| 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 | 67.7 | Low | 86.1 | Confident | 108 Ų | 108 | 33.3 Ų | 33.3 | 53% | 0.532 | 18% | 0.176 | S | C | . | . | 0 | 138.7 | 0 | -173.3 | 163.1 | 65.3 | 0 | 0 | 108.6 | H5 L6 K9 C161 | M1-H5 HydrophobicContact CG-CB 3.55Å; M1-H5 HydrophobicContact SD-CB 3.98Å; M1-L6 HydrophobicContact CE-CB 3.65Å; M1-L6 HydrophobicContact CE-CD1 3.46Å; M1-L6 VanDerWaalsContact CE-CD1 3.46Å; M1-L6 HydrophobicContact CE-CG 4.11Å; M1-K9 HydrophobicContact CE-CD 4.42Å; M1-C161 HydrophobicContact CG-CB 4.3Å; M1-C161 HydrophobicContact SD-CB 3.31Å; M1-C161 WeakPolarHBondContact SD-CB 3.08Å | |||
| 2 | S | 78.4 | Confident | 86.8 | Confident | 54 Ų | 54 | 30.5 Ų | 30.5 | 38% | 0.378 | 16% | 0.162 | S | C | . | . | trans | -68.9 | 158.5 | 175.6 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | Y4 H5 L6 | S2-Y4 PolarHBondContact O-N 3.24Å; S2-H5 PolarHBondContact O-N 2.79Å; S2-H5 PolarHBondContact OG-N 2.98Å; S2-H5 VanDerWaalsContact OG-N 3.17Å; S2-H5 PolarHBondContact OG-ND1 3.26Å; S2-H5 VanDerWaalsContact OG-ND1 3.1Å; S2-L6 PolarHBondContact O-N 3.17Å; S2-L6 VanDerWaalsContact O-N 3.11Å | ||
| 3 | S | 83 | Confident | 87.3 | Confident | 56 Ų | 56 | 30.5 Ų | 30.5 | 39% | 0.392 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.8 | -38.4 | 173.2 | -159.1 | 0 | 0 | 0 | 0 | 111.1 | L6 N7 E120 | S3-L6 WeakPolarHBondContact O-CB 3.34Å; S3-L6 PolarHBondContact O-N 3.34Å; S3-N7 PolarHBondContact O-N 3.43Å; S3-N7 PolarHBondContact O-ND2 3.36Å; S3-E120 PolarHBondContact OG-OE2 2.85Å |
| 4 | Y | 85.9 | Confident | 88 | Confident | 79 Ų | 79 | 28.6 Ų | 28.6 | 31% | 0.31 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.7 | -53.9 | 177.8 | -170.6 | -98.5 | 0 | 0 | 0 | 112.6 | S2 L6 N7 V8 L124 E127 Y128 V153 | S2-Y4 PolarHBondContact O-N 3.24Å; Y4-L6 VanDerWaalsContact C-N 3.26Å; Y4-L6 PolarHBondContact O-N 2.94Å; Y4-N7 PolarHBondContact O-N 3.27Å; Y4-N7 VanDerWaalsContact O-N 3.16Å; Y4-V8 HydrophobicContact CD1-CG2 4.49Å; Y4-V8 HydrophobicContact CE1-CG2 4.25Å; Y4-V8 WeakPolarHBondContact O-CG2 3.32Å; Y4-V8 PolarHBondContact O-N 3.05Å; Y4-L124 HydrophobicContact CD2-CD2 3.95Å; Y4-L124 HydrophobicContact CE1-CD2 4.44Å; Y4-L124 HydrophobicContact CE2-CD2 3.27Å; Y4-L124 HydrophobicContact CE2-CG 4.36Å; Y4-E127 PolarHBondContact OH-OE1 3Å; Y4-E127 PolarHBondContact OH-OE2 3.3Å; Y4-Y128 VanDerWaalsContact OH-CE2 3.23Å; Y4-Y128 WeakPolarHBondContact OH-CE2 3.47Å; Y4-Y128 PolarHBondContact OH-OH 3.18Å; Y4-V153 HydrophobicContact CD1-CG1 4.33Å; Y4-V153 HydrophobicContact CE1-CG1 3.88Å |
| 5 | H | 85.2 | Confident | 88.6 | Confident | 27 Ų | 27 | 26.9 Ų | 26.9 | 13% | 0.125 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -33.1 | 179.2 | -62 | 153.2 | 0 | 0 | 0 | 112.5 | M1 S2 K9 L154 S158 | M1-H5 HydrophobicContact CG-CB 3.55Å; M1-H5 HydrophobicContact SD-CB 3.98Å; S2-H5 PolarHBondContact O-N 2.79Å; S2-H5 PolarHBondContact OG-N 2.98Å; S2-H5 VanDerWaalsContact OG-N 3.17Å; S2-H5 PolarHBondContact OG-ND1 3.26Å; S2-H5 VanDerWaalsContact OG-ND1 3.1Å; H5-K9 WeakPolarHBondContact O-CB 3.29Å; H5-K9 PolarHBondContact O-N 2.78Å; H5-L154 HydrophobicContact CB-CD2 3.97Å; H5-L154 WeakPolarHBondContact CD2-CD2 3.47Å; H5-L154 VanDerWaalsContact CG-CD2 3.4Å; H5-S158 VanDerWaalsContact CE1-CB 3.41Å; H5-S158 WeakPolarHBondContact CE1-CB 3.25Å; H5-S158 PolarHBondContact CE1-OG 3.36Å |
| 6 | L | 88 | Confident | 89 | Confident | 14 Ų | 14 | 28.4 Ų | 28.4 | 7% | 0.073 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -50.1 | 173 | -179.7 | 59.9 | 0 | 0 | 0 | 111.5 | M1 S2 S3 Y4 V8 K9 L10 F77 L117 | M1-L6 HydrophobicContact CE-CB 3.65Å; M1-L6 HydrophobicContact CE-CD1 3.46Å; M1-L6 VanDerWaalsContact CE-CD1 3.46Å; M1-L6 HydrophobicContact CE-CG 4.11Å; S2-L6 PolarHBondContact O-N 3.17Å; S2-L6 VanDerWaalsContact O-N 3.11Å; S3-L6 WeakPolarHBondContact O-CB 3.34Å; S3-L6 PolarHBondContact O-N 3.34Å; Y4-L6 VanDerWaalsContact C-N 3.26Å; Y4-L6 PolarHBondContact O-N 2.94Å; L6-V8 VanDerWaalsContact C-N 3.34Å; L6-V8 PolarHBondContact O-N 2.8Å; L6-K9 WeakPolarHBondContact O-CB 3.34Å; L6-K9 PolarHBondContact O-N 3.44Å; L6-L10 HydrophobicContact CD1-CD1 4.2Å; L6-L10 HydrophobicContact CD1-CD2 4.48Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CG-CD1 4.23Å; L6-L10 HydrophobicContact CG-CG 4.44Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.05Å; L6-F77 HydrophobicContact CD1-CD2 3.96Å; L6-F77 HydrophobicContact CD2-CD2 3.37Å; L6-F77 HydrophobicContact CD2-CE2 3.16Å; L6-F77 HydrophobicContact CD2-CG 4.18Å; L6-F77 HydrophobicContact CD2-CZ 3.82Å; L6-F77 HydrophobicContact CG-CD2 4.25Å; L6-F77 HydrophobicContact CG-CE2 4.43Å; L6-L117 HydrophobicContact CD2-CD1 4.25Å; L6-L117 HydrophobicContact CD2-CD2 3.79Å; L6-L117 HydrophobicContact CG-CD2 4.16Å |
| 7 | N | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | -179.7 | -81.6 | -76.5 | 0 | 0 | 0 | 111.8 | S3 Y4 K9 L10 L11 L117 E120 L124 | S3-N7 PolarHBondContact O-N 3.43Å; S3-N7 PolarHBondContact O-ND2 3.36Å; Y4-N7 PolarHBondContact O-N 3.27Å; Y4-N7 VanDerWaalsContact O-N 3.16Å; N7-K9 VanDerWaalsContact C-N 3.33Å; N7-K9 PolarHBondContact O-N 3.36Å; N7-L10 PolarHBondContact O-N 3.19Å; N7-L11 VanDerWaalsContact O-CB 3.32Å; N7-L11 WeakPolarHBondContact O-CB 3.08Å; N7-L11 PolarHBondContact O-N 2.96Å; N7-L117 VanDerWaalsContact ND2-CD2 3.33Å; N7-L117 WeakPolarHBondContact ND2-CD2 3.47Å; N7-L117 VanDerWaalsContact OD1-CA 3.28Å; N7-L117 WeakPolarHBondContact OD1-CA 3.43Å; N7-L117 WeakPolarHBondContact OD1-CD2 3.27Å; N7-L117 PolarHBondContact OD1-O 2.85Å; N7-E120 PolarHBondContact ND2-OE2 3.34Å; N7-L124 HydrophobicContact CB-CD1 3.22Å |
| 8 | V | 90.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | Y4 L6 L10 L11 V12 L124 Y128 L148 V153 | Y4-V8 HydrophobicContact CD1-CG2 4.49Å; Y4-V8 HydrophobicContact CE1-CG2 4.25Å; Y4-V8 WeakPolarHBondContact O-CG2 3.32Å; Y4-V8 PolarHBondContact O-N 3.05Å; L6-V8 VanDerWaalsContact C-N 3.34Å; L6-V8 PolarHBondContact O-N 2.8Å; V8-L10 PolarHBondContact O-N 2.7Å; V8-L11 PolarHBondContact O-N 3.31Å; V8-V12 HydrophobicContact CG1-CG2 4.42Å; V8-V12 WeakPolarHBondContact O-CG2 3.41Å; V8-V12 PolarHBondContact O-N 2.7Å; V8-L124 HydrophobicContact CG2-CD1 4.22Å; V8-L124 HydrophobicContact CG2-CD2 3.83Å; V8-Y128 HydrophobicContact CG2-CE2 4.31Å; V8-L148 HydrophobicContact CG1-CD2 4.24Å; V8-V153 HydrophobicContact CB-CG1 4.16Å; V8-V153 HydrophobicContact CG1-CB 4.39Å; V8-V153 HydrophobicContact CG1-CG1 4.04Å; V8-V153 HydrophobicContact CG1-CG2 3.83Å; V8-V153 HydrophobicContact CG2-CG1 3.85Å; V8-V153 HydrophobicContact CG2-CG2 4.3Å |
| 9 | K | 90.1 | Very high | 90.2 | Very high | 19 Ų | 19 | 27.8 Ų | 27.8 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 175.9 | 177.1 | 173.3 | -173.1 | 171.6 | 0 | 111.8 | M1 H5 L6 N7 T13 S74 Y145 C161 E164 | M1-K9 HydrophobicContact CE-CD 4.42Å; H5-K9 WeakPolarHBondContact O-CB 3.29Å; H5-K9 PolarHBondContact O-N 2.78Å; L6-K9 WeakPolarHBondContact O-CB 3.34Å; L6-K9 PolarHBondContact O-N 3.44Å; N7-K9 VanDerWaalsContact C-N 3.33Å; N7-K9 PolarHBondContact O-N 3.36Å; K9-T13 PolarHBondContact O-N 3.39Å; K9-T13 PolarHBondContact O-OG1 3.28Å; K9-S74 PolarHBondContact NZ-OG 2.97Å; K9-Y145 HydrophobicContact CB-CE1 4.34Å; K9-Y145 HydrophobicContact CG-CE1 3.92Å; K9-Y145 WeakPolarHBondContact CG-OH 3.48Å; K9-Y145 PolarHBondContact O-OH 3.47Å; K9-C161 PolarHBondContact NZ-O 3.43Å; K9-E164 PolarHBondContact NZ-O 3.3Å; K9-E164 IonicContact NZ-OE2 3.54Å |
| 10 | L | 93.4 | Very high | 90.5 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.6 | -41.6 | 179.1 | -63.9 | -175.5 | 0 | 0 | 0 | 111.7 | L6 N7 V8 V12 T13 E14 L62 Y65 F77 L117 | L6-L10 HydrophobicContact CD1-CD1 4.2Å; L6-L10 HydrophobicContact CD1-CD2 4.48Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CG-CD1 4.23Å; L6-L10 HydrophobicContact CG-CG 4.44Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.05Å; N7-L10 PolarHBondContact O-N 3.19Å; V8-L10 PolarHBondContact O-N 2.7Å; L10-V12 PolarHBondContact O-N 3.17Å; L10-T13 WeakPolarHBondContact O-CB 3.31Å; L10-T13 PolarHBondContact O-N 3.36Å; L10-E14 WeakPolarHBondContact O-CG 3.31Å; L10-E14 PolarHBondContact O-N 3.32Å; L10-L62 HydrophobicContact CB-CG 4.48Å; L10-Y65 HydrophobicContact CD1-CD1 4.43Å; L10-Y65 HydrophobicContact CD1-CE1 4.36Å; L10-Y65 HydrophobicContact CD2-CD1 4.29Å; L10-Y65 HydrophobicContact CD2-CE1 3.5Å; L10-Y65 HydrophobicContact CG-CE1 4.49Å; L10-F77 HydrophobicContact CD1-CB 4.28Å; L10-L117 HydrophobicContact CD1-CD1 3.85Å |
