 177.3 | 11.5 | 0 | 0 | 0 | 0 | 114.2 | K707 S708 D709 | K707-T711 PolarHBondContact O-OG1 3.17Å; S708-T711 PolarHBondContact O-N 3.16Å; S708-T711 PolarHBondContact O-OG1 3.26Å; D709-T711 PolarHBondContact O-N 3.15Å; D709-T711 VanDerWaalsContact O-N 3.11Å |
| 712 | S | 69.1 | Low | 80.3 | Confident | 62 Ų | 62 | 68.4 Ų | 68.4 | 43% | 0.434 | 36% | 0.358 | S | S | . | . | trans | -78.7 | 140.7 | 173 | -178 | 0 | 0 | 0 | 0 | 111.1 | D709 D714 | D709-S712 PolarHBondContact O-N 2.9Å; S712-D714 PolarHBondContact OG-N 3.33Å | ||
| 713 | A | 69.8 | Low | 80.3 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 87% | 0.868 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -74.6 | -29.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K715 | A713-K715 PolarHBondContact O-N 3.09Š|
| 714 | D | 82.6 | Confident | 80.3 | Confident | 78 Ų | 78 | 64.1 Ų | 64.1 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | trans | -82.4 | 103.1 | 178.9 | -179.5 | 20 | 0 | 0 | 0 | 111.7 | S712 K716 Q717 V718 | S712-D714 PolarHBondContact OG-N 3.33Å; D714-K716 VanDerWaalsContact C-N 3.27Å; D714-K716 PolarHBondContact O-N 3.45Å; D714-K716 VanDerWaalsContact OD1-CB 3.31Å; D714-K716 WeakPolarHBondContact OD1-CB 3.39Å; D714-K716 PolarHBondContact OD1-N 3.4Å; D714-Q717 HydrophobicContact CB-CB 4.44Å; D714-Q717 WeakPolarHBondContact OD2-CB 3.29Å; D714-Q717 PolarHBondContact OD2-N 2.97Å; D714-V718 VanDerWaalsContact O-CG2 3.31Å; D714-V718 WeakPolarHBondContact O-CG2 3.36Å; D714-V718 PolarHBondContact O-N 2.9Å | ||
| 715 | K | 81.1 | Confident | 80.2 | Confident | 110 Ų | 110 | 67 Ų | 67 | 48% | 0.478 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.6 | -33.9 | 173.5 | -60.6 | 177.4 | -173.8 | 172.7 | 0 | 112.3 | F698 A713 V718 C719 | F698-K715 HydrophobicContact CD2-CB 4.15Å; F698-K715 HydrophobicContact CD2-CG 4.23Å; F698-K715 HydrophobicContact CE2-CG 4.38Å; F698-K715 HydrophobicContact CG-CB 4.5Å; F698-K715 HydrophobicContact CG-CG 4.43Å; A713-K715 PolarHBondContact O-N 3.09Å; K715-V718 PolarHBondContact O-N 3.25Å; K715-C719 PolarHBondContact O-N 3.36Å; K715-C719 PolarHBondContact O-SG 2.88Å |
| 716 | K | 86.4 | Confident | 80.2 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.1 | -52.4 | -177.5 | 179.3 | 162.8 | -176.3 | 167.8 | 0 | 110.4 | Y694 D714 V718 C719 K720 G736 K737 | Y694-K716 HydrophobicContact CD1-CB 4.19Å; Y694-K716 HydrophobicContact CD1-CG 3.92Å; Y694-K716 HydrophobicContact CD2-CD 4.12Å; Y694-K716 HydrophobicContact CD2-CG 4.23Å; Y694-K716 HydrophobicContact CE1-CB 4.48Å; Y694-K716 HydrophobicContact CE1-CD 4.31Å; Y694-K716 HydrophobicContact CE1-CG 3.71Å; Y694-K716 HydrophobicContact CE2-CD 3.79Å; Y694-K716 HydrophobicContact CE2-CG 4.08Å; Y694-K716 HydrophobicContact CG-CB 4.25Å; Y694-K716 HydrophobicContact CG-CG 4.18Å; Y694-K716 VanDerWaalsContact CZ-CE 3.48Å; Y694-K716 WeakPolarHBondContact OH-CE 3.47Å; D714-K716 VanDerWaalsContact C-N 3.27Å; D714-K716 PolarHBondContact O-N 3.45Å; D714-K716 VanDerWaalsContact OD1-CB 3.31Å; D714-K716 WeakPolarHBondContact OD1-CB 3.39Å; D714-K716 PolarHBondContact OD1-N 3.4Å; K716-V718 VanDerWaalsContact C-N 3.31Å; K716-V718 PolarHBondContact O-N 3.07Å; K716-C719 PolarHBondContact O-N 2.84Å; K716-K720 PolarHBondContact O-N 2.63Å; K716-G736 PolarHBondContact NZ-O 2.92Å; K716-K737 PolarHBondContact NZ-O 3.17Å |
| 717 | Q | 85.4 | Confident | 80.5 | Confident | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 176.4 | -165.8 | 61 | 41.5 | 0 | 0 | 113.1 | D714 K720 N721 | D714-Q717 HydrophobicContact CB-CB 4.44Å; D714-Q717 WeakPolarHBondContact OD2-CB 3.29Å; D714-Q717 PolarHBondContact OD2-N 2.97Å; Q717-K720 PolarHBondContact O-N 2.85Å; Q717-N721 PolarHBondContact NE2-OD1 2.75Å; Q717-N721 WeakPolarHBondContact O-CB 3.41Å; Q717-N721 PolarHBondContact O-N 2.93Å; Q717-N721 PolarHBondContact O-OD1 2.85Å |
| 718 | V | 86.1 | Confident | 80.7 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 173.6 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | F698 M705 D709 D714 K715 K716 L722 | F698-V718 HydrophobicContact CD2-CG1 4.19Å; F698-V718 HydrophobicContact CE2-CB 4.31Å; F698-V718 HydrophobicContact CE2-CG1 3.87Å; M705-V718 HydrophobicContact CE-CG1 3.92Å; M705-V718 HydrophobicContact SD-CG1 3.7Å; D709-V718 HydrophobicContact CB-CG1 4.06Å; D709-V718 WeakPolarHBondContact O-CG2 3.4Å; D714-V718 VanDerWaalsContact O-CG2 3.31Å; D714-V718 WeakPolarHBondContact O-CG2 3.36Å; D714-V718 PolarHBondContact O-N 2.9Å; K715-V718 PolarHBondContact O-N 3.25Å; K716-V718 VanDerWaalsContact C-N 3.31Å; K716-V718 PolarHBondContact O-N 3.07Å; V718-L722 WeakPolarHBondContact O-CB 3.27Å; V718-L722 PolarHBondContact O-N 2.78Å; V718-L722 VanDerWaalsContact O-N 3.1Å |
| 719 | C | 88.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 174.1 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | Y694 F697 K715 K716 L722 L723 I740 | Y694-C719 HydrophobicContact CD1-CB 3.86Å; Y694-C719 HydrophobicContact CE1-CB 4.37Å; F697-C719 HydrophobicContact CD1-CB 4.06Å; F697-C719 HydrophobicContact CE1-CB 4.45Å; K715-C719 PolarHBondContact O-N 3.36Å; K715-C719 PolarHBondContact O-SG 2.88Å; K716-C719 PolarHBondContact O-N 2.84Å; C719-L722 PolarHBondContact O-N 3.38Å; C719-L723 WeakPolarHBondContact O-CD1 3.45Å; C719-L723 PolarHBondContact O-N 2.76Å; C719-I740 HydrophobicContact CB-CD1 3.96Å |
| 720 | K | 87.9 | Confident | 81.4 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 24% | 0.239 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.7 | -57.8 | 175.4 | -69.8 | -163.3 | 168.6 | -163.5 | 0 | 112.3 | K716 Q717 L722 L723 E724 F735 | K716-K720 PolarHBondContact O-N 2.63Å; Q717-K720 PolarHBondContact O-N 2.85Å; K720-L722 PolarHBondContact O-N 2.87Å; K720-L722 VanDerWaalsContact O-N 3.12Å; K720-L723 PolarHBondContact O-N 3.36Å; K720-L723 VanDerWaalsContact O-N 3.12Å; K720-E724 WeakPolarHBondContact O-CG 3.48Å; K720-E724 PolarHBondContact O-N 2.83Å; K720-F735 HydrophobicContact CB-CE1 4.32Å; K720-F735 HydrophobicContact CB-CE2 4.09Å; K720-F735 HydrophobicContact CB-CZ 3.94Å; K720-F735 HydrophobicContact CD-CD2 3.96Å; K720-F735 HydrophobicContact CD-CE2 4.18Å; K720-F735 HydrophobicContact CD-CG 4.2Å; K720-F735 HydrophobicContact CG-CD1 3.91Å; K720-F735 HydrophobicContact CG-CD2 3.9Å; K720-F735 HydrophobicContact CG-CE1 3.86Å; K720-F735 HydrophobicContact CG-CE2 3.81Å; K720-F735 HydrophobicContact CG-CG 3.94Å; K720-F735 HydrophobicContact CG-CZ 3.82Å |
| 721 | N | 86.8 | Confident | 82.1 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.3 | -32.6 | 180 | -64.8 | 3.4 | 0 | 0 | 0 | 112.5 | Q717 T725 | Q717-N721 PolarHBondContact NE2-OD1 2.75Å; Q717-N721 WeakPolarHBondContact O-CB 3.41Å; Q717-N721 PolarHBondContact O-N 2.93Å; Q717-N721 PolarHBondContact O-OD1 2.85Å; N721-T725 WeakPolarHBondContact O-CB 3.43Å; N721-T725 PolarHBondContact O-N 2.89Å; N721-T725 PolarHBondContact O-OG1 3.48Å |
| 722 | L | 86.9 | Confident | 83 | Confident | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.6 | -52.6 | 175.8 | -176.6 | 66.5 | 0 | 0 | 0 | 111.8 | F697 L704 M705 V718 C719 K720 E724 T725 L726 | F697-L722 HydrophobicContact CE1-CD2 4.12Å; L704-L722 HydrophobicContact CB-CD1 4.19Å; L704-L722 HydrophobicContact CB-CD2 4.34Å; M705-L722 HydrophobicContact CE-CD2 3.85Å; M705-L722 HydrophobicContact CG-CD1 4.12Å; M705-L722 HydrophobicContact CG-CD2 3.76Å; M705-L722 HydrophobicContact CG-CG 4.4Å; V718-L722 WeakPolarHBondContact O-CB 3.27Å; V718-L722 PolarHBondContact O-N 2.78Å; V718-L722 VanDerWaalsContact O-N 3.1Å; C719-L722 PolarHBondContact O-N 3.38Å; K720-L722 PolarHBondContact O-N 2.87Å; K720-L722 VanDerWaalsContact O-N 3.12Å; L722-E724 PolarHBondContact O-N 3.09Å; L722-T725 WeakPolarHBondContact O-CB 3.45Å; L722-T725 PolarHBondContact O-N 2.91Å; L722-T725 VanDerWaalsContact O-N 3.1Å; L722-L726 HydrophobicContact CD1-CD1 3.86Å; L722-L726 HydrophobicContact CD1-CG 4.12Å; L722-L726 HydrophobicContact CD2-CD1 4.37Å; L722-L726 HydrophobicContact CG-CD1 3.83Å; L722-L726 HydrophobicContact CG-CG 4.34Å; L722-L726 WeakPolarHBondContact O-CG 3.35Å; L722-L726 PolarHBondContact O-N 3.09Å; L722-L726 VanDerWaalsContact O-N 3.09Å |
| 723 | L | 88.2 | Confident | 84 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.4 | -49.4 | -179.2 | -93.2 | 88.5 | 0 | 0 | 0 | 111.3 | F697 C719 K720 T725 L726 I727 F733 F735 I740 F742 | F697-L723 HydrophobicContact CD1-CD1 4.19Å; F697-L723 HydrophobicContact CE1-CD1 3.35Å; F697-L723 HydrophobicContact CE2-CD1 4.15Å; F697-L723 HydrophobicContact CZ-CD1 3.35Å; F697-L723 HydrophobicContact CZ-CG 4.23Å; C719-L723 WeakPolarHBondContact O-CD1 3.45Å; C719-L723 PolarHBondContact O-N 2.76Å; K720-L723 PolarHBondContact O-N 3.36Å; K720-L723 VanDerWaalsContact O-N 3.12Å; L723-T725 PolarHBondContact O-N 2.84Å; L723-T725 VanDerWaalsContact O-N 3.15Å; L723-L726 PolarHBondContact O-N 3.35Å; L723-I727 PolarHBondContact O-N 3.13Å; L723-F733 HydrophobicContact CB-CD2 4.28Å; L723-F733 HydrophobicContact CB-CE2 4.06Å; L723-F733 HydrophobicContact CB-CZ 4.28Å; L723-F733 HydrophobicContact CD2-CB 3.74Å; L723-F733 HydrophobicContact CD2-CD1 4.2Å; L723-F733 HydrophobicContact CD2-CD2 3.47Å; L723-F733 VanDerWaalsContact CD2-CD2 3.47Å; L723-F733 HydrophobicContact CD2-CE2 4.11Å; L723-F733 HydrophobicContact CD2-CG 3.52Å; L723-F735 HydrophobicContact CB-CE1 4.15Å; L723-F735 HydrophobicContact CB-CZ 3.83Å; L723-F735 HydrophobicContact CD1-CE1 4.22Å; L723-F735 HydrophobicContact CD2-CE1 3.86Å; L723-F735 HydrophobicContact CD2-CZ 4.19Å; L723-F735 HydrophobicContact CG-CE1 4.31Å; L723-F735 HydrophobicContact CG-CZ 4.47Å; L723-I740 HydrophobicContact CD1-CD1 4.14Å; L723-I740 HydrophobicContact CD2-CG2 3.8Å; L723-F742 HydrophobicContact CD1-CZ 4.47Å; L723-F742 HydrophobicContact CD2-CE1 3.56Å; L723-F742 HydrophobicContact CD2-CZ 3.79Å; L723-F742 HydrophobicContact CG-CE1 4.33Å; L723-F742 HydrophobicContact CG-CZ 4.47Å |
| 724 | E | 87.4 | Confident | 84.9 | Confident | 105 Ų | 105 | 57.8 Ų | 57.8 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -24.4 | 178.8 | -66 | 163.5 | -168.4 | 0 | 0 | 112.9 | K720 L722 F733 F735 | K720-E724 WeakPolarHBondContact O-CG 3.48Å; K720-E724 PolarHBondContact O-N 2.83Å; L722-E724 PolarHBondContact O-N 3.09Å; E724-F733 HydrophobicContact CG-CE2 4.49Å; E724-F733 HydrophobicContact CG-CZ 4.4Å; E724-F735 HydrophobicContact CG-CE2 4.3Å; E724-F735 HydrophobicContact CG-CZ 4.47Å; E724-F735 WeakPolarHBondContact OE1-CE2 3.27Å |
| 725 | T | 85.2 | Confident | 85.2 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -81.6 | -30 | 173.2 | -61.7 | 0 | 0 | 0 | 0 | 112.7 | N721 L722 L723 | N721-T725 WeakPolarHBondContact O-CB 3.43Å; N721-T725 PolarHBondContact O-N 2.89Å; N721-T725 PolarHBondContact O-OG1 3.48Å; L722-T725 WeakPolarHBondContact O-CB 3.45Å; L722-T725 PolarHBondContact O-N 2.91Å; L722-T725 VanDerWaalsContact O-N 3.1Å; L723-T725 PolarHBondContact O-N 2.84Å; L723-T725 VanDerWaalsContact O-N 3.15Å |
| 726 | L | 85.6 | Confident | 85.6 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -96.3 | -40.4 | -172.9 | -64.5 | -178.7 | 0 | 0 | 0 | 113.3 | L704 L722 L723 L750 L753 | L704-L726 HydrophobicContact CB-CD1 4.33Å; L704-L726 HydrophobicContact CD1-CD1 3.76Å; L722-L726 HydrophobicContact CD1-CD1 3.86Å; L722-L726 HydrophobicContact CD1-CG 4.12Å; L722-L726 HydrophobicContact CD2-CD1 4.37Å; L722-L726 HydrophobicContact CG-CD1 3.83Å; L722-L726 HydrophobicContact CG-CG 4.34Å; L722-L726 WeakPolarHBondContact O-CG 3.35Å; L722-L726 PolarHBondContact O-N 3.09Å; L722-L726 VanDerWaalsContact O-N 3.09Å; L723-L726 PolarHBondContact O-N 3.35Å; L726-L750 HydrophobicContact CB-CD2 4.34Å; L726-L750 HydrophobicContact CD1-CD2 3.66Å; L726-L753 HydrophobicContact CB-CD1 4.45Å; L726-L753 HydrophobicContact CD2-CD1 4.26Å |
| 727 | I | 84.8 | Confident | 85.7 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | trans | -116.7 | 111.9 | -176.4 | -54.8 | 172 | 0 | 0 | 0 | 107.2 | L723 M732 F733 Q746 Y749 L750 | L723-I727 PolarHBondContact O-N 3.13Å; I727-M732 HydrophobicContact CG2-CB 3.79Å; I727-M732 HydrophobicContact CG2-CG 4.34Å; I727-F733 HydrophobicContact CB-CD1 3.97Å; I727-F733 HydrophobicContact CB-CE1 3.71Å; I727-F733 HydrophobicContact CD1-CD1 4.26Å; I727-F733 HydrophobicContact CG2-CD1 3.79Å; I727-F733 HydrophobicContact CG2-CE1 3.74Å; I727-F733 WeakPolarHBondContact O-CE1 3.35Å; I727-Q746 HydrophobicContact CD1-CB 4.42Å; I727-Y749 HydrophobicContact CG1-CD1 4.45Å; I727-Y749 HydrophobicContact CG1-CE1 4.44Å; I727-L750 HydrophobicContact CD1-CD2 4.35Å; I727-L750 HydrophobicContact CD1-CG 4.49Å | ||
| 728 | K | 78.6 | Confident | 85.7 | Confident | 164 Ų | 164 | 53.2 Ų | 53.2 | 71% | 0.713 | 27% | 0.269 | S | S | * | . | trans | -82.6 | -12.3 | -172.4 | -64.8 | -179.5 | -178.9 | 173 | 0 | 114.7 | M1 | M1-K728 HydrophobicContact CE-CG 4.44Å; M1-K728 HydrophobicContact SD-CD 4.27Å | ||
| 729 | E | 81.5 | Confident | 85.9 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 40% | 0.397 | 28% | 0.28 | S | S | . | . | trans | -105.2 | 112.4 | -176.2 | -80.9 | 154 | -163.8 | 0 | 0 | 109.8 | M1 D731 M732 | M1-E729 PolarHBondContact N-OE1 3.46Å; M1-E729 PolarHBondContact N-OE2 3.22Å; E729-D731 VanDerWaalsContact C-N 3.25Å; E729-D731 PolarHBondContact O-N 3.05Å; E729-M732 HydrophobicContact CB-CG 3.74Å; E729-M732 WeakPolarHBondContact O-CB 3.05Å; E729-M732 PolarHBondContact O-N 3.47Å; E729-M732 VanDerWaalsContact O-N 3.1Å | ||
| 730 | P | 76 | Confident | 85.9 | Confident | 98 Ų | 98 | 55.8 Ų | 55.8 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.5 | -171.2 | 31.4 | -36.7 | 0 | 0 | 0 | 114.6 | M732 F733 Q734 | P730-M732 VanDerWaalsContact C-N 3.34Å; P730-F733 VanDerWaalsContact O-O 3.04Å; P730-Q734 PolarHBondContact O-NE2 3.14Å |
| 731 | D | 82.8 | Confident | 85.9 | Confident | 86 Ų | 86 | 53.2 Ų | 53.2 | 46% | 0.46 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.7 | 167.3 | -176.3 | 60 | 0 | 0 | 0 | 112.3 | Y688 E729 F733 R743 | Y688-D731 WeakPolarHBondContact CE1-O 3.13Å; Y688-D731 PolarHBondContact OH-O 2.82Å; Y688-D731 VanDerWaalsContact OH-O 3.14Å; Y688-D731 PolarHBondContact OH-OD1 2.77Å; E729-D731 VanDerWaalsContact C-N 3.25Å; E729-D731 PolarHBondContact O-N 3.05Å; D731-F733 VanDerWaalsContact C-N 3.26Å; D731-F733 PolarHBondContact O-N 2.86Å; D731-R743 VanDerWaalsContact CG-NH2 3.31Å; D731-R743 WeakPolarHBondContact O-CG 3.47Å; D731-R743 PolarHBondContact O-NE 3.09Å; D731-R743 IonicContact OD1-CZ 2.71Å; D731-R743 IonicContact OD1-NE 2.66Å; D731-R743 IonicContact OD1-NH2 3.32Å; D731-R743 PolarHBondContact OD1-NH2 2.9Å; D731-R743 IonicContact OD2-CZ 2.65Å; D731-R743 IonicContact OD2-NE 3.82Å; D731-R743 IonicContact OD2-NH2 3.48Å; D731-R743 PolarHBondContact OD2-NH2 3.21Å; D731-R743 VanDerWaalsContact OD2-NH2 3.12Å |
| 732 | M | 83.5 | Confident | 85.9 | Confident | 44 Ų | 44 | 50 Ų | 50 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -77.7 | -12.7 | -178 | -58.1 | -51.9 | -68.1 | 0 | 0 | 113.2 | I727 E729 P730 R743 Q746 | I727-M732 HydrophobicContact CG2-CB 3.79Å; I727-M732 HydrophobicContact CG2-CG 4.34Å; E729-M732 HydrophobicContact CB-CG 3.74Å; E729-M732 WeakPolarHBondContact O-CB 3.05Å; E729-M732 PolarHBondContact O-N 3.47Å; E729-M732 VanDerWaalsContact O-N 3.1Å; P730-M732 VanDerWaalsContact C-N 3.34Å; M732-R743 HydrophobicContact CE-CB 3.96Å; M732-R743 HydrophobicContact CE-CG 4.33Å; M732-R743 PolarHBondContact O-N 3.4Å; M732-R743 HydrophobicContact SD-CG 4.3Å; M732-Q746 HydrophobicContact CB-CG 4.12Å; M732-Q746 HydrophobicContact CE-CG 4.08Å |
| 733 | F | 88.6 | Confident | 85.7 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 4% | 0.044 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 152.4 | 178.2 | 59.6 | -86.3 | 0 | 0 | 0 | 111.7 | L723 E724 I727 P730 D731 F735 F741 F742 | L723-F733 HydrophobicContact CB-CD2 4.28Å; L723-F733 HydrophobicContact CB-CE2 4.06Å; L723-F733 HydrophobicContact CB-CZ 4.28Å; L723-F733 HydrophobicContact CD2-CB 3.74Å; L723-F733 HydrophobicContact CD2-CD1 4.2Å; L723-F733 HydrophobicContact CD2-CD2 3.47Å; L723-F733 VanDerWaalsContact CD2-CD2 3.47Å; L723-F733 HydrophobicContact CD2-CE2 4.11Å; L723-F733 HydrophobicContact CD2-CG 3.52Å; E724-F733 HydrophobicContact CG-CE2 4.49Å; E724-F733 HydrophobicContact CG-CZ 4.4Å; I727-F733 HydrophobicContact CB-CD1 3.97Å; I727-F733 HydrophobicContact CB-CE1 3.71Å; I727-F733 HydrophobicContact CD1-CD1 4.26Å; I727-F733 HydrophobicContact CG2-CD1 3.79Å; I727-F733 HydrophobicContact CG2-CE1 3.74Å; I727-F733 WeakPolarHBondContact O-CE1 3.35Å; P730-F733 VanDerWaalsContact O-O 3.04Å; D731-F733 VanDerWaalsContact C-N 3.26Å; D731-F733 PolarHBondContact O-N 2.86Å; F733-F735 HydrophobicContact CD2-CE1 4.12Å; F733-F735 HydrophobicContact CD2-CE2 4.04Å; F733-F735 AromaticContact CD2-CZ 3.73Å; F733-F735 HydrophobicContact CD2-CZ 3.73Å; F733-F735 HydrophobicContact CE2-CD2 4.46Å; F733-F735 HydrophobicContact CE2-CE1 4.31Å; F733-F735 AromaticContact CE2-CE2 3.59Å; F733-F735 HydrophobicContact CE2-CE2 3.59Å; F733-F735 AromaticContact CE2-CZ 3.46Å; F733-F735 HydrophobicContact CE2-CZ 3.46Å; F733-F735 VanDerWaalsContact CE2-CZ 3.46Å; F733-F741 CarbonylContact C-O 3.59Å; F733-F741 WeakPolarHBondContact CA-O 3.41Å; F733-F742 HydrophobicContact CB-CD1 4.16Å; F733-F742 HydrophobicContact CB-CE1 4.38Å |
| 734 | Q | 88.6 | Confident | 85 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.4 | 172.1 | -66.6 | -61.5 | -22.7 | 0 | 0 | 111.6 | I483 Y688 P730 F741 | I483-Q734 HydrophobicContact CD1-CB 4.15Å; I483-Q734 HydrophobicContact CG1-CB 4.41Å; I483-Q734 HydrophobicContact CG2-CB 4.15Å; I483-Q734 HydrophobicContact CG2-CG 4.22Å; Y688-Q734 HydrophobicContact CE1-CB 4.41Å; Y688-Q734 HydrophobicContact CE1-CG 3.75Å; Y688-Q734 HydrophobicContact CE2-CG 4.04Å; Y688-Q734 VanDerWaalsContact CZ-CG 3.46Å; Y688-Q734 WeakPolarHBondContact OH-CG 3.37Å; Y688-Q734 PolarHBondContact OH-NE2 3.35Å; P730-Q734 PolarHBondContact O-NE2 3.14Å; Q734-F741 HydrophobicContact CB-CB 4.32Å; Q734-F741 PolarHBondContact N-O 3.21Å; Q734-F741 PolarHBondContact O-N 2.9Å |
| 735 | F | 90.3 | Very high | 84.3 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 17% | 0.171 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 96 | -179.6 | -64.3 | -56.1 | 0 | 0 | 0 | 111.6 | Y694 K720 L723 E724 F733 I740 | Y694-F735 HydrophobicContact CE1-CD1 4.38Å; K720-F735 HydrophobicContact CB-CE1 4.32Å; K720-F735 HydrophobicContact CB-CE2 4.09Å; K720-F735 HydrophobicContact CB-CZ 3.94Å; K720-F735 HydrophobicContact CD-CD2 3.96Å; K720-F735 HydrophobicContact CD-CE2 4.18Å; K720-F735 HydrophobicContact CD-CG 4.2Å; K720-F735 HydrophobicContact CG-CD1 3.91Å; K720-F735 HydrophobicContact CG-CD2 3.9Å; K720-F735 HydrophobicContact CG-CE1 3.86Å; K720-F735 HydrophobicContact CG-CE2 3.81Å; K720-F735 HydrophobicContact CG-CG 3.94Å; K720-F735 HydrophobicContact CG-CZ 3.82Å; L723-F735 HydrophobicContact CB-CE1 4.15Å; L723-F735 HydrophobicContact CB-CZ 3.83Å; L723-F735 HydrophobicContact CD1-CE1 4.22Å; L723-F735 HydrophobicContact CD2-CE1 3.86Å; L723-F735 HydrophobicContact CD2-CZ 4.19Å; L723-F735 HydrophobicContact CG-CE1 4.31Å; L723-F735 HydrophobicContact CG-CZ 4.47Å; E724-F735 HydrophobicContact CG-CE2 4.3Å; E724-F735 HydrophobicContact CG-CZ 4.47Å; E724-F735 WeakPolarHBondContact OE1-CE2 3.27Å; F733-F735 HydrophobicContact CD2-CE1 4.12Å; F733-F735 HydrophobicContact CD2-CE2 4.04Å; F733-F735 AromaticContact CD2-CZ 3.73Å; F733-F735 HydrophobicContact CD2-CZ 3.73Å; F733-F735 HydrophobicContact CE2-CD2 4.46Å; F733-F735 HydrophobicContact CE2-CE1 4.31Å; F733-F735 AromaticContact CE2-CE2 3.59Å; F733-F735 HydrophobicContact CE2-CE2 3.59Å; F733-F735 AromaticContact CE2-CZ 3.46Å; F733-F735 HydrophobicContact CE2-CZ 3.46Å; F733-F735 VanDerWaalsContact CE2-CZ 3.46Å; F735-I740 HydrophobicContact CD1-CG1 4.35Å; F735-I740 HydrophobicContact CD1-CG2 4.2Å; F735-I740 HydrophobicContact CE1-CG2 4.28Å |
| 736 | G | 89.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | trans | -72.9 | 179.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | E481 Y694 K716 K739 | E481-G736 CarbonylContact O-C 3.48Å; E481-G736 WeakPolarHBondContact O-CA 3.17Å; E481-G736 VanDerWaalsContact OE2-C 3.3Å; E481-G736 WeakPolarHBondContact OE2-CA 3.32Å; Y694-G736 PolarHBondContact OH-O 3.34Å; K716-G736 PolarHBondContact NZ-O 2.92Å; G736-K739 WeakPolarHBondContact CA-O 3.47Å; G736-K739 PolarHBondContact N-O 2.81Å | ||
| 737 | K | 87.7 | Confident | 83.9 | Confident | 113 Ų | 113 | 45.2 Ų | 45.2 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -59.3 | -50.3 | 175.3 | -153.6 | -176.4 | -147.9 | 105.4 | 0 | 112.1 | E481 D482 K716 | E481-K737 PolarHBondContact O-N 3.14Å; E481-K737 PolarHBondContact OE2-N 2.88Å; D482-K737 IonicContact OD1-NZ 2.7Å; D482-K737 PolarHBondContact OD1-NZ 3.36Å; D482-K737 WeakPolarHBondContact OD2-CE 3.41Å; D482-K737 IonicContact OD2-NZ 3.29Å; D482-K737 PolarHBondContact OD2-NZ 2.99Å; K716-K737 PolarHBondContact NZ-O 3.17Å |
| 738 | T | 85.8 | Confident | 83.3 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 49% | 0.485 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -119 | -19.5 | -177.6 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | E481 Y694 | E481-T738 VanDerWaalsContact CD-N 3.31Å; E481-T738 WeakPolarHBondContact OE1-CB 3.42Å; E481-T738 PolarHBondContact OE1-N 3.33Å; E481-T738 PolarHBondContact OE1-OG1 3.1Å; E481-T738 PolarHBondContact OE2-N 3.42Å; Y694-T738 WeakPolarHBondContact CD2-O 3.5Å; Y694-T738 VanDerWaalsContact CE2-C 3.5Å |
| 739 | K | 89.5 | Confident | 83.4 | Confident | 57 Ų | 57 | 39.3 Ų | 39.3 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 165.7 | -176 | -61.2 | 167.7 | -170 | 177.7 | 0 | 112.4 | E477 E481 W692 Y694 G736 F741 | E477-K739 IonicContact OE1-NZ 3.71Å; E477-K739 PolarHBondContact OE1-NZ 2.95Å; E481-K739 PolarHBondContact OE2-N 3.35Å; W692-K739 CarbonylContact O-C 3.58Å; W692-K739 WeakPolarHBondContact O-CA 3.43Å; Y694-K739 WeakPolarHBondContact CE2-O 3.39Å; Y694-K739 PolarHBondContact OH-O 3.06Å; Y694-K739 VanDerWaalsContact OH-O 3.11Å; G736-K739 WeakPolarHBondContact CA-O 3.47Å; G736-K739 PolarHBondContact N-O 2.81Å; K739-F741 HydrophobicContact CB-CD2 4.14Å; K739-F741 HydrophobicContact CB-CE2 3.75Å; K739-F741 HydrophobicContact CD-CE2 4.32Å; K739-F741 HydrophobicContact CD-CZ 4.37Å |
| 740 | I | 89.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.2 | 164 | -50.8 | 168.2 | 0 | 0 | 0 | 106.8 | R691 W692 Y694 F697 C719 L723 F735 F742 | R691-I740 WeakPolarHBondContact CA-O 3.4Å; W692-I740 PolarHBondContact N-O 3Å; W692-I740 PolarHBondContact O-N 2.92Å; Y694-I740 HydrophobicContact CD1-CD1 3.76Å; Y694-I740 HydrophobicContact CD1-CG1 3.7Å; Y694-I740 HydrophobicContact CE1-CD1 3.78Å; Y694-I740 HydrophobicContact CE1-CG1 3.33Å; Y694-I740 HydrophobicContact CG-CG1 4.46Å; F697-I740 HydrophobicContact CB-CD1 3.96Å; F697-I740 HydrophobicContact CD1-CD1 3.82Å; F697-I740 HydrophobicContact CD2-CD1 4.22Å; F697-I740 HydrophobicContact CE1-CD1 4.43Å; F697-I740 HydrophobicContact CG-CD1 3.7Å; C719-I740 HydrophobicContact CB-CD1 3.96Å; L723-I740 HydrophobicContact CD1-CD1 4.14Å; L723-I740 HydrophobicContact CD2-CG2 3.8Å; F735-I740 HydrophobicContact CD1-CG1 4.35Å; F735-I740 HydrophobicContact CD1-CG2 4.2Å; F735-I740 HydrophobicContact CE1-CG2 4.28Å; I740-F742 HydrophobicContact CB-CE2 3.84Å; I740-F742 HydrophobicContact CB-CZ 4.27Å; I740-F742 HydrophobicContact CG2-CD2 4.16Å; I740-F742 HydrophobicContact CG2-CE1 4.27Å; I740-F742 HydrophobicContact CG2-CE2 3.47Å; I740-F742 VanDerWaalsContact CG2-CE2 3.47Å; I740-F742 HydrophobicContact CG2-CZ 3.53Å |
| 741 | F | 87.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.9 | -178.8 | -76.9 | -106.8 | 0 | 0 | 0 | 108.9 | E477 Y478 E481 I483 Y688 R691 F733 Q734 K739 | E477-F741 HydrophobicContact CG-CZ 4.25Å; Y478-F741 HydrophobicContact CD1-CD1 4.33Å; Y478-F741 AromaticContact CD1-CE1 3.96Å; Y478-F741 HydrophobicContact CD1-CE1 3.96Å; Y478-F741 AromaticContact CE1-CD1 3.9Å; Y478-F741 HydrophobicContact CE1-CD1 3.9Å; Y478-F741 AromaticContact CE1-CE1 3.83Å; Y478-F741 HydrophobicContact CE1-CE1 3.83Å; E481-F741 HydrophobicContact CB-CE2 3.99Å; E481-F741 HydrophobicContact CB-CZ 4.31Å; E481-F741 HydrophobicContact CG-CE2 3.82Å; E481-F741 HydrophobicContact CG-CZ 4.02Å; I483-F741 HydrophobicContact CD1-CB 4.27Å; I483-F741 HydrophobicContact CD1-CD1 4.32Å; I483-F741 HydrophobicContact CD1-CD2 3.25Å; I483-F741 HydrophobicContact CD1-CE1 4.49Å; I483-F741 HydrophobicContact CD1-CE2 3.47Å; I483-F741 VanDerWaalsContact CD1-CE2 3.47Å; I483-F741 HydrophobicContact CD1-CG 3.71Å; I483-F741 HydrophobicContact CD1-CZ 4.11Å; Y688-F741 HydrophobicContact CD1-CB 4.15Å; Y688-F741 HydrophobicContact CG-CB 4.07Å; R691-F741 HydrophobicContact CG-CD1 3.75Å; R691-F741 HydrophobicContact CG-CE1 3.77Å; R691-F741 HydrophobicContact CG-CG 4.38Å; R691-F741 HydrophobicContact CG-CZ 4.41Å; F733-F741 CarbonylContact C-O 3.59Å; F733-F741 WeakPolarHBondContact CA-O 3.41Å; Q734-F741 HydrophobicContact CB-CB 4.32Å; Q734-F741 PolarHBondContact N-O 3.21Å; Q734-F741 PolarHBondContact O-N 2.9Å; K739-F741 HydrophobicContact CB-CD2 4.14Å; K739-F741 HydrophobicContact CB-CE2 3.75Å; K739-F741 HydrophobicContact CD-CE2 4.32Å; K739-F741 HydrophobicContact CD-CZ 4.37Å |
| 742 | F | 85.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.4 | -176.1 | -68.9 | -88 | 0 | 0 | 0 | 111.6 | Y688 P689 S690 W692 F697 L723 F733 I740 Q746 V747 L750 | Y688-F742 CarbonylContact C-O 3.55Å; Y688-F742 WeakPolarHBondContact CA-O 3.36Å; P689-F742 VanDerWaalsContact CD-O 3.27Å; P689-F742 WeakPolarHBondContact CD-O 3.45Å; S690-F742 PolarHBondContact O-N 3.32Å; W692-F742 HydrophobicContact CB-CE2 4.3Å; W692-F742 HydrophobicContact CG-CE2 4.44Å; F697-F742 HydrophobicContact CD2-CE2 4.14Å; F697-F742 AromaticContact CD2-CZ 3.84Å; F697-F742 HydrophobicContact CD2-CZ 3.84Å; F697-F742 HydrophobicContact CE2-CE1 4.3Å; F697-F742 HydrophobicContact CE2-CE2 4.18Å; F697-F742 AromaticContact CE2-CZ 3.45Å; F697-F742 HydrophobicContact CE2-CZ 3.45Å; F697-F742 VanDerWaalsContact CE2-CZ 3.45Å; F697-F742 HydrophobicContact CZ-CZ 4.24Å; L723-F742 HydrophobicContact CD1-CZ 4.47Å; L723-F742 HydrophobicContact CD2-CE1 3.56Å; L723-F742 HydrophobicContact CD2-CZ 3.79Å; L723-F742 HydrophobicContact CG-CE1 4.33Å; L723-F742 HydrophobicContact CG-CZ 4.47Å; F733-F742 HydrophobicContact CB-CD1 4.16Å; F733-F742 HydrophobicContact CB-CE1 4.38Å; I740-F742 HydrophobicContact CB-CE2 3.84Å; I740-F742 HydrophobicContact CB-CZ 4.27Å; I740-F742 HydrophobicContact CG2-CD2 4.16Å; I740-F742 HydrophobicContact CG2-CE1 4.27Å; I740-F742 HydrophobicContact CG2-CE2 3.47Å; I740-F742 VanDerWaalsContact CG2-CE2 3.47Å; I740-F742 HydrophobicContact CG2-CZ 3.53Å; F742-Q746 HydrophobicContact CB-CB 4.27Å; F742-Q746 HydrophobicContact CD1-CB 3.88Å; F742-V747 HydrophobicContact CB-CG2 4.27Å; F742-V747 HydrophobicContact CD2-CG2 4.14Å; F742-V747 HydrophobicContact CG-CG2 4.11Å; F742-L750 HydrophobicContact CE1-CD1 3.84Å; F742-L750 HydrophobicContact CZ-CD1 4.2Å |
| 743 | R | 83.6 | Confident | 83.4 | Confident | 39 Ų | 39 | 30.5 Ų | 30.5 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | trans | -65.6 | 161 | 164.5 | -61.1 | -59.7 | -165.3 | 163.8 | 9.4 | 110.4 | A686 G687 Y688 D731 M732 Q746 | A686-R743 PolarHBondContact O-NH1 2.89Å; G687-R743 WeakPolarHBondContact O-CD 3.42Å; G687-R743 PolarHBondContact O-NH1 2.8Å; Y688-R743 HydrophobicContact CD1-CG 4.12Å; Y688-R743 HydrophobicContact CE1-CG 3.87Å; Y688-R743 VanDerWaalsContact CZ-NE 3.31Å; Y688-R743 PolarHBondContact OH-NE 2.99Å; D731-R743 VanDerWaalsContact CG-NH2 3.31Å; D731-R743 WeakPolarHBondContact O-CG 3.47Å; D731-R743 PolarHBondContact O-NE 3.09Å; D731-R743 IonicContact OD1-CZ 2.71Å; D731-R743 IonicContact OD1-NE 2.66Å; D731-R743 IonicContact OD1-NH2 3.32Å; D731-R743 PolarHBondContact OD1-NH2 2.9Å; D731-R743 IonicContact OD2-CZ 2.65Å; D731-R743 IonicContact OD2-NE 3.82Å; D731-R743 IonicContact OD2-NH2 3.48Å; D731-R743 PolarHBondContact OD2-NH2 3.21Å; D731-R743 VanDerWaalsContact OD2-NH2 3.12Å; M732-R743 HydrophobicContact CE-CB 3.96Å; M732-R743 HydrophobicContact CE-CG 4.33Å; M732-R743 PolarHBondContact O-N 3.4Å; M732-R743 HydrophobicContact SD-CG 4.3Å; R743-Q746 HydrophobicContact CB-CG 4.22Å; R743-Q746 WeakPolarHBondContact O-CG 3.45Å; R743-Q746 PolarHBondContact O-N 3.15Å | ||
| 744 | A | 72.7 | Confident | 83.2 | Confident | 37 Ų | 37 | 32.5 Ų | 32.5 | 31% | 0.306 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 144.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P689 Q746 | P689-A744 HydrophobicContact CG-CB 4.47Å; A744-Q746 PolarHBondContact O-N 3.18Å; A744-Q746 VanDerWaalsContact O-N 3.17Å |
| 745 | G | 73.4 | Confident | 82.6 | Confident | 7 Ų | 7 | 34 Ų | 34 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -15.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S78 V747 A748 Y749 | S78-G745 WeakPolarHBondContact O-CA 3.3Å; S78-G745 PolarHBondContact O-N 3.07Å; G745-V747 PolarHBondContact O-N 2.94Å; G745-A748 PolarHBondContact O-N 3.41Å; G745-Y749 PolarHBondContact O-N 3.43Å |
