| 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 | 60.7 | Low | 84.2 | Confident | 87 Ų | 87 | 42.6 Ų | 42.6 | 43% | 0.429 | 23% | 0.231 | S | C | . | . | 0 | 128.4 | 0 | -176.6 | -177.9 | -76 | 0 | 0 | 107.9 | H6 A72 E75 F76 | M1-H6 HydrophobicContact CG-CB 4.44Å; M1-H6 HydrophobicContact SD-CB 3.94Å; M1-A72 HydrophobicContact CE-CB 4.47Å; M1-A72 VanDerWaalsContact CE-O 3.29Å; M1-A72 WeakPolarHBondContact CE-O 2.91Å; M1-A72 HydrophobicContact CG-CB 4.48Å; M1-E75 HydrophobicContact CE-CB 4.46Å; M1-F76 HydrophobicContact CE-CB 3.62Å; M1-F76 HydrophobicContact CE-CD2 3.82Å; M1-F76 HydrophobicContact CE-CG 4.23Å; M1-F76 HydrophobicContact SD-CD2 3.73Å | |||
| 2 | D | 75.8 | Confident | 84.5 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | trans | -61.1 | 132.8 | 177.3 | 179.7 | -84.2 | 0 | 0 | 0 | 110.7 | F4 L5 H6 | D2-F4 PolarHBondContact O-N 2.77Å; D2-F4 WeakPolarHBondContact OD1-CA 3.42Å; D2-F4 WeakPolarHBondContact OD1-CB 3.34Å; D2-F4 PolarHBondContact OD1-N 2.98Å; D2-L5 HydrophobicContact CB-CB 4.18Å; D2-L5 HydrophobicContact CB-CD1 4.16Å; D2-L5 HydrophobicContact CB-CG 4.11Å; D2-L5 PolarHBondContact O-N 3.47Å; D2-L5 PolarHBondContact OD1-N 2.98Å; D2-H6 PolarHBondContact O-N 2.93Å | ||
| 3 | P | 82 | Confident | 84.1 | Confident | 100 Ų | 100 | 44.5 Ų | 44.5 | 65% | 0.649 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -58.4 | -31.8 | -178.2 | -25.9 | 34.8 | 0 | 0 | 0 | 114.2 | H6 A7 | P3-H6 WeakPolarHBondContact O-CB 3.4Å; P3-H6 PolarHBondContact O-N 2.93Å; P3-A7 PolarHBondContact O-N 3.47Å; P3-A7 VanDerWaalsContact O-N 3.07Å |
| 4 | F | 86.7 | Confident | 83.9 | Confident | 109 Ų | 109 | 48.4 Ų | 48.4 | 48% | 0.478 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74.7 | -41.2 | 178.1 | -62 | -83.6 | 0 | 0 | 0 | 111.3 | D2 H6 A7 F8 F58 L62 | D2-F4 PolarHBondContact O-N 2.77Å; D2-F4 WeakPolarHBondContact OD1-CA 3.42Å; D2-F4 WeakPolarHBondContact OD1-CB 3.34Å; D2-F4 PolarHBondContact OD1-N 2.98Å; F4-H6 VanDerWaalsContact C-N 3.26Å; F4-H6 PolarHBondContact O-N 3.33Å; F4-A7 WeakPolarHBondContact O-CB 3.46Å; F4-A7 PolarHBondContact O-N 3.43Å; F4-A7 VanDerWaalsContact O-N 3.14Å; F4-F8 PolarHBondContact O-N 3.47Å; F4-F58 HydrophobicContact CB-CE1 3.84Å; F4-F58 HydrophobicContact CB-CZ 3.85Å; F4-F58 WeakPolarHBondContact O-CE1 3.28Å; F4-F58 WeakPolarHBondContact O-CZ 3.39Å; F4-L62 HydrophobicContact CB-CD1 3.47Å; F4-L62 VanDerWaalsContact CB-CD1 3.47Å; F4-L62 HydrophobicContact CB-CD2 4.5Å; F4-L62 HydrophobicContact CD2-CD2 4.31Å; F4-L62 HydrophobicContact CG-CD1 4.1Å; F4-L62 HydrophobicContact CG-CD2 4.24Å |
| 5 | L | 90 | Very high | 83.8 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 171.8 | -75.1 | -176.5 | 0 | 0 | 0 | 111.6 | D2 A7 F8 F9 L55 F58 V64 A69 A72 | D2-L5 HydrophobicContact CB-CB 4.18Å; D2-L5 HydrophobicContact CB-CD1 4.16Å; D2-L5 HydrophobicContact CB-CG 4.11Å; D2-L5 PolarHBondContact O-N 3.47Å; D2-L5 PolarHBondContact OD1-N 2.98Å; L5-A7 VanDerWaalsContact C-N 3.32Å; L5-A7 PolarHBondContact O-N 3.02Å; L5-F8 PolarHBondContact O-N 3.18Å; L5-F9 HydrophobicContact CB-CD2 4.44Å; L5-F9 HydrophobicContact CB-CE2 3.96Å; L5-F9 HydrophobicContact CD2-CE2 4.46Å; L5-F9 HydrophobicContact CD2-CZ 4.33Å; L5-F9 WeakPolarHBondContact O-CD2 3.47Å; L5-F9 WeakPolarHBondContact O-CG 3.2Å; L5-F9 PolarHBondContact O-N 3.42Å; L5-L55 HydrophobicContact CD2-CD1 4.09Å; L5-F58 HydrophobicContact CD2-CD1 4.28Å; L5-F58 HydrophobicContact CD2-CE1 4.43Å; L5-V64 HydrophobicContact CD1-CG1 4.11Å; L5-A69 HydrophobicContact CD1-CB 4.19Å; L5-A69 HydrophobicContact CD2-CB 4.08Å; L5-A72 HydrophobicContact CD1-CB 4.03Å |
| 6 | H | 86 | Confident | 84.2 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 174.2 | -176.1 | -77.9 | 0 | 0 | 0 | 111.8 | M1 D2 P3 F4 F9 A10 F76 R79 | M1-H6 HydrophobicContact CG-CB 4.44Å; M1-H6 HydrophobicContact SD-CB 3.94Å; D2-H6 PolarHBondContact O-N 2.93Å; P3-H6 WeakPolarHBondContact O-CB 3.4Å; P3-H6 PolarHBondContact O-N 2.93Å; F4-H6 VanDerWaalsContact C-N 3.26Å; F4-H6 PolarHBondContact O-N 3.33Å; H6-F9 PolarHBondContact O-N 2.85Å; H6-A10 VanDerWaalsContact O-CB 3.28Å; H6-A10 WeakPolarHBondContact O-CB 3.36Å; H6-A10 PolarHBondContact O-N 3.45Å; H6-F76 AromaticContact CD2-CE2 3.6Å; H6-F76 AromaticContact NE2-CE2 3.71Å; H6-R79 PolarHBondContact CD2-NH1 2.97Å; H6-R79 PolarHBondContact NE2-NH1 3.25Å |
| 7 | A | 87.6 | Confident | 84.7 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P3 F4 L5 A10 V11 W41 | P3-A7 PolarHBondContact O-N 3.47Å; P3-A7 VanDerWaalsContact O-N 3.07Å; F4-A7 WeakPolarHBondContact O-CB 3.46Å; F4-A7 PolarHBondContact O-N 3.43Å; F4-A7 VanDerWaalsContact O-N 3.14Å; L5-A7 VanDerWaalsContact C-N 3.32Å; L5-A7 PolarHBondContact O-N 3.02Å; A7-A10 PolarHBondContact O-N 3.01Å; A7-V11 WeakPolarHBondContact O-CG2 3.48Å; A7-V11 PolarHBondContact O-N 3.18Å; A7-W41 HydrophobicContact CB-CH2 3.75Å; A7-W41 HydrophobicContact CB-CZ2 3.76Å |
| 8 | F | 92.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.8 | -54.2 | 175.7 | -174.7 | -76.4 | 0 | 0 | 0 | 110.8 | F4 L5 A10 V11 D12 I19 I53 L55 F58 | F4-F8 PolarHBondContact O-N 3.47Å; L5-F8 PolarHBondContact O-N 3.18Å; F8-A10 PolarHBondContact O-N 2.97Å; F8-V11 PolarHBondContact O-N 3.12Å; F8-D12 HydrophobicContact CD1-CB 4.16Å; F8-D12 HydrophobicContact CE1-CB 3.85Å; F8-D12 WeakPolarHBondContact O-CB 3.43Å; F8-D12 PolarHBondContact O-N 3.43Å; F8-I19 HydrophobicContact CB-CD1 4.34Å; F8-I19 HydrophobicContact CD1-CD1 3.99Å; F8-I19 HydrophobicContact CD2-CD1 3.42Å; F8-I19 VanDerWaalsContact CD2-CD1 3.42Å; F8-I19 HydrophobicContact CE1-CD1 4.04Å; F8-I19 HydrophobicContact CE1-CG1 4.39Å; F8-I19 HydrophobicContact CE2-CD1 3.49Å; F8-I19 VanDerWaalsContact CE2-CD1 3.49Å; F8-I19 HydrophobicContact CE2-CG1 4.17Å; F8-I19 HydrophobicContact CG-CD1 3.67Å; F8-I19 HydrophobicContact CZ-CD1 3.79Å; F8-I19 HydrophobicContact CZ-CG1 4.07Å; F8-I19 WeakPolarHBondContact O-CD1 3.33Å; F8-I53 HydrophobicContact CE2-CG2 4.11Å; F8-L55 HydrophobicContact CD1-CD1 3.9Å; F8-L55 HydrophobicContact CE1-CB 3.94Å; F8-L55 HydrophobicContact CE1-CD1 3.94Å; F8-L55 HydrophobicContact CE1-CG 4.47Å; F8-L55 HydrophobicContact CE2-CB 4.36Å; F8-L55 HydrophobicContact CG-CD1 4.25Å; F8-L55 HydrophobicContact CZ-CB 3.75Å; F8-L55 HydrophobicContact CZ-CD1 4.3Å; F8-L55 VanDerWaalsContact CZ-N 3.34Å; F8-F58 HydrophobicContact CB-CD1 4.2Å; F8-F58 HydrophobicContact CB-CE1 3.88Å; F8-F58 HydrophobicContact CB-CE2 4.46Å; F8-F58 HydrophobicContact CB-CZ 4.02Å; F8-F58 HydrophobicContact CD2-CB 3.94Å; F8-F58 AromaticContact CD2-CD1 3.97Å; F8-F58 HydrophobicContact CD2-CD1 3.97Å; F8-F58 AromaticContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CE1 4.36Å; F8-F58 HydrophobicContact CD2-CE2 4.12Å; F8-F58 AromaticContact CD2-CG 3.61Å; F8-F58 HydrophobicContact CD2-CG 3.61Å; F8-F58 HydrophobicContact CD2-CZ 4.42Å; F8-F58 HydrophobicContact CE2-CB 4.09Å; F8-F58 HydrophobicContact CE2-CD2 4.41Å; F8-F58 HydrophobicContact CE2-CG 4.25Å; F8-F58 HydrophobicContact CG-CD1 4.36Å; F8-F58 HydrophobicContact CG-CG 4.44Å |
| 9 | F | 90.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -20.9 | -178.1 | -57.7 | -44.6 | 0 | 0 | 0 | 113.8 | L5 H6 V11 L55 A69 A72 K73 F76 | L5-F9 HydrophobicContact CB-CD2 4.44Å; L5-F9 HydrophobicContact CB-CE2 3.96Å; L5-F9 HydrophobicContact CD2-CE2 4.46Å; L5-F9 HydrophobicContact CD2-CZ 4.33Å; L5-F9 WeakPolarHBondContact O-CD2 3.47Å; L5-F9 WeakPolarHBondContact O-CG 3.2Å; L5-F9 PolarHBondContact O-N 3.42Å; H6-F9 PolarHBondContact O-N 2.85Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-L55 HydrophobicContact CE1-CD1 3.8Å; F9-L55 HydrophobicContact CE1-CD2 4.11Å; F9-L55 HydrophobicContact CZ-CD1 4.02Å; F9-L55 HydrophobicContact CZ-CD2 4.46Å; F9-A69 WeakPolarHBondContact CZ-O 3.31Å; F9-A72 HydrophobicContact CE2-CB 4.14Å; F9-K73 HydrophobicContact CD1-CB 4.44Å; F9-K73 HydrophobicContact CD1-CG 4.18Å; F9-K73 HydrophobicContact CE1-CB 3.8Å; F9-K73 HydrophobicContact CE1-CD 4.28Å; F9-K73 HydrophobicContact CE1-CG 3.87Å; F9-K73 HydrophobicContact CE2-CB 4.15Å; F9-K73 HydrophobicContact CZ-CB 3.64Å; F9-K73 HydrophobicContact CZ-CG 4.24Å; F9-F76 HydrophobicContact CB-CD1 3.61Å; F9-F76 HydrophobicContact CB-CD2 4.04Å; F9-F76 HydrophobicContact CB-CE1 3.63Å; F9-F76 HydrophobicContact CB-CE2 4.06Å; F9-F76 HydrophobicContact CB-CG 3.81Å; F9-F76 HydrophobicContact CB-CZ 3.86Å; F9-F76 HydrophobicContact CD2-CB 4.14Å; F9-F76 HydrophobicContact CD2-CD2 4.35Å; F9-F76 HydrophobicContact CD2-CG 4.17Å; F9-F76 HydrophobicContact CG-CD1 4.42Å; F9-F76 HydrophobicContact CG-CG 4.33Å; F9-F76 WeakPolarHBondContact O-CE1 3.39Å |
| 10 | A | 85.6 | Confident | 86.1 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.7 | -19.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | H6 A7 F8 Y27 F76 | H6-A10 VanDerWaalsContact O-CB 3.28Å; H6-A10 WeakPolarHBondContact O-CB 3.36Å; H6-A10 PolarHBondContact O-N 3.45Å; A7-A10 PolarHBondContact O-N 3.01Å; F8-A10 PolarHBondContact O-N 2.97Å; A10-Y27 HydrophobicContact CB-CE2 3.7Å; A10-F76 HydrophobicContact CB-CZ 4.44Å |
| 11 | V | 88.9 | Confident | 86.4 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -96.5 | -36.1 | 176.1 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | A7 F8 F9 L13 I19 E23 L24 Y27 | A7-V11 WeakPolarHBondContact O-CG2 3.48Å; A7-V11 PolarHBondContact O-N 3.18Å; F8-V11 PolarHBondContact O-N 3.12Å; F9-V11 VanDerWaalsContact C-N 3.31Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.01Å; V11-I19 HydrophobicContact CB-CD1 3.76Å; V11-I19 HydrophobicContact CB-CG1 4.09Å; V11-I19 HydrophobicContact CB-CG2 4.3Å; V11-I19 HydrophobicContact CG1-CB 4.3Å; V11-I19 HydrophobicContact CG1-CD1 4.05Å; V11-I19 HydrophobicContact CG1-CG1 3.98Å; V11-I19 HydrophobicContact CG1-CG2 3.37Å; V11-E23 HydrophobicContact CG1-CB 3.99Å; V11-L24 HydrophobicContact CG1-CB 4.39Å; V11-L24 HydrophobicContact CG2-CD1 4.29Å; V11-Y27 HydrophobicContact CB-CG 4.47Å; V11-Y27 HydrophobicContact CG2-CD1 3.64Å; V11-Y27 HydrophobicContact CG2-CD2 3.82Å; V11-Y27 HydrophobicContact CG2-CE1 4.14Å; V11-Y27 HydrophobicContact CG2-CE2 4.31Å; V11-Y27 HydrophobicContact CG2-CG 3.47Å; V11-Y27 VanDerWaalsContact CG2-CG 3.47Å |
| 12 | D | 88.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -74.9 | 73.8 | 176.1 | 178 | 16.1 | 0 | 0 | 0 | 111.4 | F8 H15 D16 E17 I19 | F8-D12 HydrophobicContact CD1-CB 4.16Å; F8-D12 HydrophobicContact CE1-CB 3.85Å; F8-D12 WeakPolarHBondContact O-CB 3.43Å; F8-D12 PolarHBondContact O-N 3.43Å; D12-H15 PolarHBondContact O-N 3.2Å; D12-H15 PolarHBondContact O-ND1 3.2Å; D12-H15 WeakPolarHBondContact OD1-CA 3.37Å; D12-H15 PolarHBondContact OD1-N 3.23Å; D12-D16 PolarHBondContact OD1-N 2.82Å; D12-D16 VanDerWaalsContact OD1-N 3.13Å; D12-E17 WeakPolarHBondContact OD2-CA 3.46Å; D12-E17 PolarHBondContact OD2-N 3.12Å; D12-I19 HydrophobicContact CB-CD1 4.4Å; D12-I19 HydrophobicContact CB-CG1 3.94Å | ||
| 13 | L | 78.4 | Confident | 88.5 | Confident | 109 Ų | 109 | 48.1 Ų | 48.1 | 57% | 0.571 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -72.6 | -28.7 | -173.5 | -64 | -178 | 0 | 0 | 0 | 113.7 | V11 | V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.01Å |
| 14 | D | 81.5 | Confident | 89 | Confident | 99 Ų | 99 | 43.3 Ų | 43.3 | 53% | 0.529 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -89.7 | -9.2 | 176.9 | 73.1 | -3.9 | 0 | 0 | 0 | 113 | D16 | D14-D16 VanDerWaalsContact C-N 3.31Å; D14-D16 PolarHBondContact O-N 3.45Å; D14-D16 WeakPolarHBondContact OD1-CB 3.36Å; D14-D16 PolarHBondContact OD1-N 3.49Å; D14-D16 VanDerWaalsContact OD1-N 3.12Å |
| 15 | H | 82.8 | Confident | 89.2 | Confident | 70 Ų | 70 | 43.1 Ų | 43.1 | 32% | 0.324 | 22% | 0.222 | S | C | . | . | trans | 65.7 | 27.9 | 176.4 | -52.1 | -46.4 | 0 | 0 | 0 | 114.2 | D12 E17 K73 | D12-H15 PolarHBondContact O-N 3.2Å; D12-H15 PolarHBondContact O-ND1 3.2Å; D12-H15 WeakPolarHBondContact OD1-CA 3.37Å; D12-H15 PolarHBondContact OD1-N 3.23Å; H15-E17 PolarHBondContact O-N 2.92Å; H15-K73 PolarHBondContact O-NZ 3.01Å | ||
| 16 | D | 89.5 | Confident | 88.9 | Confident | 80 Ų | 80 | 44 Ų | 44 | 43% | 0.428 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -80.7 | 1 | 179.4 | 90.6 | -20.1 | 0 | 0 | 0 | 113.6 | D12 D14 K18 | D12-D16 PolarHBondContact OD1-N 2.82Å; D12-D16 VanDerWaalsContact OD1-N 3.13Å; D14-D16 VanDerWaalsContact C-N 3.31Å; D14-D16 PolarHBondContact O-N 3.45Å; D14-D16 WeakPolarHBondContact OD1-CB 3.36Å; D14-D16 PolarHBondContact OD1-N 3.49Å; D14-D16 VanDerWaalsContact OD1-N 3.12Å; D16-K18 VanDerWaalsContact C-N 3.31Å; D16-K18 VanDerWaalsContact OD1-CA 3.29Å; D16-K18 WeakPolarHBondContact OD1-CA 3.34Å; D16-K18 WeakPolarHBondContact OD1-CB 3.39Å; D16-K18 PolarHBondContact OD1-N 3.31Å; D16-K18 VanDerWaalsContact OD1-O 3.07Å |
| 17 | E | 93.3 | Very high | 88.9 | Confident | 43 Ų | 43 | 43 Ų | 43 | 20% | 0.201 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 69.8 | 22.3 | -175.4 | -53.6 | -173.5 | 170.4 | 0 | 0 | 114.1 | D12 H15 T54 L55 R70 K73 | D12-E17 WeakPolarHBondContact OD2-CA 3.46Å; D12-E17 PolarHBondContact OD2-N 3.12Å; H15-E17 PolarHBondContact O-N 2.92Å; E17-T54 WeakPolarHBondContact O-CA 3.33Å; E17-L55 HydrophobicContact CB-CB 3.84Å; E17-L55 HydrophobicContact CB-CD2 4.28Å; E17-L55 HydrophobicContact CG-CB 4.47Å; E17-L55 HydrophobicContact CG-CD2 4Å; E17-L55 PolarHBondContact O-N 2.89Å; E17-R70 IonicContact OE1-NE 2.77Å; E17-R70 IonicContact OE2-NE 3.97Å; E17-R70 IonicContact OE2-NH2 3.95Å; E17-K73 HydrophobicContact CG-CD 4.43Å; E17-K73 IonicContact OE1-NZ 3.16Å; E17-K73 PolarHBondContact OE1-NZ 3.38Å |
| 18 | K | 94 | Very high | 88.9 | Confident | 101 Ų | 101 | 42.4 Ų | 42.4 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 145.8 | 177.4 | -51.3 | 179.8 | -178 | 167.6 | 0 | 110.5 | D16 I53 T54 | D16-K18 VanDerWaalsContact C-N 3.31Å; D16-K18 VanDerWaalsContact OD1-CA 3.29Å; D16-K18 WeakPolarHBondContact OD1-CA 3.34Å; D16-K18 WeakPolarHBondContact OD1-CB 3.39Å; D16-K18 PolarHBondContact OD1-N 3.31Å; D16-K18 VanDerWaalsContact OD1-O 3.07Å; K18-I53 CarbonylContact C-O 3.56Å; K18-I53 WeakPolarHBondContact CA-O 3.17Å; K18-T54 HydrophobicContact CG-CG2 4.23Å |
| 19 | I | 93.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.9 | 176 | -67.1 | 161.3 | 0 | 0 | 0 | 107.7 | F8 V11 D12 E23 L24 W41 Y52 I53 | F8-I19 HydrophobicContact CB-CD1 4.34Å; F8-I19 HydrophobicContact CD1-CD1 3.99Å; F8-I19 HydrophobicContact CD2-CD1 3.42Å; F8-I19 VanDerWaalsContact CD2-CD1 3.42Å; F8-I19 HydrophobicContact CE1-CD1 4.04Å; F8-I19 HydrophobicContact CE1-CG1 4.39Å; F8-I19 HydrophobicContact CE2-CD1 3.49Å; F8-I19 VanDerWaalsContact CE2-CD1 3.49Å; F8-I19 HydrophobicContact CE2-CG1 4.17Å; F8-I19 HydrophobicContact CG-CD1 3.67Å; F8-I19 HydrophobicContact CZ-CD1 3.79Å; F8-I19 HydrophobicContact CZ-CG1 4.07Å; F8-I19 WeakPolarHBondContact O-CD1 3.33Å; V11-I19 HydrophobicContact CB-CD1 3.76Å; V11-I19 HydrophobicContact CB-CG1 4.09Å; V11-I19 HydrophobicContact CB-CG2 4.3Å; V11-I19 HydrophobicContact CG1-CB 4.3Å; V11-I19 HydrophobicContact CG1-CD1 4.05Å; V11-I19 HydrophobicContact CG1-CG1 3.98Å; V11-I19 HydrophobicContact CG1-CG2 3.37Å; D12-I19 HydrophobicContact CB-CD1 4.4Å; D12-I19 HydrophobicContact CB-CG1 3.94Å; I19-E23 HydrophobicContact CG2-CB 4.23Å; I19-L24 HydrophobicContact CG2-CB 4.04Å; I19-W41 HydrophobicContact CD1-CZ3 4.28Å; I19-Y52 CarbonylContact O-C 3.26Å; I19-Y52 WeakPolarHBondContact O-CA 3.49Å; I19-I53 HydrophobicContact CB-CB 4.42Å; I19-I53 PolarHBondContact N-O 3.36Å; I19-I53 PolarHBondContact O-N 2.95Å |
| 20 | S | 94.3 | Very high | 87.9 | Confident | 23 Ų | 23 | 46 Ų | 46 | 16% | 0.161 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 157 | 168.7 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | T22 E23 L24 | S20-T22 PolarHBondContact O-N 3.39Å; S20-E23 VanDerWaalsContact CB-OE2 3.3Å; S20-E23 WeakPolarHBondContact CB-OE2 3.48Å; S20-E23 PolarHBondContact N-OE2 2.82Å; S20-E23 PolarHBondContact O-N 3.45Å; S20-E23 VanDerWaalsContact OG-CD 3.31Å; S20-E23 WeakPolarHBondContact OG-CG 3.29Å; S20-E23 PolarHBondContact OG-N 2.73Å; S20-E23 VanDerWaalsContact OG-N 3.15Å; S20-E23 PolarHBondContact OG-OE2 3.4Å; S20-L24 PolarHBondContact O-N 3.15Å; S20-L24 VanDerWaalsContact O-N 3.08Å |