| 11 | L | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.8 | -52.2 | 175.7 | 175 | 58.7 | 0 | 0 | 0 | 111.1 | N7 V8 T13 E14 I15 I58 L124 V125 | N7-L11 VanDerWaalsContact O-CB 3.32Å; N7-L11 WeakPolarHBondContact O-CB 3.08Å; N7-L11 PolarHBondContact O-N 2.96Å; V8-L11 PolarHBondContact O-N 3.31Å; L11-T13 VanDerWaalsContact C-N 3.31Å; L11-T13 PolarHBondContact O-N 3.1Å; L11-E14 PolarHBondContact O-N 3.11Å; L11-E14 VanDerWaalsContact O-N 3.15Å; L11-I15 HydrophobicContact CD1-CD1 3.81Å; L11-I15 HydrophobicContact CD1-CG1 4.08Å; L11-I15 HydrophobicContact CG-CD1 3.86Å; L11-I15 WeakPolarHBondContact O-CG1 3.22Å; L11-I15 PolarHBondContact O-N 2.95Å; L11-I58 HydrophobicContact CD1-CG1 3.95Å; L11-I58 HydrophobicContact CD1-CG2 3.8Å; L11-L124 HydrophobicContact CD2-CB 4.38Å; L11-V125 HydrophobicContact CD1-CG2 3.63Å; L11-V125 HydrophobicContact CD2-CG2 3.85Å; L11-V125 HydrophobicContact CG-CG2 4.41Å |
| 12 | V | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 178.1 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | V8 L10 E14 I15 L16 L144 Y145 L148 | V8-V12 HydrophobicContact CG1-CG2 4.42Å; V8-V12 WeakPolarHBondContact O-CG2 3.41Å; V8-V12 PolarHBondContact O-N 2.7Å; L10-V12 PolarHBondContact O-N 3.17Å; V12-E14 VanDerWaalsContact C-N 3.3Å; V12-E14 PolarHBondContact O-N 3.19Å; V12-I15 PolarHBondContact O-N 3.3Å; V12-L16 HydrophobicContact CG1-CD1 3.87Å; V12-L16 HydrophobicContact CG1-CG 4.23Å; V12-L16 WeakPolarHBondContact O-CB 3.3Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 3.23Å; V12-L144 HydrophobicContact CG1-CB 4.11Å; V12-L144 HydrophobicContact CG1-CD2 4.08Å; V12-L144 HydrophobicContact CG1-CG 3.86Å; V12-L144 HydrophobicContact CG2-CG 4.37Å; V12-Y145 HydrophobicContact CB-CD1 4.07Å; V12-Y145 HydrophobicContact CB-CD2 4.32Å; V12-Y145 HydrophobicContact CB-CE1 3.93Å; V12-Y145 HydrophobicContact CB-CE2 4.17Å; V12-Y145 HydrophobicContact CB-CG 4.29Å; V12-Y145 HydrophobicContact CG1-CD1 3.76Å; V12-Y145 HydrophobicContact CG1-CD2 3.36Å; V12-Y145 HydrophobicContact CG1-CE1 3.98Å; V12-Y145 HydrophobicContact CG1-CE2 3.59Å; V12-Y145 HydrophobicContact CG1-CG 3.47Å; V12-Y145 VanDerWaalsContact CG1-CG 3.47Å; V12-L148 HydrophobicContact CG2-CB 4.35Å; V12-L148 HydrophobicContact CG2-CD2 3.6Å; V12-L148 HydrophobicContact CG2-CG 4.49Å |
| 13 | T | 94.2 | Very high | 92.9 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.8 | -48.9 | 174.2 | -55 | 0 | 0 | 0 | 0 | 111.2 | K9 L10 L11 L16 S17 Y145 | K9-T13 PolarHBondContact O-N 3.39Å; K9-T13 PolarHBondContact O-OG1 3.28Å; L10-T13 WeakPolarHBondContact O-CB 3.31Å; L10-T13 PolarHBondContact O-N 3.36Å; L11-T13 VanDerWaalsContact C-N 3.31Å; L11-T13 PolarHBondContact O-N 3.1Å; T13-L16 PolarHBondContact O-N 3.06Å; T13-S17 WeakPolarHBondContact O-CB 3.48Å; T13-S17 PolarHBondContact O-N 3.43Å; T13-Y145 PolarHBondContact OG1-OH 3.15Å |
| 14 | E | 97 | Very high | 93.4 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.8 | -37.4 | -176.3 | -66.5 | -55.9 | 140.1 | 0 | 0 | 111.9 | L10 L11 V12 S17 R18 I58 R61 L62 Y65 K79 | L10-E14 WeakPolarHBondContact O-CG 3.31Å; L10-E14 PolarHBondContact O-N 3.32Å; L11-E14 PolarHBondContact O-N 3.11Å; L11-E14 VanDerWaalsContact O-N 3.15Å; V12-E14 VanDerWaalsContact C-N 3.3Å; V12-E14 PolarHBondContact O-N 3.19Å; E14-S17 WeakPolarHBondContact O-CB 3.48Å; E14-S17 PolarHBondContact O-N 2.9Å; E14-R18 WeakPolarHBondContact O-CB 3.12Å; E14-R18 WeakPolarHBondContact O-CG 3.36Å; E14-R18 PolarHBondContact O-N 3.37Å; E14-I58 HydrophobicContact CB-CD1 3.74Å; E14-I58 HydrophobicContact CB-CG1 4.25Å; E14-R61 HydrophobicContact CG-CB 4.09Å; E14-R61 WeakPolarHBondContact OE2-CB 3.38Å; E14-R61 IonicContact OE2-CZ 2.78Å; E14-R61 IonicContact OE2-NE 2.73Å; E14-R61 PolarHBondContact OE2-NE 3.33Å; E14-R61 IonicContact OE2-NH2 3.97Å; E14-R61 PolarHBondContact OE2-NH2 2.62Å; E14-L62 HydrophobicContact CG-CD1 4.14Å; E14-Y65 HydrophobicContact CG-CE2 4.31Å; E14-Y65 VanDerWaalsContact OE1-CE2 3.31Å; E14-Y65 WeakPolarHBondContact OE1-CE2 3.22Å; E14-Y65 PolarHBondContact OE1-OH 3.28Å; E14-K79 WeakPolarHBondContact OE1-CE 3.38Å; E14-K79 IonicContact OE1-NZ 4Å; E14-K79 PolarHBondContact OE1-NZ 3.35Å; E14-K79 IonicContact OE2-NZ 3.57Å; E14-K79 PolarHBondContact OE2-NZ 2.88Å |
| 15 | I | 96.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.2 | -49.4 | 174.1 | -68 | 169.2 | 0 | 0 | 0 | 109.9 | L11 V12 S17 R18 L19 V52 L53 I58 I132 L144 | L11-I15 HydrophobicContact CD1-CD1 3.81Å; L11-I15 HydrophobicContact CD1-CG1 4.08Å; L11-I15 HydrophobicContact CG-CD1 3.86Å; L11-I15 WeakPolarHBondContact O-CG1 3.22Å; L11-I15 PolarHBondContact O-N 2.95Å; V12-I15 PolarHBondContact O-N 3.3Å; I15-S17 VanDerWaalsContact C-N 3.32Å; I15-S17 PolarHBondContact O-N 3.18Å; I15-R18 WeakPolarHBondContact O-CB 3.42Å; I15-R18 PolarHBondContact O-N 3.07Å; I15-L19 HydrophobicContact CG2-CD1 3.83Å; I15-L19 HydrophobicContact CG2-CG 4.42Å; I15-L19 WeakPolarHBondContact O-CG 3.43Å; I15-L19 PolarHBondContact O-N 2.55Å; I15-V52 HydrophobicContact CG2-CG1 4.06Å; I15-L53 HydrophobicContact CD1-CD2 4.11Å; I15-L53 HydrophobicContact CG1-CD2 3.99Å; I15-I58 HydrophobicContact CG1-CD1 4.28Å; I15-I58 HydrophobicContact CG1-CG1 3.89Å; I15-I132 HydrophobicContact CD1-CD1 3.92Å; I15-I132 HydrophobicContact CD1-CG1 4.48Å; I15-I132 HydrophobicContact CD1-CG2 4.46Å; I15-L144 HydrophobicContact CB-CD2 3.95Å; I15-L144 HydrophobicContact CD1-CD2 4.17Å; I15-L144 HydrophobicContact CG2-CD2 3.47Å; I15-L144 VanDerWaalsContact CG2-CD2 3.47Å |
| 16 | L | 95.6 | Very high | 94.2 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 178.3 | -70.1 | 175.2 | 0 | 0 | 0 | 112.1 | V12 T13 L19 Q20 W135 L144 Y145 | V12-L16 HydrophobicContact CG1-CD1 3.87Å; V12-L16 HydrophobicContact CG1-CG 4.23Å; V12-L16 WeakPolarHBondContact O-CB 3.3Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 3.23Å; T13-L16 PolarHBondContact O-N 3.06Å; L16-L19 HydrophobicContact CD2-CD1 4.29Å; L16-L19 PolarHBondContact O-N 3.18Å; L16-Q20 PolarHBondContact O-N 2.82Å; L16-Q20 VanDerWaalsContact O-N 3.08Å; L16-W135 HydrophobicContact CD2-CH2 4.4Å; L16-L144 HydrophobicContact CD2-CB 3.97Å; L16-L144 HydrophobicContact CG-CB 4.38Å; L16-Y145 HydrophobicContact CD1-CD2 3.5Å; L16-Y145 HydrophobicContact CD1-CE2 3.82Å |
| 17 | S | 96.3 | Very high | 94.4 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 173.4 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | T13 E14 I15 Q20 E21 R61 | T13-S17 WeakPolarHBondContact O-CB 3.48Å; T13-S17 PolarHBondContact O-N 3.43Å; E14-S17 WeakPolarHBondContact O-CB 3.48Å; E14-S17 PolarHBondContact O-N 2.9Å; I15-S17 VanDerWaalsContact C-N 3.32Å; I15-S17 PolarHBondContact O-N 3.18Å; S17-Q20 PolarHBondContact O-N 2.95Å; S17-E21 VanDerWaalsContact O-CG 3.31Å; S17-E21 WeakPolarHBondContact O-CG 3.3Å; S17-E21 PolarHBondContact O-N 3.14Å; S17-E21 PolarHBondContact OG-OE1 2.76Å; S17-R61 PolarHBondContact OG-NH2 3.16Å |
| 18 | R | 97 | Very high | 94.5 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 177.9 | -76.6 | -63.9 | -58.7 | 118.9 | 1.6 | 112 | E14 I15 Q20 E21 T22 E51 V52 I58 | E14-R18 WeakPolarHBondContact O-CB 3.12Å; E14-R18 WeakPolarHBondContact O-CG 3.36Å; E14-R18 PolarHBondContact O-N 3.37Å; I15-R18 WeakPolarHBondContact O-CB 3.42Å; I15-R18 PolarHBondContact O-N 3.07Å; R18-Q20 PolarHBondContact O-N 3.41Å; R18-E21 WeakPolarHBondContact CD-OE2 3.47Å; R18-E21 IonicContact CZ-OE2 3.8Å; R18-E21 IonicContact NE-OE2 3.45Å; R18-E21 IonicContact NH1-OE2 3.36Å; R18-E21 PolarHBondContact NH1-OE2 3.16Å; R18-E21 WeakPolarHBondContact O-CB 3.32Å; R18-E21 PolarHBondContact O-N 3.46Å; R18-E21 VanDerWaalsContact O-N 3.15Å; R18-T22 WeakPolarHBondContact O-CG2 3.44Å; R18-T22 PolarHBondContact O-N 3.07Å; R18-T22 PolarHBondContact O-OG1 3.13Å; R18-T22 VanDerWaalsContact O-OG1 3.09Å; R18-E51 PolarHBondContact NE-O 3.19Å; R18-E51 PolarHBondContact NH2-O 3.17Å; R18-V52 HydrophobicContact CB-CB 4.26Å; R18-V52 HydrophobicContact CB-CG1 3.87Å; R18-V52 HydrophobicContact CB-CG2 4.14Å; R18-I58 HydrophobicContact CG-CD1 3.68Å |