| 746 | Q | 82.8 | Confident | 82.3 | Confident | 30 Ų | 30 | 35.2 Ų | 35.2 | 14% | 0.14 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.3 | -36.7 | -173.7 | -60.6 | -50.5 | -72 | 0 | 0 | 113.4 | I727 M732 F742 R743 A744 A748 Y749 L750 | I727-Q746 HydrophobicContact CD1-CB 4.42Å; M732-Q746 HydrophobicContact CB-CG 4.12Å; M732-Q746 HydrophobicContact CE-CG 4.08Å; F742-Q746 HydrophobicContact CB-CB 4.27Å; F742-Q746 HydrophobicContact CD1-CB 3.88Å; R743-Q746 HydrophobicContact CB-CG 4.22Å; R743-Q746 WeakPolarHBondContact O-CG 3.45Å; R743-Q746 PolarHBondContact O-N 3.15Å; A744-Q746 PolarHBondContact O-N 3.18Å; A744-Q746 VanDerWaalsContact O-N 3.17Å; Q746-A748 VanDerWaalsContact C-N 3.34Å; Q746-A748 PolarHBondContact O-N 2.95Å; Q746-Y749 WeakPolarHBondContact O-CB 3.04Å; Q746-Y749 PolarHBondContact O-N 3.17Å; Q746-L750 WeakPolarHBondContact O-CG 3.34Å; Q746-L750 PolarHBondContact O-N 2.88Å |
| 747 | V | 79.7 | Confident | 82.1 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 175 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | S78 W692 F742 G745 L750 E751 | S78-V747 WeakPolarHBondContact OG-CB 3.42Å; W692-V747 HydrophobicContact CZ2-CG1 4.17Å; F742-V747 HydrophobicContact CB-CG2 4.27Å; F742-V747 HydrophobicContact CD2-CG2 4.14Å; F742-V747 HydrophobicContact CG-CG2 4.11Å; G745-V747 PolarHBondContact O-N 2.94Å; V747-L750 PolarHBondContact O-N 2.91Å; V747-E751 PolarHBondContact O-N 3.26Å |
| 748 | A | 71.2 | Confident | 81.9 | Confident | 6 Ų | 6 | 39 Ų | 39 | 5% | 0.05 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.1 | -37.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S78 Y79 G745 Q746 L750 E751 K752 | S78-A748 PolarHBondContact OG-N 3.36Å; Y79-A748 HydrophobicContact CE1-CB 4.06Å; Y79-A748 HydrophobicContact CE2-CB 3.9Å; Y79-A748 WeakPolarHBondContact OH-CB 3.39Å; G745-A748 PolarHBondContact O-N 3.41Å; Q746-A748 VanDerWaalsContact C-N 3.34Å; Q746-A748 PolarHBondContact O-N 2.95Å; A748-L750 VanDerWaalsContact C-N 3.34Å; A748-L750 PolarHBondContact O-N 2.94Å; A748-E751 PolarHBondContact O-N 2.71Å; A748-K752 PolarHBondContact O-N 3.39Å |
| 749 | Y | 81.1 | Confident | 81.7 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 15% | 0.153 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 172.3 | 177.6 | -106 | 0 | 0 | 0 | 112 | L6 I727 G745 Q746 E751 K752 L753 | L6-Y749 HydrophobicContact CD2-CD2 4.22Å; I727-Y749 HydrophobicContact CG1-CD1 4.45Å; I727-Y749 HydrophobicContact CG1-CE1 4.44Å; G745-Y749 PolarHBondContact O-N 3.43Å; Q746-Y749 WeakPolarHBondContact O-CB 3.04Å; Q746-Y749 PolarHBondContact O-N 3.17Å; Y749-E751 VanDerWaalsContact C-N 3.33Å; Y749-E751 PolarHBondContact O-N 2.84Å; Y749-K752 WeakPolarHBondContact O-CB 3.47Å; Y749-K752 PolarHBondContact O-N 3.29Å; Y749-L753 HydrophobicContact CD1-CD1 4.04Å; Y749-L753 HydrophobicContact CE1-CD1 3.5Å; Y749-L753 VanDerWaalsContact CE1-CD1 3.5Å; Y749-L753 HydrophobicContact CE1-CG 4.18Å; Y749-L753 WeakPolarHBondContact O-CG 3.36Å; Y749-L753 PolarHBondContact O-N 3.24Å |
| 750 | L | 83.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.5 | -34.4 | 174.9 | -67.4 | 174.8 | 0 | 0 | 0 | 112.5 | F697 Y701 L726 I727 F742 Q746 V747 A748 R754 | F697-L750 HydrophobicContact CE2-CD1 3.62Å; F697-L750 HydrophobicContact CZ-CD1 3.9Å; Y701-L750 HydrophobicContact CD1-CB 4.1Å; Y701-L750 HydrophobicContact CE1-CB 3.53Å; L726-L750 HydrophobicContact CB-CD2 4.34Å; L726-L750 HydrophobicContact CD1-CD2 3.66Å; I727-L750 HydrophobicContact CD1-CD2 4.35Å; I727-L750 HydrophobicContact CD1-CG 4.49Å; F742-L750 HydrophobicContact CE1-CD1 3.84Å; F742-L750 HydrophobicContact CZ-CD1 4.2Å; Q746-L750 WeakPolarHBondContact O-CG 3.34Å; Q746-L750 PolarHBondContact O-N 2.88Å; V747-L750 PolarHBondContact O-N 2.91Å; A748-L750 VanDerWaalsContact C-N 3.34Å; A748-L750 PolarHBondContact O-N 2.94Å; L750-R754 VanDerWaalsContact O-CB 3.24Å; L750-R754 WeakPolarHBondContact O-CB 3.32Å; L750-R754 PolarHBondContact O-N 2.96Å |
| 751 | E | 78.4 | Confident | 81.7 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 13% | 0.131 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.8 | -34.4 | 172 | -80.1 | -65.5 | 174.3 | 0 | 0 | 113.6 | R700 Y701 V747 A748 Y749 R754 T755 | R700-E751 IonicContact CZ-OE1 3.62Å; R700-E751 IonicContact NE-OE1 3.05Å; R700-E751 PolarHBondContact NE-OE1 2.92Å; R700-E751 IonicContact NH2-OE1 3.75Å; R700-E751 PolarHBondContact NH2-OE1 3.25Å; Y701-E751 HydrophobicContact CE1-CG 4.33Å; V747-E751 PolarHBondContact O-N 3.26Å; A748-E751 PolarHBondContact O-N 2.71Å; Y749-E751 VanDerWaalsContact C-N 3.33Å; Y749-E751 PolarHBondContact O-N 2.84Å; E751-R754 PolarHBondContact O-N 2.88Å; E751-R754 IonicContact OE1-CZ 3.18Å; E751-R754 IonicContact OE1-NE 3.81Å; E751-R754 IonicContact OE1-NH1 2.8Å; E751-R754 PolarHBondContact OE1-NH1 2.68Å; E751-R754 VanDerWaalsContact OE2-CD 3.3Å; E751-R754 WeakPolarHBondContact OE2-CD 3.45Å; E751-R754 IonicContact OE2-CZ 2.7Å; E751-R754 IonicContact OE2-NE 2.7Å; E751-R754 IonicContact OE2-NH1 2.72Å; E751-R754 PolarHBondContact OE2-NH1 3.42Å; E751-T755 WeakPolarHBondContact O-CB 3.35Å; E751-T755 PolarHBondContact O-N 2.79Å; E751-T755 PolarHBondContact O-OG1 3.21Å |
| 752 | K | 77.8 | Confident | 81.7 | Confident | 55 Ų | 55 | 47 Ų | 47 | 24% | 0.239 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -52.2 | 168.6 | -175.9 | -175.2 | 178.4 | -168.2 | 0 | 110.5 | E5 L6 A748 Y749 R754 T755 D756 | E5-K752 PolarHBondContact O-NZ 3.06Å; L6-K752 HydrophobicContact CD2-CD 4.1Å; A748-K752 PolarHBondContact O-N 3.39Å; Y749-K752 WeakPolarHBondContact O-CB 3.47Å; Y749-K752 PolarHBondContact O-N 3.29Å; K752-R754 VanDerWaalsContact C-N 3.3Å; K752-R754 PolarHBondContact O-N 2.83Å; K752-T755 WeakPolarHBondContact O-CB 3.36Å; K752-T755 PolarHBondContact O-N 2.99Å; K752-T755 VanDerWaalsContact O-N 3.11Å; K752-D756 PolarHBondContact O-N 3.45Å |
| 753 | L | 84.4 | Confident | 82 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -38.9 | 177.4 | -69.6 | -179.6 | 0 | 0 | 0 | 112.6 | L704 L726 Y749 D756 K757 | L704-L753 HydrophobicContact CD1-CB 4.43Å; L704-L753 HydrophobicContact CD2-CB 4.29Å; L726-L753 HydrophobicContact CB-CD1 4.45Å; L726-L753 HydrophobicContact CD2-CD1 4.26Å; Y749-L753 HydrophobicContact CD1-CD1 4.04Å; Y749-L753 HydrophobicContact CE1-CD1 3.5Å; Y749-L753 VanDerWaalsContact CE1-CD1 3.5Å; Y749-L753 HydrophobicContact CE1-CG 4.18Å; Y749-L753 WeakPolarHBondContact O-CG 3.36Å; Y749-L753 PolarHBondContact O-N 3.24Å; L753-D756 PolarHBondContact O-N 2.8Å; L753-K757 WeakPolarHBondContact O-CB 3.32Å; L753-K757 PolarHBondContact O-N 3.26Å |
| 754 | R | 84.1 | Confident | 82.5 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.9 | 176.7 | 165.2 | 171.5 | -76.3 | -1.4 | 111.3 | R700 V703 L704 L750 E751 K752 K757 F758 | R700-R754 PolarHBondContact O-NE 2.67Å; R700-R754 VanDerWaalsContact O-NE 3.16Å; V703-R754 HydrophobicContact CG1-CG 3.85Å; L704-R754 HydrophobicContact CD2-CB 4.48Å; L750-R754 VanDerWaalsContact O-CB 3.24Å; L750-R754 WeakPolarHBondContact O-CB 3.32Å; L750-R754 PolarHBondContact O-N 2.96Å; E751-R754 PolarHBondContact O-N 2.88Å; E751-R754 IonicContact OE1-CZ 3.18Å; E751-R754 IonicContact OE1-NE 3.81Å; E751-R754 IonicContact OE1-NH1 2.8Å; E751-R754 PolarHBondContact OE1-NH1 2.68Å; E751-R754 VanDerWaalsContact OE2-CD 3.3Å; E751-R754 WeakPolarHBondContact OE2-CD 3.45Å; E751-R754 IonicContact OE2-CZ 2.7Å; E751-R754 IonicContact OE2-NE 2.7Å; E751-R754 IonicContact OE2-NH1 2.72Å; E751-R754 PolarHBondContact OE2-NH1 3.42Å; K752-R754 VanDerWaalsContact C-N 3.3Å; K752-R754 PolarHBondContact O-N 2.83Å; R754-K757 WeakPolarHBondContact O-CB 3.47Å; R754-K757 PolarHBondContact O-N 3.03Å; R754-F758 HydrophobicContact CG-CD2 4.25Å; R754-F758 HydrophobicContact CG-CE2 3.8Å; R754-F758 WeakPolarHBondContact O-CD2 3.37Å; R754-F758 PolarHBondContact O-N 2.91Å; R754-F758 VanDerWaalsContact O-N 3.15Å |
| 755 | T | 75.4 | Confident | 83.5 | Confident | 79 Ų | 79 | 59 Ų | 59 | 49% | 0.485 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 175.9 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | E751 K752 K757 F758 R759 | E751-T755 WeakPolarHBondContact O-CB 3.35Å; E751-T755 PolarHBondContact O-N 2.79Å; E751-T755 PolarHBondContact O-OG1 3.21Å; K752-T755 WeakPolarHBondContact O-CB 3.36Å; K752-T755 PolarHBondContact O-N 2.99Å; K752-T755 VanDerWaalsContact O-N 3.11Å; T755-K757 VanDerWaalsContact C-N 3.32Å; T755-K757 PolarHBondContact O-N 3.39Å; T755-F758 PolarHBondContact O-N 3.1Å; T755-F758 VanDerWaalsContact O-N 3.17Å; T755-R759 PolarHBondContact O-N 3.5Å |
| 756 | D | 83.2 | Confident | 84.5 | Confident | 64 Ų | 64 | 61.9 Ų | 61.9 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.3 | -33.1 | 177.3 | -77.6 | -36.1 | 0 | 0 | 0 | 112.8 | K752 L753 R759 S760 | K752-D756 PolarHBondContact O-N 3.45Å; L753-D756 PolarHBondContact O-N 2.8Å; D756-R759 PolarHBondContact O-N 2.84Å; D756-S760 WeakPolarHBondContact O-CB 3.06Å; D756-S760 PolarHBondContact O-N 3.23Å |
| 757 | K | 85.9 | Confident | 85 | Confident | 89 Ų | 89 | 67 Ų | 67 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 171.4 | -164.9 | 85.2 | 169 | -136.2 | 0 | 111.2 | V703 L704 L753 R754 T755 A761 | V703-K757 HydrophobicContact CG2-CG 4.25Å; V703-K757 WeakPolarHBondContact O-CE 3.11Å; L704-K757 HydrophobicContact CD2-CB 4Å; L704-K757 HydrophobicContact CD2-CD 4.26Å; L704-K757 HydrophobicContact CD2-CG 4.22Å; L704-K757 PolarHBondContact O-NZ 3.06Å; L753-K757 WeakPolarHBondContact O-CB 3.32Å; L753-K757 PolarHBondContact O-N 3.26Å; R754-K757 WeakPolarHBondContact O-CB 3.47Å; R754-K757 PolarHBondContact O-N 3.03Å; T755-K757 VanDerWaalsContact C-N 3.32Å; T755-K757 PolarHBondContact O-N 3.39Å; K757-A761 WeakPolarHBondContact O-CB 3.48Å; K757-A761 PolarHBondContact O-N 3.06Å |
| 758 | F | 84.4 | Confident | 85.8 | Confident | 104 Ų | 104 | 70.6 Ų | 70.6 | 46% | 0.456 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 174.9 | -73.6 | -60.3 | 0 | 0 | 0 | 112 | V703 R754 T755 S760 A761 C762 | V703-F758 HydrophobicContact CB-CZ 4.29Å; V703-F758 HydrophobicContact CG1-CE2 4.2Å; V703-F758 HydrophobicContact CG1-CZ 4.07Å; V703-F758 HydrophobicContact CG2-CD1 4.4Å; V703-F758 HydrophobicContact CG2-CE1 3.85Å; V703-F758 HydrophobicContact CG2-CZ 3.98Å; R754-F758 HydrophobicContact CG-CD2 4.25Å; R754-F758 HydrophobicContact CG-CE2 3.8Å; R754-F758 WeakPolarHBondContact O-CD2 3.37Å; R754-F758 PolarHBondContact O-N 2.91Å; R754-F758 VanDerWaalsContact O-N 3.15Å; T755-F758 PolarHBondContact O-N 3.1Å; T755-F758 VanDerWaalsContact O-N 3.17Å; F758-S760 PolarHBondContact O-N 3.13Å; F758-A761 PolarHBondContact O-N 3.45Å; F758-C762 WeakPolarHBondContact O-CB 3.32Å; F758-C762 PolarHBondContact O-N 3.41Å |
| 759 | R | 81.6 | Confident | 86.9 | Confident | 152 Ų | 152 | 73.5 Ų | 73.5 | 57% | 0.574 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -56.6 | -48.6 | 176.2 | -152.9 | 177.4 | -157.7 | 163.6 | 6.1 | 111.3 | T755 D756 A761 C762 I763 | T755-R759 PolarHBondContact O-N 3.5Å; D756-R759 PolarHBondContact O-N 2.84Å; R759-A761 PolarHBondContact O-N 3.43Å; R759-C762 PolarHBondContact O-N 3.37Å; R759-I763 WeakPolarHBondContact O-CG1 3.37Å; R759-I763 PolarHBondContact O-N 2.9Å |
| 760 | S | 88.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 77.1 Ų | 77.1 | 36% | 0.357 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 176.1 | -169.7 | 0 | 0 | 0 | 0 | 112.9 | D756 F758 K764 | D756-S760 WeakPolarHBondContact O-CB 3.06Å; D756-S760 PolarHBondContact O-N 3.23Å; F758-S760 PolarHBondContact O-N 3.13Å; S760-K764 WeakPolarHBondContact O-CD 3.45Å; S760-K764 VanDerWaalsContact O-CG 3.28Å; S760-K764 WeakPolarHBondContact O-CG 3.44Å; S760-K764 PolarHBondContact O-N 3.4Å; S760-K764 VanDerWaalsContact O-N 3.16Å; S760-K764 PolarHBondContact OG-NZ 3.08Å |
| 761 | A | 89.8 | Confident | 88.2 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | K757 F758 R759 I763 K764 I765 | K757-A761 WeakPolarHBondContact O-CB 3.48Å; K757-A761 PolarHBondContact O-N 3.06Å; F758-A761 PolarHBondContact O-N 3.45Å; R759-A761 PolarHBondContact O-N 3.43Å; A761-I763 PolarHBondContact O-N 3.34Å; A761-K764 WeakPolarHBondContact O-CB 3.34Å; A761-K764 PolarHBondContact O-N 3.01Å; A761-I765 WeakPolarHBondContact O-CG1 3.36Å; A761-I765 PolarHBondContact O-N 3.16Å |
| 762 | C | 88.8 | Confident | 89 | Confident | 58 Ų | 58 | 84.4 Ų | 84.4 | 39% | 0.392 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59 | -48.6 | 176.9 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | F758 R759 K764 I765 Q766 | F758-C762 WeakPolarHBondContact O-CB 3.32Å; F758-C762 PolarHBondContact O-N 3.41Å; R759-C762 PolarHBondContact O-N 3.37Å; C762-K764 VanDerWaalsContact C-N 3.28Å; C762-K764 PolarHBondContact O-N 3.43Å; C762-I765 PolarHBondContact O-N 2.91Å; C762-I765 VanDerWaalsContact O-N 3.08Å; C762-Q766 WeakPolarHBondContact O-CB 3.38Å; C762-Q766 WeakPolarHBondContact O-CG 3.46Å; C762-Q766 PolarHBondContact O-N 2.88Å; C762-Q766 PolarHBondContact SG-NE2 3.23Å; C762-Q766 VanDerWaalsContact SG-NE2 3.41Å |
| 763 | I | 92 | Very high | 89.9 | Confident | 94 Ų | 94 | 86.3 Ų | 86.3 | 48% | 0.482 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.6 | -38.8 | 176.7 | -67.7 | 163.4 | 0 | 0 | 0 | 111.8 | R759 A761 K767 | R759-I763 WeakPolarHBondContact O-CG1 3.37Å; R759-I763 PolarHBondContact O-N 2.9Å; A761-I763 PolarHBondContact O-N 3.34Å; I763-K767 WeakPolarHBondContact O-CB 3.48Å; I763-K767 WeakPolarHBondContact O-CG 3.29Å; I763-K767 PolarHBondContact O-N 3.32Å |
| 764 | K | 93.6 | Very high | 90.4 | Very high | 120 Ų | 120 | 88.9 Ų | 88.9 | 52% | 0.522 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 176.2 | -72.6 | 165 | -172.4 | 167.8 | 0 | 112.3 | S760 A761 C762 T768 | S760-K764 WeakPolarHBondContact O-CD 3.45Å; S760-K764 VanDerWaalsContact O-CG 3.28Å; S760-K764 WeakPolarHBondContact O-CG 3.44Å; S760-K764 PolarHBondContact O-N 3.4Å; S760-K764 VanDerWaalsContact O-N 3.16Å; S760-K764 PolarHBondContact OG-NZ 3.08Å; A761-K764 WeakPolarHBondContact O-CB 3.34Å; A761-K764 PolarHBondContact O-N 3.01Å; C762-K764 VanDerWaalsContact C-N 3.28Å; C762-K764 PolarHBondContact O-N 3.43Å; K764-T768 WeakPolarHBondContact O-CB 3.38Å; K764-T768 PolarHBondContact O-N 3.16Å; K764-T768 PolarHBondContact O-OG1 3.34Å |
| 765 | I | 94.6 | Very high | 90.9 | Very high | 114 Ų | 114 | 93.9 Ų | 93.9 | 59% | 0.585 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.8 | -54.2 | 174.4 | -64.7 | 165.8 | 0 | 0 | 0 | 109.8 | A761 C762 K767 T768 V769 | A761-I765 WeakPolarHBondContact O-CG1 3.36Å; A761-I765 PolarHBondContact O-N 3.16Å; C762-I765 PolarHBondContact O-N 2.91Å; C762-I765 VanDerWaalsContact O-N 3.08Å; I765-K767 PolarHBondContact O-N 3.34Å; I765-T768 WeakPolarHBondContact O-CB 3.34Å; I765-T768 PolarHBondContact O-N 2.88Å; I765-V769 HydrophobicContact CG2-CG2 4.18Å; I765-V769 WeakPolarHBondContact O-CG2 3.43Å; I765-V769 PolarHBondContact O-N 3.31Å |
| 766 | Q | 93.3 | Very high | 91.9 | Very high | 67 Ų | 67 | 93.3 Ų | 93.3 | 31% | 0.313 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -53.8 | -48.8 | -178.6 | -72.9 | 177 | -10.1 | 0 | 0 | 112.6 | C762 T768 V769 R770 | C762-Q766 WeakPolarHBondContact O-CB 3.38Å; C762-Q766 WeakPolarHBondContact O-CG 3.46Å; C762-Q766 PolarHBondContact O-N 2.88Å; C762-Q766 PolarHBondContact SG-NE2 3.23Å; C762-Q766 VanDerWaalsContact SG-NE2 3.41Å; Q766-T768 VanDerWaalsContact C-N 3.28Å; Q766-T768 PolarHBondContact O-N 2.85Å; Q766-V769 PolarHBondContact O-N 2.95Å; Q766-R770 WeakPolarHBondContact O-CB 3.43Å; Q766-R770 WeakPolarHBondContact O-CG 3.48Å; Q766-R770 PolarHBondContact O-N 3.38Å |
| 767 | K | 94.5 | Very high | 92.5 | Very high | 138 Ų | 138 | 96 Ų | 96 | 60% | 0.6 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.8 | -33.5 | 179.2 | 78.7 | -177.7 | -173.5 | 173.7 | 0 | 112.6 | I763 I765 G771 | I763-K767 WeakPolarHBondContact O-CB 3.48Å; I763-K767 WeakPolarHBondContact O-CG 3.29Å; I763-K767 PolarHBondContact O-N 3.32Å; I765-K767 PolarHBondContact O-N 3.34Å; K767-G771 PolarHBondContact O-N 2.93Å |
| 768 | T | 95.9 | Very high | 92.9 | Very high | 84 Ų | 84 | 98.7 Ų | 98.7 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.5 | -42.8 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | K764 I765 Q766 G771 W772 | K764-T768 WeakPolarHBondContact O-CB 3.38Å; K764-T768 PolarHBondContact O-N 3.16Å; K764-T768 PolarHBondContact O-OG1 3.34Å; I765-T768 WeakPolarHBondContact O-CB 3.34Å; I765-T768 PolarHBondContact O-N 2.88Å; Q766-T768 VanDerWaalsContact C-N 3.28Å; Q766-T768 PolarHBondContact O-N 2.85Å; T768-G771 PolarHBondContact O-N 2.87Å; T768-W772 WeakPolarHBondContact O-CB 3.48Å; T768-W772 PolarHBondContact O-N 3.47Å |
| 769 | V | 94.8 | Very high | 93.4 | Very high | 66 Ų | 66 | 101.8 Ų | 101.8 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -49.5 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | I765 Q766 G771 W772 L773 | I765-V769 HydrophobicContact CG2-CG2 4.18Å; I765-V769 WeakPolarHBondContact O-CG2 3.43Å; I765-V769 PolarHBondContact O-N 3.31Å; Q766-V769 PolarHBondContact O-N 2.95Å; V769-G771 VanDerWaalsContact C-N 3.31Å; V769-G771 PolarHBondContact O-N 3.26Å; V769-W772 WeakPolarHBondContact O-CB 3.36Å; V769-W772 PolarHBondContact O-N 2.96Å; V769-L773 HydrophobicContact CG1-CD1 4.07Å; V769-L773 HydrophobicContact CG1-CG 4.36Å; V769-L773 WeakPolarHBondContact O-CG 3.46Å; V769-L773 PolarHBondContact O-N 3.17Å |
| 770 | R | 94.8 | Very high | 94.1 | Very high | 115 Ų | 115 | 103.5 Ų | 103.5 | 43% | 0.434 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -54.7 | -46.6 | 173.7 | -75.4 | 175 | 167.1 | 161 | -9.2 | 111.4 | Q766 W772 L773 Q774 | Q766-R770 WeakPolarHBondContact O-CB 3.43Å; Q766-R770 WeakPolarHBondContact O-CG 3.48Å; Q766-R770 PolarHBondContact O-N 3.38Å; R770-W772 VanDerWaalsContact C-N 3.29Å; R770-W772 PolarHBondContact O-N 2.73Å; R770-L773 PolarHBondContact O-N 3.45Å; R770-Q774 WeakPolarHBondContact O-CB 3.04Å; R770-Q774 PolarHBondContact O-N 3.35Å |
| 771 | G | 96.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 105.5 Ų | 105.5 | 29% | 0.289 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.3 | -20.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | K767 T768 V769 R775 | K767-G771 PolarHBondContact O-N 2.93Å; T768-G771 PolarHBondContact O-N 2.87Å; V769-G771 VanDerWaalsContact C-N 3.31Å; V769-G771 PolarHBondContact O-N 3.26Å; G771-R775 WeakPolarHBondContact O-CG 3.37Å; G771-R775 PolarHBondContact O-NE 3.5Å |
| 772 | W | 95.7 | Very high | 94.7 | Very high | 153 Ų | 153 | 110.3 Ų | 110.3 | 58% | 0.58 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -81.9 | -47.4 | 172.5 | 172 | 87.2 | 0 | 0 | 0 | 111.1 | T768 V769 R770 Q774 R775 I776 | T768-W772 WeakPolarHBondContact O-CB 3.48Å; T768-W772 PolarHBondContact O-N 3.47Å; V769-W772 WeakPolarHBondContact O-CB 3.36Å; V769-W772 PolarHBondContact O-N 2.96Å; R770-W772 VanDerWaalsContact C-N 3.29Å; R770-W772 PolarHBondContact O-N 2.73Å; W772-Q774 PolarHBondContact O-N 3Å; W772-R775 PolarHBondContact O-N 2.94Å; W772-R775 VanDerWaalsContact O-N 3.14Å; W772-I776 HydrophobicContact CD2-CD1 3.87Å; W772-I776 VanDerWaalsContact CE2-CD1 3.42Å; W772-I776 HydrophobicContact CE3-CD1 4.19Å; W772-I776 HydrophobicContact CH2-CD1 3.75Å; W772-I776 HydrophobicContact CZ2-CD1 3.38Å; W772-I776 HydrophobicContact CZ3-CD1 4.14Å; W772-I776 PolarHBondContact O-N 2.87Å |
| 773 | L | 95.5 | Very high | 95 | Very high | 95 Ų | 95 | 116.3 Ų | 116.3 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -54 | -49.2 | 174.2 | -71.7 | 172.2 | 0 | 0 | 0 | 111.4 | V769 R770 R775 I776 R777 | V769-L773 HydrophobicContact CG1-CD1 4.07Å; V769-L773 HydrophobicContact CG1-CG 4.36Å; V769-L773 WeakPolarHBondContact O-CG 3.46Å; V769-L773 PolarHBondContact O-N 3.17Å; R770-L773 PolarHBondContact O-N 3.45Å; L773-R775 VanDerWaalsContact C-N 3.32Å; L773-R775 PolarHBondContact O-N 2.82Å; L773-I776 WeakPolarHBondContact O-CA 3.48Å; L773-I776 WeakPolarHBondContact O-CB 3.44Å; L773-I776 PolarHBondContact O-N 3.21Å; L773-R777 PolarHBondContact O-N 2.91Å |
| 774 | Q | 95.5 | Very high | 95.1 | Very high | 98 Ų | 98 | 115.1 Ų | 115.1 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -33.3 | -179.7 | -170.2 | 66.9 | -21.7 | 0 | 0 | 112.6 | R770 W772 I776 R777 Y778 | R770-Q774 WeakPolarHBondContact O-CB 3.04Å; R770-Q774 PolarHBondContact O-N 3.35Å; W772-Q774 PolarHBondContact O-N 3Å; Q774-I776 VanDerWaalsContact C-N 3.35Å; Q774-R777 PolarHBondContact O-N 2.72Å; Q774-Y778 WeakPolarHBondContact O-CB 3.33Å; Q774-Y778 PolarHBondContact O-N 2.72Å |
| 775 | R | 95.3 | Very high | 95.2 | Very high | 158 Ų | 158 | 111.4 Ų | 111.4 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.5 | -31.6 | 171.9 | -80.6 | -178.2 | -77.4 | -165.6 | -1.2 | 112.4 | G771 W772 L773 R779 | G771-R775 WeakPolarHBondContact O-CG 3.37Å; G771-R775 PolarHBondContact O-NE 3.5Å; W772-R775 PolarHBondContact O-N 2.94Å; W772-R775 VanDerWaalsContact O-N 3.14Å; L773-R775 VanDerWaalsContact C-N 3.32Å; L773-R775 PolarHBondContact O-N 2.82Å; R775-R779 VanDerWaalsContact O-CB 3.31Å; R775-R779 WeakPolarHBondContact O-CB 3.13Å; R775-R779 WeakPolarHBondContact O-CD 3.34Å; R775-R779 WeakPolarHBondContact O-CG 3.46Å; R775-R779 PolarHBondContact O-N 3.28Å; R775-R779 VanDerWaalsContact O-N 3.08Å |
| 776 | I | 95.8 | Very high | 95.3 | Very high | 68 Ų | 68 | 110.1 Ų | 110.1 | 35% | 0.349 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.9 | -47.6 | 170.9 | -71.3 | 177.1 | 0 | 0 | 0 | 111 | W772 L773 Q774 Y778 R779 R780 | W772-I776 HydrophobicContact CD2-CD1 3.87Å; W772-I776 VanDerWaalsContact CE2-CD1 3.42Å; W772-I776 HydrophobicContact CE3-CD1 4.19Å; W772-I776 HydrophobicContact CH2-CD1 3.75Å; W772-I776 HydrophobicContact CZ2-CD1 3.38Å; W772-I776 HydrophobicContact CZ3-CD1 4.14Å; W772-I776 PolarHBondContact O-N 2.87Å; L773-I776 WeakPolarHBondContact O-CA 3.48Å; L773-I776 WeakPolarHBondContact O-CB 3.44Å; L773-I776 PolarHBondContact O-N 3.21Å; Q774-I776 VanDerWaalsContact C-N 3.35Å; I776-Y778 PolarHBondContact O-N 2.95Å; I776-R779 CarbonylContact O-C 3.55Å; I776-R779 PolarHBondContact O-N 2.97Å; I776-R780 PolarHBondContact O-N 3.23Å |
| 777 | R | 95.2 | Very high | 95.4 | Very high | 119 Ų | 119 | 108 Ų | 108 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.2 | -51.4 | 176.6 | -173.1 | 175.9 | 176.7 | -173 | -1.9 | 110.8 | L773 Q774 R779 R780 V781 V1181 A1182 | L773-R777 PolarHBondContact O-N 2.91Å; Q774-R777 PolarHBondContact O-N 2.72Å; R777-R779 PolarHBondContact O-N 3.09Å; R777-R780 WeakPolarHBondContact O-CB 3.32Å; R777-R780 PolarHBondContact O-N 3.43Å; R777-R780 VanDerWaalsContact O-N 3.09Å; R777-V781 WeakPolarHBondContact O-CG2 3.43Å; R777-V781 PolarHBondContact O-N 2.89Å; R777-V1181 PolarHBondContact NH1-O 3.47Å; R777-A1182 PolarHBondContact NH2-O 2.88Å |
| 778 | Y | 95.8 | Very high | 95.4 | Very high | 147 Ų | 147 | 107.7 Ų | 107.7 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.3 | -44.8 | 175.6 | 177.5 | -100.4 | 0 | 0 | 0 | 112.9 | Q774 I776 R780 V781 R782 | Q774-Y778 WeakPolarHBondContact O-CB 3.33Å; Q774-Y778 PolarHBondContact O-N 2.72Å; I776-Y778 PolarHBondContact O-N 2.95Å; Y778-R780 VanDerWaalsContact C-N 3.27Å; Y778-R780 PolarHBondContact O-N 2.8Å; Y778-V781 PolarHBondContact O-N 3.34Å; Y778-R782 VanDerWaalsContact O-CB 3.27Å; Y778-R782 WeakPolarHBondContact O-CB 3.41Å; Y778-R782 PolarHBondContact O-N 3.37Å |
| 779 | R | 95.3 | Very high | 95.3 | Very high | 169 Ų | 169 | 108.4 Ų | 108.4 | 64% | 0.638 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.8 | -22.3 | 176.1 | -76.3 | 173.3 | 174.6 | -169.8 | -1.6 | 113.9 | R775 I776 R777 R783 | R775-R779 VanDerWaalsContact O-CB 3.31Å; R775-R779 WeakPolarHBondContact O-CB 3.13Å; R775-R779 WeakPolarHBondContact O-CD 3.34Å; R775-R779 WeakPolarHBondContact O-CG 3.46Å; R775-R779 PolarHBondContact O-N 3.28Å; R775-R779 VanDerWaalsContact O-N 3.08Å; I776-R779 CarbonylContact O-C 3.55Å; I776-R779 PolarHBondContact O-N 2.97Å; R777-R779 PolarHBondContact O-N 3.09Å; R779-R783 WeakPolarHBondContact O-CG 3.33Å; R779-R783 PolarHBondContact O-NE 3.44Å; R779-R783 VanDerWaalsContact O-NE 3.08Å |
| 780 | R | 94.3 | Very high | 95.4 | Very high | 188 Ų | 188 | 113 Ų | 113 | 71% | 0.709 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -79.3 | -52.1 | 172.3 | -172.2 | -178.2 | -77.9 | -176 | -4 | 110.1 | I776 R777 Y778 R782 R783 A784 | I776-R780 PolarHBondContact O-N 3.23Å; R777-R780 WeakPolarHBondContact O-CB 3.32Å; R777-R780 PolarHBondContact O-N 3.43Å; R777-R780 VanDerWaalsContact O-N 3.09Å; Y778-R780 VanDerWaalsContact C-N 3.27Å; Y778-R780 PolarHBondContact O-N 2.8Å; R780-R782 PolarHBondContact O-N 2.9Å; R780-R783 PolarHBondContact O-N 3.14Å; R780-R783 VanDerWaalsContact O-N 3.15Å; R780-A784 PolarHBondContact O-N 3.07Å |
| 781 | V | 95.4 | Very high | 95.3 | Very high | 93 Ų | 93 | 114.6 Ų | 114.6 | 56% | 0.564 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.3 | -48.8 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | R777 Y778 R783 A784 A785 | R777-V781 WeakPolarHBondContact O-CG2 3.43Å; R777-V781 PolarHBondContact O-N 2.89Å; Y778-V781 PolarHBondContact O-N 3.34Å; V781-R783 VanDerWaalsContact C-N 3.31Å; V781-R783 PolarHBondContact O-N 3.01Å; V781-A784 PolarHBondContact O-N 3.46Å; V781-A785 WeakPolarHBondContact O-CB 3.45Å; V781-A785 PolarHBondContact O-N 2.77Å |
| 782 | R | 96.3 | Very high | 95.3 | Very high | 144 Ų | 144 | 114.8 Ų | 114.8 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -37 | 177.3 | 176.3 | 177.3 | 156.8 | -164.1 | -7.3 | 112.6 | Y778 R780 I786 | Y778-R782 VanDerWaalsContact O-CB 3.27Å; Y778-R782 WeakPolarHBondContact O-CB 3.41Å; Y778-R782 PolarHBondContact O-N 3.37Å; R780-R782 PolarHBondContact O-N 2.9Å; R782-I786 HydrophobicContact CG-CD1 3.77Å; R782-I786 HydrophobicContact CG-CG1 4.47Å; R782-I786 WeakPolarHBondContact O-CB 3.4Å; R782-I786 VanDerWaalsContact O-CG1 3.27Å; R782-I786 WeakPolarHBondContact O-CG1 3.35Å; R782-I786 PolarHBondContact O-N 2.62Å |
| 783 | R | 95.4 | Very high | 95.3 | Very high | 185 Ų | 185 | 115.3 Ų | 115.3 | 70% | 0.698 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.5 | -42.3 | 175.7 | -86.3 | -172.6 | -76.3 | 178 | -4.6 | 111.9 | R779 R780 V781 G787 | R779-R783 WeakPolarHBondContact O-CG 3.33Å; R779-R783 PolarHBondContact O-NE 3.44Å; R779-R783 VanDerWaalsContact O-NE 3.08Å; R780-R783 PolarHBondContact O-N 3.14Å; R780-R783 VanDerWaalsContact O-N 3.15Å; V781-R783 VanDerWaalsContact C-N 3.31Å; V781-R783 PolarHBondContact O-N 3.01Å; R783-G787 PolarHBondContact O-N 3.36Å |
| 784 | A | 95 | Very high | 95.3 | Very high | 68 Ų | 68 | 111.9 Ų | 111.9 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.1 | -47.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R780 V781 G787 L788 | R780-A784 PolarHBondContact O-N 3.07Å; V781-A784 PolarHBondContact O-N 3.46Å; A784-G787 PolarHBondContact O-N 3.01Å; A784-L788 PolarHBondContact O-N 3.25Å |
| 785 | A | 95.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 113.6 Ų | 113.6 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V781 G787 L788 Q789 | V781-A785 WeakPolarHBondContact O-CB 3.45Å; V781-A785 PolarHBondContact O-N 2.77Å; A785-G787 VanDerWaalsContact C-N 3.31Å; A785-G787 PolarHBondContact O-N 2.64Å; A785-L788 PolarHBondContact O-N 3.12Å; A785-Q789 WeakPolarHBondContact O-CB 3.3Å; A785-Q789 VanDerWaalsContact O-CG 3.26Å; A785-Q789 WeakPolarHBondContact O-CG 3.48Å; A785-Q789 PolarHBondContact O-N 3.12Å |
| 786 | I | 96.2 | Very high | 95.2 | Very high | 87 Ų | 87 | 111.3 Ų | 111.3 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 176.2 | -68.5 | 169.3 | 0 | 0 | 0 | 111.1 | R782 R790 | R782-I786 HydrophobicContact CG-CD1 3.77Å; R782-I786 HydrophobicContact CG-CG1 4.47Å; R782-I786 WeakPolarHBondContact O-CB 3.4Å; R782-I786 VanDerWaalsContact O-CG1 3.27Å; R782-I786 WeakPolarHBondContact O-CG1 3.35Å; R782-I786 PolarHBondContact O-N 2.62Å; I786-R790 WeakPolarHBondContact O-CB 3.5Å; I786-R790 PolarHBondContact O-N 3.5Å |
| 787 | G | 94.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 111 Ų | 111 | 23% | 0.227 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -59.5 | -52.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R783 A784 A785 Q789 R790 Y791 | R783-G787 PolarHBondContact O-N 3.36Å; A784-G787 PolarHBondContact O-N 3.01Å; A785-G787 VanDerWaalsContact C-N 3.31Å; A785-G787 PolarHBondContact O-N 2.64Å; G787-Q789 PolarHBondContact O-N 2.78Å; G787-R790 WeakPolarHBondContact O-CB 3.42Å; G787-R790 PolarHBondContact O-N 3.34Å; G787-R790 VanDerWaalsContact O-N 3.11Å; G787-Y791 WeakPolarHBondContact O-CD2 3.21Å; G787-Y791 PolarHBondContact O-N 3.32Å |
| 788 | L | 94.9 | Very high | 95.1 | Very high | 132 Ų | 132 | 112.5 Ų | 112.5 | 69% | 0.691 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.2 | -44.9 | 177.6 | -175.6 | 64.3 | 0 | 0 | 0 | 111.6 | A784 A785 R790 Y791 G792 | A784-L788 PolarHBondContact O-N 3.25Å; A785-L788 PolarHBondContact O-N 3.12Å; L788-R790 VanDerWaalsContact C-N 3.3Å; L788-R790 PolarHBondContact O-N 3.05Å; L788-Y791 PolarHBondContact O-N 3.26Å; L788-G792 PolarHBondContact O-N 2.74Å |