| 21 | M | 93.2 | Very high | 87.5 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 14% | 0.143 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -28.7 | 173.3 | -65.7 | -63.1 | 127.9 | 0 | 0 | 112.7 | K25 R42 D46 G51 I53 | M21-K25 VanDerWaalsContact O-CB 3.3Å; M21-K25 WeakPolarHBondContact O-CB 3.5Å; M21-K25 PolarHBondContact O-N 3.08Å; M21-R42 HydrophobicContact CE-CG 4.5Å; M21-R42 HydrophobicContact SD-CB 4.27Å; M21-R42 HydrophobicContact SD-CG 4.27Å; M21-D46 HydrophobicContact CE-CB 4.18Å; M21-G51 PolarHBondContact N-O 3.24Å; M21-I53 HydrophobicContact CE-CD1 3.9Å; M21-I53 HydrophobicContact CE-CG1 3.71Å |
| 22 | T | 91.2 | Very high | 87.1 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.3 | -44.9 | 176.3 | -56 | 0 | 0 | 0 | 0 | 111.3 | S20 K25 N26 | S20-T22 PolarHBondContact O-N 3.39Å; T22-K25 PolarHBondContact O-N 3.36Å; T22-N26 WeakPolarHBondContact O-CB 3.3Å; T22-N26 PolarHBondContact O-N 2.85Å; T22-N26 PolarHBondContact O-OD1 2.91Å |
| 23 | E | 88.5 | Confident | 87 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176.6 | -74.2 | 159.2 | 141.4 | 0 | 0 | 111.7 | V11 I19 S20 N26 Y27 | V11-E23 HydrophobicContact CG1-CB 3.99Å; I19-E23 HydrophobicContact CG2-CB 4.23Å; S20-E23 VanDerWaalsContact CB-OE2 3.3Å; S20-E23 WeakPolarHBondContact CB-OE2 3.48Å; S20-E23 PolarHBondContact N-OE2 2.82Å; S20-E23 PolarHBondContact O-N 3.45Å; S20-E23 VanDerWaalsContact OG-CD 3.31Å; S20-E23 WeakPolarHBondContact OG-CG 3.29Å; S20-E23 PolarHBondContact OG-N 2.73Å; S20-E23 VanDerWaalsContact OG-N 3.15Å; S20-E23 PolarHBondContact OG-OE2 3.4Å; E23-N26 PolarHBondContact O-N 2.82Å; E23-Y27 WeakPolarHBondContact O-CB 3.24Å; E23-Y27 PolarHBondContact O-N 3.1Å |
| 24 | L | 92 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.6 | -179 | 60.7 | 0 | 0 | 0 | 111.9 | V11 I19 S20 Y27 V28 I38 W41 I53 | V11-L24 HydrophobicContact CG1-CB 4.39Å; V11-L24 HydrophobicContact CG2-CD1 4.29Å; I19-L24 HydrophobicContact CG2-CB 4.04Å; S20-L24 PolarHBondContact O-N 3.15Å; S20-L24 VanDerWaalsContact O-N 3.08Å; L24-Y27 PolarHBondContact O-N 2.86Å; L24-V28 HydrophobicContact CD1-CG2 4.42Å; L24-V28 WeakPolarHBondContact O-CG2 3.44Å; L24-V28 PolarHBondContact O-N 3.2Å; L24-I38 HydrophobicContact CD2-CG2 4.36Å; L24-I38 HydrophobicContact CG-CG1 4.48Å; L24-W41 HydrophobicContact CD1-CD2 4.04Å; L24-W41 HydrophobicContact CD1-CE3 3.73Å; L24-W41 HydrophobicContact CD1-CZ3 4.1Å; L24-W41 HydrophobicContact CD2-CB 3.61Å; L24-W41 HydrophobicContact CD2-CD2 4.24Å; L24-W41 HydrophobicContact CD2-CE3 4.05Å; L24-W41 HydrophobicContact CD2-CG 4.09Å; L24-I53 HydrophobicContact CD2-CD1 4.17Å |
| 25 | K | 91.7 | Very high | 88.1 | Confident | 104 Ų | 104 | 59.2 Ų | 59.2 | 45% | 0.452 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60 | -47 | 176.2 | -179.4 | 175.4 | 173 | 179.3 | 0 | 111.1 | M21 T22 Y27 V28 E29 I38 | M21-K25 VanDerWaalsContact O-CB 3.3Å; M21-K25 WeakPolarHBondContact O-CB 3.5Å; M21-K25 PolarHBondContact O-N 3.08Å; T22-K25 PolarHBondContact O-N 3.36Å; K25-Y27 VanDerWaalsContact C-N 3.32Å; K25-Y27 PolarHBondContact O-N 3.47Å; K25-V28 PolarHBondContact O-N 2.91Å; K25-E29 WeakPolarHBondContact CE-OE1 3.4Å; K25-E29 HydrophobicContact CG-CG 4.48Å; K25-E29 IonicContact NZ-OE1 3.82Å; K25-E29 WeakPolarHBondContact O-CG 3.38Å; K25-E29 PolarHBondContact O-N 2.95Å; K25-I38 HydrophobicContact CB-CD1 3.92Å; K25-I38 HydrophobicContact CG-CD1 3.93Å |
| 26 | N | 84.4 | Confident | 88.6 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 13% | 0.128 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.5 | -46 | 176.1 | -73.5 | -11 | 0 | 0 | 0 | 111.1 | T22 E23 V28 E29 T30 P113 | T22-N26 WeakPolarHBondContact O-CB 3.3Å; T22-N26 PolarHBondContact O-N 2.85Å; T22-N26 PolarHBondContact O-OD1 2.91Å; E23-N26 PolarHBondContact O-N 2.82Å; N26-V28 PolarHBondContact O-N 2.88Å; N26-E29 PolarHBondContact O-N 3.23Å; N26-T30 VanDerWaalsContact O-CB 3.26Å; N26-T30 WeakPolarHBondContact O-CB 3.39Å; N26-T30 PolarHBondContact O-N 3.5Å; N26-T30 PolarHBondContact O-OG1 2.86Å; N26-P113 PolarHBondContact ND2-O 3.05Å; N26-P113 WeakPolarHBondContact OD1-CB 3.46Å; N26-P113 WeakPolarHBondContact OD1-CD 3.33Å; N26-P113 VanDerWaalsContact OD1-CG 3.25Å; N26-P113 WeakPolarHBondContact OD1-CG 3.48Å |
| 27 | Y | 85.1 | Confident | 88.7 | Confident | 46 Ų | 46 | 60.6 Ų | 60.6 | 18% | 0.18 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 178.3 | 178.3 | -96.5 | 0 | 0 | 0 | 112.2 | A10 V11 E23 L24 K25 T30 N31 L33 M37 | A10-Y27 HydrophobicContact CB-CE2 3.7Å; V11-Y27 HydrophobicContact CB-CG 4.47Å; V11-Y27 HydrophobicContact CG2-CD1 3.64Å; V11-Y27 HydrophobicContact CG2-CD2 3.82Å; V11-Y27 HydrophobicContact CG2-CE1 4.14Å; V11-Y27 HydrophobicContact CG2-CE2 4.31Å; V11-Y27 HydrophobicContact CG2-CG 3.47Å; V11-Y27 VanDerWaalsContact CG2-CG 3.47Å; E23-Y27 WeakPolarHBondContact O-CB 3.24Å; E23-Y27 PolarHBondContact O-N 3.1Å; L24-Y27 PolarHBondContact O-N 2.86Å; K25-Y27 VanDerWaalsContact C-N 3.32Å; K25-Y27 PolarHBondContact O-N 3.47Å; Y27-T30 PolarHBondContact O-N 3.49Å; Y27-N31 VanDerWaalsContact CD2-ND2 3.31Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.44Å; Y27-N31 VanDerWaalsContact CE2-ND2 3.28Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.35Å; Y27-N31 WeakPolarHBondContact O-CB 3.5Å; Y27-N31 PolarHBondContact O-N 3Å; Y27-N31 PolarHBondContact O-ND2 3.4Å; Y27-L33 HydrophobicContact CD1-CD1 3.96Å; Y27-L33 HydrophobicContact CE1-CD1 3.5Å; Y27-L33 VanDerWaalsContact CE1-CD1 3.5Å; Y27-M37 HydrophobicContact CE1-CE 4.43Å |
| 28 | V | 87.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 177.9 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | L24 K25 N26 T30 N31 N32 L33 M37 I38 | L24-V28 HydrophobicContact CD1-CG2 4.42Å; L24-V28 WeakPolarHBondContact O-CG2 3.44Å; L24-V28 PolarHBondContact O-N 3.2Å; K25-V28 PolarHBondContact O-N 2.91Å; N26-V28 PolarHBondContact O-N 2.88Å; V28-T30 VanDerWaalsContact C-N 3.32Å; V28-T30 PolarHBondContact O-N 3.15Å; V28-N31 PolarHBondContact O-N 3.5Å; V28-N32 PolarHBondContact O-N 3.41Å; V28-N32 VanDerWaalsContact O-N 3.16Å; V28-L33 HydrophobicContact CB-CB 4.43Å; V28-L33 HydrophobicContact CG1-CB 4.08Å; V28-L33 WeakPolarHBondContact CG1-O 3.28Å; V28-L33 HydrophobicContact CG2-CB 4.47Å; V28-L33 PolarHBondContact O-N 2.81Å; V28-M37 HydrophobicContact CG2-CB 4.15Å; V28-M37 HydrophobicContact CG2-CG 4.28Å; V28-M37 HydrophobicContact CG2-SD 4Å; V28-I38 HydrophobicContact CB-CD1 4.41Å; V28-I38 HydrophobicContact CB-CG1 4.3Å; V28-I38 HydrophobicContact CG1-CD1 4.39Å; V28-I38 HydrophobicContact CG1-CG1 4.41Å; V28-I38 HydrophobicContact CG2-CG1 3.92Å |
| 29 | E | 85.2 | Confident | 88.7 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69 | -27.6 | 177.7 | -66.1 | 179.3 | -177.6 | 0 | 0 | 113.4 | K25 N26 R164 | K25-E29 WeakPolarHBondContact CE-OE1 3.4Å; K25-E29 HydrophobicContact CG-CG 4.48Å; K25-E29 IonicContact NZ-OE1 3.82Å; K25-E29 WeakPolarHBondContact O-CG 3.38Å; K25-E29 PolarHBondContact O-N 2.95Å; N26-E29 PolarHBondContact O-N 3.23Å; E29-R164 VanDerWaalsContact C-NH2 3.29Å; E29-R164 VanDerWaalsContact CB-NH2 3.28Å; E29-R164 PolarHBondContact O-NH2 3.32Å; E29-R164 IonicContact OE2-NH2 3.67Å |
| 30 | T | 75.7 | Confident | 88.6 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 177.3 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | N26 Y27 V28 N32 D87 F112 | N26-T30 VanDerWaalsContact O-CB 3.26Å; N26-T30 WeakPolarHBondContact O-CB 3.39Å; N26-T30 PolarHBondContact O-N 3.5Å; N26-T30 PolarHBondContact O-OG1 2.86Å; Y27-T30 PolarHBondContact O-N 3.49Å; V28-T30 VanDerWaalsContact C-N 3.32Å; V28-T30 PolarHBondContact O-N 3.15Å; T30-N32 VanDerWaalsContact C-N 3.32Å; T30-D87 VanDerWaalsContact CG2-OD2 3.28Å; T30-D87 WeakPolarHBondContact CG2-OD2 3.42Å; T30-F112 HydrophobicContact CG2-CE1 3.85Å; T30-F112 HydrophobicContact CG2-CE2 4.28Å; T30-F112 HydrophobicContact CG2-CZ 3.53Å; T30-F112 WeakPolarHBondContact OG1-CD1 2.88Å; T30-F112 WeakPolarHBondContact OG1-CE1 3.05Å; T30-F112 WeakPolarHBondContact OG1-CZ 3.34Å |
| 31 | N | 76.7 | Confident | 88.7 | Confident | 47 Ų | 47 | 63.3 Ų | 63.3 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 9.9 | -171.8 | -66.4 | -83.3 | 0 | 0 | 0 | 112.3 | Y27 V28 L33 | Y27-N31 VanDerWaalsContact CD2-ND2 3.31Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.44Å; Y27-N31 VanDerWaalsContact CE2-ND2 3.28Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.35Å; Y27-N31 WeakPolarHBondContact O-CB 3.5Å; Y27-N31 PolarHBondContact O-N 3Å; Y27-N31 PolarHBondContact O-ND2 3.4Å; V28-N31 PolarHBondContact O-N 3.5Å; N31-L33 HydrophobicContact CB-CD1 3.92Å; N31-L33 HydrophobicContact CB-CD2 4.24Å; N31-L33 HydrophobicContact CB-CG 3.72Å; N31-L33 PolarHBondContact O-N 3.27Å |
| 32 | N | 81.9 | Confident | 88.7 | Confident | 151 Ų | 151 | 66.6 Ų | 66.6 | 81% | 0.807 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 44.4 | -175.6 | -65.4 | -38.2 | 0 | 0 | 0 | 112.5 | V28 T30 | V28-N32 PolarHBondContact O-N 3.41Å; V28-N32 VanDerWaalsContact O-N 3.16Å; T30-N32 VanDerWaalsContact C-N 3.32Å |
| 33 | L | 85.7 | Confident | 88.8 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | trans | -87.2 | 162.5 | 178.2 | -55.3 | 176.3 | 0 | 0 | 0 | 110.6 | Y27 V28 N31 E35 M37 | Y27-L33 HydrophobicContact CD1-CD1 3.96Å; Y27-L33 HydrophobicContact CE1-CD1 3.5Å; Y27-L33 VanDerWaalsContact CE1-CD1 3.5Å; V28-L33 HydrophobicContact CB-CB 4.43Å; V28-L33 HydrophobicContact CG1-CB 4.08Å; V28-L33 WeakPolarHBondContact CG1-O 3.28Å; V28-L33 HydrophobicContact CG2-CB 4.47Å; V28-L33 PolarHBondContact O-N 2.81Å; N31-L33 HydrophobicContact CB-CD1 3.92Å; N31-L33 HydrophobicContact CB-CD2 4.24Å; N31-L33 HydrophobicContact CB-CG 3.72Å; N31-L33 PolarHBondContact O-N 3.27Å; L33-E35 PolarHBondContact O-N 3.22Å; L33-M37 HydrophobicContact CB-SD 4.4Å; L33-M37 HydrophobicContact CD1-SD 3.79Å | ||
| 34 | D | 90.6 | Very high | 89.1 | Confident | 102 Ų | 102 | 69.2 Ų | 69.2 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | trans | -65.5 | 127 | 176.8 | -171.4 | -23.3 | 0 | 0 | 0 | 110.5 | K36 M37 | D34-K36 PolarHBondContact O-N 3.47Å; D34-K36 VanDerWaalsContact O-N 3.11Å; D34-K36 WeakPolarHBondContact OD1-CB 3.36Å; D34-K36 VanDerWaalsContact OD1-CG 3.32Å; D34-K36 WeakPolarHBondContact OD1-CG 3.48Å; D34-K36 PolarHBondContact OD1-N 2.9Å; D34-M37 WeakPolarHBondContact O-CB 3.21Å; D34-M37 PolarHBondContact O-N 3.18Å | ||
| 35 | E | 91.9 | Very high | 89.2 | Confident | 141 Ų | 141 | 69.5 Ų | 69.5 | 66% | 0.659 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.7 | 177.1 | -70.3 | -173.2 | 179.9 | 0 | 0 | 113.1 | L33 M37 I38 | L33-E35 PolarHBondContact O-N 3.22Å; E35-M37 PolarHBondContact O-N 3.14Å; E35-M37 VanDerWaalsContact O-N 3.09Å; E35-I38 WeakPolarHBondContact O-CB 3.37Å; E35-I38 PolarHBondContact O-N 2.89Å |
| 36 | K | 93.3 | Very high | 89.4 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.4 | -20 | 173.1 | -67.4 | 177.8 | -176.8 | 175.3 | 0 | 113.2 | D34 I38 E39 S40 | D34-K36 PolarHBondContact O-N 3.47Å; D34-K36 VanDerWaalsContact O-N 3.11Å; D34-K36 WeakPolarHBondContact OD1-CB 3.36Å; D34-K36 VanDerWaalsContact OD1-CG 3.32Å; D34-K36 WeakPolarHBondContact OD1-CG 3.48Å; D34-K36 PolarHBondContact OD1-N 2.9Å; K36-I38 PolarHBondContact O-N 3.14Å; K36-E39 PolarHBondContact O-N 3.26Å; K36-S40 WeakPolarHBondContact O-CB 3.49Å; K36-S40 PolarHBondContact O-N 3.26Å; K36-S40 PolarHBondContact O-OG 3.37Å |
| 37 | M | 92.1 | Very high | 89.7 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 21% | 0.212 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.3 | -37.2 | 172.8 | -174.6 | 174.7 | 176.8 | 0 | 0 | 111.4 | Y27 V28 L33 D34 E35 S40 W41 | Y27-M37 HydrophobicContact CE1-CE 4.43Å; V28-M37 HydrophobicContact CG2-CB 4.15Å; V28-M37 HydrophobicContact CG2-CG 4.28Å; V28-M37 HydrophobicContact CG2-SD 4Å; L33-M37 HydrophobicContact CB-SD 4.4Å; L33-M37 HydrophobicContact CD1-SD 3.79Å; D34-M37 WeakPolarHBondContact O-CB 3.21Å; D34-M37 PolarHBondContact O-N 3.18Å; E35-M37 PolarHBondContact O-N 3.14Å; E35-M37 VanDerWaalsContact O-N 3.09Å; M37-S40 PolarHBondContact O-N 2.87Å; M37-W41 HydrophobicContact CE-CD2 4.37Å; M37-W41 VanDerWaalsContact CE-CE2 3.43Å; M37-W41 HydrophobicContact CE-CH2 4.31Å; M37-W41 HydrophobicContact CE-CZ2 3.4Å; M37-W41 VanDerWaalsContact CE-CZ2 3.4Å; M37-W41 WeakPolarHBondContact O-CB 3.29Å; M37-W41 PolarHBondContact O-N 2.72Å |
| 38 | I | 93.3 | Very high | 89.9 | Confident | 24 Ų | 24 | 71.5 Ų | 71.5 | 12% | 0.123 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.5 | -47.7 | -179.9 | -55.3 | 172.4 | 0 | 0 | 0 | 110.2 | L24 K25 V28 E35 K36 R42 | L24-I38 HydrophobicContact CD2-CG2 4.36Å; L24-I38 HydrophobicContact CG-CG1 4.48Å; K25-I38 HydrophobicContact CB-CD1 3.92Å; K25-I38 HydrophobicContact CG-CD1 3.93Å; V28-I38 HydrophobicContact CB-CD1 4.41Å; V28-I38 HydrophobicContact CB-CG1 4.3Å; V28-I38 HydrophobicContact CG1-CD1 4.39Å; V28-I38 HydrophobicContact CG1-CG1 4.41Å; V28-I38 HydrophobicContact CG2-CG1 3.92Å; E35-I38 WeakPolarHBondContact O-CB 3.37Å; E35-I38 PolarHBondContact O-N 2.89Å; K36-I38 PolarHBondContact O-N 3.14Å; I38-R42 WeakPolarHBondContact O-CB 3.42Å; I38-R42 PolarHBondContact O-N 2.78Å |
| 39 | E | 93.7 | Very high | 90 | Very high | 123 Ų | 123 | 77.7 Ų | 77.7 | 58% | 0.575 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | 177.8 | -173.7 | 174.6 | -169.8 | 0 | 0 | 111.3 | K36 W41 R42 N43 | K36-E39 PolarHBondContact O-N 3.26Å; E39-W41 PolarHBondContact O-N 3.11Å; E39-R42 PolarHBondContact O-N 3.31Å; E39-N43 WeakPolarHBondContact O-CB 3.47Å; E39-N43 PolarHBondContact O-N 3.09Å; E39-N43 PolarHBondContact O-ND2 2.74Å |
| 40 | S | 93.4 | Very high | 90.4 | Very high | 60 Ų | 60 | 78.8 Ų | 78.8 | 42% | 0.42 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 178.1 | -59 | 0 | 0 | 0 | 0 | 111.8 | K36 M37 N43 L44 | K36-S40 WeakPolarHBondContact O-CB 3.49Å; K36-S40 PolarHBondContact O-N 3.26Å; K36-S40 PolarHBondContact O-OG 3.37Å; M37-S40 PolarHBondContact O-N 2.87Å; S40-N43 PolarHBondContact O-N 2.98Å; S40-L44 WeakPolarHBondContact O-CB 3.33Å; S40-L44 VanDerWaalsContact O-CG 3.26Å; S40-L44 WeakPolarHBondContact O-CG 3.2Å; S40-L44 PolarHBondContact O-N 3.12Å |
| 41 | W | 94.4 | Very high | 91.3 | Very high | 17 Ų | 17 | 79.3 Ų | 79.3 | 6% | 0.064 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 178.8 | -83 | 46.4 | 0 | 0 | 0 | 112.1 | A7 I19 L24 M37 E39 L44 F45 I53 F58 | A7-W41 HydrophobicContact CB-CH2 3.75Å; A7-W41 HydrophobicContact CB-CZ2 3.76Å; I19-W41 HydrophobicContact CD1-CZ3 4.28Å; L24-W41 HydrophobicContact CD1-CD2 4.04Å; L24-W41 HydrophobicContact CD1-CE3 3.73Å; L24-W41 HydrophobicContact CD1-CZ3 4.1Å; L24-W41 HydrophobicContact CD2-CB 3.61Å; L24-W41 HydrophobicContact CD2-CD2 4.24Å; L24-W41 HydrophobicContact CD2-CE3 4.05Å; L24-W41 HydrophobicContact CD2-CG 4.09Å; M37-W41 HydrophobicContact CE-CD2 4.37Å; M37-W41 VanDerWaalsContact CE-CE2 3.43Å; M37-W41 HydrophobicContact CE-CH2 4.31Å; M37-W41 HydrophobicContact CE-CZ2 3.4Å; M37-W41 VanDerWaalsContact CE-CZ2 3.4Å; M37-W41 WeakPolarHBondContact O-CB 3.29Å; M37-W41 PolarHBondContact O-N 2.72Å; E39-W41 PolarHBondContact O-N 3.11Å; W41-L44 PolarHBondContact O-N 3.48Å; W41-F45 HydrophobicContact CB-CD2 4.03Å; W41-F45 HydrophobicContact CB-CE2 4.39Å; W41-F45 HydrophobicContact CD2-CD2 4.21Å; W41-F45 HydrophobicContact CD2-CE2 4.05Å; W41-F45 HydrophobicContact CE3-CD2 4.39Å; W41-F45 HydrophobicContact CG-CD2 4.08Å; W41-F45 AromaticContact CG-CE2 3.99Å; W41-F45 HydrophobicContact CG-CE2 3.99Å; W41-F45 WeakPolarHBondContact O-CB 3.45Å; W41-F45 VanDerWaalsContact O-CD2 3.28Å; W41-F45 WeakPolarHBondContact O-CD2 3.35Å; W41-F45 PolarHBondContact O-N 3.13Å; W41-I53 HydrophobicContact CB-CD1 3.92Å; W41-I53 HydrophobicContact CE3-CD1 3.98Å; W41-F58 HydrophobicContact CE3-CE2 4.15Å; W41-F58 AromaticContact CH2-CE2 3.91Å; W41-F58 HydrophobicContact CH2-CE2 3.91Å; W41-F58 HydrophobicContact CH2-CZ 4.05Å; W41-F58 HydrophobicContact CZ2-CE2 4.29Å; W41-F58 HydrophobicContact CZ2-CZ 4.36Å; W41-F58 AromaticContact CZ3-CE2 3.83Å; W41-F58 HydrophobicContact CZ3-CE2 3.83Å; W41-F58 HydrophobicContact CZ3-CZ 4.41Å |
| 42 | R | 94.7 | Very high | 92.2 | Very high | 98 Ų | 98 | 83.3 Ų | 83.3 | 37% | 0.37 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 175 | -173.1 | -175 | -62.1 | 170.6 | 3.2 | 111.4 | M21 I38 E39 L44 D46 | M21-R42 HydrophobicContact CE-CG 4.5Å; M21-R42 HydrophobicContact SD-CB 4.27Å; M21-R42 HydrophobicContact SD-CG 4.27Å; I38-R42 WeakPolarHBondContact O-CB 3.42Å; I38-R42 PolarHBondContact O-N 2.78Å; E39-R42 PolarHBondContact O-N 3.31Å; R42-L44 VanDerWaalsContact C-N 3.33Å; R42-L44 PolarHBondContact O-N 3.22Å; R42-D46 CarbonylContact O-C 3.56Å; R42-D46 VanDerWaalsContact O-C 3.26Å; R42-D46 WeakPolarHBondContact O-CA 3.11Å; R42-D46 PolarHBondContact O-N 3.44Å |