| 19 | L | 96.3 | Very high | 94.6 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -35 | 176.5 | -73 | 164 | 0 | 0 | 0 | 112.5 | I15 L16 T22 K23 R48 V52 W135 F136 | I15-L19 HydrophobicContact CG2-CD1 3.83Å; I15-L19 HydrophobicContact CG2-CG 4.42Å; I15-L19 WeakPolarHBondContact O-CG 3.43Å; I15-L19 PolarHBondContact O-N 2.55Å; L16-L19 HydrophobicContact CD2-CD1 4.29Å; L16-L19 PolarHBondContact O-N 3.18Å; L19-T22 CarbonylContact O-C 3.47Å; L19-K23 PolarHBondContact O-N 3.24Å; L19-R48 PolarHBondContact O-NH2 3.45Å; L19-V52 HydrophobicContact CD2-CG1 4.35Å; L19-V52 HydrophobicContact CD2-CG2 3.8Å; L19-V52 HydrophobicContact CG-CG1 4.16Å; L19-V52 HydrophobicContact CG-CG2 4.13Å; L19-W135 HydrophobicContact CD1-CH2 3.64Å; L19-W135 HydrophobicContact CD1-CZ3 3.63Å; L19-F136 HydrophobicContact CD2-CD2 4.1Å; L19-F136 HydrophobicContact CD2-CE2 3.76Å |
| 20 | Q | 96.1 | Very high | 94.5 | Very high | 121 Ų | 121 | 53.4 Ų | 53.4 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -71.1 | -42.1 | 174.5 | -174.7 | 176.2 | 1.5 | 0 | 0 | 111.9 | L16 S17 R18 T22 K23 | L16-Q20 PolarHBondContact O-N 2.82Å; L16-Q20 VanDerWaalsContact O-N 3.08Å; S17-Q20 PolarHBondContact O-N 2.95Å; R18-Q20 PolarHBondContact O-N 3.41Å; Q20-T22 VanDerWaalsContact C-N 3.29Å; Q20-T22 PolarHBondContact O-N 3.11Å; Q20-K23 WeakPolarHBondContact O-CB 3.23Å; Q20-K23 PolarHBondContact O-N 2.88Å |
| 21 | E | 96.4 | Very high | 94.3 | Very high | 102 Ų | 102 | 62.6 Ų | 62.6 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -35.1 | 175.1 | -70.6 | 163 | -158.7 | 0 | 0 | 112 | S17 R18 R61 | S17-E21 VanDerWaalsContact O-CG 3.31Å; S17-E21 WeakPolarHBondContact O-CG 3.3Å; S17-E21 PolarHBondContact O-N 3.14Å; S17-E21 PolarHBondContact OG-OE1 2.76Å; R18-E21 WeakPolarHBondContact CD-OE2 3.47Å; R18-E21 IonicContact CZ-OE2 3.8Å; R18-E21 IonicContact NE-OE2 3.45Å; R18-E21 IonicContact NH1-OE2 3.36Å; R18-E21 PolarHBondContact NH1-OE2 3.16Å; R18-E21 WeakPolarHBondContact O-CB 3.32Å; R18-E21 PolarHBondContact O-N 3.46Å; R18-E21 VanDerWaalsContact O-N 3.15Å; E21-R61 IonicContact OE1-CZ 3.62Å; E21-R61 IonicContact OE1-NH1 3.33Å; E21-R61 PolarHBondContact OE1-NH1 3.44Å; E21-R61 VanDerWaalsContact OE1-NH1 3.14Å; E21-R61 IonicContact OE1-NH2 2.7Å; E21-R61 PolarHBondContact OE1-NH2 2.86Å; E21-R61 IonicContact OE2-CZ 3.62Å; E21-R61 IonicContact OE2-NH1 2.8Å; E21-R61 PolarHBondContact OE2-NH1 2.77Å; E21-R61 IonicContact OE2-NH2 3.9Å |
| 22 | T | 95.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 65.3 Ų | 65.3 | 9% | 0.092 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 32.3 | 178.4 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | R18 L19 Q20 S24 Y42 R48 V52 | R18-T22 WeakPolarHBondContact O-CG2 3.44Å; R18-T22 PolarHBondContact O-N 3.07Å; R18-T22 PolarHBondContact O-OG1 3.13Å; R18-T22 VanDerWaalsContact O-OG1 3.09Å; L19-T22 CarbonylContact O-C 3.47Å; Q20-T22 VanDerWaalsContact C-N 3.29Å; Q20-T22 PolarHBondContact O-N 3.11Å; T22-S24 PolarHBondContact O-N 3.35Å; T22-Y42 VanDerWaalsContact O-CE1 3.22Å; T22-Y42 WeakPolarHBondContact O-CE1 3.35Å; T22-R48 PolarHBondContact O-NE 3.05Å; T22-R48 VanDerWaalsContact O-NE 3.07Å; T22-R48 PolarHBondContact OG1-NE 2.95Å; T22-V52 HydrophobicContact CG2-CG2 4.46Å |
| 23 | K | 94.7 | Very high | 93.4 | Very high | 167 Ų | 167 | 72.7 Ų | 72.7 | 73% | 0.726 | 39% | 0.394 | S | S | * | . | trans | -77.5 | 121 | 175.9 | -170.1 | 175.5 | -177.9 | 176.6 | 0 | 110.1 | L19 Q20 | L19-K23 PolarHBondContact O-N 3.24Å; Q20-K23 WeakPolarHBondContact O-CB 3.23Å; Q20-K23 PolarHBondContact O-N 2.88Å | ||
| 24 | S | 94.2 | Very high | 93.1 | Very high | 36 Ų | 36 | 79.2 Ų | 79.2 | 25% | 0.252 | 42% | 0.422 | S | S | . | . | trans | -146.1 | 145.8 | 170.2 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | T22 D26 | T22-S24 PolarHBondContact O-N 3.35Å; S24-D26 VanDerWaalsContact C-N 3.28Å; S24-D26 WeakPolarHBondContact OG-CB 3.43Å; S24-D26 PolarHBondContact OG-N 3.1Å; S24-D26 PolarHBondContact OG-OD2 3.13Å | ||
| 25 | S | 92.7 | Very high | 92.4 | Very high | 124 Ų | 124 | 81.5 Ų | 81.5 | 87% | 0.867 | 45% | 0.447 | S | S | * | . | trans | -86.6 | 4 | 173 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 26 | D | 94.1 | Very high | 92 | Very high | 106 Ų | 106 | 86.2 Ų | 86.2 | 57% | 0.567 | 47% | 0.472 | S | S | * | . | trans | -67.9 | 158 | -175.2 | -66.9 | -36.1 | 0 | 0 | 0 | 113 | S24 Y42 | S24-D26 VanDerWaalsContact C-N 3.28Å; S24-D26 WeakPolarHBondContact OG-CB 3.43Å; S24-D26 PolarHBondContact OG-N 3.1Å; S24-D26 PolarHBondContact OG-OD2 3.13Å; D26-Y42 WeakPolarHBondContact O-CB 3.44Å; D26-Y42 PolarHBondContact O-N 3.31Å | ||
| 27 | A | 93.6 | Very high | 91.6 | Very high | 64 Ų | 64 | 87.5 Ų | 87.5 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V40 | A27-V40 CarbonylContact C-O 3.06Å; A27-V40 VanDerWaalsContact CA-O 3.32Å; A27-V40 WeakPolarHBondContact CA-O 3.43Å |
| 28 | L | 92.6 | Very high | 91.3 | Very high | 45 Ų | 45 | 93 Ų | 93 | 24% | 0.236 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 140.3 | 173.8 | -56.7 | -178.5 | 0 | 0 | 0 | 109.7 | V30 K39 V40 Y42 L47 | L28-V30 HydrophobicContact CB-CG2 4.39Å; L28-K39 CarbonylContact O-C 3.59Å; L28-K39 WeakPolarHBondContact O-CA 3.41Å; L28-V40 PolarHBondContact N-O 3.31Å; L28-V40 PolarHBondContact O-N 3.04Å; L28-Y42 HydrophobicContact CD1-CD2 4.14Å; L28-Y42 HydrophobicContact CD2-CD2 4.11Å; L28-Y42 HydrophobicContact CG-CD2 4.25Å; L28-L47 HydrophobicContact CD1-CB 4.04Å; L28-L47 HydrophobicContact CD1-CD2 3.9Å; L28-L47 HydrophobicContact CD2-CD2 4.37Å |
| 29 | N | 91.9 | Very high | 91.1 | Very high | 98 Ų | 98 | 100 Ų | 100 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 101.3 | 171.4 | -167.5 | -27.7 | 0 | 0 | 0 | 109.1 | S37 | N29-S37 VanDerWaalsContact OD1-CB 3.23Å; N29-S37 WeakPolarHBondContact OD1-CB 3.5Å |
| 30 | V | 88.8 | Confident | 90.9 | Very high | 73 Ų | 73 | 101.9 Ų | 101.9 | 44% | 0.442 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.8 | -178.5 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | L28 K38 V40 | L28-V30 HydrophobicContact CB-CG2 4.39Å; V30-K38 PolarHBondContact N-O 3.33Å; V30-K38 PolarHBondContact O-N 2.88Å; V30-V40 HydrophobicContact CB-CG2 4.44Å; V30-V40 HydrophobicContact CG2-CB 4.3Å; V30-V40 HydrophobicContact CG2-CG2 3.89Å |
| 31 | R | 87.8 | Confident | 90.8 | Very high | 201 Ų | 201 | 102.9 Ų | 102.9 | 76% | 0.758 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.3 | 174.4 | -68.2 | -172.7 | -170.4 | -176.5 | 3.1 | 110.2 | D36 | R31-D36 WeakPolarHBondContact CA-O 3.34Å |
| 32 | S | 83.8 | Confident | 90.8 | Very high | 56 Ų | 56 | 99.2 Ų | 99.2 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 159.6 | 168.6 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | Q34 G35 D36 | S32-Q34 PolarHBondContact O-N 3.01Å; S32-Q34 PolarHBondContact OG-N 3.38Å; S32-G35 PolarHBondContact O-N 2.95Å; S32-D36 PolarHBondContact N-O 3.39Å |
| 33 | V | 86.8 | Confident | 90.8 | Very high | 155 Ų | 155 | 102.8 Ų | 102.8 | 94% | 0.939 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -31.5 | 170 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | G35 | V33-G35 PolarHBondContact O-N 3.27Š|
| 34 | Q | 86.3 | Confident | 90.7 | Very high | 168 Ų | 168 | 97.5 Ų | 97.5 | 79% | 0.785 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -0.6 | 179.1 | -63.7 | 179.3 | 41.9 | 0 | 0 | 113.7 | S32 | S32-Q34 PolarHBondContact O-N 3.01Å; S32-Q34 PolarHBondContact OG-N 3.38Å |
| 35 | G | 83.4 | Confident | 90.8 | Very high | 53 Ų | 53 | 96 Ų | 96 | 55% | 0.546 | 52% | 0.52 | S | S | . | . | S | Bend | trans | 92 | -11.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | S32 V33 S37 | S32-G35 PolarHBondContact O-N 2.95Å; V33-G35 PolarHBondContact O-N 3.27Å; G35-S37 PolarHBondContact O-N 3.3Å |
| 36 | D | 87.9 | Confident | 90.9 | Very high | 101 Ų | 101 | 97.4 Ų | 97.4 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | trans | -66.6 | 130.9 | 176.1 | -64.9 | -35.2 | 0 | 0 | 0 | 111.6 | R31 S32 | R31-D36 WeakPolarHBondContact CA-O 3.34Å; S32-D36 PolarHBondContact N-O 3.39Å | ||