| 789 | Q | 94.6 | Very high | 95.1 | Very high | 99 Ų | 99 | 113.1 Ų | 113.1 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.5 | -37.4 | 174.6 | -73.5 | 176.6 | 9 | 0 | 0 | 112.8 | A785 G787 R793 | A785-Q789 WeakPolarHBondContact O-CB 3.3Å; A785-Q789 VanDerWaalsContact O-CG 3.26Å; A785-Q789 WeakPolarHBondContact O-CG 3.48Å; A785-Q789 PolarHBondContact O-N 3.12Å; G787-Q789 PolarHBondContact O-N 2.78Å; Q789-R793 WeakPolarHBondContact O-CB 3.32Å; Q789-R793 VanDerWaalsContact O-CG 3.27Å; Q789-R793 WeakPolarHBondContact O-CG 3.2Å; Q789-R793 PolarHBondContact O-N 2.74Å |
| 790 | R | 95.4 | Very high | 95 | Very high | 163 Ų | 163 | 112.1 Ų | 112.1 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -46 | 175.6 | -172.7 | -175.9 | 71.5 | 170.3 | 4.5 | 111.2 | I786 G787 L788 G794 | I786-R790 WeakPolarHBondContact O-CB 3.5Å; I786-R790 PolarHBondContact O-N 3.5Å; G787-R790 WeakPolarHBondContact O-CB 3.42Å; G787-R790 PolarHBondContact O-N 3.34Å; G787-R790 VanDerWaalsContact O-N 3.11Å; L788-R790 VanDerWaalsContact C-N 3.3Å; L788-R790 PolarHBondContact O-N 3.05Å; R790-G794 PolarHBondContact O-N 2.72Å |
| 791 | Y | 94.3 | Very high | 95 | Very high | 147 Ų | 147 | 105.4 Ų | 105.4 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66 | -42.3 | 177.2 | -72.8 | -67.7 | 0 | 0 | 0 | 112.3 | G787 L788 G794 Y795 | G787-Y791 WeakPolarHBondContact O-CD2 3.21Å; G787-Y791 PolarHBondContact O-N 3.32Å; L788-Y791 PolarHBondContact O-N 3.26Å; Y791-G794 PolarHBondContact O-N 2.77Å; Y791-Y795 WeakPolarHBondContact O-CB 3.44Å; Y791-Y795 PolarHBondContact O-N 2.81Å |
| 792 | G | 95.4 | Very high | 95 | Very high | 32 Ų | 32 | 106.4 Ų | 106.4 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L788 G794 Y795 L796 | L788-G792 PolarHBondContact O-N 2.74Å; G792-G794 VanDerWaalsContact C-N 3.33Å; G792-G794 PolarHBondContact O-N 3.05Å; G792-Y795 PolarHBondContact O-N 2.82Å; G792-L796 WeakPolarHBondContact O-CG 3.47Å; G792-L796 PolarHBondContact O-N 3.03Å |
| 793 | R | 96.1 | Very high | 94.9 | Very high | 164 Ų | 164 | 104.8 Ų | 104.8 | 62% | 0.619 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.2 | -44.1 | 173.5 | -73.6 | 172.7 | 178.4 | 125.1 | 1.2 | 111.8 | Q789 L796 A797 | Q789-R793 WeakPolarHBondContact O-CB 3.32Å; Q789-R793 VanDerWaalsContact O-CG 3.27Å; Q789-R793 WeakPolarHBondContact O-CG 3.2Å; Q789-R793 PolarHBondContact O-N 2.74Å; R793-L796 PolarHBondContact O-N 3.24Å; R793-A797 PolarHBondContact O-N 3.17Å; R793-A797 VanDerWaalsContact O-N 3.07Å |
| 794 | G | 94.8 | Very high | 94.8 | Very high | 23 Ų | 23 | 99.9 Ų | 99.9 | 24% | 0.237 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | R790 Y791 G792 R798 | R790-G794 PolarHBondContact O-N 2.72Å; Y791-G794 PolarHBondContact O-N 2.77Å; G792-G794 VanDerWaalsContact C-N 3.33Å; G792-G794 PolarHBondContact O-N 3.05Å; G794-R798 WeakPolarHBondContact O-CG 3.3Å; G794-R798 PolarHBondContact O-N 3.35Å; G794-R798 VanDerWaalsContact O-N 3.09Å; G794-R798 PolarHBondContact O-NH1 2.85Å |
| 795 | Y | 94.8 | Very high | 94.7 | Very high | 134 Ų | 134 | 106 Ų | 106 | 53% | 0.525 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.2 | -46.3 | 175.2 | 174.8 | -112.1 | 0 | 0 | 0 | 111.8 | Y791 G792 A797 R798 R799 | Y791-Y795 WeakPolarHBondContact O-CB 3.44Å; Y791-Y795 PolarHBondContact O-N 2.81Å; G792-Y795 PolarHBondContact O-N 2.82Å; Y795-A797 VanDerWaalsContact C-N 3.32Å; Y795-A797 PolarHBondContact O-N 3.16Å; Y795-R798 PolarHBondContact O-N 3.23Å; Y795-R799 WeakPolarHBondContact O-CB 3.3Å; Y795-R799 PolarHBondContact O-N 3.08Å |
| 796 | L | 95.2 | Very high | 94.6 | Very high | 110 Ų | 110 | 109.3 Ų | 109.3 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.8 | -44.1 | 175.2 | -70.3 | 170.2 | 0 | 0 | 0 | 111.7 | G792 R793 R799 Y800 | G792-L796 WeakPolarHBondContact O-CG 3.47Å; G792-L796 PolarHBondContact O-N 3.03Å; R793-L796 PolarHBondContact O-N 3.24Å; L796-R799 PolarHBondContact O-N 2.78Å; L796-Y800 WeakPolarHBondContact O-CB 3.41Å; L796-Y800 PolarHBondContact O-N 3.05Å |
| 797 | A | 94.3 | Very high | 94.4 | Very high | 61 Ų | 61 | 108.4 Ų | 108.4 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R793 Y795 Y800 A801 | R793-A797 PolarHBondContact O-N 3.17Å; R793-A797 VanDerWaalsContact O-N 3.07Å; Y795-A797 VanDerWaalsContact C-N 3.32Å; Y795-A797 PolarHBondContact O-N 3.16Å; A797-Y800 PolarHBondContact O-N 2.92Å; A797-A801 WeakPolarHBondContact O-CB 3.5Å; A797-A801 PolarHBondContact O-N 3.5Å |
| 798 | R | 94.1 | Very high | 94.3 | Very high | 152 Ų | 152 | 116 Ų | 116 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -48 | 175.4 | -75.9 | -172.4 | -63.1 | -85.3 | 2.9 | 112.1 | G794 Y795 Y800 A801 E802 | G794-R798 WeakPolarHBondContact O-CG 3.3Å; G794-R798 PolarHBondContact O-N 3.35Å; G794-R798 VanDerWaalsContact O-N 3.09Å; G794-R798 PolarHBondContact O-NH1 2.85Å; Y795-R798 PolarHBondContact O-N 3.23Å; R798-Y800 VanDerWaalsContact C-N 3.29Å; R798-Y800 PolarHBondContact O-N 2.79Å; R798-A801 PolarHBondContact O-N 3.05Å; R798-E802 WeakPolarHBondContact O-CB 3.4Å; R798-E802 PolarHBondContact O-N 2.97Å |
| 799 | R | 94.8 | Very high | 94.2 | Very high | 160 Ų | 160 | 112.2 Ų | 112.2 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.6 | -39.8 | 178 | -175.7 | 179.5 | 176 | -164.8 | -0.8 | 112 | Y795 L796 F803 | Y795-R799 WeakPolarHBondContact O-CB 3.3Å; Y795-R799 PolarHBondContact O-N 3.08Å; L796-R799 PolarHBondContact O-N 2.78Å; R799-F803 WeakPolarHBondContact O-CB 3.47Å; R799-F803 PolarHBondContact O-N 2.94Å |
| 800 | Y | 94.4 | Very high | 94.1 | Very high | 147 Ų | 147 | 109.5 Ų | 109.5 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69 | -44.2 | 175.8 | -175.8 | -111.7 | 0 | 0 | 0 | 112.4 | L796 A797 R798 E802 F803 L804 | L796-Y800 WeakPolarHBondContact O-CB 3.41Å; L796-Y800 PolarHBondContact O-N 3.05Å; A797-Y800 PolarHBondContact O-N 2.92Å; R798-Y800 VanDerWaalsContact C-N 3.29Å; R798-Y800 PolarHBondContact O-N 2.79Å; Y800-E802 VanDerWaalsContact C-N 3.3Å; Y800-E802 PolarHBondContact O-N 3.4Å; Y800-F803 PolarHBondContact O-N 3.36Å; Y800-L804 HydrophobicContact CD1-CD1 4.01Å; Y800-L804 HydrophobicContact CE1-CD1 3.54Å; Y800-L804 HydrophobicContact CE1-CG 4.24Å; Y800-L804 WeakPolarHBondContact O-CG 3.49Å; Y800-L804 PolarHBondContact O-N 2.89Å |
| 801 | A | 93.9 | Very high | 94 | Very high | 48 Ų | 48 | 107.1 Ų | 107.1 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A797 R798 L804 R805 | A797-A801 WeakPolarHBondContact O-CB 3.5Å; A797-A801 PolarHBondContact O-N 3.5Å; R798-A801 PolarHBondContact O-N 3.05Å; A801-L804 PolarHBondContact O-N 3.36Å; A801-R805 VanDerWaalsContact O-CG 3.28Å; A801-R805 WeakPolarHBondContact O-CG 3.23Å; A801-R805 PolarHBondContact O-N 3.18Å |
| 802 | E | 94.4 | Very high | 93.9 | Very high | 113 Ų | 113 | 104.2 Ų | 104.2 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -47.4 | 174.8 | 179.9 | 163.7 | -148.8 | 0 | 0 | 112.1 | R798 Y800 L804 R805 Q806 | R798-E802 WeakPolarHBondContact O-CB 3.4Å; R798-E802 PolarHBondContact O-N 2.97Å; Y800-E802 VanDerWaalsContact C-N 3.3Å; Y800-E802 PolarHBondContact O-N 3.4Å; E802-L804 VanDerWaalsContact C-N 3.3Å; E802-L804 PolarHBondContact O-N 3.46Å; E802-R805 WeakPolarHBondContact O-CA 3.43Å; E802-R805 WeakPolarHBondContact O-CB 3.48Å; E802-R805 PolarHBondContact O-N 3.12Å; E802-Q806 HydrophobicContact CG-CG 4.45Å; E802-Q806 WeakPolarHBondContact O-CG 3.26Å; E802-Q806 PolarHBondContact O-N 2.83Å |
| 803 | F | 94.3 | Very high | 93.7 | Very high | 110 Ų | 110 | 106.8 Ų | 106.8 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.9 | -43.1 | 172.5 | 174.3 | -107.9 | 0 | 0 | 0 | 112.2 | R799 Y800 Q806 N807 | R799-F803 WeakPolarHBondContact O-CB 3.47Å; R799-F803 PolarHBondContact O-N 2.94Å; Y800-F803 PolarHBondContact O-N 3.36Å; F803-Q806 PolarHBondContact O-N 3.32Å; F803-N807 WeakPolarHBondContact CE1-ND2 3.48Å; F803-N807 VanDerWaalsContact CE2-ND2 3.28Å; F803-N807 WeakPolarHBondContact CE2-ND2 3.46Å; F803-N807 WeakPolarHBondContact CZ-ND2 3.3Å; F803-N807 WeakPolarHBondContact O-CB 3.21Å; F803-N807 PolarHBondContact O-N 2.96Å; F803-N807 PolarHBondContact O-ND2 2.67Å; F803-N807 VanDerWaalsContact O-ND2 3.14Å |
| 804 | L | 94 | Very high | 93.4 | Very high | 82 Ų | 82 | 103.4 Ų | 103.4 | 43% | 0.429 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 174 | -70.6 | 179 | 0 | 0 | 0 | 112.7 | Y800 A801 E802 R808 | Y800-L804 HydrophobicContact CD1-CD1 4.01Å; Y800-L804 HydrophobicContact CE1-CD1 3.54Å; Y800-L804 HydrophobicContact CE1-CG 4.24Å; Y800-L804 WeakPolarHBondContact O-CG 3.49Å; Y800-L804 PolarHBondContact O-N 2.89Å; A801-L804 PolarHBondContact O-N 3.36Å; E802-L804 VanDerWaalsContact C-N 3.3Å; E802-L804 PolarHBondContact O-N 3.46Å; L804-R808 VanDerWaalsContact O-CB 3.27Å; L804-R808 WeakPolarHBondContact O-CB 3.42Å; L804-R808 PolarHBondContact O-N 2.68Å |
| 805 | R | 93.3 | Very high | 93.3 | Very high | 196 Ų | 196 | 109.5 Ų | 109.5 | 74% | 0.74 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | 175.2 | -75.1 | 169.6 | 69 | 106.5 | -0.6 | 111.8 | A801 E802 R808 A809 | A801-R805 VanDerWaalsContact O-CG 3.28Å; A801-R805 WeakPolarHBondContact O-CG 3.23Å; A801-R805 PolarHBondContact O-N 3.18Å; E802-R805 WeakPolarHBondContact O-CA 3.43Å; E802-R805 WeakPolarHBondContact O-CB 3.48Å; E802-R805 PolarHBondContact O-N 3.12Å; R805-R808 PolarHBondContact O-N 2.92Å; R805-A809 WeakPolarHBondContact O-CB 3.34Å; R805-A809 PolarHBondContact O-N 3.06Å |
| 806 | Q | 93 | Very high | 93.2 | Very high | 113 Ų | 113 | 107.8 Ų | 107.8 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 176.9 | -70.4 | 173.4 | -0.2 | 0 | 0 | 111.1 | E802 F803 R808 A809 A810 | E802-Q806 HydrophobicContact CG-CG 4.45Å; E802-Q806 WeakPolarHBondContact O-CG 3.26Å; E802-Q806 PolarHBondContact O-N 2.83Å; F803-Q806 PolarHBondContact O-N 3.32Å; Q806-R808 PolarHBondContact O-N 3.14Å; Q806-A809 PolarHBondContact O-N 3.47Å; Q806-A810 WeakPolarHBondContact O-CB 3.35Å; Q806-A810 PolarHBondContact O-N 3.4Å |
| 807 | N | 92.4 | Very high | 93.1 | Very high | 68 Ų | 68 | 109.9 Ų | 109.9 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.2 | -74.9 | -36.2 | 0 | 0 | 0 | 112.5 | F803 A810 L811 | F803-N807 WeakPolarHBondContact CE1-ND2 3.48Å; F803-N807 VanDerWaalsContact CE2-ND2 3.28Å; F803-N807 WeakPolarHBondContact CE2-ND2 3.46Å; F803-N807 WeakPolarHBondContact CZ-ND2 3.3Å; F803-N807 WeakPolarHBondContact O-CB 3.21Å; F803-N807 PolarHBondContact O-N 2.96Å; F803-N807 PolarHBondContact O-ND2 2.67Å; F803-N807 VanDerWaalsContact O-ND2 3.14Å; N807-A810 PolarHBondContact O-N 2.8Å; N807-L811 WeakPolarHBondContact O-CB 3.35Å; N807-L811 WeakPolarHBondContact O-CG 3.45Å; N807-L811 PolarHBondContact O-N 3.3Å |
| 808 | R | 91.9 | Very high | 93 | Very high | 183 Ų | 183 | 114.5 Ų | 114.5 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -39.8 | 175.8 | -174.3 | 174.5 | 178.6 | 174.9 | -0.4 | 111.9 | L804 R805 Q806 I812 | L804-R808 VanDerWaalsContact O-CB 3.27Å; L804-R808 WeakPolarHBondContact O-CB 3.42Å; L804-R808 PolarHBondContact O-N 2.68Å; R805-R808 PolarHBondContact O-N 2.92Å; Q806-R808 PolarHBondContact O-N 3.14Å; R808-I812 HydrophobicContact CG-CD1 3.98Å; R808-I812 WeakPolarHBondContact O-CB 3.27Å; R808-I812 WeakPolarHBondContact O-CD1 3.48Å; R808-I812 VanDerWaalsContact O-CG1 3.23Å; R808-I812 WeakPolarHBondContact O-CG1 3.36Å; R808-I812 PolarHBondContact O-N 3.38Å |
| 809 | A | 92.2 | Very high | 93 | Very high | 51 Ų | 51 | 111.2 Ų | 111.2 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -46.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | R805 Q806 L811 I812 C813 | R805-A809 WeakPolarHBondContact O-CB 3.34Å; R805-A809 PolarHBondContact O-N 3.06Å; Q806-A809 PolarHBondContact O-N 3.47Å; A809-L811 PolarHBondContact O-N 2.72Å; A809-I812 PolarHBondContact O-N 2.91Å; A809-C813 PolarHBondContact O-N 2.88Å; A809-C813 PolarHBondContact O-SG 3.39Å |
| 810 | A | 92.9 | Very high | 93 | Very high | 43 Ų | 43 | 106.1 Ų | 106.1 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q806 N807 I812 C813 Q814 | Q806-A810 WeakPolarHBondContact O-CB 3.35Å; Q806-A810 PolarHBondContact O-N 3.4Å; N807-A810 PolarHBondContact O-N 2.8Å; A810-I812 PolarHBondContact O-N 2.78Å; A810-C813 PolarHBondContact O-N 3.48Å; A810-Q814 WeakPolarHBondContact O-CB 3.39Å; A810-Q814 VanDerWaalsContact O-CG 3.26Å; A810-Q814 WeakPolarHBondContact O-CG 3.34Å; A810-Q814 PolarHBondContact O-N 3.34Å |
| 811 | L | 92.7 | Very high | 92.9 | Very high | 113 Ų | 113 | 102.8 Ų | 102.8 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -39.1 | 176.2 | -75.2 | 169.8 | 0 | 0 | 0 | 112.7 | N807 A809 K815 | N807-L811 WeakPolarHBondContact O-CB 3.35Å; N807-L811 WeakPolarHBondContact O-CG 3.45Å; N807-L811 PolarHBondContact O-N 3.3Å; A809-L811 PolarHBondContact O-N 2.72Å; L811-K815 WeakPolarHBondContact O-CB 3.33Å; L811-K815 PolarHBondContact O-N 3.29Å |
| 812 | I | 92.3 | Very high | 92.9 | Very high | 85 Ų | 85 | 105.1 Ų | 105.1 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 174.8 | -72 | 165.3 | 0 | 0 | 0 | 110.4 | R808 A809 A810 K815 Q816 | R808-I812 HydrophobicContact CG-CD1 3.98Å; R808-I812 WeakPolarHBondContact O-CB 3.27Å; R808-I812 WeakPolarHBondContact O-CD1 3.48Å; R808-I812 VanDerWaalsContact O-CG1 3.23Å; R808-I812 WeakPolarHBondContact O-CG1 3.36Å; R808-I812 PolarHBondContact O-N 3.38Å; A809-I812 PolarHBondContact O-N 2.91Å; A810-I812 PolarHBondContact O-N 2.78Å; I812-K815 PolarHBondContact O-N 3Å; I812-Q816 HydrophobicContact CG2-CG 4.33Å; I812-Q816 VanDerWaalsContact O-CG 3.3Å; I812-Q816 WeakPolarHBondContact O-CG 3.36Å; I812-Q816 PolarHBondContact O-N 3.46Å |
| 813 | C | 91.3 | Very high | 92.8 | Very high | 86 Ų | 86 | 107.5 Ų | 107.5 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -46.7 | 178.7 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | A809 A810 K815 Q816 Y817 | A809-C813 PolarHBondContact O-N 2.88Å; A809-C813 PolarHBondContact O-SG 3.39Å; A810-C813 PolarHBondContact O-N 3.48Å; C813-K815 PolarHBondContact O-N 3.5Å; C813-Q816 PolarHBondContact O-N 2.89Å; C813-Y817 VanDerWaalsContact O-CB 3.32Å; C813-Y817 WeakPolarHBondContact O-CB 3.49Å; C813-Y817 PolarHBondContact O-N 2.9Å |
| 814 | Q | 91.1 | Very high | 92.7 | Very high | 94 Ų | 94 | 111.2 Ų | 111.2 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.4 | -71.1 | 174 | 10.1 | 0 | 0 | 112.2 | A810 R818 | A810-Q814 WeakPolarHBondContact O-CB 3.39Å; A810-Q814 VanDerWaalsContact O-CG 3.26Å; A810-Q814 WeakPolarHBondContact O-CG 3.34Å; A810-Q814 PolarHBondContact O-N 3.34Å; Q814-R818 WeakPolarHBondContact O-CB 3.49Å; Q814-R818 VanDerWaalsContact O-CG 3.25Å; Q814-R818 WeakPolarHBondContact O-CG 3.31Å; Q814-R818 PolarHBondContact O-N 2.96Å |
| 815 | K | 92.9 | Very high | 92.5 | Very high | 150 Ų | 150 | 112.1 Ų | 112.1 | 65% | 0.652 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -49.2 | 176.6 | 178 | -178.3 | 176.7 | 180 | 0 | 111.4 | L811 I812 C813 M819 | L811-K815 WeakPolarHBondContact O-CB 3.33Å; L811-K815 PolarHBondContact O-N 3.29Å; I812-K815 PolarHBondContact O-N 3Å; C813-K815 PolarHBondContact O-N 3.5Å; K815-M819 WeakPolarHBondContact O-CB 3.27Å; K815-M819 PolarHBondContact O-N 3.31Å |
| 816 | Q | 91.8 | Very high | 92.5 | Very high | 99 Ų | 99 | 109 Ų | 109 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | -178.2 | -65.2 | -66.9 | 15.6 | 0 | 0 | 111.5 | I812 C813 M819 V820 | I812-Q816 HydrophobicContact CG2-CG 4.33Å; I812-Q816 VanDerWaalsContact O-CG 3.3Å; I812-Q816 WeakPolarHBondContact O-CG 3.36Å; I812-Q816 PolarHBondContact O-N 3.46Å; C813-Q816 PolarHBondContact O-N 2.89Å; Q816-M819 PolarHBondContact O-N 3.16Å; Q816-V820 WeakPolarHBondContact O-CB 3.37Å; Q816-V820 VanDerWaalsContact O-CG2 3.3Å; Q816-V820 WeakPolarHBondContact O-CG2 3.42Å; Q816-V820 PolarHBondContact O-N 3.33Å |
| 817 | Y | 92.5 | Very high | 92.5 | Very high | 153 Ų | 153 | 106.1 Ų | 106.1 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.8 | -52.3 | 174.8 | 176.8 | -96.4 | 0 | 0 | 0 | 111.9 | C813 M819 V820 Q821 | C813-Y817 VanDerWaalsContact O-CB 3.32Å; C813-Y817 WeakPolarHBondContact O-CB 3.49Å; C813-Y817 PolarHBondContact O-N 2.9Å; Y817-M819 VanDerWaalsContact C-N 3.34Å; Y817-M819 PolarHBondContact O-N 2.75Å; Y817-V820 PolarHBondContact O-N 2.91Å; Y817-Q821 WeakPolarHBondContact O-CB 3.46Å; Y817-Q821 PolarHBondContact O-N 3.3Å |
| 818 | R | 93.6 | Very high | 92.4 | Very high | 158 Ų | 158 | 112.5 Ų | 112.5 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.3 | -44 | 178 | -70.7 | 172.2 | -175.7 | 172.7 | 3.7 | 111.6 | Q814 Q821 E822 | Q814-R818 WeakPolarHBondContact O-CB 3.49Å; Q814-R818 VanDerWaalsContact O-CG 3.25Å; Q814-R818 WeakPolarHBondContact O-CG 3.31Å; Q814-R818 PolarHBondContact O-N 2.96Å; R818-Q821 PolarHBondContact O-N 2.95Å; R818-E822 PolarHBondContact O-N 3.39Å; R818-E822 VanDerWaalsContact O-N 3.13Å |
| 819 | M | 93.4 | Very high | 92.4 | Very high | 84 Ų | 84 | 109 Ų | 109 | 41% | 0.414 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 176.4 | -179.4 | -78.9 | -67 | 0 | 0 | 112 | K815 Q816 Y817 Q821 E822 R823 | K815-M819 WeakPolarHBondContact O-CB 3.27Å; K815-M819 PolarHBondContact O-N 3.31Å; Q816-M819 PolarHBondContact O-N 3.16Å; Y817-M819 VanDerWaalsContact C-N 3.34Å; Y817-M819 PolarHBondContact O-N 2.75Å; M819-Q821 VanDerWaalsContact C-N 3.33Å; M819-Q821 PolarHBondContact O-N 2.91Å; M819-E822 PolarHBondContact O-N 3.44Å; M819-R823 WeakPolarHBondContact O-CB 3.37Å; M819-R823 PolarHBondContact O-N 2.87Å; M819-R823 HydrophobicContact SD-CB 4.29Å |
| 820 | V | 93.8 | Very high | 92.4 | Very high | 52 Ų | 52 | 113.6 Ų | 113.6 | 32% | 0.315 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -37.8 | 179.1 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | Q816 Y817 R824 | Q816-V820 WeakPolarHBondContact O-CB 3.37Å; Q816-V820 VanDerWaalsContact O-CG2 3.3Å; Q816-V820 WeakPolarHBondContact O-CG2 3.42Å; Q816-V820 PolarHBondContact O-N 3.33Å; Y817-V820 PolarHBondContact O-N 2.91Å; V820-R824 HydrophobicContact CG1-CG 4.31Å; V820-R824 VanDerWaalsContact O-CB 3.27Å; V820-R824 WeakPolarHBondContact O-CB 3.34Å; V820-R824 WeakPolarHBondContact O-CG 3.35Å; V820-R824 PolarHBondContact O-N 3.32Å |
| 821 | Q | 94.3 | Very high | 92.4 | Very high | 78 Ų | 78 | 120.6 Ų | 120.6 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -53.7 | 176.6 | -171.7 | 178.8 | 14.2 | 0 | 0 | 111.5 | Y817 R818 M819 R824 K825 | Y817-Q821 WeakPolarHBondContact O-CB 3.46Å; Y817-Q821 PolarHBondContact O-N 3.3Å; R818-Q821 PolarHBondContact O-N 2.95Å; M819-Q821 VanDerWaalsContact C-N 3.33Å; M819-Q821 PolarHBondContact O-N 2.91Å; Q821-R824 PolarHBondContact O-N 3.01Å; Q821-K825 PolarHBondContact O-N 3.35Å |
| 822 | E | 93.1 | Very high | 92.3 | Very high | 97 Ų | 97 | 117.6 Ų | 117.6 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.3 | -38.7 | 179.7 | -62.3 | -44.4 | 117 | 0 | 0 | 112.5 | R818 M819 R824 K825 F826 | R818-E822 PolarHBondContact O-N 3.39Å; R818-E822 VanDerWaalsContact O-N 3.13Å; M819-E822 PolarHBondContact O-N 3.44Å; E822-R824 VanDerWaalsContact C-N 3.3Å; E822-R824 PolarHBondContact O-N 3.03Å; E822-K825 PolarHBondContact O-N 2.98Å; E822-K825 WeakPolarHBondContact OE1-CE 3.48Å; E822-K825 IonicContact OE1-NZ 3.23Å; E822-K825 PolarHBondContact OE1-NZ 2.99Å; E822-K825 WeakPolarHBondContact OE2-CD 3.34Å; E822-K825 IonicContact OE2-NZ 2.75Å; E822-K825 PolarHBondContact OE2-NZ 2.78Å; E822-F826 WeakPolarHBondContact O-CB 3.21Å; E822-F826 PolarHBondContact O-N 2.78Å |
| 823 | R | 91.3 | Very high | 92.2 | Very high | 163 Ų | 163 | 117.5 Ų | 117.5 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.1 | -38.1 | 174.3 | -172.8 | 174.8 | -177.8 | -114.7 | 3 | 111.7 | M819 L827 | M819-R823 WeakPolarHBondContact O-CB 3.37Å; M819-R823 PolarHBondContact O-N 2.87Å; M819-R823 HydrophobicContact SD-CB 4.29Å; R823-L827 HydrophobicContact CG-CD1 3.93Å; R823-L827 HydrophobicContact CG-CG 4.42Å; R823-L827 VanDerWaalsContact O-CB 3.3Å; R823-L827 WeakPolarHBondContact O-CB 3.3Å; R823-L827 VanDerWaalsContact O-CG 3.22Å; R823-L827 WeakPolarHBondContact O-CG 3.47Å; R823-L827 PolarHBondContact O-N 3.25Å |
| 824 | R | 92.3 | Very high | 92.2 | Very high | 187 Ų | 187 | 116.7 Ų | 116.7 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.9 | -43.1 | 174.5 | -78.1 | 173.5 | 175.4 | -176.2 | -0.7 | 112 | V820 Q821 E822 R828 | V820-R824 HydrophobicContact CG1-CG 4.31Å; V820-R824 VanDerWaalsContact O-CB 3.27Å; V820-R824 WeakPolarHBondContact O-CB 3.34Å; V820-R824 WeakPolarHBondContact O-CG 3.35Å; V820-R824 PolarHBondContact O-N 3.32Å; Q821-R824 PolarHBondContact O-N 3.01Å; E822-R824 VanDerWaalsContact C-N 3.3Å; E822-R824 PolarHBondContact O-N 3.03Å; R824-R828 WeakPolarHBondContact O-CB 3.38Å; R824-R828 PolarHBondContact O-N 2.9Å |
| 825 | K | 91.3 | Very high | 92.2 | Very high | 101 Ų | 101 | 116 Ų | 116 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.7 | -53.9 | 173.7 | -72.5 | 168.7 | 175.5 | 175.1 | 0 | 111.3 | Q821 E822 L827 R828 I829 | Q821-K825 PolarHBondContact O-N 3.35Å; E822-K825 PolarHBondContact O-N 2.98Å; E822-K825 WeakPolarHBondContact OE1-CE 3.48Å; E822-K825 IonicContact OE1-NZ 3.23Å; E822-K825 PolarHBondContact OE1-NZ 2.99Å; E822-K825 WeakPolarHBondContact OE2-CD 3.34Å; E822-K825 IonicContact OE2-NZ 2.75Å; E822-K825 PolarHBondContact OE2-NZ 2.78Å; K825-L827 PolarHBondContact O-N 3.44Å; K825-R828 WeakPolarHBondContact O-CB 3.17Å; K825-R828 PolarHBondContact O-N 3.48Å; K825-I829 PolarHBondContact O-N 3.27Å; K825-I829 VanDerWaalsContact O-N 3.08Å |
| 826 | F | 92.8 | Very high | 92 | Very high | 131 Ų | 131 | 114.4 Ų | 114.4 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.7 | -45.3 | -179.4 | 178 | -100.7 | 0 | 0 | 0 | 112.4 | E822 R828 I829 R830 | E822-F826 WeakPolarHBondContact O-CB 3.21Å; E822-F826 PolarHBondContact O-N 2.78Å; F826-R828 VanDerWaalsContact C-N 3.31Å; F826-R828 PolarHBondContact O-N 2.84Å; F826-I829 PolarHBondContact O-N 3.49Å; F826-R830 WeakPolarHBondContact O-CB 3.47Å; F826-R830 PolarHBondContact O-N 3.05Å |
| 827 | L | 93.1 | Very high | 91.9 | Very high | 53 Ų | 53 | 113.3 Ų | 113.3 | 28% | 0.277 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -31 | 178.1 | -72.3 | 173.4 | 0 | 0 | 0 | 113 | R823 K825 R831 | R823-L827 HydrophobicContact CG-CD1 3.93Å; R823-L827 HydrophobicContact CG-CG 4.42Å; R823-L827 VanDerWaalsContact O-CB 3.3Å; R823-L827 WeakPolarHBondContact O-CB 3.3Å; R823-L827 VanDerWaalsContact O-CG 3.22Å; R823-L827 WeakPolarHBondContact O-CG 3.47Å; R823-L827 PolarHBondContact O-N 3.25Å; K825-L827 PolarHBondContact O-N 3.44Å; L827-R831 WeakPolarHBondContact O-CB 3.12Å; L827-R831 VanDerWaalsContact O-CG 3.32Å; L827-R831 WeakPolarHBondContact O-CG 3.39Å; L827-R831 PolarHBondContact O-N 2.76Å |
| 828 | R | 91.1 | Very high | 91.7 | Very high | 202 Ų | 202 | 108.9 Ų | 108.9 | 76% | 0.762 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -48.3 | 172.6 | -175.7 | -178.1 | -72.2 | -177.7 | -4.7 | 110.9 | R824 K825 F826 R831 A832 | R824-R828 WeakPolarHBondContact O-CB 3.38Å; R824-R828 PolarHBondContact O-N 2.9Å; K825-R828 WeakPolarHBondContact O-CB 3.17Å; K825-R828 PolarHBondContact O-N 3.48Å; F826-R828 VanDerWaalsContact C-N 3.31Å; F826-R828 PolarHBondContact O-N 2.84Å; R828-R831 PolarHBondContact O-N 2.71Å; R828-A832 PolarHBondContact O-N 3.32Å; R828-A832 VanDerWaalsContact O-N 3.08Å |
| 829 | I | 91.1 | Very high | 91.4 | Very high | 109 Ų | 109 | 109.5 Ų | 109.5 | 56% | 0.559 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -51.2 | 175.7 | -63.4 | 168.1 | 0 | 0 | 0 | 110 | K825 F826 R831 A832 T833 | K825-I829 PolarHBondContact O-N 3.27Å; K825-I829 VanDerWaalsContact O-N 3.08Å; F826-I829 PolarHBondContact O-N 3.49Å; I829-R831 VanDerWaalsContact C-N 3.3Å; I829-R831 PolarHBondContact O-N 3.18Å; I829-A832 WeakPolarHBondContact O-CB 3.47Å; I829-A832 PolarHBondContact O-N 2.6Å; I829-T833 PolarHBondContact O-N 3.05Å; I829-T833 PolarHBondContact O-OG1 3.31Å; I829-T833 VanDerWaalsContact O-OG1 3.12Å |
| 830 | R | 92.6 | Very high | 91.1 | Very high | 147 Ų | 147 | 107.3 Ų | 107.3 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.3 | -41 | 179.8 | -159.4 | -170.6 | 89.8 | 172.7 | 7.6 | 112.3 | F826 V834 | F826-R830 WeakPolarHBondContact O-CB 3.47Å; F826-R830 PolarHBondContact O-N 3.05Å; R830-V834 HydrophobicContact CG-CG2 4.45Å; R830-V834 VanDerWaalsContact O-CB 3.29Å; R830-V834 WeakPolarHBondContact O-CB 3.11Å; R830-V834 WeakPolarHBondContact O-CG2 3.45Å; R830-V834 PolarHBondContact O-N 3.42Å |
| 831 | R | 91.8 | Very high | 90.9 | Very high | 191 Ų | 191 | 112.7 Ų | 112.7 | 72% | 0.721 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -48.1 | 174.7 | -79.7 | 178.4 | 177.4 | -172.2 | -0.8 | 111.3 | L827 R828 I829 V834 T835 | L827-R831 WeakPolarHBondContact O-CB 3.12Å; L827-R831 VanDerWaalsContact O-CG 3.32Å; L827-R831 WeakPolarHBondContact O-CG 3.39Å; L827-R831 PolarHBondContact O-N 2.76Å; R828-R831 PolarHBondContact O-N 2.71Å; I829-R831 VanDerWaalsContact C-N 3.3Å; I829-R831 PolarHBondContact O-N 3.18Å; R831-V834 PolarHBondContact O-N 2.97Å; R831-T835 PolarHBondContact O-N 3.13Å; R831-T835 PolarHBondContact O-OG1 2.86Å; R831-T835 VanDerWaalsContact O-OG1 3.1Å |
| 832 | A | 90.5 | Very high | 90.6 | Very high | 50 Ų | 50 | 110.1 Ų | 110.1 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | R828 I829 V834 T835 I836 | R828-A832 PolarHBondContact O-N 3.32Å; R828-A832 VanDerWaalsContact O-N 3.08Å; I829-A832 WeakPolarHBondContact O-CB 3.47Å; I829-A832 PolarHBondContact O-N 2.6Å; A832-V834 VanDerWaalsContact C-N 3.34Å; A832-V834 PolarHBondContact O-N 3.49Å; A832-T835 PolarHBondContact O-N 3.39Å; A832-I836 VanDerWaalsContact O-CG1 3.28Å; A832-I836 WeakPolarHBondContact O-CG1 3.5Å; A832-I836 PolarHBondContact O-N 3.39Å |
| 833 | T | 90.9 | Very high | 90.4 | Very high | 83 Ų | 83 | 111.4 Ų | 111.4 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 177.4 | -47.3 | 0 | 0 | 0 | 0 | 112.1 | I829 I836 Q837 | I829-T833 PolarHBondContact O-N 3.05Å; I829-T833 PolarHBondContact O-OG1 3.31Å; I829-T833 VanDerWaalsContact O-OG1 3.12Å; T833-I836 PolarHBondContact O-N 2.92Å; T833-Q837 WeakPolarHBondContact O-CG 3.18Å; T833-Q837 PolarHBondContact O-N 2.86Å |
| 834 | V | 92.2 | Very high | 90.2 | Very high | 69 Ų | 69 | 110 Ų | 110 | 42% | 0.418 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 178.1 | 167.9 | 0 | 0 | 0 | 0 | 111.9 | R830 R831 A832 Q837 A838 | R830-V834 HydrophobicContact CG-CG2 4.45Å; R830-V834 VanDerWaalsContact O-CB 3.29Å; R830-V834 WeakPolarHBondContact O-CB 3.11Å; R830-V834 WeakPolarHBondContact O-CG2 3.45Å; R830-V834 PolarHBondContact O-N 3.42Å; R831-V834 PolarHBondContact O-N 2.97Å; A832-V834 VanDerWaalsContact C-N 3.34Å; A832-V834 PolarHBondContact O-N 3.49Å; V834-Q837 VanDerWaalsContact O-CG 3.23Å; V834-Q837 WeakPolarHBondContact O-CG 3.46Å; V834-A838 WeakPolarHBondContact O-CB 3.39Å; V834-A838 PolarHBondContact O-N 3.3Å |
| 835 | T | 89.6 | Confident | 89.9 | Confident | 78 Ų | 78 | 105.7 Ų | 105.7 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 174.4 | -58 | 0 | 0 | 0 | 0 | 111.4 | R831 A832 A838 Y839 | R831-T835 PolarHBondContact O-N 3.13Å; R831-T835 PolarHBondContact O-OG1 2.86Å; R831-T835 VanDerWaalsContact O-OG1 3.1Å; A832-T835 PolarHBondContact O-N 3.39Å; T835-A838 PolarHBondContact O-N 3.1Å; T835-Y839 HydrophobicContact CG2-CD2 3.98Å; T835-Y839 HydrophobicContact CG2-CE2 4.11Å; T835-Y839 PolarHBondContact O-N 3.14Å |
| 836 | I | 89.4 | Confident | 89.6 | Confident | 117 Ų | 117 | 108.1 Ų | 108.1 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -47.2 | -179.7 | -68.7 | 163.7 | 0 | 0 | 0 | 111.1 | A832 T833 A838 Y839 A840 | A832-I836 VanDerWaalsContact O-CG1 3.28Å; A832-I836 WeakPolarHBondContact O-CG1 3.5Å; A832-I836 PolarHBondContact O-N 3.39Å; T833-I836 PolarHBondContact O-N 2.92Å; I836-A838 VanDerWaalsContact C-N 3.28Å; I836-A838 PolarHBondContact O-N 2.68Å; I836-Y839 PolarHBondContact O-N 3.36Å; I836-A840 WeakPolarHBondContact O-CB 3.43Å; I836-A840 PolarHBondContact O-N 3.15Å |
| 837 | Q | 89.1 | Confident | 89.3 | Confident | 77 Ų | 77 | 110.6 Ų | 110.6 | 36% | 0.36 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -31.7 | 177.6 | 69.6 | 174 | -12.2 | 0 | 0 | 112.7 | T833 V834 R841 | T833-Q837 WeakPolarHBondContact O-CG 3.18Å; T833-Q837 PolarHBondContact O-N 2.86Å; V834-Q837 VanDerWaalsContact O-CG 3.23Å; V834-Q837 WeakPolarHBondContact O-CG 3.46Å; Q837-R841 WeakPolarHBondContact O-CB 3.48Å; Q837-R841 WeakPolarHBondContact O-CG 3.35Å; Q837-R841 PolarHBondContact O-N 3.41Å |
| 838 | A | 87.8 | Confident | 89 | Confident | 59 Ų | 59 | 113.5 Ų | 113.5 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.5 | -45.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | V834 T835 I836 G842 | V834-A838 WeakPolarHBondContact O-CB 3.39Å; V834-A838 PolarHBondContact O-N 3.3Å; T835-A838 PolarHBondContact O-N 3.1Å; I836-A838 VanDerWaalsContact C-N 3.28Å; I836-A838 PolarHBondContact O-N 2.68Å; A838-G842 PolarHBondContact O-N 3.38Å |