| 43 | N | 93.5 | Very high | 92.8 | Very high | 94 Ų | 94 | 76.1 Ų | 76.1 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.8 | -35.4 | -177.9 | -70 | -17.3 | 0 | 0 | 0 | 112.7 | E39 S40 | E39-N43 WeakPolarHBondContact O-CB 3.47Å; E39-N43 PolarHBondContact O-N 3.09Å; E39-N43 PolarHBondContact O-ND2 2.74Å; S40-N43 PolarHBondContact O-N 2.98Å |
| 44 | L | 93.9 | Very high | 93.3 | Very high | 97 Ų | 97 | 75 Ų | 75 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -80.5 | -44.3 | -179.6 | -69.1 | 171.6 | 0 | 0 | 0 | 112.7 | S40 W41 R42 V61 | S40-L44 WeakPolarHBondContact O-CB 3.33Å; S40-L44 VanDerWaalsContact O-CG 3.26Å; S40-L44 WeakPolarHBondContact O-CG 3.2Å; S40-L44 PolarHBondContact O-N 3.12Å; W41-L44 PolarHBondContact O-N 3.48Å; R42-L44 VanDerWaalsContact C-N 3.33Å; R42-L44 PolarHBondContact O-N 3.22Å; L44-V61 WeakPolarHBondContact O-CG2 3.3Å |
| 45 | F | 95.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -114.5 | -12.6 | -164.2 | -48.4 | -64 | 0 | 0 | 0 | 115.1 | W41 I53 K57 F58 V61 L62 | W41-F45 HydrophobicContact CB-CD2 4.03Å; W41-F45 HydrophobicContact CB-CE2 4.39Å; W41-F45 HydrophobicContact CD2-CD2 4.21Å; W41-F45 HydrophobicContact CD2-CE2 4.05Å; W41-F45 HydrophobicContact CE3-CD2 4.39Å; W41-F45 HydrophobicContact CG-CD2 4.08Å; W41-F45 AromaticContact CG-CE2 3.99Å; W41-F45 HydrophobicContact CG-CE2 3.99Å; W41-F45 WeakPolarHBondContact O-CB 3.45Å; W41-F45 VanDerWaalsContact O-CD2 3.28Å; W41-F45 WeakPolarHBondContact O-CD2 3.35Å; W41-F45 PolarHBondContact O-N 3.13Å; F45-I53 HydrophobicContact CB-CB 4.36Å; F45-I53 HydrophobicContact CB-CD1 4.21Å; F45-I53 HydrophobicContact CB-CG1 4.06Å; F45-I53 HydrophobicContact CB-CG2 3.47Å; F45-I53 VanDerWaalsContact CB-CG2 3.47Å; F45-I53 HydrophobicContact CD2-CD1 4.47Å; F45-I53 HydrophobicContact CG-CG2 4.2Å; F45-K57 WeakPolarHBondContact O-CG 3.26Å; F45-F58 HydrophobicContact CB-CD2 4.39Å; F45-F58 AromaticContact CD1-CD2 3.66Å; F45-F58 HydrophobicContact CD1-CD2 3.66Å; F45-F58 HydrophobicContact CD1-CE2 4.24Å; F45-F58 HydrophobicContact CD1-CG 4.28Å; F45-F58 AromaticContact CD2-CD2 3.71Å; F45-F58 HydrophobicContact CD2-CD2 3.71Å; F45-F58 AromaticContact CD2-CE2 3.71Å; F45-F58 HydrophobicContact CD2-CE2 3.71Å; F45-F58 AromaticContact CE1-CD2 3.71Å; F45-F58 HydrophobicContact CE1-CD2 3.71Å; F45-F58 AromaticContact CE1-CE2 3.92Å; F45-F58 HydrophobicContact CE1-CE2 3.92Å; F45-F58 HydrophobicContact CE1-CG 4.27Å; F45-F58 AromaticContact CE2-CD2 3.77Å; F45-F58 HydrophobicContact CE2-CD2 3.77Å; F45-F58 AromaticContact CE2-CE2 3.37Å; F45-F58 HydrophobicContact CE2-CE2 3.37Å; F45-F58 HydrophobicContact CE2-CZ 4.29Å; F45-F58 AromaticContact CG-CD2 3.66Å; F45-F58 HydrophobicContact CG-CD2 3.66Å; F45-F58 HydrophobicContact CG-CE2 4.15Å; F45-F58 AromaticContact CZ-CD2 3.77Å; F45-F58 HydrophobicContact CZ-CD2 3.77Å; F45-F58 AromaticContact CZ-CE2 3.48Å; F45-F58 HydrophobicContact CZ-CE2 3.48Å; F45-F58 VanDerWaalsContact CZ-CE2 3.48Å; F45-F58 HydrophobicContact CZ-CZ 4.12Å; F45-V61 HydrophobicContact CD1-CB 3.85Å; F45-V61 HydrophobicContact CD1-CG1 3.93Å; F45-V61 HydrophobicContact CD1-CG2 4.11Å; F45-V61 HydrophobicContact CE1-CB 3.85Å; F45-V61 HydrophobicContact CE1-CG1 3.64Å; F45-L62 HydrophobicContact CE1-CD2 4.34Å; F45-L62 HydrophobicContact CE1-CG 4.21Å; F45-L62 HydrophobicContact CZ-CD2 4.38Å |
| 46 | D | 94.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 67.4 Ų | 67.4 | 3% | 0.032 | 35% | 0.345 | C | S | . | . | trans | -125 | 58 | 171.7 | -174.3 | 27.6 | 0 | 0 | 0 | 111.3 | M21 R42 M48 H49 T50 G51 I53 | M21-D46 HydrophobicContact CE-CB 4.18Å; R42-D46 CarbonylContact O-C 3.56Å; R42-D46 VanDerWaalsContact O-C 3.26Å; R42-D46 WeakPolarHBondContact O-CA 3.11Å; R42-D46 PolarHBondContact O-N 3.44Å; D46-M48 PolarHBondContact O-N 2.8Å; D46-M48 VanDerWaalsContact O-N 3.1Å; D46-H49 PolarHBondContact O-N 3.43Å; D46-H49 PolarHBondContact OD1-N 2.95Å; D46-H49 WeakPolarHBondContact OD2-CA 3.43Å; D46-T50 VanDerWaalsContact CG-N 3.32Å; D46-T50 WeakPolarHBondContact OD1-CB 3.43Å; D46-T50 PolarHBondContact OD1-N 2.86Å; D46-T50 PolarHBondContact OD1-OG1 3.01Å; D46-T50 PolarHBondContact OD2-N 2.96Å; D46-T50 VanDerWaalsContact OD2-N 3.09Å; D46-G51 PolarHBondContact OD2-N 3.47Å; D46-I53 HydrophobicContact CB-CG1 4.24Å | ||
| 47 | P | 90.6 | Very high | 93.7 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 38% | 0.383 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.4 | -177.1 | 27.3 | -36.1 | 0 | 0 | 0 | 113.1 | ||
| 48 | M | 90.6 | Very high | 93.8 | Very high | 150 Ų | 150 | 62.2 Ų | 62.2 | 74% | 0.739 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 3.3 | 178.1 | -61.7 | -64.7 | 100.6 | 0 | 0 | 112.6 | D46 T50 | D46-M48 PolarHBondContact O-N 2.8Å; D46-M48 VanDerWaalsContact O-N 3.1Å; M48-T50 HydrophobicContact CB-CG2 3.91Å; M48-T50 PolarHBondContact O-N 2.92Å |
| 49 | H | 89.9 | Confident | 93.8 | Very high | 132 Ų | 132 | 61.1 Ų | 61.1 | 61% | 0.611 | 32% | 0.316 | S | S | * | . | trans | 50.5 | 41.9 | -179.3 | -60 | -54.4 | 0 | 0 | 0 | 113.5 | D46 G51 | D46-H49 PolarHBondContact O-N 3.43Å; D46-H49 PolarHBondContact OD1-N 2.95Å; D46-H49 WeakPolarHBondContact OD2-CA 3.43Å; H49-G51 PolarHBondContact O-N 2.97Å | ||
| 50 | T | 93.4 | Very high | 93.8 | Very high | 85 Ų | 85 | 60.3 Ų | 60.3 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | trans | -69.5 | -19.4 | 177.4 | 65.3 | 0 | 0 | 0 | 0 | 112.6 | D46 M48 Y52 | D46-T50 VanDerWaalsContact CG-N 3.32Å; D46-T50 WeakPolarHBondContact OD1-CB 3.43Å; D46-T50 PolarHBondContact OD1-N 2.86Å; D46-T50 PolarHBondContact OD1-OG1 3.01Å; D46-T50 PolarHBondContact OD2-N 2.96Å; D46-T50 VanDerWaalsContact OD2-N 3.09Å; M48-T50 HydrophobicContact CB-CG2 3.91Å; M48-T50 PolarHBondContact O-N 2.92Å; T50-Y52 VanDerWaalsContact C-N 3.32Å; T50-Y52 WeakPolarHBondContact O-CD2 3.45Å; T50-Y52 PolarHBondContact OG1-N 3.43Å; T50-Y52 PolarHBondContact OG1-O 3.22Å; T50-Y52 VanDerWaalsContact OG1-O 3.11Å | ||
| 51 | G | 94.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 60.2 Ų | 60.2 | 27% | 0.268 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 88.2 | -1.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M21 D46 H49 | M21-G51 PolarHBondContact N-O 3.24Å; D46-G51 PolarHBondContact OD2-N 3.47Å; H49-G51 PolarHBondContact O-N 2.97Å |
| 52 | Y | 95.7 | Very high | 93.7 | Very high | 130 Ų | 130 | 62 Ų | 62 | 51% | 0.51 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141 | -177.9 | -58.3 | -86.5 | 0 | 0 | 0 | 111.9 | I19 T50 | I19-Y52 CarbonylContact O-C 3.26Å; I19-Y52 WeakPolarHBondContact O-CA 3.49Å; T50-Y52 VanDerWaalsContact C-N 3.32Å; T50-Y52 WeakPolarHBondContact O-CD2 3.45Å; T50-Y52 PolarHBondContact OG1-N 3.43Å; T50-Y52 PolarHBondContact OG1-O 3.22Å; T50-Y52 VanDerWaalsContact OG1-O 3.11Å |
| 53 | I | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114.7 | 170 | -60.6 | 172.3 | 0 | 0 | 0 | 107.5 | F8 K18 I19 M21 L24 W41 F45 D46 F58 | F8-I53 HydrophobicContact CE2-CG2 4.11Å; K18-I53 CarbonylContact C-O 3.56Å; K18-I53 WeakPolarHBondContact CA-O 3.17Å; I19-I53 HydrophobicContact CB-CB 4.42Å; I19-I53 PolarHBondContact N-O 3.36Å; I19-I53 PolarHBondContact O-N 2.95Å; M21-I53 HydrophobicContact CE-CD1 3.9Å; M21-I53 HydrophobicContact CE-CG1 3.71Å; L24-I53 HydrophobicContact CD2-CD1 4.17Å; W41-I53 HydrophobicContact CB-CD1 3.92Å; W41-I53 HydrophobicContact CE3-CD1 3.98Å; F45-I53 HydrophobicContact CB-CB 4.36Å; F45-I53 HydrophobicContact CB-CD1 4.21Å; F45-I53 HydrophobicContact CB-CG1 4.06Å; F45-I53 HydrophobicContact CB-CG2 3.47Å; F45-I53 VanDerWaalsContact CB-CG2 3.47Å; F45-I53 HydrophobicContact CD2-CD1 4.47Å; F45-I53 HydrophobicContact CG-CG2 4.2Å; D46-I53 HydrophobicContact CB-CG1 4.24Å; I53-F58 HydrophobicContact CG2-CD2 3.99Å |
| 54 | T | 95.5 | Very high | 93.5 | Very high | 48 Ų | 48 | 57.7 Ų | 57.7 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 149.1 | 179.3 | 67.3 | 0 | 0 | 0 | 0 | 111 | E17 K18 T56 K57 F58 | E17-T54 WeakPolarHBondContact O-CA 3.33Å; K18-T54 HydrophobicContact CG-CG2 4.23Å; T54-T56 PolarHBondContact O-N 3.5Å; T54-K57 PolarHBondContact O-N 3.04Å; T54-K57 VanDerWaalsContact O-N 3.12Å; T54-K57 WeakPolarHBondContact OG1-CB 3.34Å; T54-K57 PolarHBondContact OG1-N 3.26Å; T54-F58 WeakPolarHBondContact O-CB 3.37Å; T54-F58 PolarHBondContact O-N 2.98Å |
| 55 | L | 95 | Very high | 93.5 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.5 | -37.1 | 175.5 | -177 | 62.2 | 0 | 0 | 0 | 111.4 | L5 F8 F9 E17 F58 C59 M66 A69 | L5-L55 HydrophobicContact CD2-CD1 4.09Å; F8-L55 HydrophobicContact CD1-CD1 3.9Å; F8-L55 HydrophobicContact CE1-CB 3.94Å; F8-L55 HydrophobicContact CE1-CD1 3.94Å; F8-L55 HydrophobicContact CE1-CG 4.47Å; F8-L55 HydrophobicContact CE2-CB 4.36Å; F8-L55 HydrophobicContact CG-CD1 4.25Å; F8-L55 HydrophobicContact CZ-CB 3.75Å; F8-L55 HydrophobicContact CZ-CD1 4.3Å; F8-L55 VanDerWaalsContact CZ-N 3.34Å; F9-L55 HydrophobicContact CE1-CD1 3.8Å; F9-L55 HydrophobicContact CE1-CD2 4.11Å; F9-L55 HydrophobicContact CZ-CD1 4.02Å; F9-L55 HydrophobicContact CZ-CD2 4.46Å; E17-L55 HydrophobicContact CB-CB 3.84Å; E17-L55 HydrophobicContact CB-CD2 4.28Å; E17-L55 HydrophobicContact CG-CB 4.47Å; E17-L55 HydrophobicContact CG-CD2 4Å; E17-L55 PolarHBondContact O-N 2.89Å; L55-F58 PolarHBondContact O-N 2.97Å; L55-C59 WeakPolarHBondContact O-CB 3.3Å; L55-C59 PolarHBondContact O-N 3.07Å; L55-C59 PolarHBondContact O-SG 3.27Å; L55-M66 HydrophobicContact CD2-CE 4.28Å; L55-M66 HydrophobicContact CG-CE 4.32Å; L55-M66 HydrophobicContact CG-SD 4.49Å; L55-A69 HydrophobicContact CD1-CB 4.47Å |
| 56 | T | 94.3 | Very high | 93.4 | Very high | 82 Ų | 82 | 62.2 Ų | 62.2 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.1 | -49 | 177.9 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | T54 F58 C59 D60 | T54-T56 PolarHBondContact O-N 3.5Å; T56-F58 VanDerWaalsContact C-N 3.35Å; T56-C59 PolarHBondContact O-N 2.89Å; T56-D60 WeakPolarHBondContact O-CB 3.33Å; T56-D60 PolarHBondContact O-N 3.35Å |
| 57 | K | 93.8 | Very high | 93.3 | Very high | 69 Ų | 69 | 68.7 Ų | 68.7 | 30% | 0.3 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.3 | -36.3 | 179.3 | -173.9 | 56.4 | -174.3 | 168.9 | 0 | 112.1 | F45 T54 D60 V61 | F45-K57 WeakPolarHBondContact O-CG 3.26Å; T54-K57 PolarHBondContact O-N 3.04Å; T54-K57 VanDerWaalsContact O-N 3.12Å; T54-K57 WeakPolarHBondContact OG1-CB 3.34Å; T54-K57 PolarHBondContact OG1-N 3.26Å; K57-D60 IonicContact NZ-OD2 2.73Å; K57-D60 PolarHBondContact NZ-OD2 3.15Å; K57-D60 PolarHBondContact O-N 2.69Å; K57-V61 HydrophobicContact CD-CG2 4.28Å; K57-V61 WeakPolarHBondContact O-CG2 3.37Å; K57-V61 PolarHBondContact O-N 3.17Å; K57-V61 VanDerWaalsContact O-N 3.08Å |
| 58 | F | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 175.7 | -162.6 | -95.1 | 0 | 0 | 0 | 111.6 | F4 L5 F8 W41 F45 I53 T54 L55 T56 L62 | F4-F58 HydrophobicContact CB-CE1 3.84Å; F4-F58 HydrophobicContact CB-CZ 3.85Å; F4-F58 WeakPolarHBondContact O-CE1 3.28Å; F4-F58 WeakPolarHBondContact O-CZ 3.39Å; L5-F58 HydrophobicContact CD2-CD1 4.28Å; L5-F58 HydrophobicContact CD2-CE1 4.43Å; F8-F58 HydrophobicContact CB-CD1 4.2Å; F8-F58 HydrophobicContact CB-CE1 3.88Å; F8-F58 HydrophobicContact CB-CE2 4.46Å; F8-F58 HydrophobicContact CB-CZ 4.02Å; F8-F58 HydrophobicContact CD2-CB 3.94Å; F8-F58 AromaticContact CD2-CD1 3.97Å; F8-F58 HydrophobicContact CD2-CD1 3.97Å; F8-F58 AromaticContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CE1 4.36Å; F8-F58 HydrophobicContact CD2-CE2 4.12Å; F8-F58 AromaticContact CD2-CG 3.61Å; F8-F58 HydrophobicContact CD2-CG 3.61Å; F8-F58 HydrophobicContact CD2-CZ 4.42Å; F8-F58 HydrophobicContact CE2-CB 4.09Å; F8-F58 HydrophobicContact CE2-CD2 4.41Å; F8-F58 HydrophobicContact CE2-CG 4.25Å; F8-F58 HydrophobicContact CG-CD1 4.36Å; F8-F58 HydrophobicContact CG-CG 4.44Å; W41-F58 HydrophobicContact CE3-CE2 4.15Å; W41-F58 AromaticContact CH2-CE2 3.91Å; W41-F58 HydrophobicContact CH2-CE2 3.91Å; W41-F58 HydrophobicContact CH2-CZ 4.05Å; W41-F58 HydrophobicContact CZ2-CE2 4.29Å; W41-F58 HydrophobicContact CZ2-CZ 4.36Å; W41-F58 AromaticContact CZ3-CE2 3.83Å; W41-F58 HydrophobicContact CZ3-CE2 3.83Å; W41-F58 HydrophobicContact CZ3-CZ 4.41Å; F45-F58 HydrophobicContact CB-CD2 4.39Å; F45-F58 AromaticContact CD1-CD2 3.66Å; F45-F58 HydrophobicContact CD1-CD2 3.66Å; F45-F58 HydrophobicContact CD1-CE2 4.24Å; F45-F58 HydrophobicContact CD1-CG 4.28Å; F45-F58 AromaticContact CD2-CD2 3.71Å; F45-F58 HydrophobicContact CD2-CD2 3.71Å; F45-F58 AromaticContact CD2-CE2 3.71Å; F45-F58 HydrophobicContact CD2-CE2 3.71Å; F45-F58 AromaticContact CE1-CD2 3.71Å; F45-F58 HydrophobicContact CE1-CD2 3.71Å; F45-F58 AromaticContact CE1-CE2 3.92Å; F45-F58 HydrophobicContact CE1-CE2 3.92Å; F45-F58 HydrophobicContact CE1-CG 4.27Å; F45-F58 AromaticContact CE2-CD2 3.77Å; F45-F58 HydrophobicContact CE2-CD2 3.77Å; F45-F58 AromaticContact CE2-CE2 3.37Å; F45-F58 HydrophobicContact CE2-CE2 3.37Å; F45-F58 HydrophobicContact CE2-CZ 4.29Å; F45-F58 AromaticContact CG-CD2 3.66Å; F45-F58 HydrophobicContact CG-CD2 3.66Å; F45-F58 HydrophobicContact CG-CE2 4.15Å; F45-F58 AromaticContact CZ-CD2 3.77Å; F45-F58 HydrophobicContact CZ-CD2 3.77Å; F45-F58 AromaticContact CZ-CE2 3.48Å; F45-F58 HydrophobicContact CZ-CE2 3.48Å; F45-F58 VanDerWaalsContact CZ-CE2 3.48Å; F45-F58 HydrophobicContact CZ-CZ 4.12Å; I53-F58 HydrophobicContact CG2-CD2 3.99Å; T54-F58 WeakPolarHBondContact O-CB 3.37Å; T54-F58 PolarHBondContact O-N 2.98Å; L55-F58 PolarHBondContact O-N 2.97Å; T56-F58 VanDerWaalsContact C-N 3.35Å; F58-L62 HydrophobicContact CD1-CD1 3.56Å; F58-L62 HydrophobicContact CE1-CD1 3.26Å; F58-L62 HydrophobicContact CE1-CG 4.49Å; F58-L62 HydrophobicContact CG-CD1 4.42Å; F58-L62 HydrophobicContact CZ-CD1 3.92Å; F58-L62 WeakPolarHBondContact O-CG 3.42Å; F58-L62 PolarHBondContact O-N 3.19Å; F58-L62 VanDerWaalsContact O-N 3.15Å |
| 59 | C | 94.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 176.7 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | L55 T56 V61 L62 G63 V64 M66 A69 | L55-C59 WeakPolarHBondContact O-CB 3.3Å; L55-C59 PolarHBondContact O-N 3.07Å; L55-C59 PolarHBondContact O-SG 3.27Å; T56-C59 PolarHBondContact O-N 2.89Å; C59-V61 PolarHBondContact O-N 2.81Å; C59-L62 PolarHBondContact O-N 2.95Å; C59-G63 PolarHBondContact O-N 3.39Å; C59-V64 HydrophobicContact CB-CB 4.36Å; C59-V64 WeakPolarHBondContact CB-O 3.45Å; C59-V64 PolarHBondContact O-N 2.67Å; C59-M66 HydrophobicContact CB-SD 3.81Å; C59-A69 WeakPolarHBondContact SG-CB 3.28Å |
| 60 | D | 93.3 | Very high | 93.5 | Very high | 106 Ų | 106 | 62.1 Ų | 62.1 | 57% | 0.567 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56.3 | -47.5 | 176 | 175.8 | 56.7 | 0 | 0 | 0 | 111.8 | T56 K57 G63 | T56-D60 WeakPolarHBondContact O-CB 3.33Å; T56-D60 PolarHBondContact O-N 3.35Å; K57-D60 IonicContact NZ-OD2 2.73Å; K57-D60 PolarHBondContact NZ-OD2 3.15Å; K57-D60 PolarHBondContact O-N 2.69Å; D60-G63 PolarHBondContact O-N 2.72Å |
| 61 | V | 93 | Very high | 93.4 | Very high | 58 Ų | 58 | 63.9 Ų | 63.9 | 35% | 0.352 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.1 | -36.6 | -179.8 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | L44 F45 K57 C59 G63 | L44-V61 WeakPolarHBondContact O-CG2 3.3Å; F45-V61 HydrophobicContact CD1-CB 3.85Å; F45-V61 HydrophobicContact CD1-CG1 3.93Å; F45-V61 HydrophobicContact CD1-CG2 4.11Å; F45-V61 HydrophobicContact CE1-CB 3.85Å; F45-V61 HydrophobicContact CE1-CG1 3.64Å; K57-V61 HydrophobicContact CD-CG2 4.28Å; K57-V61 WeakPolarHBondContact O-CG2 3.37Å; K57-V61 PolarHBondContact O-N 3.17Å; K57-V61 VanDerWaalsContact O-N 3.08Å; C59-V61 PolarHBondContact O-N 2.81Å; V61-G63 VanDerWaalsContact C-N 3.34Å |