| 37 | S | 87.1 | Confident | 91 | Very high | 77 Ų | 77 | 96.2 Ų | 96.2 | 54% | 0.538 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.4 | 174.7 | 56.2 | 0 | 0 | 0 | 0 | 111.6 | N29 G35 | N29-S37 VanDerWaalsContact OD1-CB 3.23Å; N29-S37 WeakPolarHBondContact OD1-CB 3.5Å; G35-S37 PolarHBondContact O-N 3.3Å |
| 38 | K | 90.3 | Very high | 91.1 | Very high | 150 Ų | 150 | 93.8 Ų | 93.8 | 65% | 0.652 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.7 | 171.5 | -67.3 | -176.2 | -179 | 179 | 0 | 110.1 | V30 | V30-K38 PolarHBondContact N-O 3.33Å; V30-K38 PolarHBondContact O-N 2.88Å |
| 39 | K | 92.2 | Very high | 91.4 | Very high | 176 Ų | 176 | 92.2 Ų | 92.2 | 77% | 0.765 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 123.3 | 170.6 | -68.9 | -171.6 | 178.7 | -177.1 | 0 | 109.3 | L28 | L28-K39 CarbonylContact O-C 3.59Å; L28-K39 WeakPolarHBondContact O-CA 3.41Å |
| 40 | V | 93.2 | Very high | 91.6 | Very high | 52 Ų | 52 | 93.5 Ų | 93.5 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.3 | 176.9 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | A27 L28 V30 Y42 | A27-V40 CarbonylContact C-O 3.06Å; A27-V40 VanDerWaalsContact CA-O 3.32Å; A27-V40 WeakPolarHBondContact CA-O 3.43Å; L28-V40 PolarHBondContact N-O 3.31Å; L28-V40 PolarHBondContact O-N 3.04Å; V30-V40 HydrophobicContact CB-CG2 4.44Å; V30-V40 HydrophobicContact CG2-CB 4.3Å; V30-V40 HydrophobicContact CG2-CG2 3.89Å; V40-Y42 PolarHBondContact O-N 3.48Å |
| 41 | K | 95 | Very high | 92 | Very high | 142 Ų | 142 | 92.6 Ų | 92.6 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 132.9 | 174.5 | -66.6 | -177.2 | 179.2 | -178.4 | 0 | 109.2 | E43 T44 S45 | K41-E43 VanDerWaalsContact C-N 3.26Å; K41-E43 PolarHBondContact O-N 3.45Å; K41-T44 PolarHBondContact O-N 3.05Å; K41-S45 WeakPolarHBondContact O-CB 3.34Å; K41-S45 PolarHBondContact O-N 3.43Å |
| 42 | Y | 95.7 | Very high | 92.5 | Very high | 25 Ų | 25 | 83.1 Ų | 83.1 | 10% | 0.098 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -61.4 | -38.5 | 177.6 | 172.4 | -105 | 0 | 0 | 0 | 111.8 | T22 D26 L28 V40 T44 S45 L47 R48 E51 | T22-Y42 VanDerWaalsContact O-CE1 3.22Å; T22-Y42 WeakPolarHBondContact O-CE1 3.35Å; D26-Y42 WeakPolarHBondContact O-CB 3.44Å; D26-Y42 PolarHBondContact O-N 3.31Å; L28-Y42 HydrophobicContact CD1-CD2 4.14Å; L28-Y42 HydrophobicContact CD2-CD2 4.11Å; L28-Y42 HydrophobicContact CG-CD2 4.25Å; V40-Y42 PolarHBondContact O-N 3.48Å; Y42-T44 PolarHBondContact O-N 2.92Å; Y42-T44 VanDerWaalsContact O-N 3.1Å; Y42-S45 WeakPolarHBondContact O-CB 3.45Å; Y42-S45 PolarHBondContact O-N 3.37Å; Y42-S45 PolarHBondContact O-OG 2.94Å; Y42-L47 HydrophobicContact CE2-CD2 4.49Å; Y42-R48 HydrophobicContact CD2-CB 4.21Å; Y42-R48 HydrophobicContact CE1-CB 4.3Å; Y42-R48 HydrophobicContact CE1-CG 4.01Å; Y42-R48 HydrophobicContact CE2-CB 3.83Å; Y42-R48 HydrophobicContact CE2-CG 4.35Å; Y42-R48 VanDerWaalsContact O-CB 3.26Å; Y42-R48 WeakPolarHBondContact O-CB 3.28Å; Y42-R48 WeakPolarHBondContact O-CD 3.33Å; Y42-E51 WeakPolarHBondContact CE2-OE2 3.33Å; Y42-E51 PolarHBondContact OH-OE2 2.99Å |
| 43 | E | 94.7 | Very high | 93.1 | Very high | 90 Ų | 90 | 81 Ų | 81 | 42% | 0.421 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -50.8 | -35.3 | 178 | 178 | 165.2 | -136.5 | 0 | 0 | 114.2 | K41 R48 F136 Q140 | K41-E43 VanDerWaalsContact C-N 3.26Å; K41-E43 PolarHBondContact O-N 3.45Å; E43-R48 PolarHBondContact O-NH1 3.1Å; E43-F136 WeakPolarHBondContact O-CZ 3.48Å; E43-Q140 PolarHBondContact O-NE2 2.99Å; E43-Q140 VanDerWaalsContact O-NE2 3.09Å |
| 44 | T | 93.6 | Very high | 93.6 | Very high | 56 Ų | 56 | 77.9 Ų | 77.9 | 34% | 0.344 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -115.9 | 22.6 | -179.6 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | K41 Y42 | K41-T44 PolarHBondContact O-N 3.05Å; Y42-T44 PolarHBondContact O-N 2.92Å; Y42-T44 VanDerWaalsContact O-N 3.1Å |
| 45 | S | 95.1 | Very high | 94 | Very high | 5 Ų | 5 | 74.6 Ų | 74.6 | 4% | 0.035 | 38% | 0.375 | C | S | . | . | trans | -87.5 | 145.9 | -179.5 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | K41 Y42 L47 R48 L49 F136 | K41-S45 WeakPolarHBondContact O-CB 3.34Å; K41-S45 PolarHBondContact O-N 3.43Å; Y42-S45 WeakPolarHBondContact O-CB 3.45Å; Y42-S45 PolarHBondContact O-N 3.37Å; Y42-S45 PolarHBondContact O-OG 2.94Å; S45-L47 PolarHBondContact O-N 3.2Å; S45-R48 PolarHBondContact O-N 3.03Å; S45-R48 VanDerWaalsContact O-N 3.14Å; S45-R48 PolarHBondContact OG-N 3.28Å; S45-L49 PolarHBondContact O-N 3.4Å; S45-F136 WeakPolarHBondContact O-CE1 3.48Å | ||
| 46 | E | 95.1 | Very high | 94.6 | Very high | 152 Ų | 152 | 75.2 Ų | 75.2 | 71% | 0.71 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -55.8 | -35.8 | 170.2 | -175.1 | -176.1 | 173.3 | 0 | 0 | 112.1 | R48 L49 Y50 | E46-R48 PolarHBondContact O-N 3.41Å; E46-L49 WeakPolarHBondContact O-CB 3.46Å; E46-L49 PolarHBondContact O-N 3.49Å; E46-Y50 WeakPolarHBondContact O-CB 3.26Å; E46-Y50 PolarHBondContact O-N 3.38Å |
| 47 | L | 95.8 | Very high | 95 | Very high | 82 Ų | 82 | 73.9 Ų | 73.9 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57 | -48.1 | 175.1 | 177.7 | 62.6 | 0 | 0 | 0 | 111.7 | L28 Y42 S45 L49 Y50 E51 | L28-L47 HydrophobicContact CD1-CB 4.04Å; L28-L47 HydrophobicContact CD1-CD2 3.9Å; L28-L47 HydrophobicContact CD2-CD2 4.37Å; Y42-L47 HydrophobicContact CE2-CD2 4.49Å; S45-L47 PolarHBondContact O-N 3.2Å; L47-L49 VanDerWaalsContact C-N 3.33Å; L47-L49 PolarHBondContact O-N 2.93Å; L47-Y50 PolarHBondContact O-N 2.89Å; L47-E51 HydrophobicContact CD1-CG 4.41Å; L47-E51 WeakPolarHBondContact O-CG 3.4Å; L47-E51 PolarHBondContact O-N 2.85Å |
| 48 | R | 97.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 70.3 Ų | 70.3 | 5% | 0.045 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 179.1 | -175.7 | -178.5 | -177.6 | -138 | 2.7 | 111.6 | L19 T22 Y42 E43 S45 E46 E51 V52 F136 | L19-R48 PolarHBondContact O-NH2 3.45Å; T22-R48 PolarHBondContact O-NE 3.05Å; T22-R48 VanDerWaalsContact O-NE 3.07Å; T22-R48 PolarHBondContact OG1-NE 2.95Å; Y42-R48 HydrophobicContact CD2-CB 4.21Å; Y42-R48 HydrophobicContact CE1-CB 4.3Å; Y42-R48 HydrophobicContact CE1-CG 4.01Å; Y42-R48 HydrophobicContact CE2-CB 3.83Å; Y42-R48 HydrophobicContact CE2-CG 4.35Å; Y42-R48 VanDerWaalsContact O-CB 3.26Å; Y42-R48 WeakPolarHBondContact O-CB 3.28Å; Y42-R48 WeakPolarHBondContact O-CD 3.33Å; E43-R48 PolarHBondContact O-NH1 3.1Å; S45-R48 PolarHBondContact O-N 3.03Å; S45-R48 VanDerWaalsContact O-N 3.14Å; S45-R48 PolarHBondContact OG-N 3.28Å; E46-R48 PolarHBondContact O-N 3.41Å; R48-E51 PolarHBondContact O-N 2.84Å; R48-V52 HydrophobicContact CG-CG2 4.44Å; R48-V52 WeakPolarHBondContact O-CB 3.41Å; R48-V52 WeakPolarHBondContact O-CG2 3.35Å; R48-V52 PolarHBondContact O-N 3.46Å; R48-F136 HydrophobicContact CB-CZ 4.17Å; R48-F136 HydrophobicContact CG-CE2 4.5Å; R48-F136 HydrophobicContact CG-CZ 4.28Å |
| 49 | L | 97.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 63.5 Ų | 63.5 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 175.3 | -179.3 | 64.3 | 0 | 0 | 0 | 111 | S45 E46 L47 V52 L53 E133 F136 Y137 | S45-L49 PolarHBondContact O-N 3.4Å; E46-L49 WeakPolarHBondContact O-CB 3.46Å; E46-L49 PolarHBondContact O-N 3.49Å; L47-L49 VanDerWaalsContact C-N 3.33Å; L47-L49 PolarHBondContact O-N 2.93Å; L49-V52 PolarHBondContact O-N 3.41Å; L49-V52 VanDerWaalsContact O-N 3.16Å; L49-L53 HydrophobicContact CD1-CD1 3.54Å; L49-L53 HydrophobicContact CD1-CG 4.04Å; L49-L53 HydrophobicContact CG-CD1 4.08Å; L49-L53 PolarHBondContact O-N 3.06Å; L49-E133 HydrophobicContact CD2-CG 3.95Å; L49-F136 HydrophobicContact CB-CD1 4.03Å; L49-F136 HydrophobicContact CB-CE1 3.74Å; L49-F136 HydrophobicContact CB-CE2 4.44Å; L49-F136 HydrophobicContact CB-CZ 3.96Å; L49-F136 HydrophobicContact CD1-CB 4.1Å; L49-F136 HydrophobicContact CD1-CD1 4.03Å; L49-F136 HydrophobicContact CD1-CD2 4Å; L49-F136 HydrophobicContact CD1-CE1 4.49Å; L49-F136 HydrophobicContact CD1-CE2 4.45Å; L49-F136 HydrophobicContact CD1-CG 3.77Å; L49-F136 HydrophobicContact CD2-CD1 4.36Å; L49-F136 HydrophobicContact CG-CD1 4.36Å; L49-Y137 HydrophobicContact CD2-CE2 3.89Å; L49-Y137 WeakPolarHBondContact CD2-OH 3.35Å |