| 839 | Y | 88.3 | Confident | 88.7 | Confident | 172 Ų | 172 | 110.1 Ų | 110.1 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -43.2 | 172.8 | -92.9 | -94.5 | 0 | 0 | 0 | 112.3 | T835 I836 G842 M843 | T835-Y839 HydrophobicContact CG2-CD2 3.98Å; T835-Y839 HydrophobicContact CG2-CE2 4.11Å; T835-Y839 PolarHBondContact O-N 3.14Å; I836-Y839 PolarHBondContact O-N 3.36Å; Y839-G842 PolarHBondContact O-N 3.14Å; Y839-M843 WeakPolarHBondContact O-CB 2.85Å; Y839-M843 PolarHBondContact O-N 3.01Å |
| 840 | A | 87.2 | Confident | 88.2 | Confident | 37 Ų | 37 | 113.5 Ų | 113.5 | 31% | 0.306 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.9 | -49.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I836 G842 M843 F844 | I836-A840 WeakPolarHBondContact O-CB 3.43Å; I836-A840 PolarHBondContact O-N 3.15Å; A840-G842 VanDerWaalsContact C-N 3.34Å; A840-G842 PolarHBondContact O-N 3.36Å; A840-M843 WeakPolarHBondContact O-CB 3.48Å; A840-M843 PolarHBondContact O-N 3.19Å; A840-F844 WeakPolarHBondContact O-CD2 3.5Å; A840-F844 PolarHBondContact O-N 3.12Å |
| 841 | R | 89.1 | Confident | 87.9 | Confident | 165 Ų | 165 | 112.1 Ų | 112.1 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -56.8 | -47.7 | 175.3 | -71 | 170.8 | -166.9 | -168.1 | 4.9 | 111 | Q837 M843 F844 T845 | Q837-R841 WeakPolarHBondContact O-CB 3.48Å; Q837-R841 WeakPolarHBondContact O-CG 3.35Å; Q837-R841 PolarHBondContact O-N 3.41Å; R841-M843 VanDerWaalsContact C-N 3.27Å; R841-M843 PolarHBondContact O-N 2.82Å; R841-F844 PolarHBondContact O-N 2.79Å; R841-T845 PolarHBondContact O-N 3.43Å; R841-T845 PolarHBondContact O-OG1 3.45Å |
| 842 | G | 87.1 | Confident | 87.5 | Confident | 25 Ų | 25 | 109.6 Ų | 109.6 | 26% | 0.258 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -27.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | A838 Y839 A840 R846 | A838-G842 PolarHBondContact O-N 3.38Å; Y839-G842 PolarHBondContact O-N 3.14Å; A840-G842 VanDerWaalsContact C-N 3.34Å; A840-G842 PolarHBondContact O-N 3.36Å; G842-R846 WeakPolarHBondContact O-CB 3.15Å; G842-R846 WeakPolarHBondContact O-CG 3.38Å; G842-R846 PolarHBondContact O-N 2.96Å; G842-R846 PolarHBondContact O-NE 3.33Å |
| 843 | M | 89.5 | Confident | 87.1 | Confident | 124 Ų | 124 | 110 Ų | 110 | 61% | 0.611 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.2 | -49.9 | 171.7 | -171.8 | -161.1 | -63.3 | 0 | 0 | 111 | Y839 A840 R841 T845 R846 R847 | Y839-M843 WeakPolarHBondContact O-CB 2.85Å; Y839-M843 PolarHBondContact O-N 3.01Å; A840-M843 WeakPolarHBondContact O-CB 3.48Å; A840-M843 PolarHBondContact O-N 3.19Å; R841-M843 VanDerWaalsContact C-N 3.27Å; R841-M843 PolarHBondContact O-N 2.82Å; M843-T845 PolarHBondContact O-N 3.15Å; M843-R846 PolarHBondContact O-N 2.9Å; M843-R847 PolarHBondContact O-N 2.8Å |
| 844 | F | 87.9 | Confident | 86.8 | Confident | 132 Ų | 132 | 112 Ų | 112 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.1 | -46.8 | 179.8 | -75.7 | -68.1 | 0 | 0 | 0 | 112.4 | A840 R841 R846 R847 I848 | A840-F844 WeakPolarHBondContact O-CD2 3.5Å; A840-F844 PolarHBondContact O-N 3.12Å; R841-F844 PolarHBondContact O-N 2.79Å; F844-R846 VanDerWaalsContact C-N 3.31Å; F844-R846 PolarHBondContact O-N 3.26Å; F844-R847 WeakPolarHBondContact O-CB 3.37Å; F844-R847 PolarHBondContact O-N 3.13Å; F844-R847 VanDerWaalsContact O-N 3.14Å; F844-I848 WeakPolarHBondContact O-CG1 3.37Å; F844-I848 PolarHBondContact O-N 2.73Å |
| 845 | T | 85.5 | Confident | 86.3 | Confident | 98 Ų | 98 | 114.7 Ų | 114.7 | 60% | 0.601 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.2 | -40.2 | 177.3 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | R841 M843 I848 F849 | R841-T845 PolarHBondContact O-N 3.43Å; R841-T845 PolarHBondContact O-OG1 3.45Å; M843-T845 PolarHBondContact O-N 3.15Å; T845-I848 PolarHBondContact O-N 2.79Å; T845-F849 WeakPolarHBondContact O-CB 3.44Å; T845-F849 PolarHBondContact O-N 2.99Å |
| 846 | R | 85.4 | Confident | 85.8 | Confident | 152 Ų | 152 | 114.6 Ų | 114.6 | 57% | 0.574 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.7 | -36 | 176 | -78.4 | 178.1 | -71.7 | -166.7 | -0.7 | 112.5 | G842 M843 F844 F849 W850 | G842-R846 WeakPolarHBondContact O-CB 3.15Å; G842-R846 WeakPolarHBondContact O-CG 3.38Å; G842-R846 PolarHBondContact O-N 2.96Å; G842-R846 PolarHBondContact O-NE 3.33Å; M843-R846 PolarHBondContact O-N 2.9Å; F844-R846 VanDerWaalsContact C-N 3.31Å; F844-R846 PolarHBondContact O-N 3.26Å; R846-F849 PolarHBondContact O-N 2.81Å; R846-W850 VanDerWaalsContact O-CD1 3.32Å; R846-W850 PolarHBondContact O-N 2.91Å |
| 847 | R | 86.4 | Confident | 85.6 | Confident | 183 Ų | 183 | 114.1 Ų | 114.1 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.5 | -47.4 | 175.3 | -174.7 | 175.1 | 176.8 | 166.9 | -0.3 | 111.7 | M843 F844 F849 W850 E851 | M843-R847 PolarHBondContact O-N 2.8Å; F844-R847 WeakPolarHBondContact O-CB 3.37Å; F844-R847 PolarHBondContact O-N 3.13Å; F844-R847 VanDerWaalsContact O-N 3.14Å; R847-F849 VanDerWaalsContact C-N 3.32Å; R847-F849 PolarHBondContact O-N 3.06Å; R847-W850 PolarHBondContact O-N 3.47Å; R847-E851 PolarHBondContact O-N 3.25Å; R847-E851 VanDerWaalsContact O-N 3.15Å |
| 848 | I | 86.4 | Confident | 85.3 | Confident | 114 Ų | 114 | 112.4 Ų | 112.4 | 59% | 0.585 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -41.5 | 176.8 | -63.7 | 165.1 | 0 | 0 | 0 | 110.9 | F844 T845 W850 E851 F852 | F844-I848 WeakPolarHBondContact O-CG1 3.37Å; F844-I848 PolarHBondContact O-N 2.73Å; T845-I848 PolarHBondContact O-N 2.79Å; I848-W850 PolarHBondContact O-N 3.27Å; I848-E851 PolarHBondContact O-N 3.23Å; I848-F852 PolarHBondContact O-N 3.47Å |
| 849 | F | 84 | Confident | 84.9 | Confident | 131 Ų | 131 | 115.1 Ų | 115.1 | 58% | 0.575 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 175.8 | 177.9 | -99.7 | 0 | 0 | 0 | 112.9 | T845 R846 R847 E851 F852 M853 | T845-F849 WeakPolarHBondContact O-CB 3.44Å; T845-F849 PolarHBondContact O-N 2.99Å; R846-F849 PolarHBondContact O-N 2.81Å; R847-F849 VanDerWaalsContact C-N 3.32Å; R847-F849 PolarHBondContact O-N 3.06Å; F849-E851 PolarHBondContact O-N 2.9Å; F849-F852 PolarHBondContact O-N 3.14Å; F849-M853 HydrophobicContact CE1-CG 3.9Å; F849-M853 HydrophobicContact CZ-CG 3.92Å; F849-M853 WeakPolarHBondContact O-CB 3.39Å; F849-M853 PolarHBondContact O-N 3.45Å |
| 850 | W | 82 | Confident | 84.5 | Confident | 179 Ų | 179 | 109.9 Ų | 109.9 | 68% | 0.678 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -41 | 176.1 | -95.7 | 103.5 | 0 | 0 | 0 | 112.8 | R846 R847 I848 M853 L854 | R846-W850 VanDerWaalsContact O-CD1 3.32Å; R846-W850 PolarHBondContact O-N 2.91Å; R847-W850 PolarHBondContact O-N 3.47Å; I848-W850 PolarHBondContact O-N 3.27Å; W850-M853 WeakPolarHBondContact O-CB 3.31Å; W850-M853 PolarHBondContact O-N 3.35Å; W850-L854 PolarHBondContact O-N 3.19Å |
| 851 | E | 85.1 | Confident | 84.2 | Confident | 118 Ų | 118 | 113.5 Ų | 113.5 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65 | -46.5 | 177.2 | -170.3 | 163.1 | -150.6 | 0 | 0 | 111.5 | R847 I848 F849 M853 L854 H855 | R847-E851 PolarHBondContact O-N 3.25Å; R847-E851 VanDerWaalsContact O-N 3.15Å; I848-E851 PolarHBondContact O-N 3.23Å; F849-E851 PolarHBondContact O-N 2.9Å; E851-M853 VanDerWaalsContact C-N 3.33Å; E851-M853 PolarHBondContact O-N 3.15Å; E851-L854 WeakPolarHBondContact O-CB 3.36Å; E851-L854 PolarHBondContact O-N 3.13Å; E851-L854 VanDerWaalsContact O-N 3.15Å; E851-H855 PolarHBondContact O-CD2 3.08Å; E851-H855 PolarHBondContact O-N 3.31Å |
| 852 | F | 83.4 | Confident | 83.7 | Confident | 139 Ų | 139 | 110.4 Ų | 110.4 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.3 | -41.8 | 172 | -177.2 | -94.2 | 0 | 0 | 0 | 112.6 | I848 F849 L854 H855 H856 | I848-F852 PolarHBondContact O-N 3.47Å; F849-F852 PolarHBondContact O-N 3.14Å; F852-L854 VanDerWaalsContact C-N 3.32Å; F852-L854 PolarHBondContact O-N 2.92Å; F852-H855 PolarHBondContact O-N 3.4Å; F852-H856 WeakPolarHBondContact O-CB 3.5Å; F852-H856 PolarHBondContact O-N 3.45Å |
| 853 | M | 82.8 | Confident | 83.6 | Confident | 59 Ų | 59 | 116.2 Ų | 116.2 | 29% | 0.291 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 174.4 | -108 | -77.6 | -76.8 | 0 | 0 | 112 | F849 W850 E851 H856 K857 | F849-M853 HydrophobicContact CE1-CG 3.9Å; F849-M853 HydrophobicContact CZ-CG 3.92Å; F849-M853 WeakPolarHBondContact O-CB 3.39Å; F849-M853 PolarHBondContact O-N 3.45Å; W850-M853 WeakPolarHBondContact O-CB 3.31Å; W850-M853 PolarHBondContact O-N 3.35Å; E851-M853 VanDerWaalsContact C-N 3.33Å; E851-M853 PolarHBondContact O-N 3.15Å; M853-H856 PolarHBondContact O-N 3.14Å; M853-K857 HydrophobicContact CE-CG 4.45Å; M853-K857 WeakPolarHBondContact O-CG 3.3Å; M853-K857 PolarHBondContact O-N 3.02Å; M853-K857 HydrophobicContact SD-CG 4.39Å |
| 854 | L | 83.9 | Confident | 83 | Confident | 125 Ų | 125 | 116.2 Ų | 116.2 | 65% | 0.654 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.6 | -49.5 | 178.2 | -156.1 | 81.5 | 0 | 0 | 0 | 111.2 | W850 E851 F852 H856 K857 A858 | W850-L854 PolarHBondContact O-N 3.19Å; E851-L854 WeakPolarHBondContact O-CB 3.36Å; E851-L854 PolarHBondContact O-N 3.13Å; E851-L854 VanDerWaalsContact O-N 3.15Å; F852-L854 VanDerWaalsContact C-N 3.32Å; F852-L854 PolarHBondContact O-N 2.92Å; L854-H856 PolarHBondContact O-N 2.76Å; L854-K857 PolarHBondContact O-N 3.21Å; L854-A858 PolarHBondContact O-N 3.19Å |
| 855 | H | 81.4 | Confident | 82.8 | Confident | 124 Ų | 124 | 113.6 Ų | 113.6 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.5 | -41.1 | 176.1 | -70.5 | -68.7 | 0 | 0 | 0 | 112.6 | E851 F852 A858 M859 | E851-H855 PolarHBondContact O-CD2 3.08Å; E851-H855 PolarHBondContact O-N 3.31Å; F852-H855 PolarHBondContact O-N 3.4Å; H855-A858 PolarHBondContact O-N 2.99Å; H855-M859 PolarHBondContact O-N 3.3Å |
| 856 | H | 80.8 | Confident | 82.7 | Confident | 76 Ų | 76 | 117.1 Ų | 117.1 | 35% | 0.352 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 177.3 | -176.6 | 89.9 | 0 | 0 | 0 | 112.2 | F852 M853 L854 M859 L860 | F852-H856 WeakPolarHBondContact O-CB 3.5Å; F852-H856 PolarHBondContact O-N 3.45Å; M853-H856 PolarHBondContact O-N 3.14Å; L854-H856 PolarHBondContact O-N 2.76Å; H856-M859 PolarHBondContact O-N 2.88Å; H856-L860 PolarHBondContact O-N 3.48Å; H856-L860 VanDerWaalsContact O-N 3.09Å |
| 857 | K | 84.1 | Confident | 82.4 | Confident | 108 Ų | 108 | 111 Ų | 111 | 47% | 0.47 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 175.6 | -64.1 | -60.9 | 179.2 | -175.4 | 0 | 111.7 | M853 L854 L860 I861 | M853-K857 HydrophobicContact CE-CG 4.45Å; M853-K857 WeakPolarHBondContact O-CG 3.3Å; M853-K857 PolarHBondContact O-N 3.02Å; M853-K857 HydrophobicContact SD-CG 4.39Å; L854-K857 PolarHBondContact O-N 3.21Å; K857-L860 HydrophobicContact CD-CD1 4.3Å; K857-L860 PolarHBondContact O-N 3.23Å; K857-I861 WeakPolarHBondContact O-CG1 3.42Å; K857-I861 PolarHBondContact O-N 3.16Å; K857-I861 VanDerWaalsContact O-N 3.13Å |
| 858 | A | 82.3 | Confident | 82.3 | Confident | 41 Ų | 41 | 109 Ų | 109 | 34% | 0.339 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -45 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L854 H855 L860 I861 Q862 | L854-A858 PolarHBondContact O-N 3.19Å; H855-A858 PolarHBondContact O-N 2.99Å; A858-L860 VanDerWaalsContact C-N 3.34Å; A858-L860 PolarHBondContact O-N 3.37Å; A858-I861 PolarHBondContact O-N 2.86Å; A858-Q862 WeakPolarHBondContact O-CG 3.32Å; A858-Q862 PolarHBondContact O-N 3.28Å |
| 859 | M | 79.8 | Confident | 82.1 | Confident | 116 Ų | 116 | 107.8 Ų | 107.8 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.9 | -39.5 | 175.1 | -74.8 | -162.6 | -70.4 | 0 | 0 | 112.9 | H855 H856 I861 Q862 K863 | H855-M859 PolarHBondContact O-N 3.3Å; H856-M859 PolarHBondContact O-N 2.88Å; M859-I861 VanDerWaalsContact C-N 3.34Å; M859-I861 PolarHBondContact O-N 3.2Å; M859-Q862 PolarHBondContact O-N 3.46Å; M859-K863 WeakPolarHBondContact O-CB 3.46Å; M859-K863 PolarHBondContact O-N 3.32Å |
| 860 | L | 79.4 | Confident | 82.1 | Confident | 62 Ų | 62 | 107.4 Ų | 107.4 | 33% | 0.325 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 176.4 | -73.6 | 174.4 | 0 | 0 | 0 | 112.3 | H856 K857 A858 H864 | H856-L860 PolarHBondContact O-N 3.48Å; H856-L860 VanDerWaalsContact O-N 3.09Å; K857-L860 HydrophobicContact CD-CD1 4.3Å; K857-L860 PolarHBondContact O-N 3.23Å; A858-L860 VanDerWaalsContact C-N 3.34Å; A858-L860 PolarHBondContact O-N 3.37Å; L860-H864 PolarHBondContact O-N 3.06Å; L860-H864 PolarHBondContact O-ND1 3.44Å |
| 861 | I | 81.2 | Confident | 81.9 | Confident | 113 Ų | 113 | 105.4 Ų | 105.4 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.7 | -48.4 | 175.1 | -65.1 | 165.1 | 0 | 0 | 0 | 110.1 | K857 A858 M859 K863 H864 V865 | K857-I861 WeakPolarHBondContact O-CG1 3.42Å; K857-I861 PolarHBondContact O-N 3.16Å; K857-I861 VanDerWaalsContact O-N 3.13Å; A858-I861 PolarHBondContact O-N 2.86Å; M859-I861 VanDerWaalsContact C-N 3.34Å; M859-I861 PolarHBondContact O-N 3.2Å; I861-K863 VanDerWaalsContact C-N 3.31Å; I861-K863 PolarHBondContact O-N 2.98Å; I861-H864 PolarHBondContact O-N 3.19Å; I861-H864 VanDerWaalsContact O-N 3.09Å; I861-V865 HydrophobicContact CG2-CG2 4.46Å; I861-V865 WeakPolarHBondContact O-CG2 3.21Å; I861-V865 PolarHBondContact O-N 2.87Å |
| 862 | Q | 79.4 | Confident | 81.8 | Confident | 99 Ų | 99 | 105 Ų | 105 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.6 | -41.2 | 177.6 | -68.9 | 173.9 | 5.3 | 0 | 0 | 112.4 | A858 M859 H864 V865 R866 | A858-Q862 WeakPolarHBondContact O-CG 3.32Å; A858-Q862 PolarHBondContact O-N 3.28Å; M859-Q862 PolarHBondContact O-N 3.46Å; Q862-H864 PolarHBondContact O-N 3.46Å; Q862-V865 PolarHBondContact O-N 3.27Å; Q862-R866 WeakPolarHBondContact O-CB 3.28Å; Q862-R866 VanDerWaalsContact O-CG 3.29Å; Q862-R866 WeakPolarHBondContact O-CG 3.45Å; Q862-R866 PolarHBondContact O-N 2.75Å |
| 863 | K | 84.3 | Confident | 81.7 | Confident | 148 Ų | 148 | 105.6 Ų | 105.6 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57 | -46.6 | 173.8 | 176.8 | 179.7 | 176.4 | 179.8 | 0 | 111.9 | M859 I861 G867 | M859-K863 WeakPolarHBondContact O-CB 3.46Å; M859-K863 PolarHBondContact O-N 3.32Å; I861-K863 VanDerWaalsContact C-N 3.31Å; I861-K863 PolarHBondContact O-N 2.98Å; K863-G867 PolarHBondContact O-N 2.76Å; K863-G867 VanDerWaalsContact O-N 3.13Å |
| 864 | H | 77.3 | Confident | 81.6 | Confident | 123 Ų | 123 | 109.5 Ų | 109.5 | 57% | 0.569 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69 | -41.1 | -178.7 | -76.1 | 86.6 | 0 | 0 | 0 | 112.8 | L860 I861 Q862 G867 W868 | L860-H864 PolarHBondContact O-N 3.06Å; L860-H864 PolarHBondContact O-ND1 3.44Å; I861-H864 PolarHBondContact O-N 3.19Å; I861-H864 VanDerWaalsContact O-N 3.09Å; Q862-H864 PolarHBondContact O-N 3.46Å; H864-G867 PolarHBondContact O-N 2.96Å; H864-W868 PolarHBondContact O-N 3.06Å |
| 865 | V | 83.5 | Confident | 81.3 | Confident | 77 Ų | 77 | 110.9 Ų | 110.9 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | I861 Q862 G867 W868 L869 | I861-V865 HydrophobicContact CG2-CG2 4.46Å; I861-V865 WeakPolarHBondContact O-CG2 3.21Å; I861-V865 PolarHBondContact O-N 2.87Å; Q862-V865 PolarHBondContact O-N 3.27Å; V865-G867 VanDerWaalsContact C-N 3.3Å; V865-G867 PolarHBondContact O-N 2.74Å; V865-W868 PolarHBondContact O-N 2.86Å; V865-W868 VanDerWaalsContact O-N 3.15Å; V865-L869 HydrophobicContact CG1-CD1 4.44Å; V865-L869 PolarHBondContact O-N 2.99Å |
| 866 | R | 84.8 | Confident | 81.3 | Confident | 173 Ų | 173 | 114.1 Ų | 114.1 | 65% | 0.653 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.9 | -41.8 | 174.7 | -72.1 | 172.6 | -179.6 | 176.4 | 2.3 | 111.8 | Q862 L869 Q870 | Q862-R866 WeakPolarHBondContact O-CB 3.28Å; Q862-R866 VanDerWaalsContact O-CG 3.29Å; Q862-R866 WeakPolarHBondContact O-CG 3.45Å; Q862-R866 PolarHBondContact O-N 2.75Å; R866-L869 PolarHBondContact O-N 2.65Å; R866-Q870 PolarHBondContact O-N 3.4Å |
| 867 | G | 78.5 | Confident | 81.2 | Confident | 24 Ų | 24 | 113.6 Ų | 113.6 | 25% | 0.247 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | K863 H864 V865 R871 | K863-G867 PolarHBondContact O-N 2.76Å; K863-G867 VanDerWaalsContact O-N 3.13Å; H864-G867 PolarHBondContact O-N 2.96Å; V865-G867 VanDerWaalsContact C-N 3.3Å; V865-G867 PolarHBondContact O-N 2.74Å; G867-R871 PolarHBondContact O-N 3.18Å; G867-R871 PolarHBondContact O-NE 2.98Å |
| 868 | W | 83.1 | Confident | 81.1 | Confident | 139 Ų | 139 | 114.5 Ų | 114.5 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 175 | 174.8 | 88.5 | 0 | 0 | 0 | 112.2 | H864 V865 Q870 R871 K872 | H864-W868 PolarHBondContact O-N 3.06Å; V865-W868 PolarHBondContact O-N 2.86Å; V865-W868 VanDerWaalsContact O-N 3.15Å; W868-Q870 VanDerWaalsContact C-N 3.34Å; W868-Q870 PolarHBondContact O-N 3.35Å; W868-R871 PolarHBondContact O-N 3.18Å; W868-K872 HydrophobicContact CH2-CD 3.92Å; W868-K872 HydrophobicContact CZ2-CD 4.12Å; W868-K872 HydrophobicContact CZ3-CD 4.31Å; W868-K872 PolarHBondContact O-N 3.03Å |
| 869 | L | 83.8 | Confident | 80.9 | Confident | 90 Ų | 90 | 115.5 Ų | 115.5 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 177.7 | -72.9 | 170 | 0 | 0 | 0 | 112.4 | V865 R866 K872 K873 | V865-L869 HydrophobicContact CG1-CD1 4.44Å; V865-L869 PolarHBondContact O-N 2.99Å; R866-L869 PolarHBondContact O-N 2.65Å; L869-K872 WeakPolarHBondContact O-CB 3.3Å; L869-K872 PolarHBondContact O-N 2.74Å; L869-K873 PolarHBondContact O-N 2.81Å |
| 870 | Q | 82.9 | Confident | 80.7 | Confident | 123 Ų | 123 | 112.3 Ų | 112.3 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.9 | -39.8 | 177.1 | -68.9 | -68.5 | 21.8 | 0 | 0 | 112.5 | R866 W868 K872 K873 F874 | R866-Q870 PolarHBondContact O-N 3.4Å; W868-Q870 VanDerWaalsContact C-N 3.34Å; W868-Q870 PolarHBondContact O-N 3.35Å; Q870-K872 PolarHBondContact O-N 3.04Å; Q870-K873 PolarHBondContact O-N 3.03Å; Q870-F874 PolarHBondContact O-N 3.1Å |
| 871 | R | 78.1 | Confident | 80.6 | Confident | 137 Ų | 137 | 111.2 Ų | 111.2 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -34.8 | 172 | -73.4 | -175.9 | -72.2 | -99.7 | 3.4 | 112.3 | G867 W868 R875 | G867-R871 PolarHBondContact O-N 3.18Å; G867-R871 PolarHBondContact O-NE 2.98Å; W868-R871 PolarHBondContact O-N 3.18Å; R871-R875 WeakPolarHBondContact O-CG 3.31Å; R871-R875 PolarHBondContact O-N 3.48Å |
| 872 | K | 82.8 | Confident | 80.2 | Confident | 109 Ų | 109 | 109.4 Ų | 109.4 | 47% | 0.474 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 174.9 | -170.1 | 174.1 | -179.2 | 176.6 | 0 | 112.4 | W868 L869 Q870 R876 | W868-K872 HydrophobicContact CH2-CD 3.92Å; W868-K872 HydrophobicContact CZ2-CD 4.12Å; W868-K872 HydrophobicContact CZ3-CD 4.31Å; W868-K872 PolarHBondContact O-N 3.03Å; L869-K872 WeakPolarHBondContact O-CB 3.3Å; L869-K872 PolarHBondContact O-N 2.74Å; Q870-K872 PolarHBondContact O-N 3.04Å; K872-R876 PolarHBondContact O-N 3.37Å |
| 873 | K | 82.4 | Confident | 80.1 | Confident | 151 Ų | 151 | 110.3 Ų | 110.3 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -50.4 | 171.3 | -78.6 | -169 | 174.1 | -173.7 | 0 | 111.8 | L869 Q870 R875 R876 A877 | L869-K873 PolarHBondContact O-N 2.81Å; Q870-K873 PolarHBondContact O-N 3.03Å; K873-R875 PolarHBondContact O-N 2.88Å; K873-R876 PolarHBondContact O-N 2.98Å; K873-A877 PolarHBondContact O-N 2.84Å; K873-A877 VanDerWaalsContact O-N 3.14Å |
| 874 | F | 80.4 | Confident | 79.7 | Confident | 142 Ų | 142 | 108.9 Ų | 108.9 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.4 | -45.4 | -178.6 | 176 | -103 | 0 | 0 | 0 | 112.8 | Q870 R876 A877 R878 | Q870-F874 PolarHBondContact O-N 3.1Å; F874-R876 PolarHBondContact O-N 3.37Å; F874-A877 PolarHBondContact O-N 2.92Å; F874-R878 PolarHBondContact O-N 3.35Å |
| 875 | R | 78.2 | Confident | 79.6 | Confident | 154 Ų | 154 | 107.8 Ų | 107.8 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.7 | -49.6 | 176.4 | -73.3 | 177.3 | -173.2 | -175.2 | 1.2 | 111.8 | R871 K873 A877 R878 D879 | R871-R875 WeakPolarHBondContact O-CG 3.31Å; R871-R875 PolarHBondContact O-N 3.48Å; K873-R875 PolarHBondContact O-N 2.88Å; R875-A877 VanDerWaalsContact C-N 3.29Å; R875-A877 PolarHBondContact O-N 3.1Å; R875-R878 WeakPolarHBondContact O-CB 3.48Å; R875-R878 PolarHBondContact O-N 2.93Å; R875-R878 VanDerWaalsContact O-N 3.16Å; R875-D879 WeakPolarHBondContact O-CB 3.42Å; R875-D879 PolarHBondContact O-N 2.6Å; R875-D879 VanDerWaalsContact O-OD2 3.08Å |
| 876 | R | 80.7 | Confident | 79 | Confident | 192 Ų | 192 | 107.4 Ų | 107.4 | 73% | 0.725 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -54.5 | -42.4 | 176.2 | -85.5 | -173.4 | 165.8 | -171.4 | -5.3 | 112.9 | K872 K873 F874 A880 | K872-R876 PolarHBondContact O-N 3.37Å; K873-R876 PolarHBondContact O-N 2.98Å; F874-R876 PolarHBondContact O-N 3.37Å; R876-A880 WeakPolarHBondContact O-CB 3.48Å; R876-A880 PolarHBondContact O-N 3.04Å; R876-A880 VanDerWaalsContact O-N 3.1Å |
| 877 | A | 78.9 | Confident | 78.5 | Confident | 64 Ų | 64 | 102 Ų | 102 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K873 F874 R875 A881 | K873-A877 PolarHBondContact O-N 2.84Å; K873-A877 VanDerWaalsContact O-N 3.14Å; F874-A877 PolarHBondContact O-N 2.92Å; R875-A877 VanDerWaalsContact C-N 3.29Å; R875-A877 PolarHBondContact O-N 3.1Å; A877-A881 WeakPolarHBondContact O-CB 3.32Å; A877-A881 PolarHBondContact O-N 3.43Å |
| 878 | R | 82.5 | Confident | 78.3 | Confident | 128 Ų | 128 | 107 Ų | 107 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.1 | -176.9 | -160.7 | 70.2 | 163.1 | 1.7 | 111.7 | F874 R875 A881 I882 | F874-R878 PolarHBondContact O-N 3.35Å; R875-R878 WeakPolarHBondContact O-CB 3.48Å; R875-R878 PolarHBondContact O-N 2.93Å; R875-R878 VanDerWaalsContact O-N 3.16Å; R878-A881 WeakPolarHBondContact O-CB 3.39Å; R878-A881 PolarHBondContact O-N 2.87Å; R878-I882 HydrophobicContact CG-CD1 3.99Å; R878-I882 WeakPolarHBondContact O-CG1 3.44Å; R878-I882 PolarHBondContact O-N 3.06Å |
| 879 | D | 76.2 | Confident | 77.9 | Confident | 62 Ų | 62 | 107.9 Ų | 107.9 | 33% | 0.332 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | -173.2 | -58.4 | -21.2 | 0 | 0 | 0 | 110.7 | R875 I882 I883 | R875-D879 WeakPolarHBondContact O-CB 3.42Å; R875-D879 PolarHBondContact O-N 2.6Å; R875-D879 VanDerWaalsContact O-OD2 3.08Å; D879-I882 PolarHBondContact O-N 2.82Å; D879-I883 WeakPolarHBondContact O-CG1 3.46Å; D879-I883 PolarHBondContact O-N 3.35Å; D879-I883 VanDerWaalsContact O-N 3.12Å |
| 880 | A | 77.4 | Confident | 77.3 | Confident | 48 Ų | 48 | 113.2 Ų | 113.2 | 40% | 0.397 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R876 I882 I883 I884 | R876-A880 WeakPolarHBondContact O-CB 3.48Å; R876-A880 PolarHBondContact O-N 3.04Å; R876-A880 VanDerWaalsContact O-N 3.1Å; A880-I882 VanDerWaalsContact C-N 3.34Å; A880-I882 PolarHBondContact O-N 3.23Å; A880-I883 PolarHBondContact O-N 2.95Å; A880-I884 WeakPolarHBondContact O-CG1 3.49Å; A880-I884 PolarHBondContact O-N 3.34Å |
| 881 | A | 75.6 | Confident | 76.8 | Confident | 40 Ų | 40 | 111.8 Ų | 111.8 | 33% | 0.331 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A877 R878 I884 Q885 | A877-A881 WeakPolarHBondContact O-CB 3.32Å; A877-A881 PolarHBondContact O-N 3.43Å; R878-A881 WeakPolarHBondContact O-CB 3.39Å; R878-A881 PolarHBondContact O-N 2.87Å; A881-I884 PolarHBondContact O-N 3.33Å; A881-Q885 WeakPolarHBondContact O-CB 3.4Å; A881-Q885 VanDerWaalsContact O-CG 3.27Å; A881-Q885 WeakPolarHBondContact O-CG 3.41Å; A881-Q885 PolarHBondContact O-N 3.16Å |
| 882 | I | 73.6 | Confident | 76.6 | Confident | 74 Ų | 74 | 110.3 Ų | 110.3 | 38% | 0.379 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 175 | -69 | 165.4 | 0 | 0 | 0 | 110.9 | R878 D879 A880 I884 Q885 C886 | R878-I882 HydrophobicContact CG-CD1 3.99Å; R878-I882 WeakPolarHBondContact O-CG1 3.44Å; R878-I882 PolarHBondContact O-N 3.06Å; D879-I882 PolarHBondContact O-N 2.82Å; A880-I882 VanDerWaalsContact C-N 3.34Å; A880-I882 PolarHBondContact O-N 3.23Å; I882-I884 VanDerWaalsContact C-N 3.34Å; I882-I884 PolarHBondContact O-N 2.86Å; I882-Q885 PolarHBondContact O-N 3.39Å; I882-C886 WeakPolarHBondContact O-CB 3.49Å; I882-C886 PolarHBondContact O-N 3.21Å; I882-C886 PolarHBondContact O-SG 3.13Å |
| 883 | I | 77.1 | Confident | 75.6 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 61% | 0.61 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.9 | -44.7 | 176.6 | -69.3 | 165.7 | 0 | 0 | 0 | 111 | D879 A880 C886 A887 | D879-I883 WeakPolarHBondContact O-CG1 3.46Å; D879-I883 PolarHBondContact O-N 3.35Å; D879-I883 VanDerWaalsContact O-N 3.12Å; A880-I883 PolarHBondContact O-N 2.95Å; I883-C886 PolarHBondContact O-N 2.89Å; I883-A887 PolarHBondContact O-N 3.44Å |
| 884 | I | 76.7 | Confident | 74.7 | Confident | 118 Ų | 118 | 108.1 Ų | 108.1 | 61% | 0.605 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -46 | 177.3 | -66.8 | 164.2 | 0 | 0 | 0 | 111 | A880 A881 I882 C886 A887 F888 | A880-I884 WeakPolarHBondContact O-CG1 3.49Å; A880-I884 PolarHBondContact O-N 3.34Å; A881-I884 PolarHBondContact O-N 3.33Å; I882-I884 VanDerWaalsContact C-N 3.34Å; I882-I884 PolarHBondContact O-N 2.86Å; I884-C886 PolarHBondContact O-N 3Å; I884-A887 PolarHBondContact O-N 3.28Å; I884-F888 WeakPolarHBondContact O-CB 3.24Å; I884-F888 PolarHBondContact O-N 3.42Å |
| 885 | Q | 73.7 | Confident | 74.1 | Confident | 100 Ų | 100 | 109.8 Ų | 109.8 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 176.8 | -73.7 | 172.6 | -1.8 | 0 | 0 | 112.3 | A881 I882 F888 R889 | A881-Q885 WeakPolarHBondContact O-CB 3.4Å; A881-Q885 VanDerWaalsContact O-CG 3.27Å; A881-Q885 WeakPolarHBondContact O-CG 3.41Å; A881-Q885 PolarHBondContact O-N 3.16Å; I882-Q885 PolarHBondContact O-N 3.39Å; Q885-F888 PolarHBondContact O-N 3.48Å; Q885-R889 WeakPolarHBondContact O-CG 3.44Å; Q885-R889 PolarHBondContact O-N 3Å |
| 886 | C | 71.5 | Confident | 73.3 | Confident | 68 Ų | 68 | 108 Ų | 108 | 46% | 0.459 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 176.4 | -72 | 0 | 0 | 0 | 0 | 112.1 | I882 I883 I884 R890 | I882-C886 WeakPolarHBondContact O-CB 3.49Å; I882-C886 PolarHBondContact O-N 3.21Å; I882-C886 PolarHBondContact O-SG 3.13Å; I883-C886 PolarHBondContact O-N 2.89Å; I884-C886 PolarHBondContact O-N 3Å; C886-R890 WeakPolarHBondContact O-CB 3.08Å; C886-R890 PolarHBondContact O-N 3.38Å |
| 887 | A | 73.8 | Confident | 72.1 | Confident | 61 Ų | 61 | 104 Ų | 104 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | I883 I884 R890 M891 | I883-A887 PolarHBondContact O-N 3.44Å; I884-A887 PolarHBondContact O-N 3.28Å; A887-R890 PolarHBondContact O-N 2.85Å; A887-M891 PolarHBondContact O-N 3.06Å |
| 888 | F | 75.5 | Confident | 71 | Confident | 127 Ų | 127 | 108.7 Ų | 108.7 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.5 | -48.4 | 177.9 | -171.1 | -91.8 | 0 | 0 | 0 | 112.4 | I884 Q885 R890 M891 Q892 | I884-F888 WeakPolarHBondContact O-CB 3.24Å; I884-F888 PolarHBondContact O-N 3.42Å; Q885-F888 PolarHBondContact O-N 3.48Å; F888-R890 VanDerWaalsContact C-N 3.28Å; F888-R890 PolarHBondContact O-N 3.34Å; F888-M891 WeakPolarHBondContact O-CB 3.36Å; F888-M891 PolarHBondContact O-N 3.37Å; F888-Q892 PolarHBondContact O-N 2.89Å |
| 889 | R | 74.4 | Confident | 69.8 | Low | 159 Ų | 159 | 108.4 Ų | 108.4 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.1 | -40.8 | 174.8 | -72.5 | 170.5 | 177.9 | 166.1 | -0.2 | 111.9 | Q885 M891 Q892 A893 | Q885-R889 WeakPolarHBondContact O-CG 3.44Å; Q885-R889 PolarHBondContact O-N 3Å; R889-M891 VanDerWaalsContact C-N 3.33Å; R889-M891 PolarHBondContact O-N 3.47Å; R889-Q892 PolarHBondContact O-N 3.28Å; R889-A893 PolarHBondContact O-N 3.41Å; R889-A893 VanDerWaalsContact O-N 3.07Å |
| 890 | R | 70.9 | Confident | 68.6 | Low | 201 Ų | 201 | 110.8 Ų | 110.8 | 76% | 0.758 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.7 | -30.5 | 177 | -156.1 | 177 | -166.5 | -172.1 | 5.2 | 112.8 | C886 A887 F888 K894 | C886-R890 WeakPolarHBondContact O-CB 3.08Å; C886-R890 PolarHBondContact O-N 3.38Å; A887-R890 PolarHBondContact O-N 2.85Å; F888-R890 VanDerWaalsContact C-N 3.28Å; F888-R890 PolarHBondContact O-N 3.34Å; R890-K894 PolarHBondContact O-N 3.23Å |
| 891 | M | 72.9 | Confident | 67.3 | Low | 94 Ų | 94 | 116.7 Ų | 116.7 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.7 | -43.4 | 171.2 | -168 | -151.3 | -57.6 | 0 | 0 | 111.7 | A887 F888 R889 K894 R895 | A887-M891 PolarHBondContact O-N 3.06Å; F888-M891 WeakPolarHBondContact O-CB 3.36Å; F888-M891 PolarHBondContact O-N 3.37Å; R889-M891 VanDerWaalsContact C-N 3.33Å; R889-M891 PolarHBondContact O-N 3.47Å; M891-K894 WeakPolarHBondContact O-CB 3.44Å; M891-K894 PolarHBondContact O-N 2.9Å; M891-R895 PolarHBondContact O-N 3.49Å; M891-R895 VanDerWaalsContact O-N 3.09Å |
| 892 | Q | 73.6 | Confident | 66 | Low | 105 Ų | 105 | 121.6 Ų | 121.6 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.2 | -46.9 | 179.6 | -167.9 | 173.7 | 7.2 | 0 | 0 | 111.5 | F888 R889 K894 R895 Q896 | F888-Q892 PolarHBondContact O-N 2.89Å; R889-Q892 PolarHBondContact O-N 3.28Å; Q892-K894 VanDerWaalsContact C-N 3.32Å; Q892-K894 PolarHBondContact O-N 3.03Å; Q892-R895 WeakPolarHBondContact O-CB 3.29Å; Q892-R895 PolarHBondContact O-N 3.38Å; Q892-Q896 PolarHBondContact O-N 2.81Å; Q892-Q896 VanDerWaalsContact O-N 3.12Å |