| 62 | L | 92.4 | Very high | 93.1 | Very high | 55 Ų | 55 | 63 Ų | 63 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -84.5 | -5.8 | -179.9 | -64.2 | 177.2 | 0 | 0 | 0 | 113.9 | F4 F45 F58 C59 V64 | F4-L62 HydrophobicContact CB-CD1 3.47Å; F4-L62 VanDerWaalsContact CB-CD1 3.47Å; F4-L62 HydrophobicContact CB-CD2 4.5Å; F4-L62 HydrophobicContact CD2-CD2 4.31Å; F4-L62 HydrophobicContact CG-CD1 4.1Å; F4-L62 HydrophobicContact CG-CD2 4.24Å; F45-L62 HydrophobicContact CE1-CD2 4.34Å; F45-L62 HydrophobicContact CE1-CG 4.21Å; F45-L62 HydrophobicContact CZ-CD2 4.38Å; F58-L62 HydrophobicContact CD1-CD1 3.56Å; F58-L62 HydrophobicContact CE1-CD1 3.26Å; F58-L62 HydrophobicContact CE1-CG 4.49Å; F58-L62 HydrophobicContact CG-CD1 4.42Å; F58-L62 HydrophobicContact CZ-CD1 3.92Å; F58-L62 WeakPolarHBondContact O-CG 3.42Å; F58-L62 PolarHBondContact O-N 3.19Å; F58-L62 VanDerWaalsContact O-N 3.15Å; C59-L62 PolarHBondContact O-N 2.95Å; L62-V64 VanDerWaalsContact C-N 3.27Å; L62-V64 HydrophobicContact CB-CG2 3.89Å; L62-V64 PolarHBondContact O-N 3.08Å |
| 63 | G | 92.5 | Very high | 92.7 | Very high | 68 Ų | 68 | 57.7 Ų | 57.7 | 70% | 0.701 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 24.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | C59 D60 V61 | C59-G63 PolarHBondContact O-N 3.39Å; D60-G63 PolarHBondContact O-N 2.72Å; V61-G63 VanDerWaalsContact C-N 3.34Å |
| 64 | V | 92.2 | Very high | 92.3 | Very high | 33 Ų | 33 | 61.8 Ų | 61.8 | 20% | 0.2 | 32% | 0.323 | C | S | . | . | trans | -92.4 | 136.1 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | L5 C59 L62 A69 | L5-V64 HydrophobicContact CD1-CG1 4.11Å; C59-V64 HydrophobicContact CB-CB 4.36Å; C59-V64 WeakPolarHBondContact CB-O 3.45Å; C59-V64 PolarHBondContact O-N 2.67Å; L62-V64 VanDerWaalsContact C-N 3.27Å; L62-V64 HydrophobicContact CB-CG2 3.89Å; L62-V64 PolarHBondContact O-N 3.08Å; V64-A69 HydrophobicContact CG1-CB 4.33Å | ||
| 65 | K | 93.1 | Very high | 91.7 | Very high | 149 Ų | 149 | 65 Ų | 65 | 65% | 0.648 | 34% | 0.335 | S | S | * | . | trans | -72.2 | 136.3 | 175.3 | -64.5 | -179 | -179.8 | 178.4 | 0 | 110.6 | E67 D68 A69 | K65-E67 PolarHBondContact O-N 2.97Å; K65-D68 HydrophobicContact CB-CB 4.47Å; K65-D68 PolarHBondContact O-N 2.97Å; K65-A69 PolarHBondContact O-N 3.35Å | ||
| 66 | M | 93.5 | Very high | 90.9 | Very high | 48 Ų | 48 | 67 Ų | 67 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.5 | -32.8 | 178.6 | -79.5 | -60.5 | -67.9 | 0 | 0 | 113.8 | L55 C59 A69 R70 | L55-M66 HydrophobicContact CD2-CE 4.28Å; L55-M66 HydrophobicContact CG-CE 4.32Å; L55-M66 HydrophobicContact CG-SD 4.49Å; C59-M66 HydrophobicContact CB-SD 3.81Å; M66-A69 PolarHBondContact O-N 3.39Å; M66-R70 WeakPolarHBondContact O-CB 3.21Å; M66-R70 WeakPolarHBondContact O-CG 3.32Å; M66-R70 PolarHBondContact O-N 2.98Å |
| 67 | E | 91.7 | Very high | 89.9 | Confident | 142 Ų | 142 | 68.1 Ų | 68.1 | 66% | 0.664 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 175.6 | -64.8 | -178.4 | 177.1 | 0 | 0 | 112.1 | K65 R70 K71 | K65-E67 PolarHBondContact O-N 2.97Å; E67-R70 PolarHBondContact O-N 3.27Å; E67-K71 WeakPolarHBondContact O-CG 3.33Å; E67-K71 PolarHBondContact O-N 3.11Å |
| 68 | D | 91.8 | Very high | 88.8 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.7 | -37.1 | 178.4 | -62.8 | -33.6 | 0 | 0 | 0 | 110.7 | K65 K71 A72 | K65-D68 HydrophobicContact CB-CB 4.47Å; K65-D68 PolarHBondContact O-N 2.97Å; D68-K71 PolarHBondContact O-N 2.91Å; D68-A72 WeakPolarHBondContact O-CB 3.41Å; D68-A72 PolarHBondContact O-N 2.88Å |
| 69 | A | 92.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L5 F9 L55 C59 V64 K65 M66 A72 K73 | L5-A69 HydrophobicContact CD1-CB 4.19Å; L5-A69 HydrophobicContact CD2-CB 4.08Å; F9-A69 WeakPolarHBondContact CZ-O 3.31Å; L55-A69 HydrophobicContact CD1-CB 4.47Å; C59-A69 WeakPolarHBondContact SG-CB 3.28Å; V64-A69 HydrophobicContact CG1-CB 4.33Å; K65-A69 PolarHBondContact O-N 3.35Å; M66-A69 PolarHBondContact O-N 3.39Å; A69-A72 CarbonylContact O-C 3.59Å; A69-A72 WeakPolarHBondContact O-CB 3.12Å; A69-A72 PolarHBondContact O-N 2.99Å; A69-K73 PolarHBondContact O-N 3.29Å |
| 70 | R | 91.9 | Very high | 85.1 | Confident | 128 Ų | 128 | 82.5 Ų | 82.5 | 48% | 0.483 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69 | -38.9 | 175.9 | -75.6 | 178.4 | 173.3 | 162.3 | 1.7 | 112.6 | E17 M66 E67 A72 K73 D74 | E17-R70 IonicContact OE1-NE 2.77Å; E17-R70 IonicContact OE2-NE 3.97Å; E17-R70 IonicContact OE2-NH2 3.95Å; M66-R70 WeakPolarHBondContact O-CB 3.21Å; M66-R70 WeakPolarHBondContact O-CG 3.32Å; M66-R70 PolarHBondContact O-N 2.98Å; E67-R70 PolarHBondContact O-N 3.27Å; R70-A72 VanDerWaalsContact C-N 3.32Å; R70-A72 PolarHBondContact O-N 3.4Å; R70-K73 WeakPolarHBondContact O-CB 3.32Å; R70-K73 PolarHBondContact O-N 3.03Å; R70-D74 PolarHBondContact O-N 3.35Å |
| 71 | K | 90.7 | Very high | 83.3 | Confident | 121 Ų | 121 | 80.3 Ų | 80.3 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 169.7 | -73.9 | 172.5 | -172.9 | 167 | 0 | 111.2 | E67 D68 K73 D74 E75 | E67-K71 WeakPolarHBondContact O-CG 3.33Å; E67-K71 PolarHBondContact O-N 3.11Å; D68-K71 PolarHBondContact O-N 2.91Å; K71-K73 VanDerWaalsContact C-N 3.32Å; K71-K73 PolarHBondContact O-N 3.5Å; K71-D74 PolarHBondContact O-N 3.46Å; K71-E75 WeakPolarHBondContact O-CB 3.44Å; K71-E75 WeakPolarHBondContact O-CG 3.31Å; K71-E75 PolarHBondContact O-N 3.32Å |
| 72 | A | 88.6 | Confident | 81.6 | Confident | 9 Ų | 9 | 81.8 Ų | 81.8 | 7% | 0.074 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 L5 F9 D68 A69 R70 E75 F76 | M1-A72 HydrophobicContact CE-CB 4.47Å; M1-A72 VanDerWaalsContact CE-O 3.29Å; M1-A72 WeakPolarHBondContact CE-O 2.91Å; M1-A72 HydrophobicContact CG-CB 4.48Å; L5-A72 HydrophobicContact CD1-CB 4.03Å; F9-A72 HydrophobicContact CE2-CB 4.14Å; D68-A72 WeakPolarHBondContact O-CB 3.41Å; D68-A72 PolarHBondContact O-N 2.88Å; A69-A72 CarbonylContact O-C 3.59Å; A69-A72 WeakPolarHBondContact O-CB 3.12Å; A69-A72 PolarHBondContact O-N 2.99Å; R70-A72 VanDerWaalsContact C-N 3.32Å; R70-A72 PolarHBondContact O-N 3.4Å; A72-E75 CarbonylContact O-C 3.6Å; A72-E75 PolarHBondContact O-N 3.4Å; A72-F76 VanDerWaalsContact O-CB 3.24Å; A72-F76 WeakPolarHBondContact O-CB 3.45Å; A72-F76 PolarHBondContact O-N 3.09Å |
| 73 | K | 87.5 | Confident | 80.5 | Confident | 17 Ų | 17 | 84.5 Ų | 84.5 | 7% | 0.074 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 172.7 | -170.8 | -175.5 | -176.4 | -177.1 | 0 | 111.2 | F9 H15 E17 A69 R70 K71 E75 F76 K77 | F9-K73 HydrophobicContact CD1-CB 4.44Å; F9-K73 HydrophobicContact CD1-CG 4.18Å; F9-K73 HydrophobicContact CE1-CB 3.8Å; F9-K73 HydrophobicContact CE1-CD 4.28Å; F9-K73 HydrophobicContact CE1-CG 3.87Å; F9-K73 HydrophobicContact CE2-CB 4.15Å; F9-K73 HydrophobicContact CZ-CB 3.64Å; F9-K73 HydrophobicContact CZ-CG 4.24Å; H15-K73 PolarHBondContact O-NZ 3.01Å; E17-K73 HydrophobicContact CG-CD 4.43Å; E17-K73 IonicContact OE1-NZ 3.16Å; E17-K73 PolarHBondContact OE1-NZ 3.38Å; A69-K73 PolarHBondContact O-N 3.29Å; R70-K73 WeakPolarHBondContact O-CB 3.32Å; R70-K73 PolarHBondContact O-N 3.03Å; K71-K73 VanDerWaalsContact C-N 3.32Å; K71-K73 PolarHBondContact O-N 3.5Å; K73-E75 VanDerWaalsContact C-N 3.34Å; K73-E75 PolarHBondContact O-N 2.87Å; K73-F76 WeakPolarHBondContact O-CB 3.4Å; K73-F76 PolarHBondContact O-N 3.32Å; K73-K77 WeakPolarHBondContact O-CB 3.31Å; K73-K77 WeakPolarHBondContact O-CG 3.39Å; K73-K77 PolarHBondContact O-N 3.36Å |
| 74 | D | 85.5 | Confident | 80 | Confident | 86 Ų | 86 | 82.8 Ų | 82.8 | 46% | 0.46 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 177.1 | -70.9 | -19.5 | 0 | 0 | 0 | 111.7 | R70 K71 K77 K78 | R70-D74 PolarHBondContact O-N 3.35Å; K71-D74 PolarHBondContact O-N 3.46Å; D74-K77 PolarHBondContact O-N 2.86Å; D74-K78 VanDerWaalsContact O-CB 3.3Å; D74-K78 WeakPolarHBondContact O-CB 3.4Å; D74-K78 WeakPolarHBondContact O-CG 3.26Å; D74-K78 PolarHBondContact O-N 3.23Å |
| 75 | E | 83.3 | Confident | 79.4 | Confident | 116 Ų | 116 | 82.9 Ų | 82.9 | 54% | 0.542 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -39 | 172.5 | -74.2 | 178.7 | -179.6 | 0 | 0 | 112.2 | M1 K71 A72 K73 K77 K78 R79 | M1-E75 HydrophobicContact CE-CB 4.46Å; K71-E75 WeakPolarHBondContact O-CB 3.44Å; K71-E75 WeakPolarHBondContact O-CG 3.31Å; K71-E75 PolarHBondContact O-N 3.32Å; A72-E75 CarbonylContact O-C 3.6Å; A72-E75 PolarHBondContact O-N 3.4Å; K73-E75 VanDerWaalsContact C-N 3.34Å; K73-E75 PolarHBondContact O-N 2.87Å; E75-K77 VanDerWaalsContact C-N 3.33Å; E75-K78 CarbonylContact O-C 3.58Å; E75-K78 PolarHBondContact O-N 2.83Å; E75-K78 VanDerWaalsContact O-N 3.15Å; E75-R79 PolarHBondContact O-N 3.47Å |
| 76 | F | 77.5 | Confident | 78.8 | Confident | 43 Ų | 43 | 81.4 Ų | 81.4 | 19% | 0.189 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176 | -169.1 | -94.4 | 0 | 0 | 0 | 110.5 | M1 H6 F9 A10 A72 K73 K78 R79 | M1-F76 HydrophobicContact CE-CB 3.62Å; M1-F76 HydrophobicContact CE-CD2 3.82Å; M1-F76 HydrophobicContact CE-CG 4.23Å; M1-F76 HydrophobicContact SD-CD2 3.73Å; H6-F76 AromaticContact CD2-CE2 3.6Å; H6-F76 AromaticContact NE2-CE2 3.71Å; F9-F76 HydrophobicContact CB-CD1 3.61Å; F9-F76 HydrophobicContact CB-CD2 4.04Å; F9-F76 HydrophobicContact CB-CE1 3.63Å; F9-F76 HydrophobicContact CB-CE2 4.06Å; F9-F76 HydrophobicContact CB-CG 3.81Å; F9-F76 HydrophobicContact CB-CZ 3.86Å; F9-F76 HydrophobicContact CD2-CB 4.14Å; F9-F76 HydrophobicContact CD2-CD2 4.35Å; F9-F76 HydrophobicContact CD2-CG 4.17Å; F9-F76 HydrophobicContact CG-CD1 4.42Å; F9-F76 HydrophobicContact CG-CG 4.33Å; F9-F76 WeakPolarHBondContact O-CE1 3.39Å; A10-F76 HydrophobicContact CB-CZ 4.44Å; A72-F76 VanDerWaalsContact O-CB 3.24Å; A72-F76 WeakPolarHBondContact O-CB 3.45Å; A72-F76 PolarHBondContact O-N 3.09Å; K73-F76 WeakPolarHBondContact O-CB 3.4Å; K73-F76 PolarHBondContact O-N 3.32Å; F76-K78 VanDerWaalsContact C-N 3.32Å; F76-K78 PolarHBondContact O-N 3.4Å; F76-R79 PolarHBondContact O-N 2.58Å |
| 77 | K | 75.1 | Confident | 78.5 | Confident | 105 Ų | 105 | 80.9 Ų | 80.9 | 46% | 0.457 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.9 | -31.3 | 172.7 | -72 | 179.8 | 176.1 | -169.4 | 0 | 113.1 | K73 D74 E75 | K73-K77 WeakPolarHBondContact O-CB 3.31Å; K73-K77 WeakPolarHBondContact O-CG 3.39Å; K73-K77 PolarHBondContact O-N 3.36Å; D74-K77 PolarHBondContact O-N 2.86Å; E75-K77 VanDerWaalsContact C-N 3.33Å |
| 78 | K | 69.1 | Low | 78.5 | Confident | 166 Ų | 166 | 74.9 Ų | 74.9 | 72% | 0.722 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -86 | -13.3 | 178.5 | -75.4 | 173.4 | -174.1 | 177 | 0 | 113.9 | D74 E75 F76 P80 | D74-K78 VanDerWaalsContact O-CB 3.3Å; D74-K78 WeakPolarHBondContact O-CB 3.4Å; D74-K78 WeakPolarHBondContact O-CG 3.26Å; D74-K78 PolarHBondContact O-N 3.23Å; E75-K78 CarbonylContact O-C 3.58Å; E75-K78 PolarHBondContact O-N 2.83Å; E75-K78 VanDerWaalsContact O-N 3.15Å; F76-K78 VanDerWaalsContact C-N 3.32Å; F76-K78 PolarHBondContact O-N 3.4Å; K78-P80 VanDerWaalsContact O-N 3.08Å |
| 79 | R | 61.1 | Low | 78.5 | Confident | 119 Ų | 119 | 78 Ų | 78 | 45% | 0.449 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -50.9 | 125.2 | 171.8 | -82.9 | -176.1 | 176.9 | -175.2 | 1.4 | 106.1 | H6 E75 F76 A81 | H6-R79 PolarHBondContact CD2-NH1 2.97Å; H6-R79 PolarHBondContact NE2-NH1 3.25Å; E75-R79 PolarHBondContact O-N 3.47Å; F76-R79 PolarHBondContact O-N 2.58Å; R79-A81 PolarHBondContact O-N 2.7Å |
| 80 | P | 51.1 | Low | 78.6 | Confident | 88 Ų | 88 | 80.8 Ų | 80.8 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | trans | -54.5 | 127 | -174.7 | 21.1 | -30.7 | 0 | 0 | 0 | 106.5 | K78 N82 | K78-P80 VanDerWaalsContact O-N 3.08Å; P80-N82 HydrophobicContact CB-CB 4.2Å; P80-N82 PolarHBondContact O-N 3.13Å | ||
| 81 | A | 55 | Low | 78.8 | Confident | 59 Ų | 59 | 78 Ų | 78 | 49% | 0.488 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 48.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R79 I101 | R79-A81 PolarHBondContact O-N 2.7Å; A81-I101 WeakPolarHBondContact O-CD1 3.42Å |
| 82 | N | 57.5 | Low | 79 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 6.7 | -174.4 | -71.4 | 3.9 | 0 | 0 | 0 | 111.3 | P80 I97 | P80-N82 HydrophobicContact CB-CB 4.2Å; P80-N82 PolarHBondContact O-N 3.13Å; N82-I97 HydrophobicContact CB-CG1 4.3Å; N82-I97 HydrophobicContact CB-CG2 4.09Å; N82-I97 VanDerWaalsContact O-CG1 3.32Å; N82-I97 WeakPolarHBondContact O-CG1 3.43Å |
| 83 | T | 70.2 | Confident | 79.3 | Confident | 111 Ų | 111 | 78.6 Ų | 78.6 | 68% | 0.681 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -116.9 | 119 | 169.6 | 51.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 84 | L | 80.4 | Confident | 79.7 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 17% | 0.168 | 43% | 0.425 | C | S | . | . | trans | -62.6 | 151.8 | 167.1 | -75.1 | 116.3 | 0 | 0 | 0 | 110.1 | I88 I90 I97 Q100 I101 F159 | L84-I88 HydrophobicContact CB-CB 4.47Å; L84-I88 HydrophobicContact CB-CD1 4.28Å; L84-I88 HydrophobicContact CD2-CB 4.21Å; L84-I88 HydrophobicContact CD2-CD1 3.88Å; L84-I88 HydrophobicContact CD2-CG2 3.71Å; L84-I90 HydrophobicContact CD1-CD1 3.53Å; L84-I90 HydrophobicContact CD1-CG1 4.17Å; L84-I97 HydrophobicContact CD1-CD1 3.27Å; L84-I97 HydrophobicContact CG-CD1 4.07Å; L84-Q100 HydrophobicContact CD1-CB 4.4Å; L84-Q100 HydrophobicContact CD2-CB 4.21Å; L84-I101 HydrophobicContact CG-CG1 3.94Å; L84-F159 HydrophobicContact CD2-CZ 4.02Å | ||
| 85 | A | 81.3 | Confident | 80 | Confident | 35 Ų | 35 | 77.6 Ų | 77.6 | 29% | 0.289 | 41% | 0.407 | S | S | . | . | trans | -55.2 | 142.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | D87 I88 | A85-D87 WeakPolarHBondContact CB-OD1 3.43Å; A85-D87 PolarHBondContact O-N 3.12Å; A85-D87 VanDerWaalsContact O-N 3.13Å; A85-I88 HydrophobicContact CB-CD1 3.82Å; A85-I88 HydrophobicContact CB-CG1 4.3Å; A85-I88 WeakPolarHBondContact O-CB 3.49Å; A85-I88 PolarHBondContact O-N 3.47Å | ||
| 86 | S | 80.7 | Confident | 80.4 | Confident | 118 Ų | 118 | 74.7 Ų | 74.7 | 83% | 0.825 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.8 | -171.5 | 47.7 | 0 | 0 | 0 | 0 | 114.6 | I88 | S86-I88 VanDerWaalsContact C-N 3.34Š|
| 87 | D | 86 | Confident | 80.8 | Confident | 37 Ų | 37 | 75 Ų | 75 | 20% | 0.198 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -3.1 | 176.8 | 67.2 | -29.7 | 0 | 0 | 0 | 113.3 | T30 A85 R108 L163 | T30-D87 VanDerWaalsContact CG2-OD2 3.28Å; T30-D87 WeakPolarHBondContact CG2-OD2 3.42Å; A85-D87 WeakPolarHBondContact CB-OD1 3.43Å; A85-D87 PolarHBondContact O-N 3.12Å; A85-D87 VanDerWaalsContact O-N 3.13Å; D87-R108 VanDerWaalsContact CG-NH2 3.34Å; D87-R108 IonicContact OD1-CZ 3.01Å; D87-R108 IonicContact OD1-NH1 3.04Å; D87-R108 IonicContact OD1-NH2 3.81Å; D87-R108 PolarHBondContact OD1-NH2 3.4Å; D87-R108 IonicContact OD2-CZ 3.71Å; D87-R108 IonicContact OD2-NH1 3.64Å; D87-R108 PolarHBondContact OD2-NH1 3.46Å; D87-R108 IonicContact OD2-NH2 3.67Å; D87-R108 PolarHBondContact OD2-NH2 2.71Å; D87-R108 VanDerWaalsContact OD2-NH2 3.16Å; D87-L163 WeakPolarHBondContact OD2-CD1 3.47Å |
| 88 | I | 91.5 | Very high | 81.3 | Confident | 16 Ų | 16 | 72.6 Ų | 72.6 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 115.8 | 175.7 | -60.2 | 161.9 | 0 | 0 | 0 | 109.3 | L84 A85 S86 S104 F161 L163 | L84-I88 HydrophobicContact CB-CB 4.47Å; L84-I88 HydrophobicContact CB-CD1 4.28Å; L84-I88 HydrophobicContact CD2-CB 4.21Å; L84-I88 HydrophobicContact CD2-CD1 3.88Å; L84-I88 HydrophobicContact CD2-CG2 3.71Å; A85-I88 HydrophobicContact CB-CD1 3.82Å; A85-I88 HydrophobicContact CB-CG1 4.3Å; A85-I88 WeakPolarHBondContact O-CB 3.49Å; A85-I88 PolarHBondContact O-N 3.47Å; S86-I88 VanDerWaalsContact C-N 3.34Å; I88-S104 VanDerWaalsContact CD1-OG 3.25Å; I88-S104 WeakPolarHBondContact CD1-OG 3.22Å; I88-F161 HydrophobicContact CG2-CB 3.89Å; I88-F161 HydrophobicContact CG2-CD2 3.91Å; I88-F161 HydrophobicContact CG2-CG 4.16Å; I88-L163 HydrophobicContact CG1-CD1 4.21Å |
| 89 | Y | 92.7 | Very high | 82.3 | Confident | 142 Ų | 142 | 66.7 Ų | 66.7 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 109.6 | 172.7 | -179.7 | -93 | 0 | 0 | 0 | 109.8 | I91 F161 R162 | Y89-I91 HydrophobicContact CD1-CG1 4.07Å; Y89-I91 HydrophobicContact CE1-CG1 4.23Å; Y89-I91 PolarHBondContact O-N 3.36Å; Y89-F161 CarbonylContact O-C 3.54Å; Y89-F161 VanDerWaalsContact O-CA 3.25Å; Y89-F161 WeakPolarHBondContact O-CA 3.34Å; Y89-R162 PolarHBondContact N-O 2.79Å; Y89-R162 PolarHBondContact O-N 2.88Å |
| 90 | I | 94.7 | Very high | 83.8 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 30% | 0.303 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.9 | 177.2 | -55.2 | 170.4 | 0 | 0 | 0 | 109.3 | L84 F159 | L84-I90 HydrophobicContact CD1-CD1 3.53Å; L84-I90 HydrophobicContact CD1-CG1 4.17Å; I90-F159 HydrophobicContact CG1-CE2 4.41Å; I90-F159 HydrophobicContact CG2-CE2 4.27Å |