| 50 | Y | 97.4 | Very high | 96.1 | Very high | 125 Ų | 125 | 56.9 Ų | 56.9 | 49% | 0.49 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 176 | 176.2 | -91.3 | 0 | 0 | 0 | 112.1 | E46 L47 V52 L53 E54 D55 | E46-Y50 WeakPolarHBondContact O-CB 3.26Å; E46-Y50 PolarHBondContact O-N 3.38Å; L47-Y50 PolarHBondContact O-N 2.89Å; Y50-V52 PolarHBondContact O-N 3.24Å; Y50-L53 PolarHBondContact O-N 3.45Å; Y50-E54 HydrophobicContact CD2-CB 3.65Å; Y50-E54 HydrophobicContact CD2-CG 3.95Å; Y50-E54 HydrophobicContact CE2-CB 3.55Å; Y50-E54 HydrophobicContact CE2-CG 4.13Å; Y50-E54 HydrophobicContact CG-CB 4.25Å; Y50-E54 WeakPolarHBondContact O-CA 3.5Å; Y50-E54 WeakPolarHBondContact O-CB 3.23Å; Y50-E54 PolarHBondContact O-N 2.92Å; Y50-D55 HydrophobicContact CD1-CB 4.26Å; Y50-D55 HydrophobicContact CE1-CB 3.69Å; Y50-D55 PolarHBondContact O-N 3.07Å |
| 51 | E | 97 | Very high | 96.3 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.9 | -32.7 | 176.2 | -72.1 | 171.7 | 158.7 | 0 | 0 | 112.5 | R18 Y42 L47 R48 | R18-E51 PolarHBondContact NE-O 3.19Å; R18-E51 PolarHBondContact NH2-O 3.17Å; Y42-E51 WeakPolarHBondContact CE2-OE2 3.33Å; Y42-E51 PolarHBondContact OH-OE2 2.99Å; L47-E51 HydrophobicContact CD1-CG 4.41Å; L47-E51 WeakPolarHBondContact O-CG 3.4Å; L47-E51 PolarHBondContact O-N 2.85Å; R48-E51 PolarHBondContact O-N 2.84Å |
| 52 | V | 97.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -75.9 | -42.4 | 179.5 | 165.3 | 0 | 0 | 0 | 0 | 111.6 | I15 R18 L19 T22 R48 L49 Y50 | I15-V52 HydrophobicContact CG2-CG1 4.06Å; R18-V52 HydrophobicContact CB-CB 4.26Å; R18-V52 HydrophobicContact CB-CG1 3.87Å; R18-V52 HydrophobicContact CB-CG2 4.14Å; L19-V52 HydrophobicContact CD2-CG1 4.35Å; L19-V52 HydrophobicContact CD2-CG2 3.8Å; L19-V52 HydrophobicContact CG-CG1 4.16Å; L19-V52 HydrophobicContact CG-CG2 4.13Å; T22-V52 HydrophobicContact CG2-CG2 4.46Å; R48-V52 HydrophobicContact CG-CG2 4.44Å; R48-V52 WeakPolarHBondContact O-CB 3.41Å; R48-V52 WeakPolarHBondContact O-CG2 3.35Å; R48-V52 PolarHBondContact O-N 3.46Å; L49-V52 PolarHBondContact O-N 3.41Å; L49-V52 VanDerWaalsContact O-N 3.16Å; Y50-V52 PolarHBondContact O-N 3.24Å |
| 53 | L | 97.5 | Very high | 96.4 | Very high | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -96.5 | -33.6 | -171.1 | -64.1 | -177.3 | 0 | 0 | 0 | 114.4 | I15 L49 Y50 P57 I58 I132 | I15-L53 HydrophobicContact CD1-CD2 4.11Å; I15-L53 HydrophobicContact CG1-CD2 3.99Å; L49-L53 HydrophobicContact CD1-CD1 3.54Å; L49-L53 HydrophobicContact CD1-CG 4.04Å; L49-L53 HydrophobicContact CG-CD1 4.08Å; L49-L53 PolarHBondContact O-N 3.06Å; Y50-L53 PolarHBondContact O-N 3.45Å; L53-P57 CarbonylContact O-C 3.25Å; L53-P57 WeakPolarHBondContact O-CA 3.46Å; L53-I58 HydrophobicContact CD2-CG2 4.39Å; L53-I58 PolarHBondContact O-N 2.74Å; L53-I132 HydrophobicContact CD1-CG2 4.15Å; L53-I132 HydrophobicContact CD2-CG2 4.4Å |
| 54 | E | 96.5 | Very high | 96.4 | Very high | 89 Ų | 89 | 51.6 Ų | 51.6 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -119.6 | -25.6 | -163.9 | -62.4 | -58.4 | 151.5 | 0 | 0 | 114.4 | Y50 P56 P57 | Y50-E54 HydrophobicContact CD2-CB 3.65Å; Y50-E54 HydrophobicContact CD2-CG 3.95Å; Y50-E54 HydrophobicContact CE2-CB 3.55Å; Y50-E54 HydrophobicContact CE2-CG 4.13Å; Y50-E54 HydrophobicContact CG-CB 4.25Å; Y50-E54 WeakPolarHBondContact O-CA 3.5Å; Y50-E54 WeakPolarHBondContact O-CB 3.23Å; Y50-E54 PolarHBondContact O-N 2.92Å; E54-P56 CarbonylContact C-O 3.53Å; E54-P56 CarbonylContact O-C 3.54Å; E54-P56 WeakPolarHBondContact O-CA 3.36Å; E54-P57 WeakPolarHBondContact O-CD 3.44Å |
| 55 | D | 94.5 | Very high | 96.5 | Very high | 98 Ų | 98 | 49.6 Ų | 49.6 | 52% | 0.524 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 89.7 | -176.3 | -165.8 | 15.7 | 0 | 0 | 0 | 113.9 | Y50 | Y50-D55 HydrophobicContact CD1-CB 4.26Å; Y50-D55 HydrophobicContact CE1-CB 3.69Å; Y50-D55 PolarHBondContact O-N 3.07Å |
| 56 | P | 95.5 | Very high | 96.4 | Very high | 67 Ų | 67 | 52.4 Ų | 52.4 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -77.1 | 169.7 | -9.2 | 34.2 | -36.5 | 0 | 0 | 0 | 112.1 | E54 I58 | E54-P56 CarbonylContact C-O 3.53Å; E54-P56 CarbonylContact O-C 3.54Å; E54-P56 WeakPolarHBondContact O-CA 3.36Å; P56-I58 PolarHBondContact O-N 3.41Å |
| 57 | P | 97.3 | Very high | 96.3 | Very high | 72 Ų | 72 | 46 Ų | 46 | 47% | 0.468 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -55.3 | 129.4 | -178.5 | -28.3 | 35.6 | 0 | 0 | 0 | 111.7 | L53 E54 C59 S60 | L53-P57 CarbonylContact O-C 3.25Å; L53-P57 WeakPolarHBondContact O-CA 3.46Å; E54-P57 WeakPolarHBondContact O-CD 3.44Å; P57-C59 PolarHBondContact O-N 3.03Å; P57-C59 VanDerWaalsContact O-N 3.11Å; P57-S60 WeakPolarHBondContact O-CB 3.26Å; P57-S60 PolarHBondContact O-N 3.16Å; P57-S60 PolarHBondContact O-OG 3.21Å |
| 58 | I | 97.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -55 | -40.7 | -168.4 | -174.3 | 60.7 | 0 | 0 | 0 | 112.6 | L11 E14 I15 R18 L53 P56 S60 R61 V125 | L11-I58 HydrophobicContact CD1-CG1 3.95Å; L11-I58 HydrophobicContact CD1-CG2 3.8Å; E14-I58 HydrophobicContact CB-CD1 3.74Å; E14-I58 HydrophobicContact CB-CG1 4.25Å; I15-I58 HydrophobicContact CG1-CD1 4.28Å; I15-I58 HydrophobicContact CG1-CG1 3.89Å; R18-I58 HydrophobicContact CG-CD1 3.68Å; L53-I58 HydrophobicContact CD2-CG2 4.39Å; L53-I58 PolarHBondContact O-N 2.74Å; P56-I58 PolarHBondContact O-N 3.41Å; I58-S60 PolarHBondContact O-N 3.3Å; I58-R61 WeakPolarHBondContact O-CB 3.16Å; I58-R61 PolarHBondContact O-N 3.14Å; I58-R61 VanDerWaalsContact O-N 3.14Å; I58-V125 HydrophobicContact CG2-CG2 3.68Å |
| 59 | C | 97.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -62.5 | -26.6 | 179.6 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | P57 R61 L62 F118 C121 I122 V125 | P57-C59 PolarHBondContact O-N 3.03Å; P57-C59 VanDerWaalsContact O-N 3.11Å; C59-R61 PolarHBondContact O-N 3.05Å; C59-R61 VanDerWaalsContact O-N 3.09Å; C59-L62 WeakPolarHBondContact O-CB 3.5Å; C59-L62 PolarHBondContact O-N 3.45Å; C59-F118 HydrophobicContact CB-CD2 4.2Å; C59-F118 HydrophobicContact CB-CE2 4.25Å; C59-F118 VanDerWaalsContact O-CD2 3.3Å; C59-F118 WeakPolarHBondContact O-CD2 3.39Å; C59-C121 WeakPolarHBondContact CA-SG 3.47Å; C59-C121 HydrophobicContact CB-CB 3.71Å; C59-C121 WeakPolarHBondContact CB-SG 3.45Å; C59-C121 WeakPolarHBondContact SG-CB 3.33Å; C59-C121 PolarHBondContact SG-O 2.7Å; C59-C121 CovalentContact SG-SG 2.05Å; C59-C121 PolarHBondContact SG-SG 2.89Å; C59-I122 HydrophobicContact CB-CG1 4.26Å; C59-V125 WeakPolarHBondContact SG-CG2 3.3Å |
| 60 | S | 97 | Very high | 95.3 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -58.6 | -25.5 | 177.6 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | P57 I58 L62 L63 | P57-S60 WeakPolarHBondContact O-CB 3.26Å; P57-S60 PolarHBondContact O-N 3.16Å; P57-S60 PolarHBondContact O-OG 3.21Å; I58-S60 PolarHBondContact O-N 3.3Å; S60-L62 PolarHBondContact O-N 2.92Å; S60-L63 WeakPolarHBondContact O-CB 3.25Å; S60-L63 PolarHBondContact O-N 3.18Å; S60-L63 VanDerWaalsContact O-N 3.17Å |
| 61 | R | 97.1 | Very high | 95 | Very high | 30 Ų | 30 | 49 Ų | 49 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -67.4 | -22.2 | 176.6 | -63.6 | -179.1 | 63.3 | 121.2 | -10.6 | 112.7 | E14 S17 E21 I58 C59 L63 Q64 | E14-R61 HydrophobicContact CG-CB 4.09Å; E14-R61 WeakPolarHBondContact OE2-CB 3.38Å; E14-R61 IonicContact OE2-CZ 2.78Å; E14-R61 IonicContact OE2-NE 2.73Å; E14-R61 PolarHBondContact OE2-NE 3.33Å; E14-R61 IonicContact OE2-NH2 3.97Å; E14-R61 PolarHBondContact OE2-NH2 2.62Å; S17-R61 PolarHBondContact OG-NH2 3.16Å; E21-R61 IonicContact OE1-CZ 3.62Å; E21-R61 IonicContact OE1-NH1 3.33Å; E21-R61 PolarHBondContact OE1-NH1 3.44Å; E21-R61 VanDerWaalsContact OE1-NH1 3.14Å; E21-R61 IonicContact OE1-NH2 2.7Å; E21-R61 PolarHBondContact OE1-NH2 2.86Å; E21-R61 IonicContact OE2-CZ 3.62Å; E21-R61 IonicContact OE2-NH1 2.8Å; E21-R61 PolarHBondContact OE2-NH1 2.77Å; E21-R61 IonicContact OE2-NH2 3.9Å; I58-R61 WeakPolarHBondContact O-CB 3.16Å; I58-R61 PolarHBondContact O-N 3.14Å; I58-R61 VanDerWaalsContact O-N 3.14Å; C59-R61 PolarHBondContact O-N 3.05Å; C59-R61 VanDerWaalsContact O-N 3.09Å; R61-L63 PolarHBondContact O-N 3.49Å; R61-Q64 WeakPolarHBondContact O-CB 3.41Å; R61-Q64 WeakPolarHBondContact O-CG 3.23Å; R61-Q64 PolarHBondContact O-N 3.33Å; R61-Q64 VanDerWaalsContact O-N 3.09Å |