| 893 | A | 62.1 | Low | 64.4 | Low | 52 Ų | 52 | 124.5 Ų | 124.5 | 43% | 0.43 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.5 | -37.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R889 R895 Q896 L897 | R889-A893 PolarHBondContact O-N 3.41Å; R889-A893 VanDerWaalsContact O-N 3.07Å; A893-R895 VanDerWaalsContact C-N 3.3Å; A893-R895 PolarHBondContact O-N 3Å; A893-Q896 PolarHBondContact O-N 3.08Å; A893-L897 PolarHBondContact O-N 3.02Å |
| 894 | K | 63.8 | Low | 62.7 | Low | 163 Ų | 163 | 122.5 Ų | 122.5 | 71% | 0.709 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64 | -30.9 | 173.5 | -95.2 | -170.3 | 173.6 | -174 | 0 | 113.2 | R890 M891 Q892 K898 | R890-K894 PolarHBondContact O-N 3.23Å; M891-K894 WeakPolarHBondContact O-CB 3.44Å; M891-K894 PolarHBondContact O-N 2.9Å; Q892-K894 VanDerWaalsContact C-N 3.32Å; Q892-K894 PolarHBondContact O-N 3.03Å; K894-K898 PolarHBondContact O-N 2.75Å |
| 895 | R | 67.6 | Low | 60.7 | Low | 177 Ų | 177 | 128.4 Ų | 128.4 | 67% | 0.668 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.6 | -47.3 | 173.1 | -73.3 | -177.1 | 173.2 | 177.2 | -2.6 | 111.1 | M891 Q892 A893 L897 K898 Q899 | M891-R895 PolarHBondContact O-N 3.49Å; M891-R895 VanDerWaalsContact O-N 3.09Å; Q892-R895 WeakPolarHBondContact O-CB 3.29Å; Q892-R895 PolarHBondContact O-N 3.38Å; A893-R895 VanDerWaalsContact C-N 3.3Å; A893-R895 PolarHBondContact O-N 3Å; R895-L897 VanDerWaalsContact C-N 3.34Å; R895-L897 PolarHBondContact O-N 3.18Å; R895-K898 WeakPolarHBondContact O-CA 3.49Å; R895-K898 WeakPolarHBondContact O-CB 3.32Å; R895-K898 PolarHBondContact O-N 3.34Å; R895-Q899 PolarHBondContact O-N 3.11Å; R895-Q899 VanDerWaalsContact O-N 3.07Å |
| 896 | Q | 60.1 | Low | 59.2 | Low | 116 Ų | 116 | 129.3 Ų | 129.3 | 54% | 0.542 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -58.2 | -43.3 | 176.5 | -70.7 | 172.7 | -51.2 | 0 | 0 | 112.2 | Q892 A893 K898 Q899 L900 | Q892-Q896 PolarHBondContact O-N 2.81Å; Q892-Q896 VanDerWaalsContact O-N 3.12Å; A893-Q896 PolarHBondContact O-N 3.08Å; Q896-K898 PolarHBondContact O-N 3.4Å; Q896-Q899 PolarHBondContact O-N 3.2Å; Q896-Q899 VanDerWaalsContact O-N 3.07Å; Q896-L900 WeakPolarHBondContact O-CG 3.46Å; Q896-L900 PolarHBondContact O-N 2.96Å |
| 897 | L | 56.5 | Low | 58.1 | Low | 109 Ų | 109 | 130.7 Ų | 130.7 | 57% | 0.571 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.4 | -35.4 | 173.5 | -175.4 | 71 | 0 | 0 | 0 | 112.8 | A893 R895 Q899 K901 | A893-L897 PolarHBondContact O-N 3.02Å; R895-L897 VanDerWaalsContact C-N 3.34Å; R895-L897 PolarHBondContact O-N 3.18Å; L897-Q899 VanDerWaalsContact C-N 3.33Å; L897-K901 WeakPolarHBondContact O-CG 3.48Å; L897-K901 PolarHBondContact O-N 2.88Å |
| 898 | K | 56.5 | Low | 56.8 | Low | 162 Ų | 162 | 135.3 Ų | 135.3 | 70% | 0.704 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.4 | -26.4 | 178.3 | -144.4 | -172.6 | -174.8 | -166.3 | 0 | 112.2 | K894 R895 Q896 | K894-K898 PolarHBondContact O-N 2.75Å; R895-K898 WeakPolarHBondContact O-CA 3.49Å; R895-K898 WeakPolarHBondContact O-CB 3.32Å; R895-K898 PolarHBondContact O-N 3.34Å; Q896-K898 PolarHBondContact O-N 3.4Å |
| 899 | Q | 56.4 | Low | 55.3 | Low | 122 Ų | 122 | 137.5 Ų | 137.5 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.4 | -45.6 | 179 | -162.5 | 160.7 | -7 | 0 | 0 | 111.3 | R895 Q896 L897 K901 I902 | R895-Q899 PolarHBondContact O-N 3.11Å; R895-Q899 VanDerWaalsContact O-N 3.07Å; Q896-Q899 PolarHBondContact O-N 3.2Å; Q896-Q899 VanDerWaalsContact O-N 3.07Å; L897-Q899 VanDerWaalsContact C-N 3.33Å; Q899-K901 PolarHBondContact O-N 2.99Å; Q899-K901 VanDerWaalsContact O-N 3.15Å; Q899-I902 WeakPolarHBondContact O-CB 3.44Å; Q899-I902 PolarHBondContact O-N 3.2Å |
| 900 | L | 50.6 | Low | 54 | Low | 111 Ų | 111 | 136 Ų | 136 | 58% | 0.581 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -60.8 | -24.2 | 171.5 | -68.1 | 168.6 | 0 | 0 | 0 | 113 | Q896 I902 | Q896-L900 WeakPolarHBondContact O-CG 3.46Å; Q896-L900 PolarHBondContact O-N 2.96Å; L900-I902 PolarHBondContact O-N 3.31Å |
| 901 | K | 50.8 | Low | 52.8 | Low | 173 Ų | 173 | 136.3 Ų | 136.3 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69 | -15.9 | 170.5 | -92.7 | -166.8 | 171.8 | -163.8 | 0 | 114.6 | L897 Q899 | L897-K901 WeakPolarHBondContact O-CG 3.48Å; L897-K901 PolarHBondContact O-N 2.88Å; Q899-K901 PolarHBondContact O-N 2.99Å; Q899-K901 VanDerWaalsContact O-N 3.15Å |
| 902 | I | 48.8 | Very low | 51 | Low | 143 Ų | 143 | 139 Ų | 139 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -89.9 | -36.4 | 179.1 | -61.4 | 168.9 | 0 | 0 | 0 | 110.4 | Q899 L900 | Q899-I902 WeakPolarHBondContact O-CB 3.44Å; Q899-I902 PolarHBondContact O-N 3.2Å; L900-I902 PolarHBondContact O-N 3.31Å |
| 903 | E | 39.9 | Very low | 49.3 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 63% | 0.631 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -83.8 | -21.6 | -171.3 | -65.1 | 169.7 | 129.1 | 0 | 0 | 114.3 | R905 | E903-R905 PolarHBondContact O-N 2.94Å |
| 904 | A | 41.3 | Very low | 48.3 | Very low | 77 Ų | 77 | 143.5 Ų | 143.5 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -72.2 | -20.8 | -156.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 905 | R | 33.9 | Very low | 47.2 | Very low | 241 Ų | 241 | 142.2 Ų | 142.2 | 91% | 0.909 | 71% | 0.708 | S | S | * | * | trans | -149.2 | 84.4 | -172.2 | -68.1 | -167 | 177.4 | 172.9 | 0.1 | 115.9 | E903 | E903-R905 PolarHBondContact O-N 2.94Š| ||
| 906 | S | 42.8 | Very low | 46.6 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | trans | -79 | -170.5 | 144.3 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 907 | A | 47.8 | Very low | 46.1 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | S | Bend | -139.3 | 140.3 | -79.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | |||
| 908 | Q | 46.6 | Very low | 45.7 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | -156.3 | -2.4 | 56.5 | -164.1 | 178.8 | 15.7 | 0 | 0 | 113.4 | L910 | Q908-L910 HydrophobicContact CB-CD1 3.88Å; Q908-L910 HydrophobicContact CG-CD1 3.75Å; Q908-L910 HydrophobicContact CG-CG 4.24Å; Q908-L910 WeakPolarHBondContact O-CA 3.47Å; Q908-L910 PolarHBondContact O-N 3.18Å | |||
| 909 | H | 43.7 | Very low | 45.3 | Very low | 173 Ų | 173 | 138 Ų | 138 | 80% | 0.801 | 72% | 0.717 | S | S | * | * | trans | 9.6 | 74.5 | -178.6 | -159.2 | -61.4 | 0 | 0 | 0 | 116.3 | K911 | H909-K911 PolarHBondContact O-N 2.92Å; H909-K911 VanDerWaalsContact O-N 3.15Å | ||
| 910 | L | 46.2 | Very low | 45.1 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 67% | 0.665 | 72% | 0.721 | S | S | * | * | trans | -64.1 | 112.4 | -150.9 | -86.7 | 85.1 | 0 | 0 | 0 | 116.7 | Q908 K912 | Q908-L910 HydrophobicContact CB-CD1 3.88Å; Q908-L910 HydrophobicContact CG-CD1 3.75Å; Q908-L910 HydrophobicContact CG-CG 4.24Å; Q908-L910 WeakPolarHBondContact O-CA 3.47Å; Q908-L910 PolarHBondContact O-N 3.18Å; L910-K912 PolarHBondContact O-N 2.77Å | ||
| 911 | K | 47.8 | Very low | 45.2 | Very low | 209 Ų | 209 | 140.9 Ų | 140.9 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 55.4 | -4.9 | 147.9 | -124.6 | 179.4 | -175.9 | -179.1 | 0 | 120.7 | H909 | H909-K911 PolarHBondContact O-N 2.92Å; H909-K911 VanDerWaalsContact O-N 3.15Å |
| 912 | K | 34.9 | Very low | 45.3 | Very low | 149 Ų | 149 | 139 Ų | 139 | 65% | 0.648 | 73% | 0.731 | S | S | * | * | trans | -139.1 | 123.3 | 157.5 | -85.9 | -166.1 | 175.3 | -178.6 | 0 | 111.3 | L910 N914 | L910-K912 PolarHBondContact O-N 2.77Å; K912-N914 HydrophobicContact CD-CB 4.2Å; K912-N914 HydrophobicContact CG-CB 4.21Å | ||
| 913 | L | 37.3 | Very low | 45.5 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | -122.5 | 79.8 | 111.3 | -166.3 | 90.6 | 0 | 0 | 0 | 108.2 | T915 | L913-T915 PolarHBondContact O-N 3.08Å; L913-T915 VanDerWaalsContact O-N 3.07Å | |||
| 914 | N | 40.7 | Very low | 46.2 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | trans | -73.7 | 98.2 | 164.2 | -69.5 | 22.7 | 0 | 0 | 0 | 107 | K912 | K912-N914 HydrophobicContact CD-CB 4.2Å; K912-N914 HydrophobicContact CG-CB 4.21Å | ||
| 915 | T | 41.8 | Very low | 46.5 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 55.2 | 111.3 | 163.7 | 56.4 | 0 | 0 | 0 | 0 | 118 | L913 | L913-T915 PolarHBondContact O-N 3.08Å; L913-T915 VanDerWaalsContact O-N 3.07Å |
| 916 | G | 55 | Low | 47.3 | Very low | 60 Ų | 60 | 144.8 Ų | 144.8 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | trans | 165.5 | 172.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 917 | M | 49.8 | Very low | 48 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 84% | 0.837 | 74% | 0.741 | S | S | * | * | trans | -119.5 | 169.8 | -173.5 | -83.7 | 164.5 | 62.3 | 0 | 0 | 110.1 | ||||
| 918 | E | 46.9 | Very low | 48.5 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 64% | 0.64 | 74% | 0.736 | S | S | * | * | cis | -156.5 | -178.6 | 12.4 | -143.7 | -170.5 | -168.9 | 0 | 0 | 113.1 | ||||
| 919 | N | 48.5 | Very low | 48.8 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 58% | 0.578 | 73% | 0.732 | S | S | * | * | trans | 37.4 | 152.5 | 141.5 | -77.8 | -15 | 0 | 0 | 0 | 124.1 | ||||
| 920 | K | 51.8 | Low | 49.4 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | cis | -174.2 | -39.5 | -29.1 | -156.7 | 68.7 | 168.4 | -164.5 | 0 | 112.6 | ||||
| 921 | I | 53 | Low | 50 | Low | 142 Ų | 142 | 148.6 Ų | 148.6 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -75 | -42.4 | -143.2 | -70.9 | 171.2 | 0 | 0 | 0 | 115.1 | Q923 L924 | I921-Q923 PolarHBondContact O-N 3.38Å; I921-L924 PolarHBondContact O-N 2.94Å |
| 922 | V | 53.3 | Low | 50.5 | Low | 134 Ų | 134 | 143.6 Ų | 143.6 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -65.8 | -13 | -170.9 | -173.5 | 0 | 0 | 0 | 0 | 113 | L924 | V922-L924 VanDerWaalsContact C-N 3.26Å; V922-L924 PolarHBondContact O-N 3.49Å |
| 923 | Q | 53.1 | Low | 51.4 | Low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -76.9 | -1.1 | -178 | -131.8 | 175.1 | 20.7 | 0 | 0 | 115 | I921 | I921-Q923 PolarHBondContact O-N 3.38Š|
| 924 | L | 54.7 | Low | 52.4 | Low | 131 Ų | 131 | 146 Ų | 146 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -96.5 | -31.6 | -169.8 | -73.3 | 167.1 | 0 | 0 | 0 | 115.8 | I921 V922 R926 | I921-L924 PolarHBondContact O-N 2.94Å; V922-L924 VanDerWaalsContact C-N 3.26Å; V922-L924 PolarHBondContact O-N 3.49Å; L924-R926 PolarHBondContact O-N 3.26Å |
| 925 | Q | 47.2 | Very low | 53.2 | Low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -19.6 | -163.8 | -83.5 | 172.6 | -50.8 | 0 | 0 | 116.6 | ||
| 926 | R | 50.7 | Low | 53.9 | Low | 230 Ų | 230 | 150.6 Ų | 150.6 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 1.2 | -176.5 | -78 | -173 | 175.3 | 173 | -0.3 | 115.6 | L924 | L924-R926 PolarHBondContact O-N 3.26Š|
| 927 | K | 57.6 | Low | 53.9 | Low | 171 Ų | 171 | 152.5 Ų | 152.5 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -89.7 | 1.6 | -171.8 | -147.6 | -173.5 | -176.9 | -170.6 | 0 | 114.6 | ||
| 928 | M | 57.8 | Low | 54.2 | Low | 143 Ų | 143 | 152.2 Ų | 152.2 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -94 | -34.8 | -170.7 | -161.7 | 179.5 | 75.1 | 0 | 0 | 113.4 | E930 Q931 | M928-E930 VanDerWaalsContact C-N 3.31Å; M928-E930 PolarHBondContact O-N 3.23Å; M928-Q931 PolarHBondContact O-N 2.94Å |
| 929 | D | 54 | Low | 54.5 | Low | 120 Ų | 120 | 152.2 Ų | 152.2 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -25.1 | -169.6 | -60.5 | -43.3 | 0 | 0 | 0 | 114 | ||
| 930 | E | 55.7 | Low | 54.9 | Low | 165 Ų | 165 | 154.9 Ų | 154.9 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -28.8 | -177.7 | -70.4 | -175 | 126.2 | 0 | 0 | 113.4 | M928 S932 | M928-E930 VanDerWaalsContact C-N 3.31Å; M928-E930 PolarHBondContact O-N 3.23Å; E930-S932 PolarHBondContact O-N 3.36Å |
| 931 | Q | 59.6 | Low | 55 | Low | 156 Ų | 156 | 156 Ų | 156 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -73.2 | -23.6 | -175.2 | -68.3 | -163.9 | -76.2 | 0 | 0 | 114.1 | M928 K933 | M928-Q931 PolarHBondContact O-N 2.94Å; Q931-K933 VanDerWaalsContact C-N 3.32Å; Q931-K933 PolarHBondContact O-N 3.47Å |
| 932 | S | 57.8 | Low | 55.1 | Low | 103 Ų | 103 | 156.5 Ų | 156.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -74.6 | -19 | -170.4 | -162.2 | 0 | 0 | 0 | 0 | 113.9 | E930 | E930-S932 PolarHBondContact O-N 3.36Š|
| 933 | K | 54 | Low | 55.3 | Low | 187 Ų | 187 | 156.2 Ų | 156.2 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -80.5 | -23.4 | -173.8 | -97 | 176.6 | 175.1 | 172.8 | 0 | 115.5 | Q931 | Q931-K933 VanDerWaalsContact C-N 3.32Å; Q931-K933 PolarHBondContact O-N 3.47Å |
| 934 | E | 57.4 | Low | 55.7 | Low | 156 Ų | 156 | 153.9 Ų | 153.9 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -86.1 | -22.1 | -165.8 | -161.2 | 164.9 | -150.2 | 0 | 0 | 114.1 | K936 | E934-K936 VanDerWaalsContact C-N 3.35Å; E934-K936 PolarHBondContact O-N 3.4Å |
| 935 | L | 58.6 | Low | 55.3 | Low | 154 Ų | 154 | 151.4 Ų | 151.4 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -73.2 | -16.3 | -174.7 | -89.4 | 164.5 | 0 | 0 | 0 | 115.5 | ||
| 936 | K | 55.4 | Low | 55.7 | Low | 189 Ų | 189 | 150.9 Ų | 150.9 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -87 | -15.9 | -162 | -146 | 174.3 | -174.1 | -179.7 | 0 | 115.4 | E934 | E934-K936 VanDerWaalsContact C-N 3.35Å; E934-K936 PolarHBondContact O-N 3.4Å |
| 937 | T | 55.8 | Low | 56.1 | Low | 100 Ų | 100 | 144.6 Ų | 144.6 | 61% | 0.613 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -101.4 | -9.2 | -168 | 47.4 | 0 | 0 | 0 | 0 | 115.6 | N939 | T937-N939 PolarHBondContact O-N 2.8Š|
| 938 | Q | 56.3 | Low | 55.9 | Low | 163 Ų | 163 | 141.2 Ų | 141.2 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -12.8 | -174.9 | -65.7 | -171.3 | -2.6 | 0 | 0 | 114.5 | ||
| 939 | N | 53.3 | Low | 55.4 | Low | 137 Ų | 137 | 142.4 Ų | 142.4 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -19.1 | -168 | -160.5 | 44.6 | 0 | 0 | 0 | 114.9 | T937 Q941 | T937-N939 PolarHBondContact O-N 2.8Å; N939-Q941 PolarHBondContact O-N 2.81Å |
| 940 | E | 55.6 | Low | 55.8 | Low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -82.5 | -14 | -167.5 | -63.8 | -178.8 | 141.3 | 0 | 0 | 114.5 | L942 | E940-L942 PolarHBondContact O-N 2.79Š|
| 941 | Q | 55.2 | Low | 56.4 | Low | 176 Ų | 176 | 137.1 Ų | 137.1 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -83.9 | -2.8 | -169.2 | -64.4 | -171.1 | -7 | 0 | 0 | 115.5 | N939 | N939-Q941 PolarHBondContact O-N 2.81Š|
| 942 | L | 53.7 | Low | 56.3 | Low | 153 Ų | 153 | 138.1 Ų | 138.1 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -93.9 | -14.6 | -166.7 | -107.6 | 168.2 | 0 | 0 | 0 | 116.3 | E940 | E940-L942 PolarHBondContact O-N 2.79Š|
| 943 | V | 58.4 | Low | 56.7 | Low | 127 Ų | 127 | 139.4 Ų | 139.4 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -85.3 | -25.9 | -164.8 | 177.7 | 0 | 0 | 0 | 0 | 114.1 | A945 | V943-A945 PolarHBondContact O-N 3.08Š|
| 944 | T | 60.5 | Low | 57.2 | Low | 132 Ų | 132 | 136.2 Ų | 136.2 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -2.9 | -159.2 | -6.6 | 0 | 0 | 0 | 0 | 116.7 | ||
| 945 | A | 47.4 | Very low | 57.7 | Low | 80 Ų | 80 | 137.9 Ų | 137.9 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -23.8 | -162 | 0 | 0 | 0 | 0 | 0 | 116.8 | V943 A947 | V943-A945 PolarHBondContact O-N 3.08Å; A945-A947 PolarHBondContact O-N 3.37Å |
| 946 | N | 55.7 | Low | 57.6 | Low | 162 Ų | 162 | 137.7 Ų | 137.7 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -2.7 | -159.9 | -80.3 | -14.7 | 0 | 0 | 0 | 117.1 | ||
| 947 | A | 58.1 | Low | 57.8 | Low | 98 Ų | 98 | 137 Ų | 137 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -12.1 | -161.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | A945 | A945-A947 PolarHBondContact O-N 3.37Š|
| 948 | S | 52.7 | Low | 58.3 | Low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -91.9 | -2.1 | -158.4 | 61.1 | 0 | 0 | 0 | 0 | 117.5 | ||
| 949 | L | 47.7 | Very low | 58.5 | Low | 167 Ų | 167 | 141.5 Ų | 141.5 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -93.1 | -6.3 | -161.9 | -137.9 | 79.1 | 0 | 0 | 0 | 116.8 | ||
| 950 | G | 63.4 | Low | 58.6 | Low | 75 Ų | 75 | 142.7 Ų | 142.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -91.8 | -5.2 | -158.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 951 | S | 67.2 | Low | 59 | Low | 100 Ų | 100 | 143.3 Ų | 143.3 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -102.6 | -6.4 | -154.3 | 57.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 952 | E | 57.3 | Low | 59.4 | Low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -82.8 | -23.9 | -171.1 | -68.8 | -154.6 | 122 | 0 | 0 | 115.9 | T954 | E952-T954 PolarHBondContact O-N 3.27Š|
| 953 | V | 66.4 | Low | 59.5 | Low | 129 Ų | 129 | 143.1 Ų | 143.1 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -68.8 | -33.6 | -160.3 | 179.3 | 0 | 0 | 0 | 0 | 114.6 | K955 | V953-K955 VanDerWaalsContact C-N 3.28Å; V953-K955 PolarHBondContact O-N 3.47Å; V953-K955 VanDerWaalsContact O-N 3.17Å |
| 954 | T | 64.6 | Low | 59.5 | Low | 121 Ų | 121 | 148.8 Ų | 148.8 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -74.8 | -3.8 | -167.8 | 32.3 | 0 | 0 | 0 | 0 | 115.9 | E952 | E952-T954 PolarHBondContact O-N 3.27Š|
| 955 | K | 67.6 | Low | 59.1 | Low | 191 Ų | 191 | 146.9 Ų | 146.9 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -86.2 | -13.9 | -163.6 | -139.3 | 170.2 | -172.5 | 173.5 | 0 | 116.1 | V953 | V953-K955 VanDerWaalsContact C-N 3.28Å; V953-K955 PolarHBondContact O-N 3.47Å; V953-K955 VanDerWaalsContact O-N 3.17Å |
| 956 | L | 56.4 | Low | 58.9 | Low | 150 Ų | 150 | 151.6 Ų | 151.6 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -96.3 | -18.6 | -165.4 | -74.4 | 167.7 | 0 | 0 | 0 | 116.2 | K958 | L956-K958 VanDerWaalsContact C-N 3.34Å; L956-K958 PolarHBondContact O-N 3.41Å |
| 957 | Q | 59.6 | Low | 58.3 | Low | 175 Ų | 175 | 153.3 Ų | 153.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -75.7 | -13.9 | -167.3 | -71.2 | 173.9 | -50.7 | 0 | 0 | 115.4 | Q959 | Q957-Q959 PolarHBondContact O-N 2.9Š|
| 958 | K | 67.4 | Low | 57.6 | Low | 195 Ų | 195 | 155.2 Ų | 155.2 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | G | 310 helix | trans | -91.9 | 7.1 | -160.2 | -144.1 | 177.8 | -175.7 | 178.3 | 0 | 116.7 | L956 | L956-K958 VanDerWaalsContact C-N 3.34Å; L956-K958 PolarHBondContact O-N 3.41Å |
| 959 | Q | 59.5 | Low | 57.4 | Low | 161 Ų | 161 | 158.7 Ų | 158.7 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | G | 310 helix | trans | -104.3 | -8.6 | -169.9 | -71.4 | -172.7 | -35.3 | 0 | 0 | 115.9 | Q957 | Q957-Q959 PolarHBondContact O-N 2.9Š|
| 960 | L | 55.2 | Low | 57.7 | Low | 162 Ų | 162 | 153.4 Ų | 153.4 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -88.8 | -15.1 | -165.4 | -142.6 | 145.3 | 0 | 0 | 0 | 114.2 | ||
| 961 | E | 64.2 | Low | 57.4 | Low | 177 Ų | 177 | 153.4 Ų | 153.4 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -89.2 | -19.9 | -160.9 | -151.8 | 156.4 | -142.6 | 0 | 0 | 114.6 | I963 | E961-I963 PolarHBondContact O-N 2.79Š|
| 962 | Q | 64.9 | Low | 56.9 | Low | 169 Ų | 169 | 156.7 Ų | 156.7 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -12.8 | -168.8 | -68.6 | -174.9 | -55.8 | 0 | 0 | 116.1 | ||
| 963 | I | 55.8 | Low | 56.9 | Low | 157 Ų | 157 | 152.9 Ų | 152.9 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -11 | -166.9 | -67 | 176.1 | 0 | 0 | 0 | 113.3 | E961 S965 | E961-I963 PolarHBondContact O-N 2.79Å; I963-S965 PolarHBondContact O-N 3.01Å |
| 964 | R | 58.5 | Low | 56.6 | Low | 245 Ų | 245 | 154 Ų | 154 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -91.1 | 6.6 | -160.2 | -130.9 | 177.7 | -173.8 | -179.8 | 0.5 | 117 | ||
| 965 | S | 51.3 | Low | 56.8 | Low | 93 Ų | 93 | 152.1 Ų | 152.1 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | -125.9 | 20 | -154.5 | 57.1 | 0 | 0 | 0 | 0 | 118 | I963 | I963-S965 PolarHBondContact O-N 3.01Š| ||
| 966 | Q | 44.4 | Very low | 56.5 | Low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -139.8 | 79 | -170.6 | -62.9 | -174.2 | -10 | 0 | 0 | 115.8 | ||||
| 967 | Q | 41.2 | Very low | 56.8 | Low | 197 Ų | 197 | 148 Ų | 148 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -149.8 | 135.8 | 164.2 | -75.1 | -165.9 | -37.6 | 0 | 0 | 112.4 | ||||
| 968 | P | 45.1 | Very low | 57.4 | Low | 139 Ų | 139 | 145.6 Ų | 145.6 | 90% | 0.903 | 76% | 0.756 | S | S | * | * | trans | -121.5 | -172 | 172.2 | 41.3 | -29.4 | 0 | 0 | 0 | 114.7 | ||||
| 969 | D | 48.8 | Very low | 57.6 | Low | 173 Ų | 173 | 141.1 Ų | 141.1 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | trans | -124.1 | 176.6 | -142.3 | -161.1 | 3 | 0 | 0 | 0 | 115.5 | ||||
| 970 | G | 52.8 | Low | 58.2 | Low | 56 Ų | 56 | 137.1 Ų | 137.1 | 58% | 0.577 | 73% | 0.725 | S | S | * | * | trans | -129.6 | 16.8 | -154.2 | 0 | 0 | 0 | 0 | 0 | 121 | Q972 | G970-Q972 VanDerWaalsContact C-N 3.31Å; G970-Q972 PolarHBondContact O-N 3.44Å | ||
| 971 | G | 57.4 | Low | 59.1 | Low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 21.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||
| 972 | Q | 55.6 | Low | 59.9 | Low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 3.5 | -172.4 | -149.1 | 178.4 | 20.8 | 0 | 0 | 115.6 | G970 | G970-Q972 VanDerWaalsContact C-N 3.31Å; G970-Q972 PolarHBondContact O-N 3.44Å |
| 973 | V | 59.3 | Low | 60.3 | Low | 97 Ų | 97 | 130.2 Ų | 130.2 | 59% | 0.588 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -98.4 | -34.8 | -172.9 | 179.8 | 0 | 0 | 0 | 0 | 113 | ||
| 974 | E | 59.6 | Low | 61 | Low | 152 Ų | 152 | 130 Ų | 130 | 71% | 0.71 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -41.8 | -166.5 | -64.7 | 176.7 | 137.1 | 0 | 0 | 113.4 | L976 Q977 | E974-L976 PolarHBondContact O-N 3.12Å; E974-L976 VanDerWaalsContact O-N 3.15Å; E974-Q977 PolarHBondContact O-N 2.97Å |
| 975 | S | 68.3 | Low | 61.9 | Low | 81 Ų | 81 | 124.7 Ų | 124.7 | 57% | 0.566 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -65.1 | -21.2 | -177.5 | 64 | 0 | 0 | 0 | 0 | 114.5 | Q977 | S975-Q977 VanDerWaalsContact C-N 3.32Å |
| 976 | L | 60.8 | Low | 63.2 | Low | 126 Ų | 126 | 126.4 Ų | 126.4 | 66% | 0.66 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -81.2 | -9.1 | 175.1 | -72.1 | 172.8 | 0 | 0 | 0 | 113.4 | E974 V980 | E974-L976 PolarHBondContact O-N 3.12Å; E974-L976 VanDerWaalsContact O-N 3.15Å; L976-V980 WeakPolarHBondContact O-CG2 3.5Å |
| 977 | Q | 62.5 | Low | 64.6 | Low | 128 Ų | 128 | 122.9 Ų | 122.9 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -90 | -38.1 | 176 | -65.7 | -170.7 | -123.9 | 0 | 0 | 112 | E974 S975 E979 V980 | E974-Q977 PolarHBondContact O-N 2.97Å; S975-Q977 VanDerWaalsContact C-N 3.32Å; Q977-E979 PolarHBondContact O-N 2.64Å; Q977-V980 PolarHBondContact O-N 3.13Å |
| 978 | E | 72.2 | Confident | 66.3 | Low | 126 Ų | 126 | 120.5 Ų | 120.5 | 59% | 0.589 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.4 | -38.9 | 179 | -60.4 | -173.1 | 151.4 | 0 | 0 | 112.9 | V980 E981 R982 | E978-V980 PolarHBondContact O-N 3.06Å; E978-E981 PolarHBondContact O-N 3.48Å; E978-R982 PolarHBondContact O-N 3.02Å |
| 979 | E | 72.1 | Confident | 67.9 | Low | 101 Ų | 101 | 120.1 Ų | 120.1 | 47% | 0.472 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.9 | -30.8 | 178.6 | -160.8 | 81.4 | 134.8 | 0 | 0 | 112.6 | Q977 R982 | Q977-E979 PolarHBondContact O-N 2.64Å; E979-R982 IonicContact OE2-CZ 3.5Å; E979-R982 IonicContact OE2-NE 3.5Å; E979-R982 PolarHBondContact OE2-NE 3.02Å; E979-R982 IonicContact OE2-NH2 2.69Å; E979-R982 PolarHBondContact OE2-NH2 3.07Å |
| 980 | V | 71.9 | Confident | 69.2 | Low | 76 Ų | 76 | 114.5 Ų | 114.5 | 46% | 0.461 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -83.3 | -20.1 | -175.4 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | L976 Q977 E978 R984 | L976-V980 WeakPolarHBondContact O-CG2 3.5Å; Q977-V980 PolarHBondContact O-N 3.13Å; E978-V980 PolarHBondContact O-N 3.06Å; V980-R984 WeakPolarHBondContact O-CD 3.31Å; V980-R984 WeakPolarHBondContact O-CG 3.37Å |
| 981 | E | 75.2 | Confident | 70.1 | Confident | 127 Ų | 127 | 117.8 Ų | 117.8 | 59% | 0.593 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -83.1 | -45 | 174.5 | -60.3 | -124.7 | 112.6 | 0 | 0 | 111.1 | E978 L983 R984 E985 | E978-E981 PolarHBondContact O-N 3.48Å; E981-L983 VanDerWaalsContact C-N 3.33Å; E981-L983 PolarHBondContact O-N 3.44Å; E981-R984 WeakPolarHBondContact O-CB 3.43Å; E981-R984 PolarHBondContact O-N 2.94Å; E981-E985 PolarHBondContact O-N 2.7Å |
| 982 | R | 80.8 | Confident | 71.1 | Confident | 128 Ų | 128 | 116.5 Ų | 116.5 | 48% | 0.483 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -49.1 | -51.1 | 175.3 | -79.8 | -168.8 | -77.4 | -91.5 | 3.7 | 112.8 | E978 E979 R984 E985 E986 | E978-R982 PolarHBondContact O-N 3.02Å; E979-R982 IonicContact OE2-CZ 3.5Å; E979-R982 IonicContact OE2-NE 3.5Å; E979-R982 PolarHBondContact OE2-NE 3.02Å; E979-R982 IonicContact OE2-NH2 2.69Å; E979-R982 PolarHBondContact OE2-NH2 3.07Å; R982-R984 PolarHBondContact O-N 3.38Å; R982-R984 VanDerWaalsContact O-N 3.09Å; R982-E985 PolarHBondContact O-N 2.89Å; R982-E985 VanDerWaalsContact O-N 3.14Å; R982-E986 PolarHBondContact O-N 3.17Å |
| 983 | L | 72.7 | Confident | 72.1 | Confident | 109 Ų | 109 | 114.5 Ų | 114.5 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.1 | -8.7 | -178.8 | -69.3 | 171 | 0 | 0 | 0 | 114.4 | E981 | E981-L983 VanDerWaalsContact C-N 3.33Å; E981-L983 PolarHBondContact O-N 3.44Å |
| 984 | R | 70.3 | Confident | 72.9 | Confident | 153 Ų | 153 | 117.7 Ų | 117.7 | 58% | 0.577 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -92.6 | -33.9 | 172.6 | -70.8 | 172.6 | 172.3 | -179.3 | 0.2 | 112.5 | V980 E981 R982 Q988 | V980-R984 WeakPolarHBondContact O-CD 3.31Å; V980-R984 WeakPolarHBondContact O-CG 3.37Å; E981-R984 WeakPolarHBondContact O-CB 3.43Å; E981-R984 PolarHBondContact O-N 2.94Å; R982-R984 PolarHBondContact O-N 3.38Å; R982-R984 VanDerWaalsContact O-N 3.09Å; R984-Q988 PolarHBondContact O-N 2.64Å |
| 985 | E | 78.3 | Confident | 73.6 | Confident | 133 Ų | 133 | 116.1 Ų | 116.1 | 62% | 0.621 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.6 | -48.3 | 178.9 | -63.5 | -173.2 | 130.6 | 0 | 0 | 110.7 | E981 R982 L987 Q988 E989 | E981-E985 PolarHBondContact O-N 2.7Å; R982-E985 PolarHBondContact O-N 2.89Å; R982-E985 VanDerWaalsContact O-N 3.14Å; E985-L987 PolarHBondContact O-N 3.41Å; E985-Q988 PolarHBondContact O-N 2.92Å; E985-E989 PolarHBondContact O-N 2.95Å |
| 986 | E | 77.5 | Confident | 74.2 | Confident | 129 Ų | 129 | 120 Ų | 120 | 60% | 0.603 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -54 | -40.3 | 173.9 | -69.5 | -173.4 | 129.4 | 0 | 0 | 112.4 | R982 Q988 E989 A990 | R982-E986 PolarHBondContact O-N 3.17Å; E986-Q988 VanDerWaalsContact C-N 3.32Å; E986-Q988 PolarHBondContact O-N 3.24Å; E986-E989 PolarHBondContact O-N 3.28Å; E986-A990 WeakPolarHBondContact O-CB 3.41Å; E986-A990 PolarHBondContact O-N 3.13Å |
| 987 | L | 75.3 | Confident | 74.9 | Confident | 104 Ų | 104 | 120.2 Ų | 120.2 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.5 | -29.3 | 179.6 | -174.7 | 62.4 | 0 | 0 | 0 | 112.7 | E985 Q991 | E985-L987 PolarHBondContact O-N 3.41Å; L987-Q991 VanDerWaalsContact O-CG 3.26Å; L987-Q991 WeakPolarHBondContact O-CG 3.44Å; L987-Q991 PolarHBondContact O-N 3.26Å |
| 988 | Q | 76.4 | Confident | 75.3 | Confident | 147 Ų | 147 | 119.5 Ų | 119.5 | 69% | 0.687 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -76.2 | -42.1 | 172.5 | -78.6 | -166.6 | -45.2 | 0 | 0 | 111.9 | R984 E985 E986 Q991 A992 | R984-Q988 PolarHBondContact O-N 2.64Å; E985-Q988 PolarHBondContact O-N 2.92Å; E986-Q988 VanDerWaalsContact C-N 3.32Å; E986-Q988 PolarHBondContact O-N 3.24Å; Q988-Q991 PolarHBondContact O-N 3.04Å; Q988-A992 PolarHBondContact O-N 2.94Å |
| 989 | E | 78.8 | Confident | 75.5 | Confident | 131 Ų | 131 | 118.8 Ų | 118.8 | 61% | 0.612 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.2 | -44.2 | 177.7 | -66.6 | -150.8 | 124.7 | 0 | 0 | 112 | E985 E986 Q991 A992 Q993 | E985-E989 PolarHBondContact O-N 2.95Å; E986-E989 PolarHBondContact O-N 3.28Å; E989-Q991 VanDerWaalsContact C-N 3.29Å; E989-Q991 PolarHBondContact O-N 3.09Å; E989-A992 PolarHBondContact O-N 3Å; E989-A992 VanDerWaalsContact O-N 3.1Å; E989-Q993 WeakPolarHBondContact O-CG 3.45Å; E989-Q993 PolarHBondContact O-N 2.68Å |
| 990 | A | 74.9 | Confident | 75.7 | Confident | 55 Ų | 55 | 119.3 Ų | 119.3 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.1 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E986 R994 | E986-A990 WeakPolarHBondContact O-CB 3.41Å; E986-A990 PolarHBondContact O-N 3.13Å; A990-R994 WeakPolarHBondContact O-CB 3.45Å; A990-R994 PolarHBondContact O-N 2.86Å; A990-R994 VanDerWaalsContact O-N 3.16Å |
| 991 | Q | 73.1 | Confident | 75.9 | Confident | 126 Ų | 126 | 121.7 Ų | 121.7 | 59% | 0.589 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.6 | -37.1 | 174.6 | -72.7 | 176.3 | 29.8 | 0 | 0 | 112.2 | L987 Q988 E989 K995 | L987-Q991 VanDerWaalsContact O-CG 3.26Å; L987-Q991 WeakPolarHBondContact O-CG 3.44Å; L987-Q991 PolarHBondContact O-N 3.26Å; Q988-Q991 PolarHBondContact O-N 3.04Å; E989-Q991 VanDerWaalsContact C-N 3.29Å; E989-Q991 PolarHBondContact O-N 3.09Å; Q991-K995 PolarHBondContact O-N 2.93Å |