| 91 | I | 95.6 | Very high | 85.6 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 35% | 0.349 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -48.4 | 175.4 | -56.7 | 169.6 | 0 | 0 | 0 | 109.8 | Y89 Y147 Q160 R162 C167 | Y89-I91 HydrophobicContact CD1-CG1 4.07Å; Y89-I91 HydrophobicContact CE1-CG1 4.23Å; Y89-I91 PolarHBondContact O-N 3.36Å; I91-Y147 HydrophobicContact CD1-CE1 3.97Å; I91-Y147 WeakPolarHBondContact CD1-OH 3.4Å; I91-Y147 WeakPolarHBondContact CG2-OH 3.32Å; I91-Q160 HydrophobicContact CB-CB 3.98Å; I91-Q160 PolarHBondContact N-O 2.93Å; I91-R162 HydrophobicContact CD1-CB 4.38Å; I91-C167 HydrophobicContact CD1-CB 4.36Å |
| 92 | A | 95.3 | Very high | 87.3 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 151.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q160 | A92-Q160 HydrophobicContact CB-CB 4.26Å; A92-Q160 HydrophobicContact CB-CG 4.41Å; A92-Q160 PolarHBondContact N-O 3.48Å; A92-Q160 VanDerWaalsContact N-O 3.17Å; A92-Q160 WeakPolarHBondContact O-CA 3.43Å; A92-Q160 PolarHBondContact O-N 3.4Å; A92-Q160 VanDerWaalsContact O-O 3.1Å |
| 93 | H | 95.4 | Very high | 89.1 | Confident | 100 Ų | 100 | 56.2 Ų | 56.2 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 151.2 | 175.7 | 68.3 | 97 | 0 | 0 | 0 | 112.6 | Q100 F159 | H93-Q100 PolarHBondContact ND1-NE2 3.04Å; H93-F159 HydrophobicContact CB-CD2 3.81Å; H93-F159 HydrophobicContact CB-CE2 4.4Å |
| 94 | Q | 94.2 | Very high | 90.3 | Very high | 65 Ų | 65 | 51 Ų | 51 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 84.6 | 160.9 | -167.5 | -171.4 | -9.9 | 0 | 0 | 107 | H153 N156 R157 S158 | Q94-H153 PolarHBondContact OE1-CD2 2.82Å; Q94-H153 PolarHBondContact OE1-NE2 2.96Å; Q94-N156 CarbonylContact O-C 3.49Å; Q94-N156 WeakPolarHBondContact O-CA 3.41Å; Q94-R157 PolarHBondContact O-N 3.35Å; Q94-S158 CarbonylContact C-O 3.45Å; Q94-S158 WeakPolarHBondContact CB-OG 3.46Å; Q94-S158 PolarHBondContact N-O 2.92Å; Q94-S158 PolarHBondContact O-N 2.94Å |
| 95 | M | 93.4 | Very high | 90.7 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -175.2 | 167.9 | 173.9 | 55 | 173.2 | 59.9 | 0 | 0 | 109.7 | D99 Q100 I103 W138 F159 | M95-D99 HydrophobicContact SD-CB 4.08Å; M95-Q100 HydrophobicContact CG-CG 3.74Å; M95-Q100 PolarHBondContact O-NE2 2.91Å; M95-Q100 HydrophobicContact SD-CG 4.02Å; M95-I103 HydrophobicContact CE-CD1 3.6Å; M95-I103 HydrophobicContact SD-CD1 3.48Å; M95-I103 WeakPolarHBondContact SD-CD1 3.45Å; M95-W138 HydrophobicContact CE-CH2 4.17Å; M95-W138 HydrophobicContact CE-CZ3 4.37Å; M95-F159 HydrophobicContact CE-CB 3.63Å; M95-F159 HydrophobicContact CG-CB 4.36Å; M95-F159 HydrophobicContact SD-CB 3.6Å; M95-F159 HydrophobicContact SD-CD1 4.14Å; M95-F159 HydrophobicContact SD-CG 3.97Å |
| 96 | S | 90.1 | Very high | 91.3 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | trans | -65.2 | 151.7 | 179.9 | 80.3 | 0 | 0 | 0 | 0 | 112.2 | T98 D99 Q100 | S96-T98 PolarHBondContact O-N 3.37Å; S96-D99 PolarHBondContact O-N 3.31Å; S96-D99 VanDerWaalsContact O-N 3.12Å; S96-D99 PolarHBondContact OG-N 3.19Å; S96-D99 VanDerWaalsContact OG-N 3.13Å; S96-D99 PolarHBondContact OG-OD2 3.03Å; S96-Q100 WeakPolarHBondContact O-CG 3.24Å; S96-Q100 PolarHBondContact O-N 2.89Å | ||
| 97 | I | 85.8 | Confident | 92 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 26% | 0.256 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.2 | -35.2 | 175.1 | -176 | 59.8 | 0 | 0 | 0 | 112.2 | N82 L84 D99 Q100 I101 | N82-I97 HydrophobicContact CB-CG1 4.3Å; N82-I97 HydrophobicContact CB-CG2 4.09Å; N82-I97 VanDerWaalsContact O-CG1 3.32Å; N82-I97 WeakPolarHBondContact O-CG1 3.43Å; L84-I97 HydrophobicContact CD1-CD1 3.27Å; L84-I97 HydrophobicContact CG-CD1 4.07Å; I97-D99 VanDerWaalsContact C-N 3.34Å; I97-D99 PolarHBondContact O-N 3.42Å; I97-Q100 WeakPolarHBondContact O-CB 3.32Å; I97-Q100 PolarHBondContact O-N 3.01Å; I97-I101 HydrophobicContact CD1-CD1 4.31Å; I97-I101 HydrophobicContact CG1-CD1 4.07Å; I97-I101 WeakPolarHBondContact O-CG1 3.47Å; I97-I101 PolarHBondContact O-N 3.04Å |
| 98 | T | 85.5 | Confident | 92.2 | Very high | 54 Ų | 54 | 46.5 Ų | 46.5 | 33% | 0.331 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | S96 K102 | S96-T98 PolarHBondContact O-N 3.37Å; T98-K102 WeakPolarHBondContact O-CG 3.47Å; T98-K102 PolarHBondContact O-N 3.16Å |
| 99 | D | 90.4 | Very high | 92.1 | Very high | 41 Ų | 41 | 49 Ų | 49 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.4 | -35.3 | 177.6 | -60.3 | -40.2 | 0 | 0 | 0 | 111.7 | M95 S96 I97 I101 K102 I103 Y134 | M95-D99 HydrophobicContact SD-CB 4.08Å; S96-D99 PolarHBondContact O-N 3.31Å; S96-D99 VanDerWaalsContact O-N 3.12Å; S96-D99 PolarHBondContact OG-N 3.19Å; S96-D99 VanDerWaalsContact OG-N 3.13Å; S96-D99 PolarHBondContact OG-OD2 3.03Å; I97-D99 VanDerWaalsContact C-N 3.34Å; I97-D99 PolarHBondContact O-N 3.42Å; D99-I101 VanDerWaalsContact C-N 3.31Å; D99-I101 PolarHBondContact O-N 3.4Å; D99-K102 PolarHBondContact O-N 2.71Å; D99-I103 WeakPolarHBondContact O-CB 3.29Å; D99-I103 VanDerWaalsContact O-CG1 3.24Å; D99-I103 WeakPolarHBondContact O-CG1 3.25Å; D99-I103 PolarHBondContact O-N 2.85Å; D99-Y134 HydrophobicContact CB-CE1 4.48Å; D99-Y134 PolarHBondContact OD1-OH 3.07Å |
| 100 | Q | 93.5 | Very high | 92.1 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56 | -48 | 172.8 | -66.8 | 171.2 | 45.4 | 0 | 0 | 110.8 | L84 H93 M95 S96 I97 I103 S104 F159 | L84-Q100 HydrophobicContact CD1-CB 4.4Å; L84-Q100 HydrophobicContact CD2-CB 4.21Å; H93-Q100 PolarHBondContact ND1-NE2 3.04Å; M95-Q100 HydrophobicContact CG-CG 3.74Å; M95-Q100 PolarHBondContact O-NE2 2.91Å; M95-Q100 HydrophobicContact SD-CG 4.02Å; S96-Q100 WeakPolarHBondContact O-CG 3.24Å; S96-Q100 PolarHBondContact O-N 2.89Å; I97-Q100 WeakPolarHBondContact O-CB 3.32Å; I97-Q100 PolarHBondContact O-N 3.01Å; Q100-I103 PolarHBondContact O-N 3.45Å; Q100-S104 WeakPolarHBondContact O-CB 3.35Å; Q100-S104 PolarHBondContact O-N 3.32Å; Q100-S104 PolarHBondContact O-OG 3Å; Q100-F159 HydrophobicContact CB-CD1 4.48Å; Q100-F159 HydrophobicContact CB-CE1 3.92Å; Q100-F159 HydrophobicContact CB-CE2 4.11Å; Q100-F159 HydrophobicContact CB-CZ 3.72Å; Q100-F159 HydrophobicContact CG-CD1 4.47Å; Q100-F159 HydrophobicContact CG-CD2 4.07Å; Q100-F159 HydrophobicContact CG-CE1 4.29Å; Q100-F159 HydrophobicContact CG-CE2 3.86Å; Q100-F159 HydrophobicContact CG-CG 4.38Å; Q100-F159 HydrophobicContact CG-CZ 3.99Å; Q100-F159 VanDerWaalsContact O-CE1 3.32Å; Q100-F159 WeakPolarHBondContact O-CE1 2.77Å |
| 101 | I | 89.4 | Confident | 91.8 | Very high | 29 Ų | 29 | 41 Ų | 41 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 178.6 | -72.6 | 160 | 0 | 0 | 0 | 111.5 | A81 L84 I97 D99 I103 S104 E105 | A81-I101 WeakPolarHBondContact O-CD1 3.42Å; L84-I101 HydrophobicContact CG-CG1 3.94Å; I97-I101 HydrophobicContact CD1-CD1 4.31Å; I97-I101 HydrophobicContact CG1-CD1 4.07Å; I97-I101 WeakPolarHBondContact O-CG1 3.47Å; I97-I101 PolarHBondContact O-N 3.04Å; D99-I101 VanDerWaalsContact C-N 3.31Å; D99-I101 PolarHBondContact O-N 3.4Å; I101-I103 VanDerWaalsContact C-N 3.31Å; I101-I103 PolarHBondContact O-N 3.05Å; I101-S104 WeakPolarHBondContact CA-OG 3.28Å; I101-S104 PolarHBondContact O-N 2.73Å; I101-S104 PolarHBondContact O-OG 3.43Å; I101-E105 HydrophobicContact CG2-CG 4.32Å; I101-E105 VanDerWaalsContact O-CB 3.31Å; I101-E105 WeakPolarHBondContact O-CB 3.34Å; I101-E105 VanDerWaalsContact O-CG 3.29Å; I101-E105 WeakPolarHBondContact O-CG 3.48Å; I101-E105 PolarHBondContact O-N 3.3Å |
| 102 | K | 90.1 | Very high | 91 | Very high | 102 Ų | 102 | 38.3 Ų | 38.3 | 44% | 0.443 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 178.3 | -70.9 | 172.7 | -176.3 | 169.1 | 0 | 112.1 | T98 D99 Q106 W129 | T98-K102 WeakPolarHBondContact O-CG 3.47Å; T98-K102 PolarHBondContact O-N 3.16Å; D99-K102 PolarHBondContact O-N 2.71Å; K102-Q106 WeakPolarHBondContact O-CB 3.34Å; K102-Q106 PolarHBondContact O-N 3.33Å; K102-W129 HydrophobicContact CB-CH2 4.11Å |
| 103 | I | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.1 | -44.2 | -178 | -67.8 | 166.8 | 0 | 0 | 0 | 110.8 | M95 D99 Q100 I101 Q106 A107 W129 L130 Y134 F159 F161 I170 | M95-I103 HydrophobicContact CE-CD1 3.6Å; M95-I103 HydrophobicContact SD-CD1 3.48Å; M95-I103 WeakPolarHBondContact SD-CD1 3.45Å; D99-I103 WeakPolarHBondContact O-CB 3.29Å; D99-I103 VanDerWaalsContact O-CG1 3.24Å; D99-I103 WeakPolarHBondContact O-CG1 3.25Å; D99-I103 PolarHBondContact O-N 2.85Å; Q100-I103 PolarHBondContact O-N 3.45Å; I101-I103 VanDerWaalsContact C-N 3.31Å; I101-I103 PolarHBondContact O-N 3.05Å; I103-Q106 PolarHBondContact O-N 3.08Å; I103-A107 WeakPolarHBondContact O-CB 3.44Å; I103-A107 PolarHBondContact O-N 3.05Å; I103-W129 HydrophobicContact CG1-CH2 4.33Å; I103-W129 HydrophobicContact CG1-CZ3 3.92Å; I103-L130 HydrophobicContact CD1-CD2 4Å; I103-L130 HydrophobicContact CG1-CD2 3.93Å; I103-Y134 HydrophobicContact CD1-CE2 4.26Å; I103-Y134 HydrophobicContact CG1-CE2 4.13Å; I103-F159 HydrophobicContact CB-CD1 4.03Å; I103-F159 HydrophobicContact CB-CE1 4.32Å; I103-F159 HydrophobicContact CD1-CD1 4.42Å; I103-F159 HydrophobicContact CG2-CD1 3.82Å; I103-F159 HydrophobicContact CG2-CE1 4.31Å; I103-F161 HydrophobicContact CG2-CE1 4.22Å; I103-I170 HydrophobicContact CG2-CD1 3.43Å; I103-I170 VanDerWaalsContact CG2-CD1 3.43Å |
| 104 | S | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.1 | -37.4 | 179.4 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | I88 Q100 I101 A107 R108 | I88-S104 VanDerWaalsContact CD1-OG 3.25Å; I88-S104 WeakPolarHBondContact CD1-OG 3.22Å; Q100-S104 WeakPolarHBondContact O-CB 3.35Å; Q100-S104 PolarHBondContact O-N 3.32Å; Q100-S104 PolarHBondContact O-OG 3Å; I101-S104 WeakPolarHBondContact CA-OG 3.28Å; I101-S104 PolarHBondContact O-N 2.73Å; I101-S104 PolarHBondContact O-OG 3.43Å; S104-A107 PolarHBondContact O-N 2.96Å; S104-R108 WeakPolarHBondContact O-CB 3.44Å; S104-R108 PolarHBondContact O-N 3.39Å |
| 105 | E | 90.4 | Very high | 87.9 | Confident | 57 Ų | 57 | 39.9 Ų | 39.9 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 174.5 | -71.8 | -53.9 | 124.8 | 0 | 0 | 111.7 | I101 A107 R108 C109 | I101-E105 HydrophobicContact CG2-CG 4.32Å; I101-E105 VanDerWaalsContact O-CB 3.31Å; I101-E105 WeakPolarHBondContact O-CB 3.34Å; I101-E105 VanDerWaalsContact O-CG 3.29Å; I101-E105 WeakPolarHBondContact O-CG 3.48Å; I101-E105 PolarHBondContact O-N 3.3Å; E105-A107 VanDerWaalsContact C-N 3.34Å; E105-A107 PolarHBondContact O-N 2.92Å; E105-R108 VanDerWaalsContact O-CB 3.31Å; E105-R108 WeakPolarHBondContact O-CB 3.48Å; E105-R108 PolarHBondContact O-N 3.16Å; E105-R108 IonicContact OE1-CZ 3.75Å; E105-R108 IonicContact OE1-NE 3.33Å; E105-R108 PolarHBondContact OE1-NE 3.02Å; E105-R108 IonicContact OE1-NH2 2.71Å; E105-R108 VanDerWaalsContact OE2-CD 3.32Å; E105-R108 WeakPolarHBondContact OE2-CD 3.41Å; E105-R108 IonicContact OE2-NE 3.38Å; E105-R108 PolarHBondContact OE2-NE 3Å; E105-C109 PolarHBondContact O-N 2.9Å; E105-C109 PolarHBondContact O-SG 3.41Å |
| 106 | Q | 93.5 | Very high | 87.5 | Confident | 48 Ų | 48 | 47 Ų | 47 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 172.2 | -176.3 | 64.8 | 19.8 | 0 | 0 | 111.9 | K102 I103 R108 C109 L110 L126 W129 | K102-Q106 WeakPolarHBondContact O-CB 3.34Å; K102-Q106 PolarHBondContact O-N 3.33Å; I103-Q106 PolarHBondContact O-N 3.08Å; Q106-R108 VanDerWaalsContact C-N 3.3Å; Q106-R108 PolarHBondContact O-N 3.02Å; Q106-C109 PolarHBondContact O-N 3.13Å; Q106-L110 WeakPolarHBondContact O-CG 3.31Å; Q106-L110 PolarHBondContact O-N 3.28Å; Q106-L126 HydrophobicContact CB-CD1 4Å; Q106-L126 HydrophobicContact CG-CD1 3.61Å; Q106-W129 HydrophobicContact CB-CD2 4.14Å; Q106-W129 HydrophobicContact CB-CE3 4.23Å; Q106-W129 HydrophobicContact CB-CH2 4.16Å; Q106-W129 HydrophobicContact CB-CZ2 4.04Å; Q106-W129 HydrophobicContact CB-CZ3 4.24Å; Q106-W129 VanDerWaalsContact CD-CD1 3.48Å; Q106-W129 HydrophobicContact CG-CB 4.31Å; Q106-W129 HydrophobicContact CG-CD2 3.57Å; Q106-W129 HydrophobicContact CG-CE3 3.94Å; Q106-W129 HydrophobicContact CG-CG 3.72Å; Q106-W129 HydrophobicContact CG-CZ2 4.3Å; Q106-W129 HydrophobicContact CG-CZ3 4.45Å |
| 107 | A | 95 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I103 S104 E105 L110 L111 L126 F161 F168 | I103-A107 WeakPolarHBondContact O-CB 3.44Å; I103-A107 PolarHBondContact O-N 3.05Å; S104-A107 PolarHBondContact O-N 2.96Å; E105-A107 VanDerWaalsContact C-N 3.34Å; E105-A107 PolarHBondContact O-N 2.92Å; A107-L110 PolarHBondContact O-N 3.45Å; A107-L111 VanDerWaalsContact O-CB 3.31Å; A107-L111 WeakPolarHBondContact O-CB 3.25Å; A107-L111 PolarHBondContact O-N 2.78Å; A107-L126 HydrophobicContact CB-CD2 4.04Å; A107-F161 HydrophobicContact CB-CE2 4.13Å; A107-F161 HydrophobicContact CB-CZ 3.62Å; A107-F168 HydrophobicContact CB-CD1 4.09Å; A107-F168 HydrophobicContact CB-CE1 3.78Å; A107-F168 HydrophobicContact CB-CZ 4.05Å |
| 108 | R | 90.5 | Very high | 87.9 | Confident | 23 Ų | 23 | 48 Ų | 48 | 9% | 0.087 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.4 | -58.2 | 170.2 | -179.4 | -176.5 | -54 | -66.6 | -1.4 | 109.9 | D87 S104 E105 Q106 L110 L111 F112 L163 | D87-R108 VanDerWaalsContact CG-NH2 3.34Å; D87-R108 IonicContact OD1-CZ 3.01Å; D87-R108 IonicContact OD1-NH1 3.04Å; D87-R108 IonicContact OD1-NH2 3.81Å; D87-R108 PolarHBondContact OD1-NH2 3.4Å; D87-R108 IonicContact OD2-CZ 3.71Å; D87-R108 IonicContact OD2-NH1 3.64Å; D87-R108 PolarHBondContact OD2-NH1 3.46Å; D87-R108 IonicContact OD2-NH2 3.67Å; D87-R108 PolarHBondContact OD2-NH2 2.71Å; D87-R108 VanDerWaalsContact OD2-NH2 3.16Å; S104-R108 WeakPolarHBondContact O-CB 3.44Å; S104-R108 PolarHBondContact O-N 3.39Å; E105-R108 VanDerWaalsContact O-CB 3.31Å; E105-R108 WeakPolarHBondContact O-CB 3.48Å; E105-R108 PolarHBondContact O-N 3.16Å; E105-R108 IonicContact OE1-CZ 3.75Å; E105-R108 IonicContact OE1-NE 3.33Å; E105-R108 PolarHBondContact OE1-NE 3.02Å; E105-R108 IonicContact OE1-NH2 2.71Å; E105-R108 VanDerWaalsContact OE2-CD 3.32Å; E105-R108 WeakPolarHBondContact OE2-CD 3.41Å; E105-R108 IonicContact OE2-NE 3.38Å; E105-R108 PolarHBondContact OE2-NE 3Å; Q106-R108 VanDerWaalsContact C-N 3.3Å; Q106-R108 PolarHBondContact O-N 3.02Å; R108-L110 PolarHBondContact O-N 3.32Å; R108-L111 PolarHBondContact O-N 2.85Å; R108-F112 HydrophobicContact CB-CD2 4.21Å; R108-F112 HydrophobicContact CB-CE2 4.26Å; R108-F112 HydrophobicContact CG-CD2 3.4Å; R108-F112 VanDerWaalsContact CG-CD2 3.4Å; R108-F112 HydrophobicContact CG-CE2 3.52Å; R108-F112 WeakPolarHBondContact O-CD2 3.17Å; R108-F112 PolarHBondContact O-N 3.16Å; R108-F112 VanDerWaalsContact O-N 3.1Å; R108-L163 HydrophobicContact CB-CD2 3.96Å |
| 109 | C | 88.7 | Confident | 88.4 | Confident | 69 Ų | 69 | 48 Ų | 48 | 47% | 0.466 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -49.7 | -39 | -179.8 | -67 | 0 | 0 | 0 | 0 | 112.9 | E105 Q106 N115 | E105-C109 PolarHBondContact O-N 2.9Å; E105-C109 PolarHBondContact O-SG 3.41Å; Q106-C109 PolarHBondContact O-N 3.13Å; C109-N115 PolarHBondContact O-ND2 2.93Å |
| 110 | L | 92.3 | Very high | 88.6 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -74.8 | -28.1 | 177.5 | -65.1 | 170.9 | 0 | 0 | 0 | 114.5 | Q106 A107 R108 L117 I122 N125 L126 | Q106-L110 WeakPolarHBondContact O-CG 3.31Å; Q106-L110 PolarHBondContact O-N 3.28Å; A107-L110 PolarHBondContact O-N 3.45Å; R108-L110 PolarHBondContact O-N 3.32Å; L110-L117 HydrophobicContact CD2-CD1 4.03Å; L110-I122 HydrophobicContact CB-CG1 4.43Å; L110-I122 HydrophobicContact CB-CG2 4.15Å; L110-I122 HydrophobicContact CD1-CG2 4.5Å; L110-N125 HydrophobicContact CD1-CB 3.95Å; L110-N125 HydrophobicContact CD2-CB 3.71Å; L110-L126 HydrophobicContact CD1-CB 3.75Å; L110-L126 HydrophobicContact CD1-CD1 4.38Å |
| 111 | L | 88.7 | Confident | 88.8 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -83.6 | -26.2 | -176.7 | -177.2 | 59.8 | 0 | 0 | 0 | 113.4 | A107 R108 I122 L163 R164 K166 | A107-L111 VanDerWaalsContact O-CB 3.31Å; A107-L111 WeakPolarHBondContact O-CB 3.25Å; A107-L111 PolarHBondContact O-N 2.78Å; R108-L111 PolarHBondContact O-N 2.85Å; L111-I122 HydrophobicContact CD1-CD1 4.1Å; L111-L163 HydrophobicContact CD2-CD2 3.93Å; L111-L163 HydrophobicContact CD2-CG 3.89Å; L111-R164 HydrophobicContact CD2-CB 4.38Å; L111-R164 HydrophobicContact CD2-CG 4.3Å; L111-K166 HydrophobicContact CD1-CD 3.64Å |