| 62 | L | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -64.3 | -25.9 | 174.9 | -80.5 | 57.6 | 0 | 0 | 0 | 111.6 | L10 E14 C59 S60 Q64 Y65 V114 L117 C121 | L10-L62 HydrophobicContact CB-CG 4.48Å; E14-L62 HydrophobicContact CG-CD1 4.14Å; C59-L62 WeakPolarHBondContact O-CB 3.5Å; C59-L62 PolarHBondContact O-N 3.45Å; S60-L62 PolarHBondContact O-N 2.92Å; L62-Q64 PolarHBondContact O-N 2.87Å; L62-Q64 VanDerWaalsContact O-N 3.15Å; L62-Y65 WeakPolarHBondContact O-CB 3.42Å; L62-Y65 PolarHBondContact O-N 3.2Å; L62-V114 VanDerWaalsContact O-CG1 3.23Å; L62-V114 WeakPolarHBondContact O-CG1 3.42Å; L62-L117 HydrophobicContact CD2-CB 4.23Å; L62-C121 HydrophobicContact CD2-CB 3.48Å; L62-C121 VanDerWaalsContact CD2-CB 3.48Å |
| 63 | L | 96 | Very high | 93.9 | Very high | 64 Ų | 64 | 58.4 Ų | 58.4 | 34% | 0.335 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -66 | -14.7 | 176.2 | -63.6 | 172.7 | 0 | 0 | 0 | 113.3 | S60 R61 Y65 P110 F118 | S60-L63 WeakPolarHBondContact O-CB 3.25Å; S60-L63 PolarHBondContact O-N 3.18Å; S60-L63 VanDerWaalsContact O-N 3.17Å; R61-L63 PolarHBondContact O-N 3.49Å; L63-Y65 VanDerWaalsContact C-N 3.3Å; L63-P110 HydrophobicContact CB-CG 4.37Å; L63-P110 HydrophobicContact CD2-CB 4.34Å; L63-P110 HydrophobicContact CD2-CG 4.24Å; L63-F118 HydrophobicContact CD1-CD2 4.38Å; L63-F118 HydrophobicContact CD1-CE2 4.49Å; L63-F118 HydrophobicContact CD1-CG 4.42Å; L63-F118 HydrophobicContact CD2-CB 3.76Å; L63-F118 HydrophobicContact CD2-CD1 4.09Å; L63-F118 HydrophobicContact CD2-CD2 4.44Å; L63-F118 HydrophobicContact CD2-CG 3.82Å; L63-F118 HydrophobicContact CG-CB 4.21Å; L63-F118 HydrophobicContact CG-CD2 4.13Å; L63-F118 HydrophobicContact CG-CG 4.01Å |
| 64 | Q | 94.8 | Very high | 93.3 | Very high | 102 Ų | 102 | 58.6 Ų | 58.6 | 48% | 0.477 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -80.7 | -13.2 | 174.9 | -56.6 | 175.1 | 17.5 | 0 | 0 | 112.5 | R61 L62 K79 | R61-Q64 WeakPolarHBondContact O-CB 3.41Å; R61-Q64 WeakPolarHBondContact O-CG 3.23Å; R61-Q64 PolarHBondContact O-N 3.33Å; R61-Q64 VanDerWaalsContact O-N 3.09Å; L62-Q64 PolarHBondContact O-N 2.87Å; L62-Q64 VanDerWaalsContact O-N 3.15Å; Q64-K79 HydrophobicContact CB-CD 4.22Å; Q64-K79 HydrophobicContact CB-CG 4.23Å |
| 65 | Y | 95.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | trans | -74.3 | 150.5 | 179.2 | -77.1 | -106.5 | 0 | 0 | 0 | 111.4 | L10 E14 L62 L63 F77 K79 V114 | L10-Y65 HydrophobicContact CD1-CD1 4.43Å; L10-Y65 HydrophobicContact CD1-CE1 4.36Å; L10-Y65 HydrophobicContact CD2-CD1 4.29Å; L10-Y65 HydrophobicContact CD2-CE1 3.5Å; L10-Y65 HydrophobicContact CG-CE1 4.49Å; E14-Y65 HydrophobicContact CG-CE2 4.31Å; E14-Y65 VanDerWaalsContact OE1-CE2 3.31Å; E14-Y65 WeakPolarHBondContact OE1-CE2 3.22Å; E14-Y65 PolarHBondContact OE1-OH 3.28Å; L62-Y65 WeakPolarHBondContact O-CB 3.42Å; L62-Y65 PolarHBondContact O-N 3.2Å; L63-Y65 VanDerWaalsContact C-N 3.3Å; Y65-F77 VanDerWaalsContact CD1-C 3.49Å; Y65-F77 HydrophobicContact CD1-CB 3.94Å; Y65-K79 HydrophobicContact CD2-CG 4.1Å; Y65-K79 HydrophobicContact CE2-CD 4.49Å; Y65-K79 HydrophobicContact CE2-CG 4.15Å; Y65-K79 HydrophobicContact CG-CG 4.35Å; Y65-V114 WeakPolarHBondContact O-CG2 3.47Å | ||
| 66 | K | 93.5 | Very high | 92.7 | Very high | 64 Ų | 64 | 54 Ų | 54 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.4 | 174.9 | -61.5 | -174.1 | 179.5 | -171.7 | 0 | 109.2 | R76 D78 P82 | K66-R76 VanDerWaalsContact O-O 3.08Å; K66-D78 PolarHBondContact N-O 2.96Å; K66-D78 PolarHBondContact O-N 2.49Å; K66-P82 HydrophobicContact CB-CG 3.96Å |
| 67 | V | 92.8 | Very high | 92.6 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 12% | 0.115 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 114.6 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | K69 R76 F77 P82 E113 V114 | V67-K69 HydrophobicContact CG1-CG 4.37Å; V67-K69 PolarHBondContact O-N 3.04Å; V67-R76 CarbonylContact C-O 3.47Å; V67-R76 WeakPolarHBondContact CA-O 3.05Å; V67-F77 HydrophobicContact CG2-CD1 4.14Å; V67-F77 HydrophobicContact CG2-CE1 3.71Å; V67-F77 HydrophobicContact CG2-CZ 4.46Å; V67-P82 WeakPolarHBondContact O-CG 3.3Å; V67-E113 HydrophobicContact CG2-CB 4.11Å; V67-V114 HydrophobicContact CG2-CG2 4.03Å |
| 68 | H | 92.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | trans | -86.8 | 88.6 | 172.7 | -69.7 | -104.3 | 0 | 0 | 0 | 109.8 | E70 R71 R76 D78 G80 P82 | H68-E70 VanDerWaalsContact CA-OE2 3.27Å; H68-E70 WeakPolarHBondContact CA-OE2 3.32Å; H68-E70 IonicContact CG-OE1 3.17Å; H68-E70 IonicContact ND1-OE1 2.81Å; H68-E70 PolarHBondContact ND1-OE1 3.42Å; H68-E70 PolarHBondContact O-N 3.4Å; H68-R71 HydrophobicContact CB-CB 4.46Å; H68-R71 HydrophobicContact CB-CG 4Å; H68-R71 PolarHBondContact ND1-NH2 3.02Å; H68-R71 PolarHBondContact O-N 2.81Å; H68-R76 HydrophobicContact CB-CB 4.47Å; H68-R76 WeakPolarHBondContact CB-O 3.47Å; H68-R76 PolarHBondContact CD2-O 3.17Å; H68-R76 PolarHBondContact N-O 3.15Å; H68-R76 WeakPolarHBondContact O-CB 3.33Å; H68-D78 IonicContact NE2-OD1 2.7Å; H68-G80 PolarHBondContact NE2-O 3.35Å; H68-G80 VanDerWaalsContact NE2-O 3.16Å; H68-P82 VanDerWaalsContact CE1-CA 3.47Å; H68-P82 WeakPolarHBondContact CE1-CA 3.31Å; H68-P82 WeakPolarHBondContact ND1-CA 3.33Å | ||
| 69 | K | 88.3 | Confident | 92.3 | Very high | 164 Ų | 164 | 51.5 Ų | 51.5 | 71% | 0.713 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19 | -178.4 | -66 | -174 | 178.1 | -178.2 | 0 | 113.6 | V67 R71 | V67-K69 HydrophobicContact CG1-CG 4.37Å; V67-K69 PolarHBondContact O-N 3.04Å; K69-R71 PolarHBondContact O-N 3.34Å |
| 70 | E | 89.5 | Confident | 92 | Very high | 62 Ų | 62 | 52.5 Ų | 52.5 | 29% | 0.29 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.7 | 174.2 | 71.9 | -82 | -163.9 | 0 | 0 | 113.9 | H68 Q83 | H68-E70 VanDerWaalsContact CA-OE2 3.27Å; H68-E70 WeakPolarHBondContact CA-OE2 3.32Å; H68-E70 IonicContact CG-OE1 3.17Å; H68-E70 IonicContact ND1-OE1 2.81Å; H68-E70 PolarHBondContact ND1-OE1 3.42Å; H68-E70 PolarHBondContact O-N 3.4Å; E70-Q83 HydrophobicContact CG-CB 4.34Å; E70-Q83 HydrophobicContact CG-CG 4.37Å; E70-Q83 PolarHBondContact OE1-N 3.29Å |
| 71 | R | 90.7 | Very high | 91.7 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 25% | 0.245 | 26% | 0.261 | C | S | . | . | trans | -112.2 | 146.2 | -179.1 | -48.5 | -176.8 | -167.1 | 162.2 | -2.1 | 110.4 | H68 K69 S75 R76 | H68-R71 HydrophobicContact CB-CB 4.46Å; H68-R71 HydrophobicContact CB-CG 4Å; H68-R71 PolarHBondContact ND1-NH2 3.02Å; H68-R71 PolarHBondContact O-N 2.81Å; K69-R71 PolarHBondContact O-N 3.34Å; R71-S75 WeakPolarHBondContact CD-O 3.33Å; R71-S75 VanDerWaalsContact CD-OG 3.25Å; R71-S75 WeakPolarHBondContact CD-OG 3.5Å; R71-S75 PolarHBondContact NH1-O 2.95Å; R71-R76 HydrophobicContact CB-CB 3.86Å | ||
| 72 | Q | 84.4 | Confident | 91.4 | Very high | 177 Ų | 177 | 52.9 Ų | 52.9 | 83% | 0.827 | 26% | 0.259 | S | S | * | . | trans | -109.8 | -13.5 | -177.1 | -61.7 | -61 | -34.9 | 0 | 0 | 113.6 | ||||
| 73 | D | 86 | Confident | 91.1 | Very high | 76 Ų | 76 | 58.6 Ų | 58.6 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -95.7 | -172.7 | -178.2 | 65 | -5.2 | 0 | 0 | 0 | 111.9 | S75 R76 | D73-S75 PolarHBondContact O-N 3.21Å; D73-S75 VanDerWaalsContact OD1-CB 3.31Å; D73-S75 WeakPolarHBondContact OD1-CB 3.36Å; D73-S75 PolarHBondContact OD1-N 3.35Å; D73-S75 PolarHBondContact OD1-OG 3.35Å; D73-S75 PolarHBondContact OD2-OG 3.09Å; D73-R76 WeakPolarHBondContact O-CB 3.06Å; D73-R76 PolarHBondContact O-N 3.48Å; D73-R76 VanDerWaalsContact O-N 3.07Å |
| 74 | S | 84.3 | Confident | 90.7 | Very high | 16 Ų | 16 | 59 Ų | 59 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -61.9 | -24.5 | 179.1 | 72.2 | 0 | 0 | 0 | 0 | 113 | K9 R76 F77 E164 | K9-S74 PolarHBondContact NZ-OG 2.97Å; S74-R76 PolarHBondContact O-N 3.46Å; S74-F77 PolarHBondContact O-N 3.27Å; S74-F77 VanDerWaalsContact O-N 3.14Å; S74-E164 WeakPolarHBondContact CB-OE2 3.36Å; S74-E164 PolarHBondContact N-OE2 3.36Å; S74-E164 PolarHBondContact OG-OE2 3.09Å |