| 992 | A | 77.6 | Confident | 76.1 | Confident | 47 Ų | 47 | 117.6 Ų | 117.6 | 39% | 0.388 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.8 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q988 E989 K995 R996 | Q988-A992 PolarHBondContact O-N 2.94Å; E989-A992 PolarHBondContact O-N 3Å; E989-A992 VanDerWaalsContact O-N 3.1Å; A992-K995 PolarHBondContact O-N 3.42Å; A992-R996 PolarHBondContact O-N 3.11Å |
| 993 | Q | 77.2 | Confident | 76 | Confident | 128 Ų | 128 | 115 Ų | 115 | 60% | 0.598 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.4 | -47.9 | 176.3 | -72.2 | -176.4 | 3.5 | 0 | 0 | 111.6 | E989 K995 R996 M997 | E989-Q993 WeakPolarHBondContact O-CG 3.45Å; E989-Q993 PolarHBondContact O-N 2.68Å; Q993-K995 VanDerWaalsContact C-N 3.28Å; Q993-K995 PolarHBondContact O-N 3.29Å; Q993-R996 PolarHBondContact O-N 3.27Å; Q993-R996 VanDerWaalsContact O-N 3.13Å; Q993-M997 PolarHBondContact O-N 3.36Å; Q993-M997 VanDerWaalsContact O-N 3.16Å |
| 994 | R | 74.9 | Confident | 76.1 | Confident | 164 Ų | 164 | 115.9 Ų | 115.9 | 62% | 0.619 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.7 | -42.4 | 178.3 | 178.8 | 178.1 | 168.6 | 154.5 | 5.7 | 112.2 | A990 R996 M997 E998 | A990-R994 WeakPolarHBondContact O-CB 3.45Å; A990-R994 PolarHBondContact O-N 2.86Å; A990-R994 VanDerWaalsContact O-N 3.16Å; R994-R996 VanDerWaalsContact C-N 3.34Å; R994-R996 PolarHBondContact O-N 3.37Å; R994-M997 PolarHBondContact O-N 2.79Å; R994-E998 IonicContact CZ-OE1 3.12Å; R994-E998 VanDerWaalsContact CZ-OE1 3.23Å; R994-E998 IonicContact NE-OE1 2.74Å; R994-E998 PolarHBondContact NE-OE1 3.41Å; R994-E998 IonicContact NH2-OE1 2.78Å; R994-E998 PolarHBondContact NH2-OE1 2.9Å; R994-E998 PolarHBondContact O-N 3.01Å |
| 995 | K | 75.2 | Confident | 76.4 | Confident | 119 Ų | 119 | 114.6 Ų | 114.6 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -35.6 | 179.4 | -172.6 | 169.8 | -179.8 | -73.5 | 0 | 112.4 | Q991 A992 Q993 E998 E999 | Q991-K995 PolarHBondContact O-N 2.93Å; A992-K995 PolarHBondContact O-N 3.42Å; Q993-K995 VanDerWaalsContact C-N 3.28Å; Q993-K995 PolarHBondContact O-N 3.29Å; K995-E998 PolarHBondContact O-N 3.14Å; K995-E999 WeakPolarHBondContact CE-OE1 3.47Å; K995-E999 IonicContact NZ-OE1 2.81Å; K995-E999 PolarHBondContact NZ-OE1 3.13Å; K995-E999 IonicContact NZ-OE2 3.82Å; K995-E999 WeakPolarHBondContact O-CG 3.24Å; K995-E999 PolarHBondContact O-N 2.76Å |
| 996 | R | 81.5 | Confident | 76.3 | Confident | 164 Ų | 164 | 114.6 Ų | 114.6 | 62% | 0.619 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.3 | -47.9 | 173.8 | -66.6 | -179.2 | -165.5 | 174.5 | 6.6 | 111.6 | A992 Q993 R994 E998 E999 E1000 | A992-R996 PolarHBondContact O-N 3.11Å; Q993-R996 PolarHBondContact O-N 3.27Å; Q993-R996 VanDerWaalsContact O-N 3.13Å; R994-R996 VanDerWaalsContact C-N 3.34Å; R994-R996 PolarHBondContact O-N 3.37Å; R996-E998 VanDerWaalsContact C-N 3.32Å; R996-E998 PolarHBondContact O-N 2.83Å; R996-E999 CarbonylContact O-C 3.58Å; R996-E999 PolarHBondContact O-N 3.48Å; R996-E1000 WeakPolarHBondContact O-CB 3.33Å; R996-E1000 WeakPolarHBondContact O-CG 3.06Å; R996-E1000 PolarHBondContact O-N 3.49Å |
| 997 | M | 74.4 | Confident | 76.4 | Confident | 130 Ų | 130 | 112 Ų | 112 | 64% | 0.64 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -35.1 | 177.3 | -68.4 | -157.5 | -58.4 | 0 | 0 | 113.1 | Q993 R994 E999 H1001 | Q993-M997 PolarHBondContact O-N 3.36Å; Q993-M997 VanDerWaalsContact O-N 3.16Å; R994-M997 PolarHBondContact O-N 2.79Å; M997-E999 VanDerWaalsContact C-N 3.31Å; M997-E999 PolarHBondContact O-N 3.26Å; M997-H1001 VanDerWaalsContact O-CB 3.27Å; M997-H1001 WeakPolarHBondContact O-CB 3.21Å; M997-H1001 PolarHBondContact O-N 3.11Å |
| 998 | E | 71.7 | Confident | 76.3 | Confident | 112 Ų | 112 | 112.6 Ų | 112.6 | 52% | 0.523 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.2 | -30 | 173.7 | -73.3 | 179.7 | -174.1 | 0 | 0 | 112.4 | R994 K995 R996 G1002 | R994-E998 IonicContact CZ-OE1 3.12Å; R994-E998 VanDerWaalsContact CZ-OE1 3.23Å; R994-E998 IonicContact NE-OE1 2.74Å; R994-E998 PolarHBondContact NE-OE1 3.41Å; R994-E998 IonicContact NH2-OE1 2.78Å; R994-E998 PolarHBondContact NH2-OE1 2.9Å; R994-E998 PolarHBondContact O-N 3.01Å; K995-E998 PolarHBondContact O-N 3.14Å; R996-E998 VanDerWaalsContact C-N 3.32Å; R996-E998 PolarHBondContact O-N 2.83Å; E998-G1002 PolarHBondContact O-N 3.38Å |
| 999 | E | 76.4 | Confident | 76.2 | Confident | 111 Ų | 111 | 110.1 Ų | 110.1 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -79.1 | -42.6 | 174.1 | -73.2 | 170.5 | 175.8 | 0 | 0 | 112.4 | K995 R996 M997 G1002 S1003 | K995-E999 WeakPolarHBondContact CE-OE1 3.47Å; K995-E999 IonicContact NZ-OE1 2.81Å; K995-E999 PolarHBondContact NZ-OE1 3.13Å; K995-E999 IonicContact NZ-OE2 3.82Å; K995-E999 WeakPolarHBondContact O-CG 3.24Å; K995-E999 PolarHBondContact O-N 2.76Å; R996-E999 CarbonylContact O-C 3.58Å; R996-E999 PolarHBondContact O-N 3.48Å; M997-E999 VanDerWaalsContact C-N 3.31Å; M997-E999 PolarHBondContact O-N 3.26Å; E999-G1002 WeakPolarHBondContact O-CA 3.32Å; E999-G1002 PolarHBondContact O-N 2.88Å; E999-S1003 PolarHBondContact O-N 2.64Å |
| 1000 | E | 76.1 | Confident | 76.1 | Confident | 113 Ų | 113 | 109 Ų | 109 | 53% | 0.528 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -53.2 | 177.1 | -74.1 | 165.4 | 166.5 | 0 | 0 | 111.5 | R996 G1002 S1003 E1004 | R996-E1000 WeakPolarHBondContact O-CB 3.33Å; R996-E1000 WeakPolarHBondContact O-CG 3.06Å; R996-E1000 PolarHBondContact O-N 3.49Å; E1000-G1002 PolarHBondContact O-N 2.82Å; E1000-S1003 WeakPolarHBondContact O-CA 3.1Å; E1000-S1003 WeakPolarHBondContact O-CB 3.14Å; E1000-S1003 PolarHBondContact O-N 2.99Å; E1000-S1003 PolarHBondContact O-OG 2.55Å; E1000-E1004 PolarHBondContact O-N 2.77Å |
| 1001 | H | 76.2 | Confident | 76.3 | Confident | 125 Ų | 125 | 113.1 Ų | 113.1 | 58% | 0.579 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.9 | -28.4 | 174.3 | 174.5 | -86.2 | 0 | 0 | 0 | 112.3 | M997 K1005 | M997-H1001 VanDerWaalsContact O-CB 3.27Å; M997-H1001 WeakPolarHBondContact O-CB 3.21Å; M997-H1001 PolarHBondContact O-N 3.11Å; H1001-K1005 VanDerWaalsContact O-CB 3.29Å; H1001-K1005 WeakPolarHBondContact O-CB 3.39Å; H1001-K1005 PolarHBondContact O-N 3.15Å |
| 1002 | G | 78 | Confident | 76.3 | Confident | 41 Ų | 41 | 110.7 Ų | 110.7 | 42% | 0.423 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E998 E999 E1000 H1006 | E998-G1002 PolarHBondContact O-N 3.38Å; E999-G1002 WeakPolarHBondContact O-CA 3.32Å; E999-G1002 PolarHBondContact O-N 2.88Å; E1000-G1002 PolarHBondContact O-N 2.82Å; G1002-H1006 PolarHBondContact O-N 2.93Å |
| 1003 | S | 78.6 | Confident | 76.3 | Confident | 75 Ų | 75 | 115.1 Ų | 115.1 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.6 | -43.7 | 178.6 | 76 | 0 | 0 | 0 | 0 | 113.2 | E999 E1000 K1005 H1006 S1007 | E999-S1003 PolarHBondContact O-N 2.64Å; E1000-S1003 WeakPolarHBondContact O-CA 3.1Å; E1000-S1003 WeakPolarHBondContact O-CB 3.14Å; E1000-S1003 PolarHBondContact O-N 2.99Å; E1000-S1003 PolarHBondContact O-OG 2.55Å; S1003-K1005 VanDerWaalsContact C-N 3.32Å; S1003-K1005 PolarHBondContact O-N 3.38Å; S1003-H1006 WeakPolarHBondContact O-CB 3.45Å; S1003-H1006 PolarHBondContact O-N 3.28Å; S1003-H1006 VanDerWaalsContact O-N 3.08Å; S1003-S1007 PolarHBondContact O-N 3.23Å |
| 1004 | E | 76.7 | Confident | 76.3 | Confident | 126 Ų | 126 | 113.4 Ų | 113.4 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.7 | -44 | 176.3 | -70 | -170.7 | 134.1 | 0 | 0 | 111.3 | E1000 H1006 S1007 L1008 | E1000-E1004 PolarHBondContact O-N 2.77Å; E1004-H1006 VanDerWaalsContact C-N 3.27Å; E1004-H1006 PolarHBondContact O-N 2.82Å; E1004-S1007 PolarHBondContact O-N 3.08Å; E1004-L1008 WeakPolarHBondContact O-CB 3.37Å; E1004-L1008 PolarHBondContact O-N 3.49Å |
| 1005 | K | 75.1 | Confident | 76.3 | Confident | 126 Ų | 126 | 109.2 Ų | 109.2 | 55% | 0.548 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -33.4 | 176.3 | -175.1 | 174.8 | -179.4 | 177.3 | 0 | 112.7 | H1001 S1003 N1009 | H1001-K1005 VanDerWaalsContact O-CB 3.29Å; H1001-K1005 WeakPolarHBondContact O-CB 3.39Å; H1001-K1005 PolarHBondContact O-N 3.15Å; S1003-K1005 VanDerWaalsContact C-N 3.32Å; S1003-K1005 PolarHBondContact O-N 3.38Å; K1005-N1009 PolarHBondContact O-N 3.05Å; K1005-N1009 VanDerWaalsContact O-N 3.14Å |
| 1006 | H | 76.1 | Confident | 76.1 | Confident | 134 Ų | 134 | 110 Ų | 110 | 62% | 0.62 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.6 | -45.2 | 175.4 | -159.5 | 54.3 | 0 | 0 | 0 | 110.9 | G1002 S1003 E1004 L1008 N1009 Q1010 | G1002-H1006 PolarHBondContact O-N 2.93Å; S1003-H1006 WeakPolarHBondContact O-CB 3.45Å; S1003-H1006 PolarHBondContact O-N 3.28Å; S1003-H1006 VanDerWaalsContact O-N 3.08Å; E1004-H1006 VanDerWaalsContact C-N 3.27Å; E1004-H1006 PolarHBondContact O-N 2.82Å; H1006-L1008 PolarHBondContact O-N 2.92Å; H1006-N1009 PolarHBondContact O-N 3.23Å; H1006-Q1010 WeakPolarHBondContact O-CB 3.19Å; H1006-Q1010 PolarHBondContact O-N 3.33Å |
| 1007 | S | 79.4 | Confident | 75.9 | Confident | 74 Ų | 74 | 104.8 Ų | 104.8 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 175 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | S1003 E1004 Q1010 R1011 | S1003-S1007 PolarHBondContact O-N 3.23Å; E1004-S1007 PolarHBondContact O-N 3.08Å; S1007-Q1010 PolarHBondContact O-N 3.3Å; S1007-R1011 WeakPolarHBondContact O-CB 3.29Å; S1007-R1011 PolarHBondContact O-N 2.94Å |
| 1008 | L | 74.7 | Confident | 76.1 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -44.3 | 177 | -83 | 164.3 | 0 | 0 | 0 | 112.1 | E1004 H1006 R1011 V1012 | E1004-L1008 WeakPolarHBondContact O-CB 3.37Å; E1004-L1008 PolarHBondContact O-N 3.49Å; H1006-L1008 PolarHBondContact O-N 2.92Å; L1008-R1011 PolarHBondContact O-N 2.79Å; L1008-V1012 WeakPolarHBondContact O-CG2 3.41Å; L1008-V1012 PolarHBondContact O-N 2.92Å |
| 1009 | N | 74.1 | Confident | 76 | Confident | 95 Ų | 95 | 103.2 Ų | 103.2 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 174.4 | -83.3 | 17.9 | 0 | 0 | 0 | 111.5 | K1005 H1006 R1011 V1012 E1013 | K1005-N1009 PolarHBondContact O-N 3.05Å; K1005-N1009 VanDerWaalsContact O-N 3.14Å; H1006-N1009 PolarHBondContact O-N 3.23Å; N1009-R1011 VanDerWaalsContact C-N 3.3Å; N1009-R1011 PolarHBondContact O-N 3.09Å; N1009-V1012 WeakPolarHBondContact O-CB 3.35Å; N1009-V1012 PolarHBondContact O-N 3.17Å; N1009-V1012 VanDerWaalsContact O-N 3.15Å; N1009-E1013 PolarHBondContact O-N 2.86Å |
| 1010 | Q | 76.1 | Confident | 75.9 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 178.8 | -166.7 | 167.8 | 21.2 | 0 | 0 | 111.5 | H1006 S1007 V1012 E1013 E1014 | H1006-Q1010 WeakPolarHBondContact O-CB 3.19Å; H1006-Q1010 PolarHBondContact O-N 3.33Å; S1007-Q1010 PolarHBondContact O-N 3.3Å; Q1010-V1012 VanDerWaalsContact C-N 3.34Å; Q1010-V1012 PolarHBondContact O-N 3.3Å; Q1010-E1013 PolarHBondContact O-N 3.15Å; Q1010-E1014 WeakPolarHBondContact O-CG 3.46Å; Q1010-E1014 PolarHBondContact O-N 3.35Å |
| 1011 | R | 80 | Confident | 76.1 | Confident | 141 Ų | 141 | 101.4 Ų | 101.4 | 53% | 0.532 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69 | -29.3 | 175.3 | -164.6 | 57.9 | 171 | 170.8 | 6.7 | 113.2 | S1007 L1008 N1009 E1014 L1015 | S1007-R1011 WeakPolarHBondContact O-CB 3.29Å; S1007-R1011 PolarHBondContact O-N 2.94Å; L1008-R1011 PolarHBondContact O-N 2.79Å; N1009-R1011 VanDerWaalsContact C-N 3.3Å; N1009-R1011 PolarHBondContact O-N 3.09Å; R1011-E1014 WeakPolarHBondContact CD-OE2 3.42Å; R1011-E1014 IonicContact CZ-OE2 3.91Å; R1011-E1014 IonicContact NE-OE2 3.87Å; R1011-E1014 IonicContact NH1-OE2 2.61Å; R1011-E1014 PolarHBondContact NH1-OE2 3.18Å; R1011-L1015 HydrophobicContact CG-CD1 4.45Å; R1011-L1015 WeakPolarHBondContact O-CB 3.38Å; R1011-L1015 WeakPolarHBondContact O-CD1 3.5Å; R1011-L1015 VanDerWaalsContact O-CG 3.25Å; R1011-L1015 WeakPolarHBondContact O-CG 3.38Å; R1011-L1015 PolarHBondContact O-N 3.21Å |
| 1012 | V | 73.3 | Confident | 76 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70 | -43.8 | 170.7 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | L1008 N1009 Q1010 E1014 L1015 E1016 | L1008-V1012 WeakPolarHBondContact O-CG2 3.41Å; L1008-V1012 PolarHBondContact O-N 2.92Å; N1009-V1012 WeakPolarHBondContact O-CB 3.35Å; N1009-V1012 PolarHBondContact O-N 3.17Å; N1009-V1012 VanDerWaalsContact O-N 3.15Å; Q1010-V1012 VanDerWaalsContact C-N 3.34Å; Q1010-V1012 PolarHBondContact O-N 3.3Å; V1012-E1014 VanDerWaalsContact C-N 3.33Å; V1012-E1014 PolarHBondContact O-N 2.94Å; V1012-L1015 PolarHBondContact O-N 3.24Å; V1012-E1016 HydrophobicContact CG1-CG 4.41Å; V1012-E1016 WeakPolarHBondContact O-CG 3.24Å; V1012-E1016 PolarHBondContact O-N 3.15Å |
| 1013 | E | 75.6 | Confident | 75.8 | Confident | 141 Ų | 141 | 104.9 Ų | 104.9 | 66% | 0.659 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 175.6 | -69.8 | -179 | 163.1 | 0 | 0 | 112 | N1009 Q1010 A1017 | N1009-E1013 PolarHBondContact O-N 2.86Å; Q1010-E1013 PolarHBondContact O-N 3.15Å; E1013-A1017 WeakPolarHBondContact O-CB 3.31Å; E1013-A1017 PolarHBondContact O-N 3.47Å |
| 1014 | E | 78.4 | Confident | 75.6 | Confident | 92 Ų | 92 | 104.2 Ų | 104.2 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 171.1 | -74.2 | 176.9 | 167 | 0 | 0 | 112.2 | Q1010 R1011 V1012 E1016 A1017 E1018 | Q1010-E1014 WeakPolarHBondContact O-CG 3.46Å; Q1010-E1014 PolarHBondContact O-N 3.35Å; R1011-E1014 WeakPolarHBondContact CD-OE2 3.42Å; R1011-E1014 IonicContact CZ-OE2 3.91Å; R1011-E1014 IonicContact NE-OE2 3.87Å; R1011-E1014 IonicContact NH1-OE2 2.61Å; R1011-E1014 PolarHBondContact NH1-OE2 3.18Å; V1012-E1014 VanDerWaalsContact C-N 3.33Å; V1012-E1014 PolarHBondContact O-N 2.94Å; E1014-E1016 PolarHBondContact O-N 3.13Å; E1014-A1017 PolarHBondContact O-N 2.94Å; E1014-E1018 WeakPolarHBondContact O-CB 3.37Å; E1014-E1018 PolarHBondContact O-N 2.85Å |
| 1015 | L | 74.4 | Confident | 75.5 | Confident | 75 Ų | 75 | 104.5 Ų | 104.5 | 39% | 0.393 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.9 | -32.7 | -179.9 | -74.5 | 168.1 | 0 | 0 | 0 | 112.9 | R1011 V1012 N1019 | R1011-L1015 HydrophobicContact CG-CD1 4.45Å; R1011-L1015 WeakPolarHBondContact O-CB 3.38Å; R1011-L1015 WeakPolarHBondContact O-CD1 3.5Å; R1011-L1015 VanDerWaalsContact O-CG 3.25Å; R1011-L1015 WeakPolarHBondContact O-CG 3.38Å; R1011-L1015 PolarHBondContact O-N 3.21Å; V1012-L1015 PolarHBondContact O-N 3.24Å; L1015-N1019 WeakPolarHBondContact O-CB 3.33Å; L1015-N1019 PolarHBondContact O-N 3.15Å; L1015-N1019 PolarHBondContact O-ND2 2.92Å |
| 1016 | E | 71.9 | Confident | 75.5 | Confident | 135 Ų | 135 | 104.9 Ų | 104.9 | 63% | 0.631 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.9 | -38.5 | 173 | -74.6 | -171.3 | 170.8 | 0 | 0 | 111.5 | V1012 E1014 A1020 | V1012-E1016 HydrophobicContact CG1-CG 4.41Å; V1012-E1016 WeakPolarHBondContact O-CG 3.24Å; V1012-E1016 PolarHBondContact O-N 3.15Å; E1014-E1016 PolarHBondContact O-N 3.13Å; E1016-A1020 WeakPolarHBondContact O-CB 3.44Å; E1016-A1020 PolarHBondContact O-N 3.25Å |
| 1017 | A | 76.1 | Confident | 75.4 | Confident | 55 Ų | 55 | 103 Ų | 103 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1013 E1014 A1020 L1021 | E1013-A1017 WeakPolarHBondContact O-CB 3.31Å; E1013-A1017 PolarHBondContact O-N 3.47Å; E1014-A1017 PolarHBondContact O-N 2.94Å; A1017-A1020 WeakPolarHBondContact O-CB 3.19Å; A1017-A1020 PolarHBondContact O-N 3Å; A1017-L1021 PolarHBondContact O-N 3.3Å |
| 1018 | E | 78.2 | Confident | 75.1 | Confident | 105 Ų | 105 | 103 Ų | 103 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 175.8 | -172.1 | 170.4 | -139.4 | 0 | 0 | 111.4 | E1014 A1020 L1021 L1022 | E1014-E1018 WeakPolarHBondContact O-CB 3.37Å; E1014-E1018 PolarHBondContact O-N 2.85Å; E1018-A1020 VanDerWaalsContact C-N 3.33Å; E1018-A1020 PolarHBondContact O-N 3.17Å; E1018-L1021 PolarHBondContact O-N 3.01Å; E1018-L1022 HydrophobicContact CG-CD1 4.16Å; E1018-L1022 WeakPolarHBondContact O-CB 3.3Å; E1018-L1022 WeakPolarHBondContact O-CG 3.44Å; E1018-L1022 PolarHBondContact O-N 3.37Å |
| 1019 | N | 70.6 | Confident | 75 | Confident | 104 Ų | 104 | 102.3 Ų | 102.3 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -36.5 | 171.8 | -87.7 | -88 | 0 | 0 | 0 | 112.6 | L1015 K1023 | L1015-N1019 WeakPolarHBondContact O-CB 3.33Å; L1015-N1019 PolarHBondContact O-N 3.15Å; L1015-N1019 PolarHBondContact O-ND2 2.92Å; N1019-K1023 WeakPolarHBondContact O-CB 3.41Å; N1019-K1023 PolarHBondContact O-N 2.89Å |
| 1020 | A | 74.7 | Confident | 74.5 | Confident | 61 Ų | 61 | 101.1 Ų | 101.1 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | E1016 A1017 E1018 A1024 | E1016-A1020 WeakPolarHBondContact O-CB 3.44Å; E1016-A1020 PolarHBondContact O-N 3.25Å; A1017-A1020 WeakPolarHBondContact O-CB 3.19Å; A1017-A1020 PolarHBondContact O-N 3Å; E1018-A1020 VanDerWaalsContact C-N 3.33Å; E1018-A1020 PolarHBondContact O-N 3.17Å; A1020-A1024 PolarHBondContact O-N 3.11Å |
| 1021 | L | 79.4 | Confident | 74.1 | Confident | 125 Ų | 125 | 104.1 Ų | 104.1 | 65% | 0.654 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -53.1 | 174.8 | -78.5 | 164.3 | 0 | 0 | 0 | 111.9 | A1017 E1018 K1023 A1024 E1025 | A1017-L1021 PolarHBondContact O-N 3.3Å; E1018-L1021 PolarHBondContact O-N 3.01Å; L1021-K1023 PolarHBondContact O-N 2.91Å; L1021-A1024 PolarHBondContact O-N 3.04Å; L1021-A1024 VanDerWaalsContact O-N 3.11Å; L1021-E1025 WeakPolarHBondContact O-CB 2.99Å; L1021-E1025 PolarHBondContact O-N 2.87Å |
| 1022 | L | 74.3 | Confident | 73.6 | Confident | 98 Ų | 98 | 103.6 Ų | 103.6 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.7 | -31.3 | 178.2 | -72.9 | 169.5 | 0 | 0 | 0 | 112.5 | E1018 K1026 | E1018-L1022 HydrophobicContact CG-CD1 4.16Å; E1018-L1022 WeakPolarHBondContact O-CB 3.3Å; E1018-L1022 WeakPolarHBondContact O-CG 3.44Å; E1018-L1022 PolarHBondContact O-N 3.37Å; L1022-K1026 VanDerWaalsContact O-CB 3.25Å; L1022-K1026 WeakPolarHBondContact O-CB 3.47Å; L1022-K1026 PolarHBondContact O-N 3.5Å |
| 1023 | K | 74.3 | Confident | 73.1 | Confident | 142 Ų | 142 | 104.4 Ų | 104.4 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.9 | -42.6 | 175.9 | -165.7 | 173.6 | -170.3 | 175.4 | 0 | 112.4 | N1019 L1021 E1025 K1026 D1027 | N1019-K1023 WeakPolarHBondContact O-CB 3.41Å; N1019-K1023 PolarHBondContact O-N 2.89Å; L1021-K1023 PolarHBondContact O-N 2.91Å; K1023-E1025 VanDerWaalsContact C-N 3.34Å; K1023-K1026 PolarHBondContact O-N 3.32Å; K1023-D1027 PolarHBondContact O-N 2.91Å |
| 1024 | A | 73.8 | Confident | 72.1 | Confident | 61 Ų | 61 | 104.6 Ų | 104.6 | 50% | 0.504 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1020 L1021 D1027 E1028 | A1020-A1024 PolarHBondContact O-N 3.11Å; L1021-A1024 PolarHBondContact O-N 3.04Å; L1021-A1024 VanDerWaalsContact O-N 3.11Å; A1024-D1027 PolarHBondContact O-N 2.72Å; A1024-E1028 WeakPolarHBondContact O-CB 3.48Å; A1024-E1028 PolarHBondContact O-N 3.23Å |
| 1025 | E | 75.6 | Confident | 70.9 | Confident | 132 Ų | 132 | 106.7 Ų | 106.7 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.6 | -40.1 | 176.2 | -169.8 | 166.5 | -127.7 | 0 | 0 | 111.7 | L1021 K1023 E1028 L1029 | L1021-E1025 WeakPolarHBondContact O-CB 2.99Å; L1021-E1025 PolarHBondContact O-N 2.87Å; K1023-E1025 VanDerWaalsContact C-N 3.34Å; E1025-E1028 PolarHBondContact O-N 3.13Å; E1025-L1029 WeakPolarHBondContact O-CB 3.29Å; E1025-L1029 PolarHBondContact O-N 3.22Å |
| 1026 | K | 74.3 | Confident | 69.7 | Low | 134 Ų | 134 | 110 Ų | 110 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 170.3 | 177 | 176.8 | 179.5 | 172.4 | 0 | 112.5 | L1022 K1023 L1029 N1030 | L1022-K1026 VanDerWaalsContact O-CB 3.25Å; L1022-K1026 WeakPolarHBondContact O-CB 3.47Å; L1022-K1026 PolarHBondContact O-N 3.5Å; K1023-K1026 PolarHBondContact O-N 3.32Å; K1026-L1029 PolarHBondContact O-N 3.29Å; K1026-N1030 WeakPolarHBondContact O-CB 3.48Å; K1026-N1030 PolarHBondContact O-N 3.17Å; K1026-N1030 PolarHBondContact O-ND2 3.25Å |
| 1027 | D | 73.5 | Confident | 68.5 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 50% | 0.497 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.4 | -34.2 | -178.9 | -71.3 | -20.5 | 0 | 0 | 0 | 111.7 | K1023 A1024 R1031 | K1023-D1027 PolarHBondContact O-N 2.91Å; A1024-D1027 PolarHBondContact O-N 2.72Å; D1027-R1031 WeakPolarHBondContact O-CB 3.39Å; D1027-R1031 PolarHBondContact O-N 3.06Å; D1027-R1031 VanDerWaalsContact O-N 3.11Å |
| 1028 | E | 74.5 | Confident | 67.2 | Low | 76 Ų | 76 | 113.7 Ų | 113.7 | 36% | 0.355 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.4 | -41.1 | 169 | 175 | 62.5 | -171.6 | 0 | 0 | 112.2 | A1024 E1025 R1031 R1032 | A1024-E1028 WeakPolarHBondContact O-CB 3.48Å; A1024-E1028 PolarHBondContact O-N 3.23Å; E1025-E1028 PolarHBondContact O-N 3.13Å; E1028-R1031 WeakPolarHBondContact O-CB 3.36Å; E1028-R1031 PolarHBondContact O-N 2.89Å; E1028-R1031 VanDerWaalsContact O-N 3.16Å; E1028-R1032 WeakPolarHBondContact O-CG 3.41Å; E1028-R1032 PolarHBondContact O-N 3.48Å; E1028-R1032 IonicContact OE1-CZ 3.67Å; E1028-R1032 IonicContact OE1-NE 3.88Å; E1028-R1032 PolarHBondContact OE1-NE 2.87Å; E1028-R1032 IonicContact OE1-NH2 2.72Å; E1028-R1032 PolarHBondContact OE1-NH2 3Å |
| 1029 | L | 71.9 | Confident | 65.7 | Low | 101 Ų | 101 | 114.8 Ų | 114.8 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65 | -43.6 | 176.6 | -155.6 | 81.2 | 0 | 0 | 0 | 111.3 | E1025 K1026 R1031 R1032 I1033 | E1025-L1029 WeakPolarHBondContact O-CB 3.29Å; E1025-L1029 PolarHBondContact O-N 3.22Å; K1026-L1029 PolarHBondContact O-N 3.29Å; L1029-R1031 PolarHBondContact O-N 2.96Å; L1029-R1032 PolarHBondContact O-N 3.31Å; L1029-R1032 VanDerWaalsContact O-N 3.17Å; L1029-I1033 HydrophobicContact CG-CD1 4.41Å; L1029-I1033 VanDerWaalsContact O-CG1 3.31Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.41Å; L1029-I1033 PolarHBondContact O-N 2.83Å |
| 1030 | N | 63.8 | Low | 64.1 | Low | 70 Ų | 70 | 116.2 Ų | 116.2 | 37% | 0.374 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -55.8 | -40.3 | 171.1 | -80.2 | -32.1 | 0 | 0 | 0 | 111.6 | K1026 I1033 Q1034 | K1026-N1030 WeakPolarHBondContact O-CB 3.48Å; K1026-N1030 PolarHBondContact O-N 3.17Å; K1026-N1030 PolarHBondContact O-ND2 3.25Å; N1030-I1033 PolarHBondContact O-N 3.23Å; N1030-Q1034 WeakPolarHBondContact O-CG 3.44Å; N1030-Q1034 PolarHBondContact O-N 2.79Å |
| 1031 | R | 68.5 | Low | 62.8 | Low | 170 Ų | 170 | 118.2 Ų | 118.2 | 64% | 0.642 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.9 | -40 | 177.9 | -144.9 | 173.6 | -169.3 | 162.2 | 3.1 | 112.2 | D1027 E1028 L1029 Q1034 Q1035 | D1027-R1031 WeakPolarHBondContact O-CB 3.39Å; D1027-R1031 PolarHBondContact O-N 3.06Å; D1027-R1031 VanDerWaalsContact O-N 3.11Å; E1028-R1031 WeakPolarHBondContact O-CB 3.36Å; E1028-R1031 PolarHBondContact O-N 2.89Å; E1028-R1031 VanDerWaalsContact O-N 3.16Å; L1029-R1031 PolarHBondContact O-N 2.96Å; R1031-Q1034 PolarHBondContact O-N 3.45Å; R1031-Q1035 WeakPolarHBondContact O-CG 3.43Å; R1031-Q1035 PolarHBondContact O-N 2.84Å |
| 1032 | R | 68.8 | Low | 60.7 | Low | 131 Ų | 131 | 117.1 Ų | 117.1 | 49% | 0.494 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.9 | -40.8 | 174.7 | -67.9 | 174.6 | -170.1 | -175.4 | 5.5 | 112.1 | E1028 L1029 Q1034 Q1035 Q1036 | E1028-R1032 WeakPolarHBondContact O-CG 3.41Å; E1028-R1032 PolarHBondContact O-N 3.48Å; E1028-R1032 IonicContact OE1-CZ 3.67Å; E1028-R1032 IonicContact OE1-NE 3.88Å; E1028-R1032 PolarHBondContact OE1-NE 2.87Å; E1028-R1032 IonicContact OE1-NH2 2.72Å; E1028-R1032 PolarHBondContact OE1-NH2 3Å; L1029-R1032 PolarHBondContact O-N 3.31Å; L1029-R1032 VanDerWaalsContact O-N 3.17Å; R1032-Q1034 PolarHBondContact O-N 3.36Å; R1032-Q1035 PolarHBondContact O-N 3.25Å; R1032-Q1035 VanDerWaalsContact O-N 3.13Å; R1032-Q1036 WeakPolarHBondContact O-CG 3.33Å; R1032-Q1036 PolarHBondContact O-N 3.48Å |
| 1033 | I | 62.4 | Low | 59.5 | Low | 92 Ų | 92 | 121.8 Ų | 121.8 | 47% | 0.472 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -60.1 | -45.1 | 173.4 | -69 | 163.3 | 0 | 0 | 0 | 110.4 | L1029 N1030 Q1035 Q1036 A1037 | L1029-I1033 HydrophobicContact CG-CD1 4.41Å; L1029-I1033 VanDerWaalsContact O-CG1 3.31Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.41Å; L1029-I1033 PolarHBondContact O-N 2.83Å; N1030-I1033 PolarHBondContact O-N 3.23Å; I1033-Q1035 VanDerWaalsContact C-N 3.28Å; I1033-Q1035 PolarHBondContact O-N 2.82Å; I1033-Q1036 PolarHBondContact O-N 2.97Å; I1033-A1037 WeakPolarHBondContact O-CB 3.44Å; I1033-A1037 PolarHBondContact O-N 3.45Å |
| 1034 | Q | 55.1 | Low | 58.2 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.4 | -24.9 | 175.5 | -74 | -178.6 | -8.4 | 0 | 0 | 114 | N1030 R1031 R1032 | N1030-Q1034 WeakPolarHBondContact O-CG 3.44Å; N1030-Q1034 PolarHBondContact O-N 2.79Å; R1031-Q1034 PolarHBondContact O-N 3.45Å; R1032-Q1034 PolarHBondContact O-N 3.36Å |
| 1035 | Q | 52.9 | Low | 56.8 | Low | 135 Ų | 135 | 125.8 Ų | 125.8 | 63% | 0.631 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -82.5 | -36.2 | 172.4 | -75.4 | -176.2 | -52.6 | 0 | 0 | 112.9 | R1031 R1032 I1033 K1038 | R1031-Q1035 WeakPolarHBondContact O-CG 3.43Å; R1031-Q1035 PolarHBondContact O-N 2.84Å; R1032-Q1035 PolarHBondContact O-N 3.25Å; R1032-Q1035 VanDerWaalsContact O-N 3.13Å; I1033-Q1035 VanDerWaalsContact C-N 3.28Å; I1033-Q1035 PolarHBondContact O-N 2.82Å; Q1035-K1038 PolarHBondContact O-N 3.49Å |
| 1036 | Q | 48.8 | Very low | 55.4 | Low | 145 Ų | 145 | 123.8 Ų | 123.8 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.7 | -36.3 | 174.2 | -73.2 | -177.1 | -63 | 0 | 0 | 111.7 | R1032 I1033 K1038 N1039 | R1032-Q1036 WeakPolarHBondContact O-CG 3.33Å; R1032-Q1036 PolarHBondContact O-N 3.48Å; I1033-Q1036 PolarHBondContact O-N 2.97Å; Q1036-K1038 PolarHBondContact O-N 3.04Å; Q1036-N1039 PolarHBondContact O-N 3.23Å; Q1036-N1039 VanDerWaalsContact O-O 3.09Å |
| 1037 | A | 47.9 | Very low | 54.1 | Low | 86 Ų | 86 | 121 Ų | 121 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -0.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I1033 | I1033-A1037 WeakPolarHBondContact O-CB 3.44Å; I1033-A1037 PolarHBondContact O-N 3.45Å |
| 1038 | K | 48.6 | Very low | 52.9 | Low | 182 Ų | 182 | 120 Ų | 120 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -0.1 | 172.7 | -81.5 | -165.3 | 169.1 | -168.4 | 0 | 114.8 | Q1035 Q1036 | Q1035-K1038 PolarHBondContact O-N 3.49Å; Q1036-K1038 PolarHBondContact O-N 3.04Å |
| 1039 | N | 45.7 | Very low | 52 | Low | 127 Ų | 127 | 121.4 Ų | 121.4 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -138.3 | 133.4 | -179.4 | -83.4 | -36.8 | 0 | 0 | 0 | 112.2 | Q1036 | Q1036-N1039 PolarHBondContact O-N 3.23Å; Q1036-N1039 VanDerWaalsContact O-O 3.09Å |
| 1040 | S | 37.3 | Very low | 51 | Low | 134 Ų | 134 | 122.9 Ų | 122.9 | 94% | 0.937 | 68% | 0.675 | S | S | * | * | trans | 69.6 | 147.9 | -175.7 | 74.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1041 | A | 48 | Very low | 50.8 | Low | 104 Ų | 104 | 123.3 Ų | 123.3 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | trans | -117.3 | 143 | -170 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1042 | A | 35.2 | Very low | 50.4 | Low | 102 Ų | 102 | 121.1 Ų | 121.1 | 84% | 0.843 | 68% | 0.678 | S | S | * | * | trans | -162.2 | 106.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1043 | E | 48.3 | Very low | 50.1 | Low | 196 Ų | 196 | 118.8 Ų | 118.8 | 92% | 0.916 | 68% | 0.675 | S | S | * | * | trans | -79.9 | 125.3 | 163.6 | -63.8 | 176.3 | 119.4 | 0 | 0 | 108.3 | ||||
| 1044 | E | 47.1 | Very low | 50 | Low | 195 Ų | 195 | 118.6 Ų | 118.6 | 91% | 0.911 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 174.2 | -32.8 | 153 | -104.6 | 173.2 | -179 | 0 | 0 | 112.1 | S1046 | E1044-S1046 VanDerWaalsContact C-N 3.28Å; E1044-S1046 PolarHBondContact O-N 2.62Å; E1044-S1046 VanDerWaalsContact O-N 3.11Å |
| 1045 | S | 43.6 | Very low | 50.5 | Low | 92 Ų | 92 | 116.5 Ų | 116.5 | 64% | 0.643 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 1.2 | -168.4 | -164.3 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1046 | S | 46.2 | Very low | 50.9 | Low | 89 Ų | 89 | 116.5 Ų | 116.5 | 62% | 0.622 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.7 | -39.4 | -171.5 | -157.2 | 0 | 0 | 0 | 0 | 113.7 | E1044 S1048 L1049 | E1044-S1046 VanDerWaalsContact C-N 3.28Å; E1044-S1046 PolarHBondContact O-N 2.62Å; E1044-S1046 VanDerWaalsContact O-N 3.11Å; S1046-S1048 VanDerWaalsContact C-N 3.33Å; S1046-S1048 PolarHBondContact O-N 3.26Å; S1046-L1049 PolarHBondContact O-N 2.88Å |
| 1047 | A | 48.1 | Very low | 51.8 | Low | 75 Ų | 75 | 117 Ų | 117 | 62% | 0.62 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.1 | -27 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1051 | A1047-T1051 PolarHBondContact O-OG1 2.89Å |
| 1048 | S | 48.6 | Very low | 52.5 | Low | 73 Ų | 73 | 119.1 Ų | 119.1 | 51% | 0.51 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -75.8 | -27.9 | 179 | -165.6 | 0 | 0 | 0 | 0 | 112.9 | S1046 T1051 E1052 | S1046-S1048 VanDerWaalsContact C-N 3.33Å; S1046-S1048 PolarHBondContact O-N 3.26Å; S1048-T1051 PolarHBondContact O-OG1 3.1Å; S1048-E1052 PolarHBondContact O-N 3.3Å |