| 112 | F | 80.3 | Confident | 89.1 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -102.7 | 154.9 | -172.9 | -70.1 | -86.1 | 0 | 0 | 0 | 112.7 | T30 R108 N115 L163 R164 | T30-F112 HydrophobicContact CG2-CE1 3.85Å; T30-F112 HydrophobicContact CG2-CE2 4.28Å; T30-F112 HydrophobicContact CG2-CZ 3.53Å; T30-F112 WeakPolarHBondContact OG1-CD1 2.88Å; T30-F112 WeakPolarHBondContact OG1-CE1 3.05Å; T30-F112 WeakPolarHBondContact OG1-CZ 3.34Å; R108-F112 HydrophobicContact CB-CD2 4.21Å; R108-F112 HydrophobicContact CB-CE2 4.26Å; R108-F112 HydrophobicContact CG-CD2 3.4Å; R108-F112 VanDerWaalsContact CG-CD2 3.4Å; R108-F112 HydrophobicContact CG-CE2 3.52Å; R108-F112 WeakPolarHBondContact O-CD2 3.17Å; R108-F112 PolarHBondContact O-N 3.16Å; R108-F112 VanDerWaalsContact O-N 3.1Å; F112-N115 WeakPolarHBondContact O-CB 3.32Å; F112-N115 PolarHBondContact O-N 3.35Å; F112-N115 PolarHBondContact O-ND2 3.18Å; F112-L163 HydrophobicContact CE2-CD2 4.26Å; F112-R164 VanDerWaalsContact CE1-NH1 3.26Å; F112-R164 VanDerWaalsContact CZ-CD 3.5Å; F112-R164 HydrophobicContact CZ-CG 3.95Å; F112-R164 VanDerWaalsContact CZ-NE 3.32Å |
| 113 | P | 70.3 | Confident | 89.5 | Confident | 52 Ų | 52 | 52.4 Ų | 52.4 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 145.6 | 175.6 | -27 | 35.1 | 0 | 0 | 0 | 112.3 | N26 N115 | N26-P113 PolarHBondContact ND2-O 3.05Å; N26-P113 WeakPolarHBondContact OD1-CB 3.46Å; N26-P113 WeakPolarHBondContact OD1-CD 3.33Å; N26-P113 VanDerWaalsContact OD1-CG 3.25Å; N26-P113 WeakPolarHBondContact OD1-CG 3.48Å; P113-N115 VanDerWaalsContact C-N 3.33Å; P113-N115 VanDerWaalsContact CA-N 3.34Å |
| 114 | P | 74.1 | Confident | 89.6 | Confident | 125 Ų | 125 | 57.3 Ų | 57.3 | 81% | 0.812 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.8 | 7.3 | 16 | 34.9 | -37.4 | 0 | 0 | 0 | 115 | ||
| 115 | N | 75.1 | Confident | 89.8 | Confident | 64 Ų | 64 | 60.3 Ų | 60.3 | 34% | 0.342 | 32% | 0.319 | S | S | . | . | trans | -74.4 | 125.2 | -178.5 | -62.7 | -49.7 | 0 | 0 | 0 | 111.2 | C109 F112 P113 L117 | C109-N115 PolarHBondContact O-ND2 2.93Å; F112-N115 WeakPolarHBondContact O-CB 3.32Å; F112-N115 PolarHBondContact O-N 3.35Å; F112-N115 PolarHBondContact O-ND2 3.18Å; P113-N115 VanDerWaalsContact C-N 3.33Å; P113-N115 VanDerWaalsContact CA-N 3.34Å; N115-L117 HydrophobicContact CB-CD1 4.04Å; N115-L117 HydrophobicContact CB-CG 3.96Å | ||
| 116 | D | 85 | Confident | 90.1 | Very high | 165 Ų | 165 | 57.6 Ų | 57.6 | 88% | 0.882 | 31% | 0.306 | S | S | * | . | trans | -107.3 | 49.6 | 168 | -167 | 27.1 | 0 | 0 | 0 | 109.5 | ||||
| 117 | L | 91.3 | Very high | 90.3 | Very high | 42 Ų | 42 | 58.7 Ų | 58.7 | 22% | 0.22 | 31% | 0.31 | C | S | . | . | trans | -85.5 | 133.9 | -173.4 | -62.5 | 174.8 | 0 | 0 | 0 | 110.9 | L110 N115 E121 I122 | L110-L117 HydrophobicContact CD2-CD1 4.03Å; N115-L117 HydrophobicContact CB-CD1 4.04Å; N115-L117 HydrophobicContact CB-CG 3.96Å; L117-E121 WeakPolarHBondContact CA-OE2 3.16Å; L117-E121 HydrophobicContact CB-CB 3.99Å; L117-E121 HydrophobicContact CD2-CB 3.97Å; L117-E121 HydrophobicContact CG-CB 4.44Å; L117-I122 HydrophobicContact CB-CG1 3.78Å | ||
| 118 | D | 93.3 | Very high | 90.4 | Very high | 85 Ų | 85 | 62.9 Ų | 62.9 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | trans | -72.1 | 170.5 | 171.2 | 80.3 | 22.6 | 0 | 0 | 0 | 111.8 | K120 E121 I122 | D118-K120 PolarHBondContact O-N 3.35Å; D118-K120 VanDerWaalsContact OD1-CA 3.32Å; D118-K120 WeakPolarHBondContact OD1-CA 3.47Å; D118-K120 VanDerWaalsContact OD1-CB 3.25Å; D118-K120 WeakPolarHBondContact OD1-CB 3.07Å; D118-K120 PolarHBondContact OD1-N 3.49Å; D118-E121 PolarHBondContact N-OE2 2.85Å; D118-E121 PolarHBondContact O-N 3Å; D118-E121 WeakPolarHBondContact OD1-CG 3.44Å; D118-E121 PolarHBondContact OD1-N 3.4Å; D118-I122 VanDerWaalsContact O-CG1 3.29Å; D118-I122 WeakPolarHBondContact O-CG1 3.5Å; D118-I122 PolarHBondContact O-N 3.05Å | ||
| 119 | N | 94.7 | Very high | 90.7 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.2 | -31.2 | -178.8 | -72.4 | -8.5 | 0 | 0 | 0 | 113.3 | A123 V142 K166 | N119-A123 VanDerWaalsContact O-CB 3.28Å; N119-A123 WeakPolarHBondContact O-CB 3.36Å; N119-A123 PolarHBondContact O-N 3.2Å; N119-V142 HydrophobicContact CB-CB 4.26Å; N119-V142 HydrophobicContact CB-CG1 4.12Å; N119-K166 WeakPolarHBondContact OD1-CE 3.18Å; N119-K166 PolarHBondContact OD1-NZ 2.84Å |
| 120 | K | 95.8 | Very high | 91.1 | Very high | 168 Ų | 168 | 61 Ų | 61 | 73% | 0.73 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -73.2 | -41.7 | 179.6 | 175.2 | -171.8 | 173.6 | -170.3 | 0 | 110.2 | D118 A123 H124 | D118-K120 PolarHBondContact O-N 3.35Å; D118-K120 VanDerWaalsContact OD1-CA 3.32Å; D118-K120 WeakPolarHBondContact OD1-CA 3.47Å; D118-K120 VanDerWaalsContact OD1-CB 3.25Å; D118-K120 WeakPolarHBondContact OD1-CB 3.07Å; D118-K120 PolarHBondContact OD1-N 3.49Å; K120-A123 PolarHBondContact O-N 3.04Å; K120-H124 WeakPolarHBondContact O-CB 3.42Å; K120-H124 PolarHBondContact O-N 3.21Å |
| 121 | E | 96.5 | Very high | 91.3 | Very high | 84 Ų | 84 | 62.5 Ų | 62.5 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 176.2 | -67.9 | 174.6 | 133.4 | 0 | 0 | 111.5 | L117 D118 A123 H124 N125 | L117-E121 WeakPolarHBondContact CA-OE2 3.16Å; L117-E121 HydrophobicContact CB-CB 3.99Å; L117-E121 HydrophobicContact CD2-CB 3.97Å; L117-E121 HydrophobicContact CG-CB 4.44Å; D118-E121 PolarHBondContact N-OE2 2.85Å; D118-E121 PolarHBondContact O-N 3Å; D118-E121 WeakPolarHBondContact OD1-CG 3.44Å; D118-E121 PolarHBondContact OD1-N 3.4Å; E121-A123 PolarHBondContact O-N 3.1Å; E121-H124 PolarHBondContact O-N 3.03Å; E121-N125 WeakPolarHBondContact O-CB 3.25Å; E121-N125 PolarHBondContact O-N 3.18Å; E121-N125 PolarHBondContact O-ND2 3.12Å |
| 122 | I | 96.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.9 | -50.2 | 173.4 | -65.8 | 168 | 0 | 0 | 0 | 109.9 | L110 L111 L117 D118 H124 N125 L126 V142 F168 | L110-I122 HydrophobicContact CB-CG1 4.43Å; L110-I122 HydrophobicContact CB-CG2 4.15Å; L110-I122 HydrophobicContact CD1-CG2 4.5Å; L111-I122 HydrophobicContact CD1-CD1 4.1Å; L117-I122 HydrophobicContact CB-CG1 3.78Å; D118-I122 VanDerWaalsContact O-CG1 3.29Å; D118-I122 WeakPolarHBondContact O-CG1 3.5Å; D118-I122 PolarHBondContact O-N 3.05Å; I122-H124 VanDerWaalsContact C-N 3.33Å; I122-H124 PolarHBondContact O-N 3.48Å; I122-N125 PolarHBondContact O-N 2.98Å; I122-L126 VanDerWaalsContact O-CB 3.29Å; I122-L126 WeakPolarHBondContact O-CB 3.29Å; I122-L126 PolarHBondContact O-N 3.34Å; I122-V142 HydrophobicContact CG2-CG2 4.07Å; I122-F168 HydrophobicContact CG2-CE1 3.81Å; I122-F168 HydrophobicContact CG2-CZ 4.37Å |
| 123 | A | 98.1 | Very high | 92 | Very high | 16 Ų | 16 | 73.7 Ų | 73.7 | 13% | 0.132 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N119 K120 E121 K127 V140 V142 | N119-A123 VanDerWaalsContact O-CB 3.28Å; N119-A123 WeakPolarHBondContact O-CB 3.36Å; N119-A123 PolarHBondContact O-N 3.2Å; K120-A123 PolarHBondContact O-N 3.04Å; E121-A123 PolarHBondContact O-N 3.1Å; A123-K127 VanDerWaalsContact O-CB 3.28Å; A123-K127 WeakPolarHBondContact O-CB 3.29Å; A123-K127 PolarHBondContact O-N 3.27Å; A123-V140 HydrophobicContact CB-CB 4.4Å; A123-V140 HydrophobicContact CB-CG1 4.02Å; A123-V142 HydrophobicContact CB-CG2 3.87Å |
| 124 | H | 97.9 | Very high | 93 | Very high | 104 Ų | 104 | 73.3 Ų | 73.3 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 179.5 | -176 | 71.5 | 0 | 0 | 0 | 112.4 | K120 E121 I122 L126 K127 L128 | K120-H124 WeakPolarHBondContact O-CB 3.42Å; K120-H124 PolarHBondContact O-N 3.21Å; E121-H124 PolarHBondContact O-N 3.03Å; I122-H124 VanDerWaalsContact C-N 3.33Å; I122-H124 PolarHBondContact O-N 3.48Å; H124-L126 PolarHBondContact O-N 2.9Å; H124-K127 WeakPolarHBondContact O-CB 3.48Å; H124-K127 PolarHBondContact O-N 2.82Å; H124-L128 WeakPolarHBondContact NE2-CD1 3.38Å; H124-L128 WeakPolarHBondContact O-CG 3.36Å; H124-L128 PolarHBondContact O-N 3.48Å |
| 125 | N | 97.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 68.7 Ų | 68.7 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 179.9 | -77.1 | -52.4 | 0 | 0 | 0 | 111.8 | L110 E121 I122 K127 L128 W129 | L110-N125 HydrophobicContact CD1-CB 3.95Å; L110-N125 HydrophobicContact CD2-CB 3.71Å; E121-N125 WeakPolarHBondContact O-CB 3.25Å; E121-N125 PolarHBondContact O-N 3.18Å; E121-N125 PolarHBondContact O-ND2 3.12Å; I122-N125 PolarHBondContact O-N 2.98Å; N125-K127 VanDerWaalsContact C-N 3.34Å; N125-K127 PolarHBondContact O-N 3.49Å; N125-L128 PolarHBondContact O-N 2.98Å; N125-W129 WeakPolarHBondContact O-CB 3.43Å; N125-W129 PolarHBondContact O-N 3.35Å |
| 126 | L | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.2 | -172.2 | 56.5 | 0 | 0 | 0 | 111.4 | Q106 A107 L110 I122 H124 W129 L130 V140 F168 I170 | Q106-L126 HydrophobicContact CB-CD1 4Å; Q106-L126 HydrophobicContact CG-CD1 3.61Å; A107-L126 HydrophobicContact CB-CD2 4.04Å; L110-L126 HydrophobicContact CD1-CB 3.75Å; L110-L126 HydrophobicContact CD1-CD1 4.38Å; I122-L126 VanDerWaalsContact O-CB 3.29Å; I122-L126 WeakPolarHBondContact O-CB 3.29Å; I122-L126 PolarHBondContact O-N 3.34Å; H124-L126 PolarHBondContact O-N 2.9Å; L126-W129 HydrophobicContact CD1-CE3 4.22Å; L126-W129 PolarHBondContact O-N 3.35Å; L126-L130 HydrophobicContact CG-CD1 4.22Å; L126-L130 WeakPolarHBondContact O-CB 3.45Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.49Å; L126-V140 HydrophobicContact CB-CG1 4.32Å; L126-V140 HydrophobicContact CD2-CG1 4.02Å; L126-V140 HydrophobicContact CG-CG1 4.43Å; L126-V140 HydrophobicContact CG-CG2 4.43Å; L126-F168 HydrophobicContact CD2-CD1 4.02Å; L126-F168 HydrophobicContact CD2-CE1 4.37Å; L126-I170 HydrophobicContact CD2-CD1 3.66Å; L126-I170 HydrophobicContact CD2-CG1 4.47Å; L126-I170 HydrophobicContact CG-CD1 4.48Å |
| 127 | K | 98 | Very high | 95 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 174.3 | 175.2 | 178.9 | 174.1 | 174 | 0 | 111.9 | A123 H124 N125 W129 L130 H131 W138 V140 | A123-K127 VanDerWaalsContact O-CB 3.28Å; A123-K127 WeakPolarHBondContact O-CB 3.29Å; A123-K127 PolarHBondContact O-N 3.27Å; H124-K127 WeakPolarHBondContact O-CB 3.48Å; H124-K127 PolarHBondContact O-N 2.82Å; N125-K127 VanDerWaalsContact C-N 3.34Å; N125-K127 PolarHBondContact O-N 3.49Å; K127-W129 VanDerWaalsContact C-N 3.32Å; K127-W129 PolarHBondContact O-N 2.88Å; K127-L130 PolarHBondContact O-N 2.96Å; K127-H131 VanDerWaalsContact CE-CE1 3.41Å; K127-H131 WeakPolarHBondContact CE-CE1 3.44Å; K127-H131 WeakPolarHBondContact CE-NE2 3.23Å; K127-H131 WeakPolarHBondContact CG-NE2 3.47Å; K127-H131 PolarHBondContact O-CD2 2.89Å; K127-H131 PolarHBondContact O-N 3.47Å; K127-W138 WeakPolarHBondContact CD-O 3.5Å; K127-W138 WeakPolarHBondContact CE-O 3.32Å; K127-V140 HydrophobicContact CB-CB 4.4Å; K127-V140 HydrophobicContact CB-CG2 3.88Å |
| 128 | L | 97.2 | Very high | 95.2 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.5 | -70 | -177.8 | 0 | 0 | 0 | 111.8 | H124 N125 H131 K132 | H124-L128 WeakPolarHBondContact NE2-CD1 3.38Å; H124-L128 WeakPolarHBondContact O-CG 3.36Å; H124-L128 PolarHBondContact O-N 3.48Å; N125-L128 PolarHBondContact O-N 2.98Å; L128-H131 PolarHBondContact O-N 2.94Å; L128-K132 PolarHBondContact O-N 2.99Å |
| 129 | W | 97 | Very high | 95.4 | Very high | 53 Ų | 53 | 62.5 Ų | 62.5 | 20% | 0.201 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -46 | 174.3 | -179.4 | 96.6 | 0 | 0 | 0 | 111.4 | K102 I103 Q106 N125 L126 K127 H131 K132 I133 Y134 | K102-W129 HydrophobicContact CB-CH2 4.11Å; I103-W129 HydrophobicContact CG1-CH2 4.33Å; I103-W129 HydrophobicContact CG1-CZ3 3.92Å; Q106-W129 HydrophobicContact CB-CD2 4.14Å; Q106-W129 HydrophobicContact CB-CE3 4.23Å; Q106-W129 HydrophobicContact CB-CH2 4.16Å; Q106-W129 HydrophobicContact CB-CZ2 4.04Å; Q106-W129 HydrophobicContact CB-CZ3 4.24Å; Q106-W129 VanDerWaalsContact CD-CD1 3.48Å; Q106-W129 HydrophobicContact CG-CB 4.31Å; Q106-W129 HydrophobicContact CG-CD2 3.57Å; Q106-W129 HydrophobicContact CG-CE3 3.94Å; Q106-W129 HydrophobicContact CG-CG 3.72Å; Q106-W129 HydrophobicContact CG-CZ2 4.3Å; Q106-W129 HydrophobicContact CG-CZ3 4.45Å; N125-W129 WeakPolarHBondContact O-CB 3.43Å; N125-W129 PolarHBondContact O-N 3.35Å; L126-W129 HydrophobicContact CD1-CE3 4.22Å; L126-W129 PolarHBondContact O-N 3.35Å; K127-W129 VanDerWaalsContact C-N 3.32Å; K127-W129 PolarHBondContact O-N 2.88Å; W129-H131 VanDerWaalsContact C-N 3.34Å; W129-H131 PolarHBondContact O-N 2.97Å; W129-K132 WeakPolarHBondContact O-CB 3.25Å; W129-K132 PolarHBondContact O-N 2.92Å; W129-K132 VanDerWaalsContact O-N 3.16Å; W129-I133 HydrophobicContact CD2-CG1 3.96Å; W129-I133 HydrophobicContact CE3-CG1 4.44Å; W129-I133 HydrophobicContact CG-CG1 4.41Å; W129-I133 HydrophobicContact CH2-CG1 4.44Å; W129-I133 HydrophobicContact CZ2-CG1 3.96Å; W129-I133 WeakPolarHBondContact O-CG1 3.48Å; W129-I133 PolarHBondContact O-N 2.84Å; W129-Y134 HydrophobicContact CH2-CE2 4.07Å; W129-Y134 AromaticContact CZ3-CE2 3.8Å; W129-Y134 HydrophobicContact CZ3-CE2 3.8Å |
| 130 | L | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.1 | -72.3 | 162.9 | 0 | 0 | 0 | 112.2 | I103 L126 K127 K132 I133 Y134 W138 V140 I170 | I103-L130 HydrophobicContact CD1-CD2 4Å; I103-L130 HydrophobicContact CG1-CD2 3.93Å; L126-L130 HydrophobicContact CG-CD1 4.22Å; L126-L130 WeakPolarHBondContact O-CB 3.45Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.49Å; K127-L130 PolarHBondContact O-N 2.96Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.09Å; L130-I133 PolarHBondContact O-N 2.9Å; L130-Y134 HydrophobicContact CD2-CD2 3.76Å; L130-Y134 HydrophobicContact CD2-CE2 3.89Å; L130-Y134 PolarHBondContact O-N 2.74Å; L130-W138 HydrophobicContact CB-CB 4Å; L130-W138 HydrophobicContact CB-CD2 3.87Å; L130-W138 HydrophobicContact CB-CG 3.6Å; L130-W138 HydrophobicContact CD1-CB 4.14Å; L130-W138 HydrophobicContact CD1-CD2 4.12Å; L130-W138 HydrophobicContact CD1-CE3 3.99Å; L130-W138 HydrophobicContact CD1-CG 4.21Å; L130-W138 HydrophobicContact CD2-CD2 4.19Å; L130-W138 HydrophobicContact CD2-CE3 4.19Å; L130-W138 HydrophobicContact CD2-CH2 4.45Å; L130-W138 HydrophobicContact CD2-CZ2 4.48Å; L130-W138 HydrophobicContact CD2-CZ3 4.32Å; L130-W138 HydrophobicContact CG-CD2 4.29Å; L130-W138 HydrophobicContact CG-CE3 4.48Å; L130-W138 HydrophobicContact CG-CG 4.41Å; L130-V140 HydrophobicContact CD1-CG2 3.57Å; L130-I170 HydrophobicContact CD1-CG2 3.42Å; L130-I170 VanDerWaalsContact CD1-CG2 3.42Å; L130-I170 HydrophobicContact CD2-CG2 4.41Å |
| 131 | H | 95 | Very high | 95.7 | Very high | 47 Ų | 47 | 55.3 Ų | 55.3 | 22% | 0.218 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 175.9 | -75.6 | -161.2 | 0 | 0 | 0 | 111.3 | K127 L128 W129 G135 W138 | K127-H131 VanDerWaalsContact CE-CE1 3.41Å; K127-H131 WeakPolarHBondContact CE-CE1 3.44Å; K127-H131 WeakPolarHBondContact CE-NE2 3.23Å; K127-H131 WeakPolarHBondContact CG-NE2 3.47Å; K127-H131 PolarHBondContact O-CD2 2.89Å; K127-H131 PolarHBondContact O-N 3.47Å; L128-H131 PolarHBondContact O-N 2.94Å; W129-H131 VanDerWaalsContact C-N 3.34Å; W129-H131 PolarHBondContact O-N 2.97Å; H131-G135 CarbonylContact O-C 3.6Å; H131-G135 WeakPolarHBondContact O-CA 3.34Å; H131-G135 PolarHBondContact O-N 3.49Å; H131-W138 AromaticContact CD2-CD1 3.64Å; H131-W138 PolarHBondContact NE2-N 3.45Å; H131-W138 PolarHBondContact NE2-O 2.82Å |
| 132 | K | 94 | Very high | 95.8 | Very high | 180 Ų | 180 | 52.1 Ų | 52.1 | 78% | 0.783 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.1 | -42.5 | 178 | -176.5 | -178.7 | 177.8 | -177.8 | 0 | 112.5 | L128 W129 L130 | L128-K132 PolarHBondContact O-N 2.99Å; W129-K132 WeakPolarHBondContact O-CB 3.25Å; W129-K132 PolarHBondContact O-N 2.92Å; W129-K132 VanDerWaalsContact O-N 3.16Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.09Å |
| 133 | I | 91.5 | Very high | 95.8 | Very high | 84 Ų | 84 | 54 Ų | 54 | 43% | 0.431 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -85.3 | -40.1 | -172.7 | -59.7 | -55.9 | 0 | 0 | 0 | 112.6 | W129 L130 | W129-I133 HydrophobicContact CD2-CG1 3.96Å; W129-I133 HydrophobicContact CE3-CG1 4.44Å; W129-I133 HydrophobicContact CG-CG1 4.41Å; W129-I133 HydrophobicContact CH2-CG1 4.44Å; W129-I133 HydrophobicContact CZ2-CG1 3.96Å; W129-I133 WeakPolarHBondContact O-CG1 3.48Å; W129-I133 PolarHBondContact O-N 2.84Å; L130-I133 PolarHBondContact O-N 2.9Å |