| 75 | S | 88.1 | Confident | 90.3 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -65.6 | -7.1 | 176.9 | 87.2 | 0 | 0 | 0 | 0 | 113.1 | R71 D73 F77 | R71-S75 WeakPolarHBondContact CD-O 3.33Å; R71-S75 VanDerWaalsContact CD-OG 3.25Å; R71-S75 WeakPolarHBondContact CD-OG 3.5Å; R71-S75 PolarHBondContact NH1-O 2.95Å; D73-S75 PolarHBondContact O-N 3.21Å; D73-S75 VanDerWaalsContact OD1-CB 3.31Å; D73-S75 WeakPolarHBondContact OD1-CB 3.36Å; D73-S75 PolarHBondContact OD1-N 3.35Å; D73-S75 PolarHBondContact OD1-OG 3.35Å; D73-S75 PolarHBondContact OD2-OG 3.09Å; S75-F77 PolarHBondContact O-N 3.43Å |
| 76 | R | 91.9 | Very high | 90 | Very high | 70 Ų | 70 | 60.6 Ų | 60.6 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -64.2 | -22.9 | 171.1 | 92.7 | 176.3 | 167.9 | 119.2 | 3.9 | 113.2 | K66 V67 H68 R71 D73 S74 E113 | K66-R76 VanDerWaalsContact O-O 3.08Å; V67-R76 CarbonylContact C-O 3.47Å; V67-R76 WeakPolarHBondContact CA-O 3.05Å; H68-R76 HydrophobicContact CB-CB 4.47Å; H68-R76 WeakPolarHBondContact CB-O 3.47Å; H68-R76 PolarHBondContact CD2-O 3.17Å; H68-R76 PolarHBondContact N-O 3.15Å; H68-R76 WeakPolarHBondContact O-CB 3.33Å; R71-R76 HydrophobicContact CB-CB 3.86Å; D73-R76 WeakPolarHBondContact O-CB 3.06Å; D73-R76 PolarHBondContact O-N 3.48Å; D73-R76 VanDerWaalsContact O-N 3.07Å; S74-R76 PolarHBondContact O-N 3.46Å; R76-E113 IonicContact CZ-OE2 3.14Å; R76-E113 IonicContact NH1-OE1 3.76Å; R76-E113 IonicContact NH1-OE2 2.89Å; R76-E113 PolarHBondContact NH1-OE2 3.38Å; R76-E113 IonicContact NH2-OE2 2.73Å; R76-E113 PolarHBondContact NH2-OE2 3.39Å |
| 77 | F | 93.9 | Very high | 89.8 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 6% | 0.057 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 104.6 | 171.4 | -65.1 | -85.3 | 0 | 0 | 0 | 108.2 | L6 L10 Y65 V67 S74 S75 E113 L117 | L6-F77 HydrophobicContact CD1-CD2 3.96Å; L6-F77 HydrophobicContact CD2-CD2 3.37Å; L6-F77 HydrophobicContact CD2-CE2 3.16Å; L6-F77 HydrophobicContact CD2-CG 4.18Å; L6-F77 HydrophobicContact CD2-CZ 3.82Å; L6-F77 HydrophobicContact CG-CD2 4.25Å; L6-F77 HydrophobicContact CG-CE2 4.43Å; L10-F77 HydrophobicContact CD1-CB 4.28Å; Y65-F77 VanDerWaalsContact CD1-C 3.49Å; Y65-F77 HydrophobicContact CD1-CB 3.94Å; V67-F77 HydrophobicContact CG2-CD1 4.14Å; V67-F77 HydrophobicContact CG2-CE1 3.71Å; V67-F77 HydrophobicContact CG2-CZ 4.46Å; S74-F77 PolarHBondContact O-N 3.27Å; S74-F77 VanDerWaalsContact O-N 3.14Å; S75-F77 PolarHBondContact O-N 3.43Å; F77-E113 HydrophobicContact CE1-CB 4.32Å; F77-L117 HydrophobicContact CD1-CD1 3.35Å; F77-L117 HydrophobicContact CE1-CD1 3.3Å; F77-L117 HydrophobicContact CE1-CG 4.33Å; F77-L117 HydrophobicContact CG-CD1 4Å; F77-L117 HydrophobicContact CZ-CD1 3.93Å |
| 78 | D | 93.7 | Very high | 89.5 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 154.5 | 178.5 | -176.5 | -110.4 | 0 | 0 | 0 | 110.4 | K66 H68 G80 P167 N168 | K66-D78 PolarHBondContact N-O 2.96Å; K66-D78 PolarHBondContact O-N 2.49Å; H68-D78 IonicContact NE2-OD1 2.7Å; D78-G80 VanDerWaalsContact C-N 3.26Å; D78-G80 PolarHBondContact O-N 3.47Å; D78-G80 WeakPolarHBondContact OD1-CA 3.33Å; D78-G80 PolarHBondContact OD1-N 3.34Å; D78-P167 WeakPolarHBondContact OD2-CG 3.32Å; D78-N168 PolarHBondContact OD2-ND2 3.01Å |
| 79 | K | 93.8 | Very high | 89.2 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -76.4 | -15.8 | 179.9 | -64.5 | -178.4 | -177.5 | 175.7 | 0 | 112.8 | E14 Q64 Y65 | E14-K79 WeakPolarHBondContact OE1-CE 3.38Å; E14-K79 IonicContact OE1-NZ 4Å; E14-K79 PolarHBondContact OE1-NZ 3.35Å; E14-K79 IonicContact OE2-NZ 3.57Å; E14-K79 PolarHBondContact OE2-NZ 2.88Å; Q64-K79 HydrophobicContact CB-CD 4.22Å; Q64-K79 HydrophobicContact CB-CG 4.23Å; Y65-K79 HydrophobicContact CD2-CG 4.1Å; Y65-K79 HydrophobicContact CE2-CD 4.49Å; Y65-K79 HydrophobicContact CE2-CG 4.15Å; Y65-K79 HydrophobicContact CG-CG 4.35Å |
| 80 | G | 92.1 | Very high | 89.2 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -67.2 | 164.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H68 D78 P82 | H68-G80 PolarHBondContact NE2-O 3.35Å; H68-G80 VanDerWaalsContact NE2-O 3.16Å; D78-G80 VanDerWaalsContact C-N 3.26Å; D78-G80 PolarHBondContact O-N 3.47Å; D78-G80 WeakPolarHBondContact OD1-CA 3.33Å; D78-G80 PolarHBondContact OD1-N 3.34Å; G80-P82 WeakPolarHBondContact O-CD 3.38Å |
| 81 | T | 89.6 | Confident | 89.2 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 126.1 | 174.8 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | M85 K86 | T81-M85 HydrophobicContact CG2-CB 4.13Å; T81-K86 HydrophobicContact CG2-CG 3.67Å; T81-K86 WeakPolarHBondContact O-CE 3.41Å |
| 82 | P | 91.2 | Very high | 89 | Confident | 13 Ų | 13 | 60 Ų | 60 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 145.4 | 175.3 | -26.8 | 35.6 | 0 | 0 | 0 | 113.5 | K66 V67 H68 G80 T84 M85 K86 | K66-P82 HydrophobicContact CB-CG 3.96Å; V67-P82 WeakPolarHBondContact O-CG 3.3Å; H68-P82 VanDerWaalsContact CE1-CA 3.47Å; H68-P82 WeakPolarHBondContact CE1-CA 3.31Å; H68-P82 WeakPolarHBondContact ND1-CA 3.33Å; G80-P82 WeakPolarHBondContact O-CD 3.38Å; P82-T84 VanDerWaalsContact C-N 3.35Å; P82-T84 PolarHBondContact O-N 2.96Å; P82-M85 HydrophobicContact CB-CB 4.07Å; P82-M85 HydrophobicContact CG-CB 4.44Å; P82-M85 WeakPolarHBondContact O-CB 3.44Å; P82-M85 PolarHBondContact O-N 3.29Å; P82-K86 PolarHBondContact O-N 3.3Å |
| 83 | Q | 90.9 | Very high | 89.2 | Confident | 121 Ų | 121 | 57.5 Ų | 57.5 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | -179.1 | -70.1 | -177.9 | -2 | 0 | 0 | 111.7 | E70 M85 K86 S87 | E70-Q83 HydrophobicContact CG-CB 4.34Å; E70-Q83 HydrophobicContact CG-CG 4.37Å; E70-Q83 PolarHBondContact OE1-N 3.29Å; Q83-M85 PolarHBondContact O-N 3.03Å; Q83-K86 WeakPolarHBondContact O-CB 3.36Å; Q83-K86 PolarHBondContact O-N 2.81Å; Q83-K86 VanDerWaalsContact O-N 3.17Å; Q83-S87 PolarHBondContact O-N 3.44Å; Q83-S87 PolarHBondContact O-OG 2.94Å |
| 84 | T | 86.5 | Confident | 89.5 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.3 | -40.2 | 175 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | P82 S87 L88 | P82-T84 VanDerWaalsContact C-N 3.35Å; P82-T84 PolarHBondContact O-N 2.96Å; T84-S87 PolarHBondContact O-N 3.13Å; T84-L88 HydrophobicContact CG2-CD1 4.06Å; T84-L88 HydrophobicContact CG2-CG 4.5Å; T84-L88 VanDerWaalsContact O-CG 3.25Å; T84-L88 WeakPolarHBondContact O-CG 3.06Å; T84-L88 PolarHBondContact O-N 2.05Å |
| 85 | M | 87.8 | Confident | 89.6 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 22% | 0.217 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.4 | -41 | -179.1 | -156.1 | 62.9 | 173.2 | 0 | 0 | 112.2 | T81 P82 Q83 S87 L88 T89 W107 | T81-M85 HydrophobicContact CG2-CB 4.13Å; P82-M85 HydrophobicContact CB-CB 4.07Å; P82-M85 HydrophobicContact CG-CB 4.44Å; P82-M85 WeakPolarHBondContact O-CB 3.44Å; P82-M85 PolarHBondContact O-N 3.29Å; Q83-M85 PolarHBondContact O-N 3.03Å; M85-S87 VanDerWaalsContact C-N 3.34Å; M85-S87 PolarHBondContact O-N 2.79Å; M85-L88 PolarHBondContact O-N 3.43Å; M85-L88 HydrophobicContact SD-CD1 4.31Å; M85-T89 PolarHBondContact O-N 2.88Å; M85-T89 PolarHBondContact O-OG1 2.98Å; M85-T89 VanDerWaalsContact O-OG1 3.05Å; M85-W107 HydrophobicContact CE-CB 3.27Å; M85-W107 HydrophobicContact CE-CD2 3.4Å; M85-W107 HydrophobicContact CE-CE3 3.27Å; M85-W107 HydrophobicContact CE-CG 3.42Å; M85-W107 VanDerWaalsContact CE-CG 3.42Å; M85-W107 HydrophobicContact CE-CZ3 4.22Å; M85-W107 HydrophobicContact SD-CE3 4.22Å |
| 86 | K | 89.1 | Confident | 89.6 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 47% | 0.465 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 172.8 | -66.7 | -179.5 | -178 | 179.9 | 0 | 111.1 | T81 P82 Q83 L88 T89 E90 | T81-K86 HydrophobicContact CG2-CG 3.67Å; T81-K86 WeakPolarHBondContact O-CE 3.41Å; P82-K86 PolarHBondContact O-N 3.3Å; Q83-K86 WeakPolarHBondContact O-CB 3.36Å; Q83-K86 PolarHBondContact O-N 2.81Å; Q83-K86 VanDerWaalsContact O-N 3.17Å; K86-L88 VanDerWaalsContact C-N 3.35Å; K86-L88 PolarHBondContact O-N 3.24Å; K86-T89 PolarHBondContact O-N 2.92Å; K86-E90 WeakPolarHBondContact O-CB 3.38Å; K86-E90 WeakPolarHBondContact O-CG 3.44Å; K86-E90 PolarHBondContact O-N 2.58Å |