| 1049 | L | 54.4 | Low | 53.5 | Low | 106 Ų | 106 | 119 Ų | 119 | 56% | 0.555 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83.2 | -32.7 | -175.3 | -76.5 | 163.4 | 0 | 0 | 0 | 112.3 | S1046 T1051 L1053 | S1046-L1049 PolarHBondContact O-N 2.88Å; L1049-T1051 VanDerWaalsContact C-N 3.29Å; L1049-T1051 PolarHBondContact O-N 2.67Å; L1049-L1053 VanDerWaalsContact O-CB 3.28Å; L1049-L1053 WeakPolarHBondContact O-CB 3.29Å; L1049-L1053 PolarHBondContact O-N 3.49Å |
| 1050 | E | 52.4 | Low | 54.1 | Low | 131 Ų | 131 | 120.6 Ų | 120.6 | 61% | 0.612 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.1 | -30.6 | 172.4 | -69 | -160.4 | 115.2 | 0 | 0 | 112.8 | N1054 | E1050-N1054 WeakPolarHBondContact O-CB 3.16Å; E1050-N1054 PolarHBondContact O-N 3.21Å; E1050-N1054 VanDerWaalsContact O-N 3.17Å; E1050-N1054 PolarHBondContact O-ND2 3.35Å |
| 1051 | T | 59.6 | Low | 55.4 | Low | 80 Ų | 80 | 119.9 Ų | 119.9 | 49% | 0.491 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74 | -40.5 | 177.1 | 31.4 | 0 | 0 | 0 | 0 | 112.1 | A1047 S1048 L1049 Q1055 | A1047-T1051 PolarHBondContact O-OG1 2.89Å; S1048-T1051 PolarHBondContact O-OG1 3.1Å; L1049-T1051 VanDerWaalsContact C-N 3.29Å; L1049-T1051 PolarHBondContact O-N 2.67Å; T1051-Q1055 WeakPolarHBondContact O-CG 3.35Å; T1051-Q1055 PolarHBondContact O-N 3.49Å |
| 1052 | E | 59.8 | Low | 56.2 | Low | 123 Ų | 123 | 118.6 Ų | 118.6 | 58% | 0.575 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.4 | -43.3 | 171.7 | -69.9 | -167.8 | 137.1 | 0 | 0 | 112.5 | S1048 N1054 Q1055 E1056 | S1048-E1052 PolarHBondContact O-N 3.3Å; E1052-N1054 VanDerWaalsContact C-N 3.29Å; E1052-N1054 PolarHBondContact O-N 2.88Å; E1052-Q1055 PolarHBondContact O-N 3.21Å; E1052-Q1055 VanDerWaalsContact O-N 3.15Å; E1052-E1056 PolarHBondContact O-N 3.24Å |
| 1053 | L | 62 | Low | 57.9 | Low | 83 Ų | 83 | 118.6 Ų | 118.6 | 44% | 0.435 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.8 | -36.2 | -180 | -168.3 | 74.4 | 0 | 0 | 0 | 112.4 | L1049 R1057 | L1049-L1053 VanDerWaalsContact O-CB 3.28Å; L1049-L1053 WeakPolarHBondContact O-CB 3.29Å; L1049-L1053 PolarHBondContact O-N 3.49Å; L1053-R1057 VanDerWaalsContact O-CG 3.27Å; L1053-R1057 WeakPolarHBondContact O-CG 3.33Å; L1053-R1057 PolarHBondContact O-N 2.9Å; L1053-R1057 VanDerWaalsContact O-N 3.12Å |
| 1054 | N | 60.6 | Low | 58.7 | Low | 87 Ų | 87 | 114.2 Ų | 114.2 | 47% | 0.465 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.6 | -36.2 | 175.3 | -76.1 | -47.2 | 0 | 0 | 0 | 112.5 | E1050 E1052 R1057 E1058 | E1050-N1054 WeakPolarHBondContact O-CB 3.16Å; E1050-N1054 PolarHBondContact O-N 3.21Å; E1050-N1054 VanDerWaalsContact O-N 3.17Å; E1050-N1054 PolarHBondContact O-ND2 3.35Å; E1052-N1054 VanDerWaalsContact C-N 3.29Å; E1052-N1054 PolarHBondContact O-N 2.88Å; N1054-R1057 PolarHBondContact O-N 3.41Å; N1054-E1058 PolarHBondContact O-N 2.87Å |
| 1055 | Q | 66.4 | Low | 59.4 | Low | 102 Ų | 102 | 110.5 Ų | 110.5 | 48% | 0.477 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.4 | -37.7 | 171.7 | -72.5 | -178.9 | 37.4 | 0 | 0 | 112.4 | T1051 E1052 E1058 R1059 | T1051-Q1055 WeakPolarHBondContact O-CG 3.35Å; T1051-Q1055 PolarHBondContact O-N 3.49Å; E1052-Q1055 PolarHBondContact O-N 3.21Å; E1052-Q1055 VanDerWaalsContact O-N 3.15Å; Q1055-E1058 PolarHBondContact O-N 3.3Å; Q1055-R1059 WeakPolarHBondContact O-CG 3.17Å; Q1055-R1059 PolarHBondContact O-N 3.08Å |
| 1056 | E | 60.6 | Low | 60.4 | Low | 134 Ų | 134 | 112.3 Ų | 112.3 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67 | -38.6 | 175.3 | -163.9 | -180 | -130.7 | 0 | 0 | 111.6 | E1052 E1058 R1059 Y1060 | E1052-E1056 PolarHBondContact O-N 3.24Å; E1056-E1058 PolarHBondContact O-N 3.12Å; E1056-R1059 PolarHBondContact O-N 2.94Å; E1056-Y1060 PolarHBondContact O-N 3.47Å |
| 1057 | R | 67 | Low | 61.4 | Low | 155 Ų | 155 | 114.5 Ų | 114.5 | 59% | 0.585 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62 | -40 | 173 | -73.8 | 168.6 | 175.2 | -171 | -1.2 | 112.8 | L1053 N1054 Y1060 Q1061 | L1053-R1057 VanDerWaalsContact O-CG 3.27Å; L1053-R1057 WeakPolarHBondContact O-CG 3.33Å; L1053-R1057 PolarHBondContact O-N 2.9Å; L1053-R1057 VanDerWaalsContact O-N 3.12Å; N1054-R1057 PolarHBondContact O-N 3.41Å; R1057-Y1060 PolarHBondContact O-N 3.26Å; R1057-Q1061 PolarHBondContact O-N 3.39Å |
| 1058 | E | 62.7 | Low | 61.8 | Low | 132 Ų | 132 | 114 Ų | 114 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 171.9 | -77.9 | -156.8 | 118.1 | 0 | 0 | 112.2 | N1054 Q1055 E1056 Y1060 Q1061 N1062 | N1054-E1058 PolarHBondContact O-N 2.87Å; Q1055-E1058 PolarHBondContact O-N 3.3Å; E1056-E1058 PolarHBondContact O-N 3.12Å; E1058-Y1060 VanDerWaalsContact C-N 3.3Å; E1058-Y1060 PolarHBondContact O-N 2.95Å; E1058-Q1061 PolarHBondContact O-N 3.36Å; E1058-N1062 WeakPolarHBondContact O-CB 3.39Å; E1058-N1062 VanDerWaalsContact O-CG 3.31Å; E1058-N1062 PolarHBondContact O-N 2.88Å; E1058-N1062 PolarHBondContact O-ND2 3.21Å |
| 1059 | R | 69.4 | Low | 62.6 | Low | 178 Ų | 178 | 119.8 Ų | 119.8 | 67% | 0.672 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.6 | -42.6 | 175 | -72 | 175.9 | -173.9 | -171.1 | 5.3 | 111.3 | Q1055 E1056 N1062 L1063 | Q1055-R1059 WeakPolarHBondContact O-CG 3.17Å; Q1055-R1059 PolarHBondContact O-N 3.08Å; E1056-R1059 PolarHBondContact O-N 2.94Å; R1059-N1062 PolarHBondContact O-N 3.4Å; R1059-L1063 WeakPolarHBondContact O-CB 3.24Å; R1059-L1063 PolarHBondContact O-N 2.83Å |
| 1060 | Y | 59.1 | Low | 63.1 | Low | 161 Ų | 161 | 120.2 Ų | 120.2 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.5 | -39.9 | 178.3 | -149.1 | -87.4 | 0 | 0 | 0 | 112.5 | E1056 R1057 E1058 L1064 | E1056-Y1060 PolarHBondContact O-N 3.47Å; R1057-Y1060 PolarHBondContact O-N 3.26Å; E1058-Y1060 VanDerWaalsContact C-N 3.3Å; E1058-Y1060 PolarHBondContact O-N 2.95Å; Y1060-L1064 HydrophobicContact CD1-CD1 3.9Å; Y1060-L1064 HydrophobicContact CD1-CG 4.41Å; Y1060-L1064 HydrophobicContact CE1-CD1 4.12Å; Y1060-L1064 HydrophobicContact CE1-CG 4.5Å; Y1060-L1064 WeakPolarHBondContact O-CG 3.47Å; Y1060-L1064 PolarHBondContact O-N 3.4Å; Y1060-L1064 VanDerWaalsContact O-N 3.09Å |
| 1061 | Q | 63.5 | Low | 63.4 | Low | 119 Ų | 119 | 119.8 Ų | 119.8 | 56% | 0.556 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.3 | -39 | 171.8 | -79.6 | -159.5 | 8.1 | 0 | 0 | 112.8 | R1057 E1058 L1064 K1065 | R1057-Q1061 PolarHBondContact O-N 3.39Å; E1058-Q1061 PolarHBondContact O-N 3.36Å; Q1061-L1064 PolarHBondContact O-N 3.22Å; Q1061-K1065 WeakPolarHBondContact O-CG 3.4Å; Q1061-K1065 PolarHBondContact O-N 2.89Å |
| 1062 | N | 66.3 | Low | 63.5 | Low | 77 Ų | 77 | 121.1 Ų | 121.1 | 41% | 0.412 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.4 | -38.3 | 179.5 | -71 | -26 | 0 | 0 | 0 | 111.4 | E1058 R1059 L1064 K1065 E1066 | E1058-N1062 WeakPolarHBondContact O-CB 3.39Å; E1058-N1062 VanDerWaalsContact O-CG 3.31Å; E1058-N1062 PolarHBondContact O-N 2.88Å; E1058-N1062 PolarHBondContact O-ND2 3.21Å; R1059-N1062 PolarHBondContact O-N 3.4Å; N1062-L1064 VanDerWaalsContact C-N 3.33Å; N1062-L1064 PolarHBondContact O-N 3.32Å; N1062-K1065 WeakPolarHBondContact O-CB 3.2Å; N1062-K1065 PolarHBondContact O-N 2.83Å; N1062-K1065 VanDerWaalsContact O-N 3.14Å; N1062-K1065 PolarHBondContact OD1-NZ 3.15Å; N1062-E1066 PolarHBondContact O-N 3.27Å |
| 1063 | L | 70.8 | Confident | 63.6 | Low | 103 Ų | 103 | 123.9 Ų | 123.9 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61 | -40.1 | 172.2 | -169 | 66.5 | 0 | 0 | 0 | 112 | R1059 E1066 F1067 | R1059-L1063 WeakPolarHBondContact O-CB 3.24Å; R1059-L1063 PolarHBondContact O-N 2.83Å; L1063-E1066 PolarHBondContact O-N 2.85Å; L1063-F1067 PolarHBondContact O-N 2.78Å |
| 1064 | L | 64.2 | Low | 63.5 | Low | 104 Ų | 104 | 127.4 Ų | 127.4 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.3 | -38.5 | 172.9 | -75.9 | 165.7 | 0 | 0 | 0 | 112.8 | Y1060 Q1061 N1062 F1067 S1068 | Y1060-L1064 HydrophobicContact CD1-CD1 3.9Å; Y1060-L1064 HydrophobicContact CD1-CG 4.41Å; Y1060-L1064 HydrophobicContact CE1-CD1 4.12Å; Y1060-L1064 HydrophobicContact CE1-CG 4.5Å; Y1060-L1064 WeakPolarHBondContact O-CG 3.47Å; Y1060-L1064 PolarHBondContact O-N 3.4Å; Y1060-L1064 VanDerWaalsContact O-N 3.09Å; Q1061-L1064 PolarHBondContact O-N 3.22Å; N1062-L1064 VanDerWaalsContact C-N 3.33Å; N1062-L1064 PolarHBondContact O-N 3.32Å; L1064-F1067 PolarHBondContact O-N 2.74Å; L1064-S1068 PolarHBondContact O-N 2.56Å; L1064-S1068 VanDerWaalsContact O-N 3.07Å |
| 1065 | K | 63 | Low | 63.3 | Low | 117 Ų | 117 | 127 Ų | 127 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.7 | -36.7 | 174.1 | -70.5 | 165.8 | -168.3 | 160.4 | 0 | 112 | Q1061 N1062 R1069 | Q1061-K1065 WeakPolarHBondContact O-CG 3.4Å; Q1061-K1065 PolarHBondContact O-N 2.89Å; N1062-K1065 WeakPolarHBondContact O-CB 3.2Å; N1062-K1065 PolarHBondContact O-N 2.83Å; N1062-K1065 VanDerWaalsContact O-N 3.14Å; N1062-K1065 PolarHBondContact OD1-NZ 3.15Å; K1065-R1069 WeakPolarHBondContact O-CB 3.23Å; K1065-R1069 PolarHBondContact O-N 2.64Å; K1065-R1069 VanDerWaalsContact O-N 3.07Å |
| 1066 | E | 64.9 | Low | 63.2 | Low | 130 Ų | 130 | 126.3 Ų | 126.3 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69 | -41.9 | 173.9 | -70.5 | -159.3 | 138.9 | 0 | 0 | 112 | N1062 L1063 S1068 R1069 L1070 | N1062-E1066 PolarHBondContact O-N 3.27Å; L1063-E1066 PolarHBondContact O-N 2.85Å; E1066-S1068 PolarHBondContact O-N 3.3Å; E1066-R1069 CarbonylContact O-C 3.57Å; E1066-R1069 WeakPolarHBondContact O-CB 3.13Å; E1066-R1069 PolarHBondContact O-N 3.41Å; E1066-L1070 PolarHBondContact O-N 3.05Å |
| 1067 | F | 65.3 | Low | 63 | Low | 135 Ų | 135 | 124.3 Ų | 124.3 | 59% | 0.592 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.1 | -45.3 | 176.9 | -142.9 | -83.4 | 0 | 0 | 0 | 111.8 | L1063 L1064 R1069 L1070 E1071 | L1063-F1067 PolarHBondContact O-N 2.78Å; L1064-F1067 PolarHBondContact O-N 2.74Å; F1067-R1069 PolarHBondContact O-N 3.21Å; F1067-L1070 WeakPolarHBondContact O-CA 3.41Å; F1067-L1070 WeakPolarHBondContact O-CB 3.21Å; F1067-L1070 PolarHBondContact O-N 3.02Å; F1067-E1071 PolarHBondContact O-N 3.02Å |
| 1068 | S | 56.9 | Low | 62.2 | Low | 64 Ų | 64 | 122.3 Ų | 122.3 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.7 | -36.1 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | L1064 E1066 L1070 L1072 | L1064-S1068 PolarHBondContact O-N 2.56Å; L1064-S1068 VanDerWaalsContact O-N 3.07Å; E1066-S1068 PolarHBondContact O-N 3.3Å; S1068-L1070 VanDerWaalsContact C-N 3.28Å; S1068-L1070 PolarHBondContact O-N 3.49Å; S1068-L1072 PolarHBondContact O-N 3.42Å; S1068-L1072 VanDerWaalsContact O-N 3.1Å |
| 1069 | R | 65.6 | Low | 61.5 | Low | 194 Ų | 194 | 122.2 Ų | 122.2 | 73% | 0.732 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.6 | -29.2 | 169.8 | -88 | -179.6 | 164 | 178.4 | -3.5 | 113 | K1065 E1066 F1067 R1073 | K1065-R1069 WeakPolarHBondContact O-CB 3.23Å; K1065-R1069 PolarHBondContact O-N 2.64Å; K1065-R1069 VanDerWaalsContact O-N 3.07Å; E1066-R1069 CarbonylContact O-C 3.57Å; E1066-R1069 WeakPolarHBondContact O-CB 3.13Å; E1066-R1069 PolarHBondContact O-N 3.41Å; F1067-R1069 PolarHBondContact O-N 3.21Å; R1069-R1073 WeakPolarHBondContact O-CB 3.22Å; R1069-R1073 PolarHBondContact O-N 3.35Å |
| 1070 | L | 65.1 | Low | 60.4 | Low | 116 Ų | 116 | 119.9 Ų | 119.9 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -75.5 | -41.4 | 178.6 | -141.7 | 74.4 | 0 | 0 | 0 | 111.5 | E1066 F1067 S1068 R1073 Y1074 | E1066-L1070 PolarHBondContact O-N 3.05Å; F1067-L1070 WeakPolarHBondContact O-CA 3.41Å; F1067-L1070 WeakPolarHBondContact O-CB 3.21Å; F1067-L1070 PolarHBondContact O-N 3.02Å; S1068-L1070 VanDerWaalsContact C-N 3.28Å; S1068-L1070 PolarHBondContact O-N 3.49Å; L1070-R1073 PolarHBondContact O-N 3.07Å; L1070-Y1074 WeakPolarHBondContact O-CB 3.28Å; L1070-Y1074 PolarHBondContact O-N 3.29Å |
| 1071 | E | 59.9 | Low | 59.8 | Low | 122 Ų | 122 | 119.6 Ų | 119.6 | 57% | 0.57 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.8 | -49 | 170.4 | -74.2 | -175.6 | 127.5 | 0 | 0 | 111.5 | F1067 R1073 Y1074 D1075 | F1067-E1071 PolarHBondContact O-N 3.02Å; E1071-R1073 VanDerWaalsContact C-N 3.29Å; E1071-R1073 PolarHBondContact O-N 2.89Å; E1071-Y1074 WeakPolarHBondContact O-CB 3.06Å; E1071-Y1074 PolarHBondContact O-N 3.39Å; E1071-D1075 PolarHBondContact O-N 2.93Å |
| 1072 | L | 60.9 | Low | 58.8 | Low | 107 Ų | 107 | 118 Ų | 118 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.9 | -36.2 | 176.1 | -99.7 | 156.6 | 0 | 0 | 0 | 113 | S1068 N1076 | S1068-L1072 PolarHBondContact O-N 3.42Å; S1068-L1072 VanDerWaalsContact O-N 3.1Å; L1072-N1076 VanDerWaalsContact O-CB 3.31Å; L1072-N1076 WeakPolarHBondContact O-CB 3.33Å; L1072-N1076 PolarHBondContact O-N 3.38Å; L1072-N1076 VanDerWaalsContact O-N 3.11Å; L1072-N1076 PolarHBondContact O-OD1 2.93Å |
| 1073 | R | 61 | Low | 57.6 | Low | 182 Ų | 182 | 121.6 Ų | 121.6 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69 | -38.3 | 171.6 | -89.9 | -175.3 | 164.3 | -178 | -4.2 | 112.8 | R1069 L1070 E1071 L1077 | R1069-R1073 WeakPolarHBondContact O-CB 3.22Å; R1069-R1073 PolarHBondContact O-N 3.35Å; L1070-R1073 PolarHBondContact O-N 3.07Å; E1071-R1073 VanDerWaalsContact C-N 3.29Å; E1071-R1073 PolarHBondContact O-N 2.89Å; R1073-L1077 WeakPolarHBondContact O-CB 3.49Å; R1073-L1077 WeakPolarHBondContact O-CG 3.44Å; R1073-L1077 PolarHBondContact O-N 2.89Å |
| 1074 | Y | 60.3 | Low | 55.8 | Low | 156 Ų | 156 | 121 Ų | 121 | 61% | 0.612 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.7 | -43.6 | -179 | -179.9 | -106.3 | 0 | 0 | 0 | 111.9 | L1070 E1071 K1078 | L1070-Y1074 WeakPolarHBondContact O-CB 3.28Å; L1070-Y1074 PolarHBondContact O-N 3.29Å; E1071-Y1074 WeakPolarHBondContact O-CB 3.06Å; E1071-Y1074 PolarHBondContact O-N 3.39Å; Y1074-K1078 PolarHBondContact O-N 2.78Å |
| 1075 | D | 57 | Low | 54.3 | Low | 79 Ų | 79 | 125.4 Ų | 125.4 | 42% | 0.422 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.7 | -36.6 | 175.8 | -77.1 | -29.9 | 0 | 0 | 0 | 112.3 | E1071 L1077 K1078 E1079 | E1071-D1075 PolarHBondContact O-N 2.93Å; D1075-L1077 PolarHBondContact O-N 3.17Å; D1075-K1078 WeakPolarHBondContact O-CA 3.38Å; D1075-K1078 WeakPolarHBondContact O-CB 3.1Å; D1075-K1078 PolarHBondContact O-N 2.85Å; D1075-K1078 VanDerWaalsContact O-N 3.1Å; D1075-K1078 VanDerWaalsContact OD1-CD 3.28Å; D1075-K1078 WeakPolarHBondContact OD1-CD 3.37Å; D1075-K1078 IonicContact OD1-NZ 3.69Å; D1075-K1078 PolarHBondContact OD1-NZ 3.02Å; D1075-E1079 PolarHBondContact O-N 3.39Å |
| 1076 | N | 63.1 | Low | 52.7 | Low | 88 Ų | 88 | 128.4 Ų | 128.4 | 47% | 0.471 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60.5 | -43.2 | 171.3 | -73.4 | 5.1 | 0 | 0 | 0 | 112.5 | L1072 K1078 E1079 E1080 | L1072-N1076 VanDerWaalsContact O-CB 3.31Å; L1072-N1076 WeakPolarHBondContact O-CB 3.33Å; L1072-N1076 PolarHBondContact O-N 3.38Å; L1072-N1076 VanDerWaalsContact O-N 3.11Å; L1072-N1076 PolarHBondContact O-OD1 2.93Å; N1076-K1078 PolarHBondContact O-N 3.46Å; N1076-E1079 PolarHBondContact O-N 2.89Å; N1076-E1079 VanDerWaalsContact O-N 3.17Å; N1076-E1080 PolarHBondContact O-N 3.13Å |
| 1077 | L | 56.7 | Low | 51.1 | Low | 92 Ų | 92 | 129.5 Ų | 129.5 | 48% | 0.482 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.5 | -27.5 | 175.3 | -86 | 162.8 | 0 | 0 | 0 | 113 | R1073 D1075 M1081 | R1073-L1077 WeakPolarHBondContact O-CB 3.49Å; R1073-L1077 WeakPolarHBondContact O-CG 3.44Å; R1073-L1077 PolarHBondContact O-N 2.89Å; D1075-L1077 PolarHBondContact O-N 3.17Å; L1077-M1081 WeakPolarHBondContact O-CB 3.35Å; L1077-M1081 WeakPolarHBondContact O-CG 3.49Å; L1077-M1081 PolarHBondContact O-N 3.07Å |
| 1078 | K | 51.1 | Low | 50.3 | Low | 113 Ų | 113 | 128.7 Ų | 128.7 | 49% | 0.491 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.7 | -42.2 | 173.7 | -129 | 175.1 | -171.3 | 174.6 | 0 | 111.2 | Y1074 D1075 N1076 A1082 | Y1074-K1078 PolarHBondContact O-N 2.78Å; D1075-K1078 WeakPolarHBondContact O-CA 3.38Å; D1075-K1078 WeakPolarHBondContact O-CB 3.1Å; D1075-K1078 PolarHBondContact O-N 2.85Å; D1075-K1078 VanDerWaalsContact O-N 3.1Å; D1075-K1078 VanDerWaalsContact OD1-CD 3.28Å; D1075-K1078 WeakPolarHBondContact OD1-CD 3.37Å; D1075-K1078 IonicContact OD1-NZ 3.69Å; D1075-K1078 PolarHBondContact OD1-NZ 3.02Å; N1076-K1078 PolarHBondContact O-N 3.46Å; K1078-A1082 PolarHBondContact O-N 3.48Å; K1078-A1082 VanDerWaalsContact O-N 3.12Å |
| 1079 | E | 47.2 | Very low | 48.8 | Very low | 129 Ų | 129 | 129 Ų | 129 | 60% | 0.603 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.9 | -40.6 | 176.2 | -66.2 | -167.1 | 150.4 | 0 | 0 | 111.5 | D1075 N1076 M1081 A1082 L1083 | D1075-E1079 PolarHBondContact O-N 3.39Å; N1076-E1079 PolarHBondContact O-N 2.89Å; N1076-E1079 VanDerWaalsContact O-N 3.17Å; E1079-M1081 PolarHBondContact O-N 2.8Å; E1079-A1082 WeakPolarHBondContact O-CB 3.22Å; E1079-A1082 PolarHBondContact O-N 2.94Å; E1079-L1083 WeakPolarHBondContact O-CG 3.26Å; E1079-L1083 PolarHBondContact O-N 3.47Å |
| 1080 | E | 46.6 | Very low | 47.2 | Very low | 129 Ų | 129 | 128 Ų | 128 | 60% | 0.603 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -59.9 | -42.2 | 172.4 | -74.3 | -171.9 | 137.2 | 0 | 0 | 112.2 | N1076 A1082 L1083 | N1076-E1080 PolarHBondContact O-N 3.13Å; E1080-A1082 VanDerWaalsContact C-N 3.27Å; E1080-A1082 PolarHBondContact O-N 3.33Å; E1080-L1083 PolarHBondContact O-N 2.83Å |
| 1081 | M | 45.6 | Very low | 45.4 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 77% | 0.768 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.5 | -21 | 173.9 | -80.1 | -164.4 | -79.6 | 0 | 0 | 113.9 | L1077 E1079 | L1077-M1081 WeakPolarHBondContact O-CB 3.35Å; L1077-M1081 WeakPolarHBondContact O-CG 3.49Å; L1077-M1081 PolarHBondContact O-N 3.07Å; E1079-M1081 PolarHBondContact O-N 2.8Å |
| 1082 | A | 44.4 | Very low | 43.9 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -82.6 | -24.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1078 E1079 E1080 | K1078-A1082 PolarHBondContact O-N 3.48Å; K1078-A1082 VanDerWaalsContact O-N 3.12Å; E1079-A1082 WeakPolarHBondContact O-CB 3.22Å; E1079-A1082 PolarHBondContact O-N 2.94Å; E1080-A1082 VanDerWaalsContact C-N 3.27Å; E1080-A1082 PolarHBondContact O-N 3.33Å |
| 1083 | L | 39.7 | Very low | 42.4 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -91.2 | -9.8 | -174.4 | -77.1 | 165.1 | 0 | 0 | 0 | 114.9 | E1079 E1080 | E1079-L1083 WeakPolarHBondContact O-CG 3.26Å; E1079-L1083 PolarHBondContact O-N 3.47Å; E1080-L1083 PolarHBondContact O-N 2.83Å |
| 1084 | S | 34.3 | Very low | 41.3 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 69% | 0.686 | S | S | * | * | trans | -118.3 | 72 | -169.8 | -168.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1085 | K | 32.7 | Very low | 39.9 | Very low | 198 Ų | 198 | 131.6 Ų | 131.6 | 86% | 0.861 | 69% | 0.691 | S | S | * | * | trans | -177.5 | 105.6 | 148.9 | -104.6 | 153.7 | -172.5 | 171.6 | 0 | 115.9 | ||||
| 1086 | F | 29.2 | Very low | 38.6 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | 169.2 | 144.9 | 147.1 | -106.7 | -139 | 0 | 0 | 0 | 105.3 | ||||
| 1087 | Q | 29.6 | Very low | 36.9 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | cis | -157.3 | -152.6 | 12.4 | -135.8 | -178.6 | 13.1 | 0 | 0 | 108.7 | ||||
| 1088 | P | 48.7 | Very low | 35.6 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | -115.6 | -179.7 | -84.8 | 28.1 | -6.6 | 0 | 0 | 0 | 116.5 | |||||
| 1089 | G | 27.2 | Very low | 34.7 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | -178.7 | 104.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1090 | H | 30.4 | Very low | 33.9 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | 53.1 | 117.6 | 148.6 | -69.7 | -69.4 | 0 | 0 | 0 | 127.8 | ||||
| 1091 | H | 27.5 | Very low | 33.8 | Very low | 150 Ų | 150 | 146 Ų | 146 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | 77.6 | 123.2 | 123.6 | -77.2 | -30.9 | 0 | 0 | 0 | 128.4 | |||||
| 1092 | R | 29.6 | Very low | 33.2 | Very low | 230 Ų | 230 | 144.6 Ų | 144.6 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | 87.1 | 141.3 | 134.7 | -74.6 | -177.1 | 174 | -175.1 | -1.4 | 122.5 | ||||
| 1093 | N | 28.9 | Very low | 33 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -90 | 163.5 | 178.7 | -58.2 | -6.9 | 0 | 0 | 0 | 112.8 | ||||
| 1094 | P | 37.5 | Very low | 32.8 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | -155.7 | 158.2 | 93.8 | 41.3 | -22.9 | 0 | 0 | 0 | 119.4 | |||||
| 1095 | S | 30.8 | Very low | 32.7 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 44 | 129.2 | 144.7 | 64.5 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1096 | N | 30.6 | Very low | 32.5 | Very low | 148 Ų | 148 | 150 Ų | 150 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | 64.2 | 107 | 140 | -75.5 | 19.4 | 0 | 0 | 0 | 124.4 | ||||
| 1097 | Q | 27.3 | Very low | 33.3 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | 64.4 | 86.2 | 118.3 | -160.9 | 178.9 | 20.4 | 0 | 0 | 121.1 | |||||
| 1098 | S | 28.6 | Very low | 33.3 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -153.4 | 171.3 | 136.1 | 74.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1099 | S | 31.6 | Very low | 32.6 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -101.1 | 133.7 | -172.7 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1100 | L | 31 | Very low | 32.7 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | trans | -179.8 | 132 | 144.7 | -99.2 | 158.9 | 0 | 0 | 0 | 108 | ||||
| 1101 | E | 45.5 | Very low | 32.4 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -108.3 | 137.3 | -165.9 | -63.5 | 176 | 121.5 | 0 | 0 | 113.3 | ||||
| 1102 | S | 31.9 | Very low | 32.4 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -167.3 | 152.7 | 166.4 | -75.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1103 | D | 40.5 | Very low | 32.3 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -79.7 | 156.9 | -161 | -54.1 | -81.8 | 0 | 0 | 0 | 118.8 | ||||
| 1104 | S | 34.8 | Very low | 32.3 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 177.9 | 146.4 | 136.4 | 38.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1105 | N | 32.6 | Very low | 31.8 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | 20.4 | 135.1 | 148.8 | -75.9 | -20.5 | 0 | 0 | 0 | 127 | ||||
| 1106 | Y | 28.8 | Very low | 31.7 | Very low | 216 Ų | 216 | 138.2 Ų | 138.2 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | 42 | 164.4 | 125.8 | -87.4 | -116 | 0 | 0 | 0 | 122.7 | |||||
| 1107 | P | 47.1 | Very low | 31.7 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | cis | -146.2 | 174.6 | -45 | 43 | -24.9 | 0 | 0 | 0 | 117.5 | ||||
| 1108 | S | 28.2 | Very low | 31.9 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | 70.2 | 159.8 | 148.5 | 80.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1109 | V | 33.8 | Very low | 32 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | cis | -166.3 | 153.7 | -20.7 | 131.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1110 | S | 29.1 | Very low | 31.9 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | 62.8 | 133.9 | 158.5 | -78.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1111 | M | 24.1 | Very low | 31.7 | Very low | 170 Ų | 170 | 136 Ų | 136 | 84% | 0.837 | 78% | 0.776 | S | S | * | * | -146.6 | 176.5 | 118 | -78.2 | -59.8 | -82.3 | 0 | 0 | 106.5 | |||||
| 1112 | S | 28.1 | Very low | 31 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | cis | -151.5 | 164.7 | 6.8 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1113 | E | 27.8 | Very low | 30.9 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | 55.8 | 125.2 | 131.8 | -69.9 | 156.8 | 167.1 | 0 | 0 | 123.4 | ||||
| 1114 | V | 28 | Very low | 30.5 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | 61.5 | 117.5 | 98.9 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1115 | G | 26.9 | Very low | 30.1 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | 99.6 | 140.5 | 62.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1116 | D | 29.9 | Very low | 30 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | cis | -158.2 | 170.5 | 9.1 | -150.3 | -14.7 | 0 | 0 | 0 | 111.7 | ||||
| 1117 | T | 31 | Very low | 29.9 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | trans | 51.3 | 131.8 | 159.1 | 51.1 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1118 | E | 30.7 | Very low | 29.2 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | 87.6 | 133.8 | 132.9 | -75.2 | -178 | 173.8 | 0 | 0 | 126.6 | ||||
| 1119 | D | 30.8 | Very low | 29.3 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 49 | 120.9 | 149.7 | -96.7 | -22.1 | 0 | 0 | 0 | 128.2 | ||||
| 1120 | S | 29.7 | Very low | 29.5 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | 49.1 | 152.7 | 113.6 | -61 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1121 | I | 27.4 | Very low | 30.1 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -98.2 | 126.1 | -178.5 | -64.6 | 166.2 | 0 | 0 | 0 | 112.1 | ||||
| 1122 | Q | 30.4 | Very low | 30.9 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -121.8 | 114.4 | 145.8 | -74 | -173 | -4.9 | 0 | 0 | 106.5 | ||||
| 1123 | L | 29.2 | Very low | 31.7 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | 80.3 | 98.8 | 82.9 | -84.4 | 171.6 | 0 | 0 | 0 | 114 | |||||
| 1124 | V | 31.7 | Very low | 32.6 | Very low | 126 Ų | 126 | 139 Ų | 139 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | 53.2 | 116.7 | 144.2 | -177.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1125 | D | 27.7 | Very low | 33.8 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | -143.4 | 173.5 | 124.5 | -133 | -18.9 | 0 | 0 | 0 | 112.2 | |||||
| 1126 | E | 29.2 | Very low | 34.9 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -73.5 | 170.2 | -151.4 | -57 | -170.4 | 119.5 | 0 | 0 | 120.4 | ||||
| 1127 | M | 26.7 | Very low | 36 | Very low | 182 Ų | 182 | 137 Ų | 137 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | 72.6 | 133.3 | 155.3 | -70.8 | 177.9 | 65.8 | 0 | 0 | 121.5 | ||||
| 1128 | G | 31.9 | Very low | 37.4 | Very low | 69 Ų | 69 | 136.6 Ų | 136.6 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | 115.5 | 55.8 | 128.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1129 | V | 31.9 | Very low | 38.9 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | trans | 34.6 | 123.3 | 134.8 | -177.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1130 | E | 36.7 | Very low | 40.4 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | 94.8 | 142.6 | 151.6 | -92.1 | -176.2 | -137.2 | 0 | 0 | 123.7 | ||||
| 1131 | K | 43.4 | Very low | 42.2 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 69.2 | 55.6 | 160 | -69.4 | 174.8 | -173.4 | 160.4 | 0 | 120.8 | ||
| 1132 | A | 38.9 | Very low | 43.8 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | trans | -137.2 | 19.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1134 | A1132-M1134 PolarHBondContact O-N 2.98Š| ||
| 1133 | A | 46.9 | Very low | 45.2 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | trans | -92.3 | 72 | -163.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1134 | M | 44.9 | Very low | 46.9 | Very low | 187 Ų | 187 | 127.3 Ų | 127.3 | 92% | 0.921 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -168.2 | 59.4 | 157.6 | -113.6 | 176.1 | -154.2 | 0 | 0 | 115.9 | A1132 | A1132-M1134 PolarHBondContact O-N 2.98Š|
| 1135 | D | 53.5 | Low | 48.7 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 59% | 0.588 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -161.4 | -29 | 150.2 | -129.1 | -26.4 | 0 | 0 | 0 | 116.4 | S1137 L1138 F1139 | D1135-S1137 PolarHBondContact O-N 3.14Å; D1135-L1138 WeakPolarHBondContact O-CB 3.4Å; D1135-L1138 PolarHBondContact O-N 3.24Å; D1135-F1139 PolarHBondContact O-N 3.24Å |
| 1136 | I | 49.9 | Very low | 50.6 | Low | 133 Ų | 133 | 123.8 Ų | 123.8 | 68% | 0.682 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -54.9 | -31.7 | -173.5 | -65.6 | 170.5 | 0 | 0 | 0 | 113.5 | L1138 M1140 | I1136-L1138 VanDerWaalsContact C-N 3.34Å; I1136-L1138 PolarHBondContact O-N 3.09Å; I1136-M1140 PolarHBondContact O-N 3.4Å |
| 1137 | S | 52.9 | Low | 52.3 | Low | 74 Ų | 74 | 123 Ų | 123 | 52% | 0.517 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.9 | -31.5 | 175.4 | -166 | 0 | 0 | 0 | 0 | 113.4 | D1135 K1141 | D1135-S1137 PolarHBondContact O-N 3.14Å; S1137-K1141 WeakPolarHBondContact O-CB 3.37Å; S1137-K1141 WeakPolarHBondContact O-CD 3.4Å; S1137-K1141 VanDerWaalsContact O-CG 3.24Å; S1137-K1141 WeakPolarHBondContact O-CG 3.49Å; S1137-K1141 PolarHBondContact O-N 3.32Å; S1137-K1141 PolarHBondContact OG-NZ 3.29Å; S1137-K1141 VanDerWaalsContact OG-NZ 3.1Å |
| 1138 | L | 60.4 | Low | 54.3 | Low | 102 Ų | 102 | 117.5 Ų | 117.5 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75 | -45.8 | 177.6 | -168.9 | 70.2 | 0 | 0 | 0 | 110.2 | D1135 I1136 M1140 K1141 L1142 | D1135-L1138 WeakPolarHBondContact O-CB 3.4Å; D1135-L1138 PolarHBondContact O-N 3.24Å; I1136-L1138 VanDerWaalsContact C-N 3.34Å; I1136-L1138 PolarHBondContact O-N 3.09Å; L1138-M1140 PolarHBondContact O-N 3.08Å; L1138-K1141 PolarHBondContact O-N 2.94Å; L1138-L1142 HydrophobicContact CG-CD1 4.17Å; L1138-L1142 WeakPolarHBondContact O-CG 3.27Å; L1138-L1142 PolarHBondContact O-N 3.03Å |