| 134 | Y | 90.9 | Very high | 95.6 | Very high | 44 Ų | 44 | 62 Ų | 62 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -117.4 | -1.9 | -171.3 | -56.6 | -75.2 | 0 | 0 | 0 | 114 | D99 I103 W129 L130 W138 R157 | D99-Y134 HydrophobicContact CB-CE1 4.48Å; D99-Y134 PolarHBondContact OD1-OH 3.07Å; I103-Y134 HydrophobicContact CD1-CE2 4.26Å; I103-Y134 HydrophobicContact CG1-CE2 4.13Å; W129-Y134 HydrophobicContact CH2-CE2 4.07Å; W129-Y134 AromaticContact CZ3-CE2 3.8Å; W129-Y134 HydrophobicContact CZ3-CE2 3.8Å; L130-Y134 HydrophobicContact CD2-CD2 3.76Å; L130-Y134 HydrophobicContact CD2-CE2 3.89Å; L130-Y134 PolarHBondContact O-N 2.74Å; Y134-W138 HydrophobicContact CD2-CZ2 4.09Å; Y134-W138 AromaticContact CG-CZ2 3.96Å; Y134-W138 HydrophobicContact CG-CZ2 3.96Å; Y134-R157 PolarHBondContact O-NH1 3.33Å |
| 135 | G | 90.2 | Very high | 95.3 | Very high | 27 Ų | 27 | 59 Ų | 59 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | trans | 82.6 | 154.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H131 W138 | H131-G135 CarbonylContact O-C 3.6Å; H131-G135 WeakPolarHBondContact O-CA 3.34Å; H131-G135 PolarHBondContact O-N 3.49Å; G135-W138 PolarHBondContact O-NE1 3.21Å | ||
| 136 | P | 91.6 | Very high | 95 | Very high | 92 Ų | 92 | 64.1 Ų | 64.1 | 60% | 0.597 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -73 | 160.9 | 176.4 | 32 | -36 | 0 | 0 | 0 | 112.4 | ||
| 137 | I | 93.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 67.5 Ų | 67.5 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | cis | -113.4 | 115.3 | 5.5 | -53.7 | 172.2 | 0 | 0 | 0 | 110.4 | C172 T173 | I137-C172 WeakPolarHBondContact O-CA 3.31Å; I137-C172 PolarHBondContact O-SG 3.17Å; I137-C172 VanDerWaalsContact O-SG 3.36Å; I137-T173 PolarHBondContact O-N 2.85Å | ||
| 138 | W | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.015 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 146.8 | 171.5 | -64.9 | 81 | 0 | 0 | 0 | 113.5 | M95 K127 L130 H131 Y134 G135 R157 I170 W171 C172 | M95-W138 HydrophobicContact CE-CH2 4.17Å; M95-W138 HydrophobicContact CE-CZ3 4.37Å; K127-W138 WeakPolarHBondContact CD-O 3.5Å; K127-W138 WeakPolarHBondContact CE-O 3.32Å; L130-W138 HydrophobicContact CB-CB 4Å; L130-W138 HydrophobicContact CB-CD2 3.87Å; L130-W138 HydrophobicContact CB-CG 3.6Å; L130-W138 HydrophobicContact CD1-CB 4.14Å; L130-W138 HydrophobicContact CD1-CD2 4.12Å; L130-W138 HydrophobicContact CD1-CE3 3.99Å; L130-W138 HydrophobicContact CD1-CG 4.21Å; L130-W138 HydrophobicContact CD2-CD2 4.19Å; L130-W138 HydrophobicContact CD2-CE3 4.19Å; L130-W138 HydrophobicContact CD2-CH2 4.45Å; L130-W138 HydrophobicContact CD2-CZ2 4.48Å; L130-W138 HydrophobicContact CD2-CZ3 4.32Å; L130-W138 HydrophobicContact CG-CD2 4.29Å; L130-W138 HydrophobicContact CG-CE3 4.48Å; L130-W138 HydrophobicContact CG-CG 4.41Å; H131-W138 AromaticContact CD2-CD1 3.64Å; H131-W138 PolarHBondContact NE2-N 3.45Å; H131-W138 PolarHBondContact NE2-O 2.82Å; Y134-W138 HydrophobicContact CD2-CZ2 4.09Å; Y134-W138 AromaticContact CG-CZ2 3.96Å; Y134-W138 HydrophobicContact CG-CZ2 3.96Å; G135-W138 PolarHBondContact O-NE1 3.21Å; W138-R157 HydrophobicContact CH2-CB 3.81Å; W138-R157 HydrophobicContact CH2-CG 4.23Å; W138-R157 HydrophobicContact CZ2-CB 4.25Å; W138-R157 HydrophobicContact CZ2-CG 4.29Å; W138-R157 HydrophobicContact CZ3-CB 4.34Å; W138-I170 HydrophobicContact CE3-CG2 3.62Å; W138-I170 HydrophobicContact CZ3-CG2 3.78Å; W138-W171 WeakPolarHBondContact CA-O 3.4Å; W138-C172 HydrophobicContact CD2-CB 3.95Å; W138-C172 HydrophobicContact CE3-CB 4.05Å; W138-C172 HydrophobicContact CG-CB 4.49Å; W138-C172 HydrophobicContact CH2-CB 4.34Å; W138-C172 HydrophobicContact CZ2-CB 4.21Å; W138-C172 HydrophobicContact CZ3-CB 4.24Å |
| 139 | H | 97.5 | Very high | 94.6 | Very high | 59 Ų | 59 | 66.5 Ų | 66.5 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 139 | 168.6 | -54.7 | -79.5 | 0 | 0 | 0 | 108.6 | I170 W171 T173 | H139-I170 WeakPolarHBondContact O-CA 3.4Å; H139-W171 HydrophobicContact CB-CD2 3.79Å; H139-W171 VanDerWaalsContact CB-CE2 3.48Å; H139-W171 HydrophobicContact CB-CE3 4.08Å; H139-W171 HydrophobicContact CB-CG 4.43Å; H139-W171 HydrophobicContact CB-CH2 3.83Å; H139-W171 HydrophobicContact CB-CZ2 3.51Å; H139-W171 HydrophobicContact CB-CZ3 4.1Å; H139-W171 AromaticContact CD2-CD1 3.8Å; H139-W171 AromaticContact CD2-CE2 3.8Å; H139-W171 AromaticContact CD2-NE1 3.35Å; H139-W171 PolarHBondContact CD2-NE1 2.97Å; H139-W171 VanDerWaalsContact CD2-NE1 3.35Å; H139-W171 AromaticContact CG-CE2 3.77Å; H139-W171 AromaticContact CG-CZ2 3.87Å; H139-W171 AromaticContact CG-NE1 3.8Å; H139-W171 PolarHBondContact N-O 2.74Å; H139-W171 PolarHBondContact O-N 2.88Å; H139-W171 VanDerWaalsContact O-N 3.09Å; H139-T173 WeakPolarHBondContact NE2-CG2 3.32Å; H139-T173 PolarHBondContact NE2-OG1 2.64Å |
| 140 | V | 98.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 70.1 Ų | 70.1 | 12% | 0.115 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 125.9 | 178.7 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | A123 L126 K127 L130 V142 L169 I170 | A123-V140 HydrophobicContact CB-CB 4.4Å; A123-V140 HydrophobicContact CB-CG1 4.02Å; L126-V140 HydrophobicContact CB-CG1 4.32Å; L126-V140 HydrophobicContact CD2-CG1 4.02Å; L126-V140 HydrophobicContact CG-CG1 4.43Å; L126-V140 HydrophobicContact CG-CG2 4.43Å; K127-V140 HydrophobicContact CB-CB 4.4Å; K127-V140 HydrophobicContact CB-CG2 3.88Å; L130-V140 HydrophobicContact CD1-CG2 3.57Å; V140-V142 HydrophobicContact CG1-CG2 4.2Å; V140-L169 WeakPolarHBondContact CA-O 3.2Å; V140-I170 HydrophobicContact CG1-CG1 4.31Å; V140-I170 HydrophobicContact CG2-CG1 4.39Å; V140-I170 HydrophobicContact CG2-CG2 4.36Å |
| 141 | V | 98.1 | Very high | 94 | Very high | 54 Ų | 54 | 73 Ų | 73 | 33% | 0.327 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.8 | 174.6 | 174.3 | 0 | 0 | 0 | 0 | 107.8 | V143 F168 L169 W171 | V141-V143 HydrophobicContact CG1-CG2 3.62Å; V141-F168 WeakPolarHBondContact O-CA 3.2Å; V141-L169 HydrophobicContact CB-CB 4.21Å; V141-L169 PolarHBondContact N-O 2.93Å; V141-L169 PolarHBondContact O-N 3.15Å; V141-W171 HydrophobicContact CG2-CH2 3.83Å; V141-W171 HydrophobicContact CG2-CZ3 3.87Å |
| 142 | V | 98 | Very high | 93.8 | Very high | 16 Ų | 16 | 75.6 Ų | 75.6 | 10% | 0.097 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.2 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | N119 I122 A123 V140 K166 C167 F168 | N119-V142 HydrophobicContact CB-CB 4.26Å; N119-V142 HydrophobicContact CB-CG1 4.12Å; I122-V142 HydrophobicContact CG2-CG2 4.07Å; A123-V142 HydrophobicContact CB-CG2 3.87Å; V140-V142 HydrophobicContact CG1-CG2 4.2Å; V142-K166 HydrophobicContact CG1-CB 4.29Å; V142-K166 HydrophobicContact CG1-CD 3.99Å; V142-K166 HydrophobicContact CG1-CG 4.46Å; V142-C167 WeakPolarHBondContact CA-O 3.28Å; V142-F168 HydrophobicContact CG1-CE1 4.29Å; V142-F168 HydrophobicContact CG1-CZ 4.43Å; V142-F168 HydrophobicContact CG2-CD1 3.81Å; V142-F168 HydrophobicContact CG2-CE1 3.82Å |
| 143 | V | 96.4 | Very high | 93.6 | Very high | 41 Ų | 41 | 69.4 Ų | 69.4 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.2 | -173.7 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | V141 K166 C167 | V141-V143 HydrophobicContact CG1-CG2 3.62Å; V143-K166 CarbonylContact O-C 3.51Å; V143-K166 VanDerWaalsContact O-CA 3.31Å; V143-K166 WeakPolarHBondContact O-CA 3.36Å; V143-C167 PolarHBondContact N-O 3.35Å; V143-C167 PolarHBondContact O-N 3.03Å |
| 144 | R | 94.4 | Very high | 93.6 | Very high | 183 Ų | 183 | 66.6 Ų | 66.6 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.2 | 166.6 | -173.8 | -174.1 | -125 | -172.9 | 1.7 | 108.2 | D165 | R144-D165 IonicContact CZ-OD2 3.05Å; R144-D165 IonicContact NE-OD2 2.66Å; R144-D165 PolarHBondContact NE-OD2 3.41Å; R144-D165 IonicContact NH2-OD2 2.64Å; R144-D165 PolarHBondContact NH2-OD2 2.99Å |
| 145 | G | 91.2 | Very high | 93.6 | Very high | 43 Ų | 43 | 71.3 Ų | 71.3 | 44% | 0.443 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 99.8 | -154.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 146 | D | 92.1 | Very high | 93.6 | Very high | 168 Ų | 168 | 74.4 Ų | 74.4 | 90% | 0.898 | 43% | 0.429 | S | S | * | . | trans | -84.9 | 151.2 | -174.6 | -58.5 | -43.7 | 0 | 0 | 0 | 112.3 | ||||
| 147 | Y | 95.7 | Very high | 93.7 | Very high | 72 Ų | 72 | 74.2 Ų | 74.2 | 28% | 0.282 | 42% | 0.417 | S | S | . | . | trans | -144.2 | 155.3 | 175.3 | 71.1 | -88.9 | 0 | 0 | 0 | 111.7 | I91 A149 Q160 C167 L169 | I91-Y147 HydrophobicContact CD1-CE1 3.97Å; I91-Y147 WeakPolarHBondContact CD1-OH 3.4Å; I91-Y147 WeakPolarHBondContact CG2-OH 3.32Å; Y147-A149 HydrophobicContact CD2-CB 4.12Å; Y147-A149 HydrophobicContact CE2-CB 4.27Å; Y147-Q160 PolarHBondContact OH-OE1 3.45Å; Y147-C167 HydrophobicContact CD1-CB 4.06Å; Y147-C167 HydrophobicContact CE1-CB 3.77Å; Y147-L169 HydrophobicContact CD1-CD1 4.03Å; Y147-L169 HydrophobicContact CD2-CD1 4.1Å; Y147-L169 HydrophobicContact CD2-CD2 3.63Å; Y147-L169 HydrophobicContact CD2-CG 4.23Å; Y147-L169 HydrophobicContact CE1-CD1 3.75Å; Y147-L169 HydrophobicContact CE1-CG 4.46Å; Y147-L169 HydrophobicContact CE2-CD1 3.83Å; Y147-L169 HydrophobicContact CE2-CD2 3.46Å; Y147-L169 VanDerWaalsContact CE2-CD2 3.46Å; Y147-L169 HydrophobicContact CE2-CG 3.72Å; Y147-L169 HydrophobicContact CG-CD1 4.18Å; Y147-L169 HydrophobicContact CG-CD2 4.4Å | ||
| 148 | G | 94.5 | Very high | 93.8 | Very high | 80 Ų | 80 | 71.1 Ų | 71.1 | 83% | 0.825 | 40% | 0.402 | S | S | * | . | trans | -121.8 | 135.1 | 164 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 149 | A | 92.8 | Very high | 93.9 | Very high | 59 Ų | 59 | 71 Ų | 71 | 49% | 0.488 | 40% | 0.401 | S | S | . | . | trans | -139.7 | 139.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y147 F151 L169 | Y147-A149 HydrophobicContact CD2-CB 4.12Å; Y147-A149 HydrophobicContact CE2-CB 4.27Å; A149-F151 HydrophobicContact CB-CD1 4.35Å; A149-L169 HydrophobicContact CB-CD2 3.85Å | ||
| 150 | S | 91.6 | Very high | 93.9 | Very high | 128 Ų | 128 | 68.9 Ų | 68.9 | 90% | 0.895 | 39% | 0.391 | S | S | * | . | trans | -128.1 | 127.3 | 164.8 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 151 | F | 89.4 | Confident | 93.9 | Very high | 62 Ų | 62 | 68 Ų | 68 | 27% | 0.272 | 39% | 0.386 | S | S | . | . | trans | -153.9 | 164 | -173.8 | 63.9 | -76.7 | 0 | 0 | 0 | 111 | A149 H153 W171 | A149-F151 HydrophobicContact CB-CD1 4.35Å; F151-H153 HydrophobicContact CD2-CB 4.17Å; F151-H153 AromaticContact CD2-ND1 3.62Å; F151-H153 HydrophobicContact CE2-CB 4.19Å; F151-H153 AromaticContact CE2-CE1 3.94Å; F151-H153 AromaticContact CE2-CG 3.86Å; F151-H153 AromaticContact CE2-ND1 3.2Å; F151-H153 WeakPolarHBondContact CE2-ND1 3.49Å; F151-W171 HydrophobicContact CD2-CB 4.09Å; F151-W171 HydrophobicContact CD2-CD2 4.19Å; F151-W171 AromaticContact CD2-CG 3.84Å; F151-W171 HydrophobicContact CD2-CG 3.84Å; F151-W171 HydrophobicContact CE2-CB 4.04Å; F151-W171 HydrophobicContact CE2-CG 4.28Å | ||
| 152 | T | 90.8 | Very high | 93.8 | Very high | 100 Ų | 100 | 71.2 Ų | 71.2 | 61% | 0.613 | 39% | 0.392 | S | S | * | . | trans | -122.4 | 137.6 | 170.5 | -57.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 153 | H | 91.5 | Very high | 93.5 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | trans | -137.1 | 156.3 | -176.3 | 58.6 | -78.8 | 0 | 0 | 0 | 111.1 | Q94 F151 S158 W171 C172 | Q94-H153 PolarHBondContact OE1-CD2 2.82Å; Q94-H153 PolarHBondContact OE1-NE2 2.96Å; F151-H153 HydrophobicContact CD2-CB 4.17Å; F151-H153 AromaticContact CD2-ND1 3.62Å; F151-H153 HydrophobicContact CE2-CB 4.19Å; F151-H153 AromaticContact CE2-CE1 3.94Å; F151-H153 AromaticContact CE2-CG 3.86Å; F151-H153 AromaticContact CE2-ND1 3.2Å; F151-H153 WeakPolarHBondContact CE2-ND1 3.49Å; H153-S158 VanDerWaalsContact CD2-CB 3.41Å; H153-S158 WeakPolarHBondContact CD2-CB 3.42Å; H153-S158 PolarHBondContact CD2-OG 2.78Å; H153-S158 PolarHBondContact NE2-OG 3.17Å; H153-S158 VanDerWaalsContact NE2-OG 3.07Å; H153-W171 HydrophobicContact CB-CB 3.85Å; H153-W171 HydrophobicContact CB-CG 4.36Å; H153-C172 CarbonylContact C-O 3.47Å; H153-C172 WeakPolarHBondContact CA-O 3.2Å; H153-C172 WeakPolarHBondContact CB-O 3.25Å | ||
| 154 | S | 91.3 | Very high | 93.1 | Very high | 25 Ų | 25 | 72.5 Ų | 72.5 | 18% | 0.175 | 39% | 0.391 | C | S | . | . | trans | -63.9 | 146.5 | 170.6 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | N156 R157 C172 P174 | S154-N156 PolarHBondContact O-N 3.3Å; S154-R157 PolarHBondContact O-N 3.03Å; S154-C172 PolarHBondContact N-O 2.66Å; S154-P174 WeakPolarHBondContact OG-CD 3.5Å | ||
| 155 | E | 89.7 | Confident | 93 | Very high | 143 Ų | 143 | 66.6 Ų | 66.6 | 67% | 0.668 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 138.7 | 178.7 | -159.5 | -171.7 | 170 | 0 | 0 | 111.7 | R157 | E155-R157 WeakPolarHBondContact O-CG 3.18Å; E155-R157 PolarHBondContact O-N 3.23Å |
| 156 | N | 89.7 | Confident | 93.1 | Very high | 92 Ų | 92 | 66 Ų | 66 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 24.9 | 179.2 | -57.8 | -45.1 | 0 | 0 | 0 | 114.9 | Q94 S154 | Q94-N156 CarbonylContact O-C 3.49Å; Q94-N156 WeakPolarHBondContact O-CA 3.41Å; S154-N156 PolarHBondContact O-N 3.3Å |
| 157 | R | 94.4 | Very high | 93.4 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | trans | -134.8 | 42.5 | -177.4 | -61.9 | 177.7 | 179 | -98.9 | -0.1 | 113.8 | Q94 Y134 W138 S154 E155 W171 C172 | Q94-R157 PolarHBondContact O-N 3.35Å; Y134-R157 PolarHBondContact O-NH1 3.33Å; W138-R157 HydrophobicContact CH2-CB 3.81Å; W138-R157 HydrophobicContact CH2-CG 4.23Å; W138-R157 HydrophobicContact CZ2-CB 4.25Å; W138-R157 HydrophobicContact CZ2-CG 4.29Å; W138-R157 HydrophobicContact CZ3-CB 4.34Å; S154-R157 PolarHBondContact O-N 3.03Å; E155-R157 WeakPolarHBondContact O-CG 3.18Å; E155-R157 PolarHBondContact O-N 3.23Å; R157-W171 CarbonylContact O-C 2.84Å; R157-W171 VanDerWaalsContact O-CA 3.32Å; R157-W171 WeakPolarHBondContact O-CA 3.46Å; R157-C172 HydrophobicContact CB-CB 3.48Å; R157-C172 VanDerWaalsContact CB-CB 3.48Å; R157-C172 HydrophobicContact CG-CB 4.18Å; R157-C172 PolarHBondContact O-N 2.88Å | ||
| 158 | S | 97 | Very high | 93.5 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.8 | 168.8 | 65.3 | 0 | 0 | 0 | 0 | 113 | Q94 H153 I170 | Q94-S158 CarbonylContact C-O 3.45Å; Q94-S158 WeakPolarHBondContact CB-OG 3.46Å; Q94-S158 PolarHBondContact N-O 2.92Å; Q94-S158 PolarHBondContact O-N 2.94Å; H153-S158 VanDerWaalsContact CD2-CB 3.41Å; H153-S158 WeakPolarHBondContact CD2-CB 3.42Å; H153-S158 PolarHBondContact CD2-OG 2.78Å; H153-S158 PolarHBondContact NE2-OG 3.17Å; H153-S158 VanDerWaalsContact NE2-OG 3.07Å; S158-I170 CarbonylContact C-O 3.54Å; S158-I170 WeakPolarHBondContact CA-O 3.44Å |
| 159 | F | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 128.3 | 177.8 | -173.2 | -151.2 | 0 | 0 | 0 | 110.7 | L84 I90 H93 M95 Q100 I103 F161 I170 | L84-F159 HydrophobicContact CD2-CZ 4.02Å; I90-F159 HydrophobicContact CG1-CE2 4.41Å; I90-F159 HydrophobicContact CG2-CE2 4.27Å; H93-F159 HydrophobicContact CB-CD2 3.81Å; H93-F159 HydrophobicContact CB-CE2 4.4Å; M95-F159 HydrophobicContact CE-CB 3.63Å; M95-F159 HydrophobicContact CG-CB 4.36Å; M95-F159 HydrophobicContact SD-CB 3.6Å; M95-F159 HydrophobicContact SD-CD1 4.14Å; M95-F159 HydrophobicContact SD-CG 3.97Å; Q100-F159 HydrophobicContact CB-CD1 4.48Å; Q100-F159 HydrophobicContact CB-CE1 3.92Å; Q100-F159 HydrophobicContact CB-CE2 4.11Å; Q100-F159 HydrophobicContact CB-CZ 3.72Å; Q100-F159 HydrophobicContact CG-CD1 4.47Å; Q100-F159 HydrophobicContact CG-CD2 4.07Å; Q100-F159 HydrophobicContact CG-CE1 4.29Å; Q100-F159 HydrophobicContact CG-CE2 3.86Å; Q100-F159 HydrophobicContact CG-CG 4.38Å; Q100-F159 HydrophobicContact CG-CZ 3.99Å; Q100-F159 VanDerWaalsContact O-CE1 3.32Å; Q100-F159 WeakPolarHBondContact O-CE1 2.77Å; I103-F159 HydrophobicContact CB-CD1 4.03Å; I103-F159 HydrophobicContact CB-CE1 4.32Å; I103-F159 HydrophobicContact CD1-CD1 4.42Å; I103-F159 HydrophobicContact CG2-CD1 3.82Å; I103-F159 HydrophobicContact CG2-CE1 4.31Å; F159-F161 AromaticContact CD1-CD1 3.56Å; F159-F161 HydrophobicContact CD1-CD1 3.56Å; F159-F161 AromaticContact CD1-CE1 3.74Å; F159-F161 HydrophobicContact CD1-CE1 3.74Å; F159-F161 HydrophobicContact CD2-CD1 4.21Å; F159-F161 AromaticContact CE1-CD1 3.27Å; F159-F161 HydrophobicContact CE1-CD1 3.27Å; F159-F161 AromaticContact CE1-CE1 3.57Å; F159-F161 HydrophobicContact CE1-CE1 3.57Å; F159-F161 HydrophobicContact CE1-CG 4.03Å; F159-F161 HydrophobicContact CE2-CB 4.01Å; F159-F161 AromaticContact CE2-CD1 3.99Å; F159-F161 HydrophobicContact CE2-CD1 3.99Å; F159-F161 HydrophobicContact CE2-CG 4.35Å; F159-F161 HydrophobicContact CG-CD1 4.01Å; F159-F161 HydrophobicContact CZ-CB 3.91Å; F159-F161 AromaticContact CZ-CD1 3.51Å; F159-F161 HydrophobicContact CZ-CD1 3.51Å; F159-F161 HydrophobicContact CZ-CE1 4.25Å; F159-F161 AromaticContact CZ-CG 3.86Å; F159-F161 HydrophobicContact CZ-CG 3.86Å; F159-I170 PolarHBondContact N-O 3.35Å; F159-I170 WeakPolarHBondContact O-CB 3.18Å; F159-I170 PolarHBondContact O-N 2.85Å |
| 160 | Q | 97.7 | Very high | 93.9 | Very high | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.2 | 175.4 | -55.5 | -175.5 | 15.2 | 0 | 0 | 109.3 | I91 A92 Y147 F168 L169 | I91-Q160 HydrophobicContact CB-CB 3.98Å; I91-Q160 PolarHBondContact N-O 2.93Å; A92-Q160 HydrophobicContact CB-CB 4.26Å; A92-Q160 HydrophobicContact CB-CG 4.41Å; A92-Q160 PolarHBondContact N-O 3.48Å; A92-Q160 VanDerWaalsContact N-O 3.17Å; A92-Q160 WeakPolarHBondContact O-CA 3.43Å; A92-Q160 PolarHBondContact O-N 3.4Å; A92-Q160 VanDerWaalsContact O-O 3.1Å; Y147-Q160 PolarHBondContact OH-OE1 3.45Å; Q160-F168 VanDerWaalsContact CA-O 3.23Å; Q160-F168 WeakPolarHBondContact CA-O 3.32Å; Q160-L169 HydrophobicContact CG-CB 4.37Å; Q160-L169 HydrophobicContact CG-CG 4.3Å |
| 161 | F | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 159.5 | 179.4 | 65.2 | -82.6 | 0 | 0 | 0 | 110.5 | I88 Y89 I103 A107 F159 L163 F168 I170 | I88-F161 HydrophobicContact CG2-CB 3.89Å; I88-F161 HydrophobicContact CG2-CD2 3.91Å; I88-F161 HydrophobicContact CG2-CG 4.16Å; Y89-F161 CarbonylContact O-C 3.54Å; Y89-F161 VanDerWaalsContact O-CA 3.25Å; Y89-F161 WeakPolarHBondContact O-CA 3.34Å; I103-F161 HydrophobicContact CG2-CE1 4.22Å; A107-F161 HydrophobicContact CB-CE2 4.13Å; A107-F161 HydrophobicContact CB-CZ 3.62Å; F159-F161 AromaticContact CD1-CD1 3.56Å; F159-F161 HydrophobicContact CD1-CD1 3.56Å; F159-F161 AromaticContact CD1-CE1 3.74Å; F159-F161 HydrophobicContact CD1-CE1 3.74Å; F159-F161 HydrophobicContact CD2-CD1 4.21Å; F159-F161 AromaticContact CE1-CD1 3.27Å; F159-F161 HydrophobicContact CE1-CD1 3.27Å; F159-F161 AromaticContact CE1-CE1 3.57Å; F159-F161 HydrophobicContact CE1-CE1 3.57Å; F159-F161 HydrophobicContact CE1-CG 4.03Å; F159-F161 HydrophobicContact CE2-CB 4.01Å; F159-F161 AromaticContact CE2-CD1 3.99Å; F159-F161 HydrophobicContact CE2-CD1 3.99Å; F159-F161 HydrophobicContact CE2-CG 4.35Å; F159-F161 HydrophobicContact CG-CD1 4.01Å; F159-F161 HydrophobicContact CZ-CB 3.91Å; F159-F161 AromaticContact CZ-CD1 3.51Å; F159-F161 HydrophobicContact CZ-CD1 3.51Å; F159-F161 HydrophobicContact CZ-CE1 4.25Å; F159-F161 AromaticContact CZ-CG 3.86Å; F159-F161 HydrophobicContact CZ-CG 3.86Å; F161-L163 HydrophobicContact CD2-CB 4.2Å; F161-L163 HydrophobicContact CE2-CB 4.05Å; F161-F168 HydrophobicContact CD1-CB 4.08Å; F161-F168 HydrophobicContact CD2-CD2 4.17Å; F161-F168 HydrophobicContact CE1-CB 3.65Å; F161-F168 HydrophobicContact CE1-CG 4.16Å; F161-F168 HydrophobicContact CE2-CB 4.14Å; F161-F168 AromaticContact CE2-CD2 3.59Å; F161-F168 HydrophobicContact CE2-CD2 3.59Å; F161-F168 HydrophobicContact CE2-CE2 4.19Å; F161-F168 AromaticContact CE2-CG 3.91Å; F161-F168 HydrophobicContact CE2-CG 3.91Å; F161-F168 HydrophobicContact CG-CB 4.5Å; F161-F168 HydrophobicContact CZ-CB 3.67Å; F161-F168 HydrophobicContact CZ-CD1 4.22Å; F161-F168 AromaticContact CZ-CD2 3.84Å; F161-F168 HydrophobicContact CZ-CD2 3.84Å; F161-F168 AromaticContact CZ-CG 3.65Å; F161-F168 HydrophobicContact CZ-CG 3.65Å; F161-F168 PolarHBondContact N-O 3.38Å; F161-F168 VanDerWaalsContact N-O 3.15Å; F161-F168 PolarHBondContact O-N 3.21Å; F161-I170 HydrophobicContact CE1-CD1 3.86Å |
| 162 | R | 95.8 | Very high | 94.5 | Very high | 121 Ų | 121 | 42.1 Ų | 42.1 | 46% | 0.457 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.9 | 170.5 | -177.6 | 179.1 | 66 | 156.8 | 1.5 | 109.1 | Y89 I91 K166 | Y89-R162 PolarHBondContact N-O 2.79Å; Y89-R162 PolarHBondContact O-N 2.88Å; I91-R162 HydrophobicContact CD1-CB 4.38Å; R162-K166 WeakPolarHBondContact CA-O 3.47Å; R162-K166 WeakPolarHBondContact CG-O 3.28Å |
| 163 | L | 92.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 123.7 | 173.3 | 176.6 | 62.2 | 0 | 0 | 0 | 107.8 | D87 I88 R108 L111 F112 F161 D165 K166 F168 | D87-L163 WeakPolarHBondContact OD2-CD1 3.47Å; I88-L163 HydrophobicContact CG1-CD1 4.21Å; R108-L163 HydrophobicContact CB-CD2 3.96Å; L111-L163 HydrophobicContact CD2-CD2 3.93Å; L111-L163 HydrophobicContact CD2-CG 3.89Å; F112-L163 HydrophobicContact CE2-CD2 4.26Å; F161-L163 HydrophobicContact CD2-CB 4.2Å; F161-L163 HydrophobicContact CE2-CB 4.05Å; L163-D165 PolarHBondContact O-N 3.23Å; L163-K166 PolarHBondContact N-O 2.8Å; L163-K166 PolarHBondContact O-N 3.36Å; L163-K166 VanDerWaalsContact O-N 3.17Å; L163-F168 HydrophobicContact CB-CD2 4.5Å; L163-F168 HydrophobicContact CB-CE2 4.07Å |
| 164 | R | 88.1 | Confident | 94.2 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | -122 | -165.8 | -64.2 | -179.5 | 141.8 | 178 | -4.6 | 111.2 | E29 L111 F112 | E29-R164 VanDerWaalsContact C-NH2 3.29Å; E29-R164 VanDerWaalsContact CB-NH2 3.28Å; E29-R164 PolarHBondContact O-NH2 3.32Å; E29-R164 IonicContact OE2-NH2 3.67Å; L111-R164 HydrophobicContact CD2-CB 4.38Å; L111-R164 HydrophobicContact CD2-CG 4.3Å; F112-R164 VanDerWaalsContact CE1-NH1 3.26Å; F112-R164 VanDerWaalsContact CZ-CD 3.5Å; F112-R164 HydrophobicContact CZ-CG 3.95Å; F112-R164 VanDerWaalsContact CZ-NE 3.32Å |
| 165 | D | 90.7 | Very high | 93.2 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 31% | 0.31 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 8.5 | -177 | 64.7 | -39.8 | 0 | 0 | 0 | 113.1 | R144 L163 | R144-D165 IonicContact CZ-OD2 3.05Å; R144-D165 IonicContact NE-OD2 2.66Å; R144-D165 PolarHBondContact NE-OD2 3.41Å; R144-D165 IonicContact NH2-OD2 2.64Å; R144-D165 PolarHBondContact NH2-OD2 2.99Å; L163-D165 PolarHBondContact O-N 3.23Å |
| 166 | K | 95 | Very high | 91.8 | Very high | 30 Ų | 30 | 42 Ų | 42 | 13% | 0.13 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.5 | -176.9 | -64.9 | 176.7 | -169 | 169.1 | 0 | 111.9 | L111 N119 V142 V143 R162 L163 F168 | L111-K166 HydrophobicContact CD1-CD 3.64Å; N119-K166 WeakPolarHBondContact OD1-CE 3.18Å; N119-K166 PolarHBondContact OD1-NZ 2.84Å; V142-K166 HydrophobicContact CG1-CB 4.29Å; V142-K166 HydrophobicContact CG1-CD 3.99Å; V142-K166 HydrophobicContact CG1-CG 4.46Å; V143-K166 CarbonylContact O-C 3.51Å; V143-K166 VanDerWaalsContact O-CA 3.31Å; V143-K166 WeakPolarHBondContact O-CA 3.36Å; R162-K166 WeakPolarHBondContact CA-O 3.47Å; R162-K166 WeakPolarHBondContact CG-O 3.28Å; L163-K166 PolarHBondContact N-O 2.8Å; L163-K166 PolarHBondContact O-N 3.36Å; L163-K166 VanDerWaalsContact O-N 3.17Å; K166-F168 HydrophobicContact CB-CE2 4.03Å |
| 167 | C | 97.2 | Very high | 89.9 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 8% | 0.081 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.8 | 169.8 | -65.1 | 0 | 0 | 0 | 0 | 109.3 | I91 V142 V143 Y147 L169 | I91-C167 HydrophobicContact CD1-CB 4.36Å; V142-C167 WeakPolarHBondContact CA-O 3.28Å; V143-C167 PolarHBondContact N-O 3.35Å; V143-C167 PolarHBondContact O-N 3.03Å; Y147-C167 HydrophobicContact CD1-CB 4.06Å; Y147-C167 HydrophobicContact CE1-CB 3.77Å; C167-L169 HydrophobicContact CB-CD1 4.38Å |
| 168 | F | 98.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.8 | 175.7 | -67 | -100 | 0 | 0 | 0 | 108.2 | A107 I122 L126 V141 V142 Q160 F161 L163 K166 I170 | A107-F168 HydrophobicContact CB-CD1 4.09Å; A107-F168 HydrophobicContact CB-CE1 3.78Å; A107-F168 HydrophobicContact CB-CZ 4.05Å; I122-F168 HydrophobicContact CG2-CE1 3.81Å; I122-F168 HydrophobicContact CG2-CZ 4.37Å; L126-F168 HydrophobicContact CD2-CD1 4.02Å; L126-F168 HydrophobicContact CD2-CE1 4.37Å; V141-F168 WeakPolarHBondContact O-CA 3.2Å; V142-F168 HydrophobicContact CG1-CE1 4.29Å; V142-F168 HydrophobicContact CG1-CZ 4.43Å; V142-F168 HydrophobicContact CG2-CD1 3.81Å; V142-F168 HydrophobicContact CG2-CE1 3.82Å; Q160-F168 VanDerWaalsContact CA-O 3.23Å; Q160-F168 WeakPolarHBondContact CA-O 3.32Å; F161-F168 HydrophobicContact CD1-CB 4.08Å; F161-F168 HydrophobicContact CD2-CD2 4.17Å; F161-F168 HydrophobicContact CE1-CB 3.65Å; F161-F168 HydrophobicContact CE1-CG 4.16Å; F161-F168 HydrophobicContact CE2-CB 4.14Å; F161-F168 AromaticContact CE2-CD2 3.59Å; F161-F168 HydrophobicContact CE2-CD2 3.59Å; F161-F168 HydrophobicContact CE2-CE2 4.19Å; F161-F168 AromaticContact CE2-CG 3.91Å; F161-F168 HydrophobicContact CE2-CG 3.91Å; F161-F168 HydrophobicContact CG-CB 4.5Å; F161-F168 HydrophobicContact CZ-CB 3.67Å; F161-F168 HydrophobicContact CZ-CD1 4.22Å; F161-F168 AromaticContact CZ-CD2 3.84Å; F161-F168 HydrophobicContact CZ-CD2 3.84Å; F161-F168 AromaticContact CZ-CG 3.65Å; F161-F168 HydrophobicContact CZ-CG 3.65Å; F161-F168 PolarHBondContact N-O 3.38Å; F161-F168 VanDerWaalsContact N-O 3.15Å; F161-F168 PolarHBondContact O-N 3.21Å; L163-F168 HydrophobicContact CB-CD2 4.5Å; L163-F168 HydrophobicContact CB-CE2 4.07Å; K166-F168 HydrophobicContact CB-CE2 4.03Å; F168-I170 HydrophobicContact CB-CD1 4.33Å; F168-I170 HydrophobicContact CB-CG1 4.42Å |
| 169 | L | 98.2 | Very high | 84.6 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.8 | 169.3 | -62.3 | 63.9 | 0 | 0 | 0 | 107.9 | V140 V141 Y147 A149 Q160 C167 W171 | V140-L169 WeakPolarHBondContact CA-O 3.2Å; V141-L169 HydrophobicContact CB-CB 4.21Å; V141-L169 PolarHBondContact N-O 2.93Å; V141-L169 PolarHBondContact O-N 3.15Å; Y147-L169 HydrophobicContact CD1-CD1 4.03Å; Y147-L169 HydrophobicContact CD2-CD1 4.1Å; Y147-L169 HydrophobicContact CD2-CD2 3.63Å; Y147-L169 HydrophobicContact CD2-CG 4.23Å; Y147-L169 HydrophobicContact CE1-CD1 3.75Å; Y147-L169 HydrophobicContact CE1-CG 4.46Å; Y147-L169 HydrophobicContact CE2-CD1 3.83Å; Y147-L169 HydrophobicContact CE2-CD2 3.46Å; Y147-L169 VanDerWaalsContact CE2-CD2 3.46Å; Y147-L169 HydrophobicContact CE2-CG 3.72Å; Y147-L169 HydrophobicContact CG-CD1 4.18Å; Y147-L169 HydrophobicContact CG-CD2 4.4Å; A149-L169 HydrophobicContact CB-CD2 3.85Å; Q160-L169 HydrophobicContact CG-CB 4.37Å; Q160-L169 HydrophobicContact CG-CG 4.3Å; C167-L169 HydrophobicContact CB-CD1 4.38Å; L169-W171 HydrophobicContact CB-CE3 4.38Å; L169-W171 HydrophobicContact CB-CZ3 4.06Å |
| 170 | I | 98.3 | Very high | 82 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 125.1 | -173.3 | -56.5 | 173.2 | 0 | 0 | 0 | 108.2 | I103 L126 L130 W138 H139 V140 S158 F159 F161 F168 | I103-I170 HydrophobicContact CG2-CD1 3.43Å; I103-I170 VanDerWaalsContact CG2-CD1 3.43Å; L126-I170 HydrophobicContact CD2-CD1 3.66Å; L126-I170 HydrophobicContact CD2-CG1 4.47Å; L126-I170 HydrophobicContact CG-CD1 4.48Å; L130-I170 HydrophobicContact CD1-CG2 3.42Å; L130-I170 VanDerWaalsContact CD1-CG2 3.42Å; L130-I170 HydrophobicContact CD2-CG2 4.41Å; W138-I170 HydrophobicContact CE3-CG2 3.62Å; W138-I170 HydrophobicContact CZ3-CG2 3.78Å; H139-I170 WeakPolarHBondContact O-CA 3.4Å; V140-I170 HydrophobicContact CG1-CG1 4.31Å; V140-I170 HydrophobicContact CG2-CG1 4.39Å; V140-I170 HydrophobicContact CG2-CG2 4.36Å; S158-I170 CarbonylContact C-O 3.54Å; S158-I170 WeakPolarHBondContact CA-O 3.44Å; F159-I170 PolarHBondContact N-O 3.35Å; F159-I170 WeakPolarHBondContact O-CB 3.18Å; F159-I170 PolarHBondContact O-N 2.85Å; F161-I170 HydrophobicContact CE1-CD1 3.86Å; F168-I170 HydrophobicContact CB-CD1 4.33Å; F168-I170 HydrophobicContact CB-CG1 4.42Å |
| 171 | W | 97.7 | Very high | 81.2 | Confident | 43 Ų | 43 | 69 Ų | 69 | 16% | 0.163 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 151.2 | 174.9 | 72.2 | 99.6 | 0 | 0 | 0 | 112.7 | W138 H139 V141 F151 H153 R157 L169 | W138-W171 WeakPolarHBondContact CA-O 3.4Å; H139-W171 HydrophobicContact CB-CD2 3.79Å; H139-W171 VanDerWaalsContact CB-CE2 3.48Å; H139-W171 HydrophobicContact CB-CE3 4.08Å; H139-W171 HydrophobicContact CB-CG 4.43Å; H139-W171 HydrophobicContact CB-CH2 3.83Å; H139-W171 HydrophobicContact CB-CZ2 3.51Å; H139-W171 HydrophobicContact CB-CZ3 4.1Å; H139-W171 AromaticContact CD2-CD1 3.8Å; H139-W171 AromaticContact CD2-CE2 3.8Å; H139-W171 AromaticContact CD2-NE1 3.35Å; H139-W171 PolarHBondContact CD2-NE1 2.97Å; H139-W171 VanDerWaalsContact CD2-NE1 3.35Å; H139-W171 AromaticContact CG-CE2 3.77Å; H139-W171 AromaticContact CG-CZ2 3.87Å; H139-W171 AromaticContact CG-NE1 3.8Å; H139-W171 PolarHBondContact N-O 2.74Å; H139-W171 PolarHBondContact O-N 2.88Å; H139-W171 VanDerWaalsContact O-N 3.09Å; V141-W171 HydrophobicContact CG2-CH2 3.83Å; V141-W171 HydrophobicContact CG2-CZ3 3.87Å; F151-W171 HydrophobicContact CD2-CB 4.09Å; F151-W171 HydrophobicContact CD2-CD2 4.19Å; F151-W171 AromaticContact CD2-CG 3.84Å; F151-W171 HydrophobicContact CD2-CG 3.84Å; F151-W171 HydrophobicContact CE2-CB 4.04Å; F151-W171 HydrophobicContact CE2-CG 4.28Å; H153-W171 HydrophobicContact CB-CB 3.85Å; H153-W171 HydrophobicContact CB-CG 4.36Å; R157-W171 CarbonylContact O-C 2.84Å; R157-W171 VanDerWaalsContact O-CA 3.32Å; R157-W171 WeakPolarHBondContact O-CA 3.46Å; L169-W171 HydrophobicContact CB-CE3 4.38Å; L169-W171 HydrophobicContact CB-CZ3 4.06Å |
| 172 | C | 96.3 | Very high | 80.4 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.8 | 171.3 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | I137 W138 H153 S154 R157 | I137-C172 WeakPolarHBondContact O-CA 3.31Å; I137-C172 PolarHBondContact O-SG 3.17Å; I137-C172 VanDerWaalsContact O-SG 3.36Å; W138-C172 HydrophobicContact CD2-CB 3.95Å; W138-C172 HydrophobicContact CE3-CB 4.05Å; W138-C172 HydrophobicContact CG-CB 4.49Å; W138-C172 HydrophobicContact CH2-CB 4.34Å; W138-C172 HydrophobicContact CZ2-CB 4.21Å; W138-C172 HydrophobicContact CZ3-CB 4.24Å; H153-C172 CarbonylContact C-O 3.47Å; H153-C172 WeakPolarHBondContact CA-O 3.2Å; H153-C172 WeakPolarHBondContact CB-O 3.25Å; S154-C172 PolarHBondContact N-O 2.66Å; R157-C172 HydrophobicContact CB-CB 3.48Å; R157-C172 VanDerWaalsContact CB-CB 3.48Å; R157-C172 HydrophobicContact CG-CB 4.18Å; R157-C172 PolarHBondContact O-N 2.88Å |
| 173 | T | 92.3 | Very high | 79.5 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 17% | 0.172 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 149 | 168.5 | 47.4 | 0 | 0 | 0 | 0 | 111 | I137 H139 G175 | I137-T173 PolarHBondContact O-N 2.85Å; H139-T173 WeakPolarHBondContact NE2-CG2 3.32Å; H139-T173 PolarHBondContact NE2-OG1 2.64Å; T173-G175 PolarHBondContact O-N 2.8Å |
| 174 | P | 83.1 | Confident | 78.8 | Confident | 50 Ų | 50 | 74.1 Ų | 74.1 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 133.6 | 172.5 | -22.4 | 32.3 | 0 | 0 | 0 | 111.3 | S154 Q176 | S154-P174 WeakPolarHBondContact OG-CD 3.5Å; P174-Q176 VanDerWaalsContact C-N 3.26Å; P174-Q176 PolarHBondContact O-N 2.65Å |
| 175 | G | 70.4 | Confident | 78.2 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 62% | 0.619 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -72.2 | -12.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T173 | T173-G175 PolarHBondContact O-N 2.8Š|
| 176 | Q | 59.6 | Low | 77.3 | Confident | 176 Ų | 176 | 74.4 Ų | 74.4 | 82% | 0.822 | 40% | 0.403 | S | S | * | . | trans | -151.2 | 121.9 | 173.3 | -69.4 | 179.7 | -11.2 | 0 | 0 | 108 | P174 Q178 | P174-Q176 VanDerWaalsContact C-N 3.26Å; P174-Q176 PolarHBondContact O-N 2.65Å; Q176-Q178 PolarHBondContact O-N 2.8Å | ||
| 177 | Y | 50.4 | Low | 76.1 | Confident | 165 Ų | 165 | 77.6 Ų | 77.6 | 65% | 0.647 | 42% | 0.423 | S | S | * | . | trans | -73.8 | 114.6 | 159.7 | -74.2 | -88 | 0 | 0 | 0 | 106.6 | L179 | Y177-L179 PolarHBondContact O-N 3.13Å; Y177-L179 VanDerWaalsContact O-N 3.09Å | ||
| 178 | Q | 37.9 | Very low | 74.5 | Confident | 183 Ų | 183 | 82.6 Ų | 82.6 | 86% | 0.855 | 45% | 0.449 | S | S | * | . | trans | -68.8 | 98.5 | 148.3 | -80.4 | -175.4 | -26.4 | 0 | 0 | 105.2 | Q176 C180 | Q176-Q178 PolarHBondContact O-N 2.8Å; Q178-C180 PolarHBondContact O-N 3.09Å; Q178-C180 VanDerWaalsContact O-N 3.13Å | ||
| 179 | L | 41.1 | Very low | 72.5 | Confident | 159 Ų | 159 | 89.5 Ų | 89.5 | 83% | 0.832 | 49% | 0.487 | S | S | * | . | trans | -62.1 | 109.9 | 157.1 | -70.5 | 166 | 0 | 0 | 0 | 105.1 | Y177 | Y177-L179 PolarHBondContact O-N 3.13Å; Y177-L179 VanDerWaalsContact O-N 3.09Å | ||
| 180 | C | 44.6 | Very low | 70.2 | Confident | 196 Ų | 196 | 96.8 Ų | 96.8 | 100% | 1.324 | 53% | 0.526 | S | S | * | . | trans | -61.3 | 0 | 157.3 | -59.5 | 0 | 0 | 0 | 0 | 108.9 | Q178 | Q178-C180 PolarHBondContact O-N 3.09Å; Q178-C180 VanDerWaalsContact O-N 3.13Å |
Retrieved 180 of 180 residues in 180.1 ms
(Link to these results)