| 1139 | F | 61.7 | Low | 55.9 | Low | 135 Ų | 135 | 118.4 Ų | 118.4 | 59% | 0.592 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -56.9 | -50.3 | 176.1 | -172.5 | -99.1 | 0 | 0 | 0 | 112.1 | D1135 K1141 L1142 Q1143 | D1135-F1139 PolarHBondContact O-N 3.24Å; F1139-K1141 VanDerWaalsContact C-N 3.34Å; F1139-K1141 PolarHBondContact O-N 3.23Å; F1139-L1142 PolarHBondContact O-N 2.97Å; F1139-Q1143 WeakPolarHBondContact O-CB 3.16Å; F1139-Q1143 PolarHBondContact O-N 2.96Å |
| 1140 | M | 64.3 | Low | 57.4 | Low | 117 Ų | 117 | 117.2 Ų | 117.2 | 58% | 0.576 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.8 | -38.4 | 176.9 | -80.4 | -69.1 | -167.3 | 0 | 0 | 113.1 | I1136 L1138 K1144 | I1136-M1140 PolarHBondContact O-N 3.4Å; L1138-M1140 PolarHBondContact O-N 3.08Å; M1140-K1144 WeakPolarHBondContact O-CB 3.37Å; M1140-K1144 PolarHBondContact O-N 3.09Å |
| 1141 | K | 67.5 | Low | 58.9 | Low | 138 Ų | 138 | 114.1 Ų | 114.1 | 60% | 0.6 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.6 | -40.3 | 176.7 | -76.6 | 168.1 | -176 | 153.7 | 0 | 112 | S1137 L1138 F1139 R1145 | S1137-K1141 WeakPolarHBondContact O-CB 3.37Å; S1137-K1141 WeakPolarHBondContact O-CD 3.4Å; S1137-K1141 VanDerWaalsContact O-CG 3.24Å; S1137-K1141 WeakPolarHBondContact O-CG 3.49Å; S1137-K1141 PolarHBondContact O-N 3.32Å; S1137-K1141 PolarHBondContact OG-NZ 3.29Å; S1137-K1141 VanDerWaalsContact OG-NZ 3.1Å; L1138-K1141 PolarHBondContact O-N 2.94Å; F1139-K1141 VanDerWaalsContact C-N 3.34Å; F1139-K1141 PolarHBondContact O-N 3.23Å; K1141-R1145 VanDerWaalsContact O-CB 3.3Å; K1141-R1145 WeakPolarHBondContact O-CB 3.35Å; K1141-R1145 PolarHBondContact O-N 2.83Å |
| 1142 | L | 60.6 | Low | 60.3 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 55% | 0.55 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.7 | -48.4 | 174.6 | -76.2 | 165.8 | 0 | 0 | 0 | 111.3 | L1138 F1139 K1144 R1145 V1146 | L1138-L1142 HydrophobicContact CG-CD1 4.17Å; L1138-L1142 WeakPolarHBondContact O-CG 3.27Å; L1138-L1142 PolarHBondContact O-N 3.03Å; F1139-L1142 PolarHBondContact O-N 2.97Å; L1142-K1144 VanDerWaalsContact C-N 3.31Å; L1142-K1144 PolarHBondContact O-N 3.31Å; L1142-R1145 PolarHBondContact O-N 3.43Å; L1142-V1146 WeakPolarHBondContact O-CG2 3.46Å; L1142-V1146 PolarHBondContact O-N 2.88Å |
| 1143 | Q | 58.4 | Low | 61.9 | Low | 84 Ų | 84 | 114.5 Ų | 114.5 | 39% | 0.393 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.4 | -30.7 | -178.7 | -152.8 | -159.5 | 53.3 | 0 | 0 | 112.7 | F1139 R1147 | F1139-Q1143 WeakPolarHBondContact O-CB 3.16Å; F1139-Q1143 PolarHBondContact O-N 2.96Å; Q1143-R1147 PolarHBondContact O-N 3.49Å; Q1143-R1147 PolarHBondContact O-NE 2.99Å |
| 1144 | K | 64.9 | Low | 63 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 59% | 0.587 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.5 | -45.1 | 167.4 | -172.6 | 179.2 | -177.4 | -172.3 | 0 | 111.3 | M1140 L1142 V1146 R1147 E1148 | M1140-K1144 WeakPolarHBondContact O-CB 3.37Å; M1140-K1144 PolarHBondContact O-N 3.09Å; L1142-K1144 VanDerWaalsContact C-N 3.31Å; L1142-K1144 PolarHBondContact O-N 3.31Å; K1144-V1146 VanDerWaalsContact C-N 3.34Å; K1144-V1146 PolarHBondContact O-N 3.36Å; K1144-R1147 PolarHBondContact O-N 3.49Å; K1144-E1148 WeakPolarHBondContact CE-OE1 3.33Å; K1144-E1148 IonicContact NZ-OE1 2.72Å; K1144-E1148 WeakPolarHBondContact O-CG 3.5Å; K1144-E1148 PolarHBondContact O-N 3.05Å |
| 1145 | R | 69.9 | Low | 64.4 | Low | 127 Ų | 127 | 117.9 Ų | 117.9 | 48% | 0.479 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.8 | -31.9 | -177.1 | -166.9 | 60.6 | -178.9 | 160.3 | 10.1 | 113.1 | K1141 L1142 E1148 L1149 | K1141-R1145 VanDerWaalsContact O-CB 3.3Å; K1141-R1145 WeakPolarHBondContact O-CB 3.35Å; K1141-R1145 PolarHBondContact O-N 2.83Å; L1142-R1145 PolarHBondContact O-N 3.43Å; R1145-E1148 WeakPolarHBondContact CD-OE2 3.42Å; R1145-E1148 IonicContact CZ-OE2 2.76Å; R1145-E1148 IonicContact NE-OE2 2.67Å; R1145-E1148 IonicContact NH1-OE2 3.26Å; R1145-E1148 PolarHBondContact NH1-OE2 3.27Å; R1145-E1148 PolarHBondContact O-N 3Å; R1145-L1149 HydrophobicContact CG-CD1 4.35Å; R1145-L1149 WeakPolarHBondContact O-CB 3.24Å; R1145-L1149 VanDerWaalsContact O-CG 3.29Å; R1145-L1149 WeakPolarHBondContact O-CG 3.45Å; R1145-L1149 PolarHBondContact O-N 2.96Å |
| 1146 | V | 67.3 | Low | 64.9 | Low | 75 Ų | 75 | 117.8 Ų | 117.8 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.9 | -50.2 | 170.1 | 172 | 0 | 0 | 0 | 0 | 110.4 | L1142 K1144 E1148 L1149 E1150 | L1142-V1146 WeakPolarHBondContact O-CG2 3.46Å; L1142-V1146 PolarHBondContact O-N 2.88Å; K1144-V1146 VanDerWaalsContact C-N 3.34Å; K1144-V1146 PolarHBondContact O-N 3.36Å; V1146-E1148 VanDerWaalsContact C-N 3.31Å; V1146-E1148 PolarHBondContact O-N 2.87Å; V1146-L1149 CarbonylContact O-C 3.6Å; V1146-L1149 PolarHBondContact O-N 3.27Å; V1146-E1150 HydrophobicContact CG1-CG 4.27Å; V1146-E1150 WeakPolarHBondContact O-CG 3.47Å; V1146-E1150 PolarHBondContact O-N 3.06Å |
| 1147 | R | 64.6 | Low | 65.6 | Low | 144 Ų | 144 | 115.8 Ų | 115.8 | 54% | 0.543 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -34 | 176.8 | -77.2 | -175.6 | -89.3 | 176.4 | -11.2 | 113.6 | Q1143 K1144 T1151 | Q1143-R1147 PolarHBondContact O-N 3.49Å; Q1143-R1147 PolarHBondContact O-NE 2.99Å; K1144-R1147 PolarHBondContact O-N 3.49Å; R1147-T1151 WeakPolarHBondContact O-CB 3.35Å; R1147-T1151 WeakPolarHBondContact O-CG2 3.37Å; R1147-T1151 PolarHBondContact O-N 3.36Å; R1147-T1151 PolarHBondContact O-OG1 3.02Å |
| 1148 | E | 70.4 | Confident | 66.7 | Low | 68 Ų | 68 | 115.8 Ų | 115.8 | 32% | 0.318 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 170.8 | -74.1 | 173.1 | -175.8 | 0 | 0 | 111.5 | K1144 R1145 V1146 T1151 E1152 | K1144-E1148 WeakPolarHBondContact CE-OE1 3.33Å; K1144-E1148 IonicContact NZ-OE1 2.72Å; K1144-E1148 WeakPolarHBondContact O-CG 3.5Å; K1144-E1148 PolarHBondContact O-N 3.05Å; R1145-E1148 WeakPolarHBondContact CD-OE2 3.42Å; R1145-E1148 IonicContact CZ-OE2 2.76Å; R1145-E1148 IonicContact NE-OE2 2.67Å; R1145-E1148 IonicContact NH1-OE2 3.26Å; R1145-E1148 PolarHBondContact NH1-OE2 3.27Å; R1145-E1148 PolarHBondContact O-N 3Å; V1146-E1148 VanDerWaalsContact C-N 3.31Å; V1146-E1148 PolarHBondContact O-N 2.87Å; E1148-T1151 PolarHBondContact O-OG1 3.31Å; E1148-T1151 VanDerWaalsContact O-OG1 3.05Å; E1148-E1152 VanDerWaalsContact O-CB 3.26Å; E1148-E1152 WeakPolarHBondContact O-CB 3.44Å; E1148-E1152 PolarHBondContact O-N 3.43Å |
| 1149 | L | 64.7 | Low | 66.9 | Low | 88 Ų | 88 | 115.5 Ų | 115.5 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.8 | -32.2 | 178.9 | -71.6 | 168.4 | 0 | 0 | 0 | 113 | R1145 V1146 R1153 | R1145-L1149 HydrophobicContact CG-CD1 4.35Å; R1145-L1149 WeakPolarHBondContact O-CB 3.24Å; R1145-L1149 VanDerWaalsContact O-CG 3.29Å; R1145-L1149 WeakPolarHBondContact O-CG 3.45Å; R1145-L1149 PolarHBondContact O-N 2.96Å; V1146-L1149 CarbonylContact O-C 3.6Å; V1146-L1149 PolarHBondContact O-N 3.27Å; L1149-R1153 VanDerWaalsContact O-CB 3.24Å; L1149-R1153 WeakPolarHBondContact O-CB 3.21Å; L1149-R1153 PolarHBondContact O-N 3.48Å |
| 1150 | E | 63.5 | Low | 67 | Low | 106 Ų | 106 | 113.5 Ų | 113.5 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.2 | -39.5 | 174.8 | -72.1 | 174.9 | 149.6 | 0 | 0 | 112.3 | V1146 K1154 | V1146-E1150 HydrophobicContact CG1-CG 4.27Å; V1146-E1150 WeakPolarHBondContact O-CG 3.47Å; V1146-E1150 PolarHBondContact O-N 3.06Å; E1150-K1154 WeakPolarHBondContact O-CG 3.17Å; E1150-K1154 PolarHBondContact O-N 3.16Å |
| 1151 | T | 69.1 | Low | 67.1 | Low | 93 Ų | 93 | 111.2 Ų | 111.2 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71 | -37.8 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | R1147 E1148 K1154 R1155 | R1147-T1151 WeakPolarHBondContact O-CB 3.35Å; R1147-T1151 WeakPolarHBondContact O-CG2 3.37Å; R1147-T1151 PolarHBondContact O-N 3.36Å; R1147-T1151 PolarHBondContact O-OG1 3.02Å; E1148-T1151 PolarHBondContact O-OG1 3.31Å; E1148-T1151 VanDerWaalsContact O-OG1 3.05Å; T1151-K1154 PolarHBondContact O-N 3.38Å; T1151-R1155 VanDerWaalsContact O-CB 3.28Å; T1151-R1155 WeakPolarHBondContact O-CB 3.43Å; T1151-R1155 PolarHBondContact O-N 2.64Å |
| 1152 | E | 71.4 | Confident | 67.1 | Low | 103 Ų | 103 | 110.4 Ų | 110.4 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 170.9 | -170.4 | 163.7 | -135.9 | 0 | 0 | 111.7 | E1148 R1155 L1156 | E1148-E1152 VanDerWaalsContact O-CB 3.26Å; E1148-E1152 WeakPolarHBondContact O-CB 3.44Å; E1148-E1152 PolarHBondContact O-N 3.43Å; E1152-R1155 PolarHBondContact O-N 2.9Å; E1152-L1156 HydrophobicContact CG-CD1 4.19Å; E1152-L1156 WeakPolarHBondContact O-CB 3.35Å; E1152-L1156 VanDerWaalsContact O-CG 3.32Å; E1152-L1156 WeakPolarHBondContact O-CG 3.38Å; E1152-L1156 PolarHBondContact O-N 3.04Å |
| 1153 | R | 73.1 | Confident | 67 | Low | 183 Ų | 183 | 111.9 Ų | 111.9 | 69% | 0.691 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.7 | -49.3 | 172.6 | 176.6 | -176.7 | 162.7 | -159.9 | -6 | 112 | L1149 R1155 L1156 Q1157 | L1149-R1153 VanDerWaalsContact O-CB 3.24Å; L1149-R1153 WeakPolarHBondContact O-CB 3.21Å; L1149-R1153 PolarHBondContact O-N 3.48Å; R1153-R1155 VanDerWaalsContact C-N 3.28Å; R1153-R1155 PolarHBondContact O-N 2.97Å; R1153-L1156 PolarHBondContact O-N 3.07Å; R1153-Q1157 PolarHBondContact O-N 3.27Å |
| 1154 | K | 70.1 | Confident | 66.9 | Low | 160 Ų | 160 | 112.9 Ų | 112.9 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 177.2 | -77.2 | -175 | 177.3 | -176.8 | 0 | 111.6 | E1150 T1151 Q1157 V1158 | E1150-K1154 WeakPolarHBondContact O-CG 3.17Å; E1150-K1154 PolarHBondContact O-N 3.16Å; T1151-K1154 PolarHBondContact O-N 3.38Å; K1154-Q1157 PolarHBondContact O-N 2.61Å; K1154-V1158 WeakPolarHBondContact O-CG2 3.3Å; K1154-V1158 PolarHBondContact O-N 3.43Å |
| 1155 | R | 74.4 | Confident | 66.4 | Low | 196 Ų | 196 | 111.9 Ų | 111.9 | 74% | 0.74 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.2 | -32.3 | 177.6 | -159.8 | 177.7 | -162.8 | 176.5 | 6.2 | 113 | T1151 E1152 R1153 N1159 | T1151-R1155 VanDerWaalsContact O-CB 3.28Å; T1151-R1155 WeakPolarHBondContact O-CB 3.43Å; T1151-R1155 PolarHBondContact O-N 2.64Å; E1152-R1155 PolarHBondContact O-N 2.9Å; R1153-R1155 VanDerWaalsContact C-N 3.28Å; R1153-R1155 PolarHBondContact O-N 2.97Å; R1155-N1159 PolarHBondContact O-N 3.03Å |
| 1156 | L | 63.5 | Low | 65.5 | Low | 108 Ų | 108 | 112 Ų | 112 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72 | -39.7 | 171.9 | -75 | 168.3 | 0 | 0 | 0 | 111.8 | E1152 R1153 N1159 L1160 | E1152-L1156 HydrophobicContact CG-CD1 4.19Å; E1152-L1156 WeakPolarHBondContact O-CB 3.35Å; E1152-L1156 VanDerWaalsContact O-CG 3.32Å; E1152-L1156 WeakPolarHBondContact O-CG 3.38Å; E1152-L1156 PolarHBondContact O-N 3.04Å; R1153-L1156 PolarHBondContact O-N 3.07Å; L1156-N1159 PolarHBondContact O-N 2.98Å; L1156-L1160 PolarHBondContact O-N 2.88Å |
| 1157 | Q | 64.7 | Low | 64.6 | Low | 90 Ų | 90 | 111.7 Ų | 111.7 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59 | -54.7 | 174.2 | -166.9 | 65.9 | 57 | 0 | 0 | 110.7 | R1153 K1154 N1159 L1160 D1161 | R1153-Q1157 PolarHBondContact O-N 3.27Å; K1154-Q1157 PolarHBondContact O-N 2.61Å; Q1157-N1159 PolarHBondContact O-N 3.25Å; Q1157-L1160 WeakPolarHBondContact O-CA 3.46Å; Q1157-L1160 VanDerWaalsContact O-CB 3.26Å; Q1157-L1160 WeakPolarHBondContact O-CB 3.45Å; Q1157-L1160 PolarHBondContact O-N 3.39Å; Q1157-D1161 PolarHBondContact NE2-OD1 3.09Å; Q1157-D1161 PolarHBondContact O-N 3.01Å; Q1157-D1161 VanDerWaalsContact O-OD1 3.12Å; Q1157-D1161 VanDerWaalsContact O-OD2 3.13Å |
| 1158 | V | 75.2 | Confident | 63.8 | Low | 74 Ų | 74 | 113.3 Ų | 113.3 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.9 | -24.9 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 113.2 | K1154 K1162 | K1154-V1158 WeakPolarHBondContact O-CG2 3.3Å; K1154-V1158 PolarHBondContact O-N 3.43Å; V1158-K1162 HydrophobicContact CG1-CD 4.49Å; V1158-K1162 WeakPolarHBondContact O-CB 3.49Å; V1158-K1162 VanDerWaalsContact O-CG 3.27Å; V1158-K1162 WeakPolarHBondContact O-CG 3.23Å; V1158-K1162 PolarHBondContact O-N 3.18Å |
| 1159 | N | 65.9 | Low | 62.5 | Low | 96 Ų | 96 | 119.8 Ų | 119.8 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -80.8 | -31.4 | 171.2 | -84.8 | -15.2 | 0 | 0 | 0 | 113.1 | R1155 L1156 Q1157 M1163 | R1155-N1159 PolarHBondContact O-N 3.03Å; L1156-N1159 PolarHBondContact O-N 2.98Å; Q1157-N1159 PolarHBondContact O-N 3.25Å; N1159-M1163 WeakPolarHBondContact O-CB 3.48Å; N1159-M1163 WeakPolarHBondContact O-CG 3.2Å; N1159-M1163 PolarHBondContact O-N 2.97Å |
| 1160 | L | 62.6 | Low | 61.3 | Low | 93 Ų | 93 | 124.7 Ų | 124.7 | 49% | 0.487 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.5 | -51.4 | 173 | -161.3 | 78.5 | 0 | 0 | 0 | 109.7 | L1156 Q1157 K1162 M1163 E1164 | L1156-L1160 PolarHBondContact O-N 2.88Å; Q1157-L1160 WeakPolarHBondContact O-CA 3.46Å; Q1157-L1160 VanDerWaalsContact O-CB 3.26Å; Q1157-L1160 WeakPolarHBondContact O-CB 3.45Å; Q1157-L1160 PolarHBondContact O-N 3.39Å; L1160-K1162 VanDerWaalsContact C-N 3.28Å; L1160-K1162 PolarHBondContact O-N 3.27Å; L1160-M1163 CarbonylContact O-C 3.58Å; L1160-M1163 WeakPolarHBondContact O-CA 3.44Å; L1160-M1163 WeakPolarHBondContact O-CB 3.41Å; L1160-M1163 PolarHBondContact O-N 3.07Å; L1160-E1164 PolarHBondContact O-N 3.02Å |
| 1161 | D | 67.1 | Low | 59.9 | Low | 70 Ų | 70 | 123.2 Ų | 123.2 | 37% | 0.374 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58 | -41.9 | -180 | -44.1 | -27.6 | 0 | 0 | 0 | 110.6 | Q1157 E1164 E1165 | Q1157-D1161 PolarHBondContact NE2-OD1 3.09Å; Q1157-D1161 PolarHBondContact O-N 3.01Å; Q1157-D1161 VanDerWaalsContact O-OD1 3.12Å; Q1157-D1161 VanDerWaalsContact O-OD2 3.13Å; D1161-E1164 PolarHBondContact O-N 3.03Å; D1161-E1165 PolarHBondContact O-N 2.98Å |
| 1162 | K | 67.6 | Low | 58.8 | Low | 121 Ų | 121 | 124.5 Ų | 124.5 | 53% | 0.526 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.8 | -29.1 | 172.9 | -78.2 | -179.5 | 175.6 | -176.8 | 0 | 114.4 | V1158 L1160 L1166 | V1158-K1162 HydrophobicContact CG1-CD 4.49Å; V1158-K1162 WeakPolarHBondContact O-CB 3.49Å; V1158-K1162 VanDerWaalsContact O-CG 3.27Å; V1158-K1162 WeakPolarHBondContact O-CG 3.23Å; V1158-K1162 PolarHBondContact O-N 3.18Å; L1160-K1162 VanDerWaalsContact C-N 3.28Å; L1160-K1162 PolarHBondContact O-N 3.27Å; K1162-L1166 WeakPolarHBondContact O-CB 3.24Å; K1162-L1166 WeakPolarHBondContact O-CD1 3.28Å; K1162-L1166 VanDerWaalsContact O-CG 3.32Å; K1162-L1166 WeakPolarHBondContact O-CG 3.41Å; K1162-L1166 PolarHBondContact O-N 3.28Å; K1162-L1166 VanDerWaalsContact O-N 3.17Å |
| 1163 | M | 58.8 | Low | 56.9 | Low | 136 Ų | 136 | 128.1 Ų | 128.1 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.9 | -31.5 | 171.3 | -82 | -156.9 | 67.5 | 0 | 0 | 111.9 | N1159 L1160 L1166 A1167 | N1159-M1163 WeakPolarHBondContact O-CB 3.48Å; N1159-M1163 WeakPolarHBondContact O-CG 3.2Å; N1159-M1163 PolarHBondContact O-N 2.97Å; L1160-M1163 CarbonylContact O-C 3.58Å; L1160-M1163 WeakPolarHBondContact O-CA 3.44Å; L1160-M1163 WeakPolarHBondContact O-CB 3.41Å; L1160-M1163 PolarHBondContact O-N 3.07Å; M1163-L1166 PolarHBondContact O-N 3.12Å; M1163-A1167 WeakPolarHBondContact O-CB 3.47Å; M1163-A1167 PolarHBondContact O-N 2.79Å |
| 1164 | E | 57 | Low | 55.2 | Low | 104 Ų | 104 | 124.7 Ų | 124.7 | 49% | 0.486 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -73.6 | -38 | 174.7 | -68.2 | -171.3 | -175 | 0 | 0 | 112.6 | L1160 D1161 L1166 A1167 K1168 | L1160-E1164 PolarHBondContact O-N 3.02Å; D1161-E1164 PolarHBondContact O-N 3.03Å; E1164-L1166 VanDerWaalsContact C-N 3.33Å; E1164-L1166 PolarHBondContact O-N 2.58Å; E1164-A1167 PolarHBondContact O-N 3.29Å; E1164-K1168 WeakPolarHBondContact O-CG 3.45Å; E1164-K1168 PolarHBondContact O-N 2.74Å |
| 1165 | E | 54.3 | Low | 53.3 | Low | 114 Ų | 114 | 126.9 Ų | 126.9 | 53% | 0.533 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -57.8 | -44.6 | 167.1 | -82.5 | -157.2 | 102.6 | 0 | 0 | 112.1 | D1161 A1167 K1168 R1169 | D1161-E1165 PolarHBondContact O-N 2.98Å; E1165-A1167 VanDerWaalsContact C-N 3.29Å; E1165-A1167 PolarHBondContact O-N 3.06Å; E1165-K1168 PolarHBondContact O-N 2.9Å; E1165-R1169 PolarHBondContact O-N 2.84Å |
| 1166 | L | 50.3 | Low | 51.2 | Low | 131 Ų | 131 | 124 Ų | 124 | 69% | 0.686 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.4 | -26.6 | 177.8 | -77.1 | 169.2 | 0 | 0 | 0 | 113 | K1162 M1163 E1164 | K1162-L1166 WeakPolarHBondContact O-CB 3.24Å; K1162-L1166 WeakPolarHBondContact O-CD1 3.28Å; K1162-L1166 VanDerWaalsContact O-CG 3.32Å; K1162-L1166 WeakPolarHBondContact O-CG 3.41Å; K1162-L1166 PolarHBondContact O-N 3.28Å; K1162-L1166 VanDerWaalsContact O-N 3.17Å; M1163-L1166 PolarHBondContact O-N 3.12Å; E1164-L1166 VanDerWaalsContact C-N 3.33Å; E1164-L1166 PolarHBondContact O-N 2.58Å |
| 1167 | A | 47.7 | Very low | 49.9 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 55% | 0.554 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.1 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1163 E1164 E1165 R1169 K1170 | M1163-A1167 WeakPolarHBondContact O-CB 3.47Å; M1163-A1167 PolarHBondContact O-N 2.79Å; E1164-A1167 PolarHBondContact O-N 3.29Å; E1165-A1167 VanDerWaalsContact C-N 3.29Å; E1165-A1167 PolarHBondContact O-N 3.06Å; A1167-R1169 PolarHBondContact O-N 2.82Å; A1167-K1170 PolarHBondContact O-N 3.02Å |
| 1168 | K | 47.7 | Very low | 48.3 | Very low | 178 Ų | 178 | 125.2 Ų | 125.2 | 77% | 0.774 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.7 | -17.2 | -178.2 | -72.9 | 177.4 | -179.2 | 173.8 | 0 | 114.1 | E1164 E1165 | E1164-K1168 WeakPolarHBondContact O-CG 3.45Å; E1164-K1168 PolarHBondContact O-N 2.74Å; E1165-K1168 PolarHBondContact O-N 2.9Å |
| 1169 | R | 44.8 | Very low | 46.8 | Very low | 204 Ų | 204 | 124.9 Ų | 124.9 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 13.4 | 177.5 | -70.3 | -169.9 | -177.9 | -156.9 | 2.6 | 115.5 | E1165 A1167 | E1165-R1169 PolarHBondContact O-N 2.84Å; A1167-R1169 PolarHBondContact O-N 2.82Å |
| 1170 | K | 39 | Very low | 45.1 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 84% | 0.835 | 67% | 0.671 | S | S | * | * | trans | -143.1 | 113.2 | 176.2 | -76 | -163.1 | 172.7 | -169.4 | 0 | 116 | A1167 | A1167-K1170 PolarHBondContact O-N 3.02Š| ||
| 1171 | G | 34.1 | Very low | 43.6 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | trans | -157.7 | 169.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1172 | P | 44.7 | Very low | 41.8 | Very low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | cis | -116.3 | 176.6 | -6.6 | 40 | -28 | 0 | 0 | 0 | 113.5 | ||||
| 1173 | E | 31.8 | Very low | 40 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | 61 | 163.8 | 156.3 | -77 | -170.5 | -167.2 | 0 | 0 | 122.4 | ||||
| 1174 | P | 38.6 | Very low | 38.7 | Very low | 112 Ų | 112 | 124 Ų | 124 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | cis | -120 | 170.9 | -34.1 | 32.7 | -19.5 | 0 | 0 | 0 | 112.5 | ||||
| 1175 | K | 28.7 | Very low | 37.3 | Very low | 205 Ų | 205 | 126.3 Ų | 126.3 | 89% | 0.891 | 72% | 0.715 | S | S | * | * | trans | -142.3 | 130 | 170.8 | -79.1 | 179.5 | -179.1 | 167.7 | 0 | 111.4 | ||||
| 1176 | T | 30.3 | Very low | 36.2 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | trans | -95.6 | 149.2 | 147 | 46 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1177 | P | 37.9 | Very low | 35.2 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | -84.4 | 160.3 | -167.8 | 33 | -35.8 | 0 | 0 | 0 | 113.7 | ||||
| 1178 | T | 30.3 | Very low | 34.2 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 61% | 0.607 | 74% | 0.74 | S | S | * | * | trans | -115.3 | 155.5 | 169.3 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1179 | P | 42.9 | Very low | 33.3 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 44% | 0.442 | 73% | 0.732 | S | S | . | * | trans | -110.2 | 179.2 | -148.4 | 42.4 | -41.1 | 0 | 0 | 0 | 117 | ||||
| 1180 | D | 30.3 | Very low | 32.3 | Very low | 133 Ų | 133 | 126 Ų | 126 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | 80.6 | 134.7 | 154.4 | -53.2 | -43.8 | 0 | 0 | 0 | 120.9 | ||||
| 1181 | V | 31.1 | Very low | 31.7 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 53% | 0.527 | 72% | 0.723 | S | S | . | * | 172.1 | 120.4 | 95.6 | 159.1 | 0 | 0 | 0 | 0 | 110.4 | R777 | R777-V1181 PolarHBondContact NH1-O 3.47Š| |||
| 1182 | A | 30.6 | Very low | 31.3 | Very low | 62 Ų | 62 | 128.2 Ų | 128.2 | 51% | 0.512 | 72% | 0.723 | S | S | . | * | trans | 37.1 | 154.7 | 135.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | R777 | R777-A1182 PolarHBondContact NH2-O 2.88Š| ||
| 1183 | T | 29.8 | Very low | 30.5 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 89% | 0.89 | 72% | 0.723 | S | S | * | * | cis | -158.9 | 168.6 | -11.5 | 11.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1184 | G | 30.5 | Very low | 30.9 | Very low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | -108.9 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1185 | D | 27.5 | Very low | 30.3 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -163.3 | 156.3 | 165 | -93.7 | -37.7 | 0 | 0 | 0 | 106.7 | ||||
| 1186 | L | 31.3 | Very low | 30.3 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | -165.7 | 137.6 | -54.3 | -125.1 | 173.2 | 0 | 0 | 0 | 107.6 | |||||
| 1187 | A | 30 | Very low | 30 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 69% | 0.686 | 70% | 0.7 | S | S | * | * | trans | 66 | 170 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1188 | Y | 26.7 | Very low | 29.6 | Very low | 206 Ų | 206 | 126.7 Ų | 126.7 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | cis | -152.6 | 151.2 | 18.2 | -148.8 | -81.8 | 0 | 0 | 0 | 112.2 | ||||
| 1189 | N | 28.3 | Very low | 29.6 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | trans | 75.5 | 104.8 | 161.6 | -92.8 | 2.6 | 0 | 0 | 0 | 124 | ||||
| 1190 | N | 25 | Very low | 29.1 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | 99.6 | 137.6 | 100.9 | -89.1 | -3.6 | 0 | 0 | 0 | 125.7 | |||||
| 1191 | L | 25.9 | Very low | 29.1 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | 90.5 | 119.6 | 145.5 | -71.3 | 156.3 | 0 | 0 | 0 | 122 | ||||
| 1192 | K | 25.6 | Very low | 29 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | 65.9 | 120.6 | 141.9 | -71.1 | 177 | 177.2 | -177 | 0 | 118 | ||||
| 1193 | V | 27.4 | Very low | 30.1 | Very low | 127 Ų | 127 | 136 Ų | 136 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | cis | 55.6 | 109.6 | 43.1 | -168.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1194 | P | 39.7 | Very low | 30.2 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | -145.6 | -179.1 | 60.7 | 46.3 | -28.8 | 0 | 0 | 0 | 114.2 | |||||
| 1195 | E | 26.8 | Very low | 30.3 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | cis | -153.3 | -162.3 | -16.1 | -126 | -147.9 | 74.6 | 0 | 0 | 114.5 | ||||
| 1196 | S | 28.1 | Very low | 30.3 | Very low | 62 Ų | 62 | 141 Ų | 141 | 43% | 0.434 | 74% | 0.744 | S | S | . | * | trans | -60.4 | 157.1 | -177.1 | 60.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1197 | N | 25.4 | Very low | 30.3 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | -173.6 | 170.2 | 106.1 | -92.5 | -55.4 | 0 | 0 | 0 | 110.6 | |||||
| 1198 | R | 29.4 | Very low | 30.4 | Very low | 212 Ų | 212 | 139.9 Ų | 139.9 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | 168.2 | 159.5 | -54.7 | -114.7 | -174 | 164.4 | -177.4 | -1.9 | 108.7 | |||||
| 1199 | S | 28.6 | Very low | 30.8 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 81 | 146.1 | 173 | 84.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1200 | R | 33.6 | Very low | 31.1 | Very low | 236 Ų | 236 | 142 Ų | 142 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | cis | -161.2 | 170.3 | -6.1 | -118.9 | 169.8 | -171 | 163.1 | 1.6 | 106.8 | ||||
| 1201 | S | 28.9 | Very low | 31.5 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | cis | -158.4 | -178.1 | 1.7 | 14.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1202 | G | 29.2 | Very low | 31.9 | Very low | 67 Ų | 67 | 142.1 Ų | 142.1 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | cis | -154.1 | -138.3 | 10.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1203 | P | 54.8 | Low | 32.4 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | -134 | 154.5 | -108.6 | 39.6 | -25.5 | 0 | 0 | 0 | 119.2 | |||||
| 1204 | Q | 31.9 | Very low | 32.9 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | 60.4 | 147.4 | 146 | -72.7 | -174.1 | 21.8 | 0 | 0 | 118.8 | ||||
| 1205 | R | 31.5 | Very low | 32.4 | Very low | 215 Ų | 215 | 142.3 Ų | 142.3 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | cis | -161.7 | -179.2 | 17.5 | -112 | 170.2 | -137.6 | -164.3 | 5 | 107.6 | ||||
| 1206 | S | 28.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | cis | -167.5 | 177.5 | -7.3 | 45.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1207 | T | 30.9 | Very low | 33.4 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | -30.5 | 166.1 | 158.1 | 50 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1208 | S | 32.2 | Very low | 33.6 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | cis | 173.7 | 156.9 | -20.9 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1209 | F | 36.3 | Very low | 33.8 | Very low | 198 Ų | 198 | 143.8 Ų | 143.8 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | trans | 69.3 | 163.5 | 165 | -78.4 | -71.1 | 0 | 0 | 0 | 118 | ||||
| 1210 | Q | 32.9 | Very low | 34.9 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | cis | -158.7 | 149.3 | 10.9 | -133.3 | -164.4 | -11.5 | 0 | 0 | 114.7 | ||||
| 1211 | T | 33.6 | Very low | 34.7 | Very low | 113 Ų | 113 | 138 Ų | 138 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | trans | 57.4 | 143.5 | 143.8 | -15.4 | 0 | 0 | 0 | 0 | 128 | ||||
| 1212 | I | 34.8 | Very low | 34.8 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | 124.7 | 147.7 | 143 | -65.5 | -175 | 0 | 0 | 0 | 119.3 | ||||
| 1213 | L | 36.6 | Very low | 34.9 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | -69.1 | -177.3 | -173.5 | -64.8 | 144.8 | 0 | 0 | 0 | 115.4 | ||||
| 1214 | L | 36.4 | Very low | 33.9 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | cis | -163.7 | 170.5 | 21.4 | -138.2 | 150.1 | 0 | 0 | 0 | 113.3 | ||||
| 1215 | D | 29.4 | Very low | 33.8 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | 96.3 | 165.4 | 144.9 | -116.9 | -35.5 | 0 | 0 | 0 | 124.8 | ||||
| 1216 | K | 30.5 | Very low | 34 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | -114.4 | -165.1 | -166.6 | -56 | 174.9 | 176.4 | 168.2 | 0 | 111 | ||||
| 1217 | P | 46.2 | Very low | 34.7 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -141.2 | -165.7 | -1.2 | 32.2 | -5.5 | 0 | 0 | 0 | 116.9 | ||||
| 1218 | V | 29.5 | Very low | 35.2 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | 90.4 | 140.7 | 157.9 | -175.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1219 | K | 34.2 | Very low | 35.6 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -127.2 | 173.6 | 173.8 | -80.3 | -172.9 | 175.6 | -177 | 0 | 106.5 | ||||
| 1220 | P | 50.5 | Low | 35.5 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | cis | -161.3 | -165.4 | 36 | 44.8 | -20.2 | 0 | 0 | 0 | 118.9 | ||||
| 1221 | V | 29.3 | Very low | 35.7 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 70% | 0.697 | 81% | 0.806 | S | S | * | * | trans | 69 | 119.7 | 146.6 | 159.3 | 0 | 0 | 0 | 0 | 118 | V1223 | V1221-V1223 HydrophobicContact CG1-CG2 4.3Š| ||
| 1222 | T | 32.8 | Very low | 35.8 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | 65.9 | 137.6 | 63.2 | -25.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1223 | V | 30.9 | Very low | 35.9 | Very low | 112 Ų | 112 | 142 Ų | 142 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | 176.1 | 129.7 | 98.8 | 155 | 0 | 0 | 0 | 0 | 110.9 | V1221 | V1221-V1223 HydrophobicContact CG1-CG2 4.3Š| |||
| 1224 | Q | 32.3 | Very low | 35.8 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | 33.4 | 137.3 | 144.2 | -57.1 | -177.9 | -5.9 | 0 | 0 | 125.2 | ||||
| 1225 | N | 31.3 | Very low | 35.8 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 67% | 0.674 | 82% | 0.82 | S | S | * | * | 74.6 | 130.5 | 127.2 | -74 | -24.6 | 0 | 0 | 0 | 124.6 | |||||
| 1226 | R | 34.8 | Very low | 36.2 | Very low | 217 Ų | 217 | 141.9 Ų | 141.9 | 82% | 0.819 | 83% | 0.827 | S | S | * | * | trans | 65 | 95.3 | 133.4 | -69.3 | -174.9 | 176.9 | -166.2 | -1.9 | 120.9 | ||||
| 1227 | S | 43.2 | Very low | 36.7 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | 43 | 110 | 113.4 | 65.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1228 | S | 41.9 | Very low | 35.9 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -159.1 | 139.6 | 135.6 | 45.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1229 | G | 39.7 | Very low | 36.4 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 100% | 1.608 | 84% | 0.836 | S | S | * | * | trans | 120.3 | 0 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 1,229 of 1,229 residues in 7725.4 ms
(Link to these results)