| 87 | S | 88.3 | Confident | 89.2 | Confident | 65 Ų | 65 | 70 Ų | 70 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 178.9 | -58 | 0 | 0 | 0 | 0 | 112.7 | Q83 T84 M85 E90 L91 | Q83-S87 PolarHBondContact O-N 3.44Å; Q83-S87 PolarHBondContact O-OG 2.94Å; T84-S87 PolarHBondContact O-N 3.13Å; M85-S87 VanDerWaalsContact C-N 3.34Å; M85-S87 PolarHBondContact O-N 2.79Å; S87-E90 PolarHBondContact O-N 2.89Å; S87-L91 WeakPolarHBondContact O-CG 3.25Å; S87-L91 PolarHBondContact O-N 3.05Å |
| 88 | L | 86.1 | Confident | 88.5 | Confident | 37 Ų | 37 | 71 Ų | 71 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.1 | -47.8 | 177.1 | -71.5 | 168.6 | 0 | 0 | 0 | 111.7 | T84 M85 K86 E90 L91 V92 V98 L100 W107 | T84-L88 HydrophobicContact CG2-CD1 4.06Å; T84-L88 HydrophobicContact CG2-CG 4.5Å; T84-L88 VanDerWaalsContact O-CG 3.25Å; T84-L88 WeakPolarHBondContact O-CG 3.06Å; T84-L88 PolarHBondContact O-N 2.05Å; M85-L88 PolarHBondContact O-N 3.43Å; M85-L88 HydrophobicContact SD-CD1 4.31Å; K86-L88 VanDerWaalsContact C-N 3.35Å; K86-L88 PolarHBondContact O-N 3.24Å; L88-E90 VanDerWaalsContact C-N 3.31Å; L88-E90 PolarHBondContact O-N 2.95Å; L88-L91 PolarHBondContact O-N 3.22Å; L88-V92 WeakPolarHBondContact O-CG2 3.49Å; L88-V92 PolarHBondContact O-N 3.49Å; L88-V98 HydrophobicContact CD2-CG1 3.85Å; L88-L100 HydrophobicContact CD1-CD1 4.18Å; L88-W107 HydrophobicContact CB-CH2 4.05Å; L88-W107 HydrophobicContact CB-CZ3 3.94Å |
| 89 | T | 86.1 | Confident | 87.8 | Confident | 45 Ų | 45 | 78.6 Ų | 78.6 | 28% | 0.276 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | M85 K86 L91 V92 N93 | M85-T89 PolarHBondContact O-N 2.88Å; M85-T89 PolarHBondContact O-OG1 2.98Å; M85-T89 VanDerWaalsContact O-OG1 3.05Å; K86-T89 PolarHBondContact O-N 2.92Å; T89-L91 PolarHBondContact O-N 3.48Å; T89-V92 PolarHBondContact O-N 3.06Å; T89-N93 WeakPolarHBondContact O-CB 3.4Å; T89-N93 PolarHBondContact O-N 2.97Å; T89-N93 PolarHBondContact O-ND2 3.25Å |
| 90 | E | 89.3 | Confident | 87 | Confident | 100 Ų | 100 | 79.5 Ų | 79.5 | 47% | 0.467 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175 | -78 | 178.3 | -154.2 | 0 | 0 | 113 | K86 S87 L88 N93 R94 | K86-E90 WeakPolarHBondContact O-CB 3.38Å; K86-E90 WeakPolarHBondContact O-CG 3.44Å; K86-E90 PolarHBondContact O-N 2.58Å; S87-E90 PolarHBondContact O-N 2.89Å; L88-E90 VanDerWaalsContact C-N 3.31Å; L88-E90 PolarHBondContact O-N 2.95Å; E90-N93 PolarHBondContact O-N 3.09Å; E90-R94 VanDerWaalsContact O-CG 3.26Å; E90-R94 WeakPolarHBondContact O-CG 3.3Å; E90-R94 PolarHBondContact O-N 2.73Å; E90-R94 VanDerWaalsContact O-N 3.1Å; E90-R94 IonicContact OE2-NH2 2.78Å |
| 91 | L | 89.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 86.4 Ų | 86.4 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66 | -47.1 | 176.4 | -72.9 | 168.9 | 0 | 0 | 0 | 111.4 | S87 L88 T89 N93 R94 G95 V96 V98 | S87-L91 WeakPolarHBondContact O-CG 3.25Å; S87-L91 PolarHBondContact O-N 3.05Å; L88-L91 PolarHBondContact O-N 3.22Å; T89-L91 PolarHBondContact O-N 3.48Å; L91-N93 VanDerWaalsContact C-N 3.3Å; L91-N93 PolarHBondContact O-N 3.27Å; L91-R94 WeakPolarHBondContact O-CB 3.41Å; L91-R94 PolarHBondContact O-N 2.8Å; L91-G95 PolarHBondContact O-N 2.77Å; L91-V96 HydrophobicContact CB-CB 4.16Å; L91-V96 HydrophobicContact CB-CG2 4.44Å; L91-V96 HydrophobicContact CD2-CG2 4.15Å; L91-V96 VanDerWaalsContact O-CB 3.29Å; L91-V96 WeakPolarHBondContact O-CB 3.46Å; L91-V96 PolarHBondContact O-N 3.14Å; L91-V98 HydrophobicContact CB-CG2 3.93Å |
| 92 | V | 87.2 | Confident | 86 | Confident | 46 Ų | 46 | 87 Ų | 87 | 28% | 0.279 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58 | -43.8 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L88 T89 R94 G95 V98 W107 | L88-V92 WeakPolarHBondContact O-CG2 3.49Å; L88-V92 PolarHBondContact O-N 3.49Å; T89-V92 PolarHBondContact O-N 3.06Å; V92-R94 PolarHBondContact O-N 3.26Å; V92-G95 WeakPolarHBondContact O-CA 3.07Å; V92-G95 PolarHBondContact O-N 2.98Å; V92-V98 HydrophobicContact CG2-CB 3.85Å; V92-V98 HydrophobicContact CG2-CG2 3.72Å; V92-W107 HydrophobicContact CG2-CH2 3.92Å; V92-W107 HydrophobicContact CG2-CZ3 4.32Å |
| 93 | N | 87.5 | Confident | 85.5 | Confident | 125 Ų | 125 | 89.9 Ų | 89.9 | 67% | 0.668 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.9 | -25.5 | 177.4 | -72.5 | -16.4 | 0 | 0 | 0 | 113.5 | T89 E90 L91 G95 | T89-N93 WeakPolarHBondContact O-CB 3.4Å; T89-N93 PolarHBondContact O-N 2.97Å; T89-N93 PolarHBondContact O-ND2 3.25Å; E90-N93 PolarHBondContact O-N 3.09Å; L91-N93 VanDerWaalsContact C-N 3.3Å; L91-N93 PolarHBondContact O-N 3.27Å; N93-G95 PolarHBondContact O-N 3.07Å |
| 94 | R | 92.8 | Very high | 84.8 | Confident | 183 Ų | 183 | 90.1 Ų | 90.1 | 69% | 0.691 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 4.9 | 172.6 | -69 | 172.4 | -167.5 | -177 | 9.7 | 112.8 | E90 L91 V92 V96 | E90-R94 VanDerWaalsContact O-CG 3.26Å; E90-R94 WeakPolarHBondContact O-CG 3.3Å; E90-R94 PolarHBondContact O-N 2.73Å; E90-R94 VanDerWaalsContact O-N 3.1Å; E90-R94 IonicContact OE2-NH2 2.78Å; L91-R94 WeakPolarHBondContact O-CB 3.41Å; L91-R94 PolarHBondContact O-N 2.8Å; V92-R94 PolarHBondContact O-N 3.26Å; R94-V96 VanDerWaalsContact C-N 3.33Å |
| 95 | G | 86.8 | Confident | 84.5 | Confident | 69 Ų | 69 | 94.7 Ų | 94.7 | 71% | 0.711 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 13.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L91 V92 N93 D97 | L91-G95 PolarHBondContact O-N 2.77Å; V92-G95 WeakPolarHBondContact O-CA 3.07Å; V92-G95 PolarHBondContact O-N 2.98Å; N93-G95 PolarHBondContact O-N 3.07Å; G95-D97 PolarHBondContact O-N 2.62Å |
| 96 | V | 87.7 | Confident | 84.2 | Confident | 70 Ų | 70 | 96.9 Ų | 96.9 | 42% | 0.424 | 51% | 0.51 | S | S | . | . | trans | -73.4 | 123.7 | 172.4 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | L91 R94 V98 | L91-V96 HydrophobicContact CB-CB 4.16Å; L91-V96 HydrophobicContact CB-CG2 4.44Å; L91-V96 HydrophobicContact CD2-CG2 4.15Å; L91-V96 VanDerWaalsContact O-CB 3.29Å; L91-V96 WeakPolarHBondContact O-CB 3.46Å; L91-V96 PolarHBondContact O-N 3.14Å; R94-V96 VanDerWaalsContact C-N 3.33Å; V96-V98 VanDerWaalsContact C-N 3.35Å; V96-V98 HydrophobicContact CB-CG2 4.48Å; V96-V98 HydrophobicContact CG1-CG2 4.19Å; V96-V98 PolarHBondContact O-N 2.87Å | ||
| 97 | D | 82.3 | Confident | 83.8 | Confident | 125 Ų | 125 | 93.4 Ų | 93.4 | 67% | 0.668 | 49% | 0.494 | S | S | * | . | trans | -71.1 | 88.7 | 173.6 | -177.7 | 30.9 | 0 | 0 | 0 | 110 | G95 K99 | G95-D97 PolarHBondContact O-N 2.62Å; D97-K99 PolarHBondContact O-N 3.19Å; D97-K99 WeakPolarHBondContact OD2-CE 3.21Å | ||
| 98 | V | 79.9 | Confident | 83.4 | Confident | 33 Ų | 33 | 96.4 Ų | 96.4 | 20% | 0.2 | 51% | 0.505 | C | S | . | . | trans | -83.2 | 102.9 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | L88 L91 V92 V96 L100 | L88-V98 HydrophobicContact CD2-CG1 3.85Å; L91-V98 HydrophobicContact CB-CG2 3.93Å; V92-V98 HydrophobicContact CG2-CB 3.85Å; V92-V98 HydrophobicContact CG2-CG2 3.72Å; V96-V98 VanDerWaalsContact C-N 3.35Å; V96-V98 HydrophobicContact CB-CG2 4.48Å; V96-V98 HydrophobicContact CG1-CG2 4.19Å; V96-V98 PolarHBondContact O-N 2.87Å; V98-L100 HydrophobicContact CG1-CD2 3.97Å; V98-L100 HydrophobicContact CG1-CG 3.94Å; V98-L100 PolarHBondContact O-N 3.11Å | ||
| 99 | K | 79.3 | Confident | 83.5 | Confident | 176 Ų | 176 | 101.4 Ų | 101.4 | 77% | 0.765 | 53% | 0.525 | S | S | * | . | trans | -81 | 101.3 | 173.5 | -64 | -174.3 | -179.3 | -179.3 | 0 | 110.1 | D97 | D97-K99 PolarHBondContact O-N 3.19Å; D97-K99 WeakPolarHBondContact OD2-CE 3.21Å | ||
| 100 | L | 76.9 | Confident | 83.7 | Confident | 78 Ų | 78 | 101.7 Ų | 101.7 | 41% | 0.408 | 53% | 0.528 | S | S | . | . | trans | -105.1 | 154.1 | 166.2 | -60.9 | -169.5 | 0 | 0 | 0 | 110.3 | L88 V98 V102 W107 | L88-L100 HydrophobicContact CD1-CD1 4.18Å; V98-L100 HydrophobicContact CG1-CD2 3.97Å; V98-L100 HydrophobicContact CG1-CG 3.94Å; V98-L100 PolarHBondContact O-N 3.11Å; L100-V102 PolarHBondContact O-N 3.32Å; L100-V102 VanDerWaalsContact O-N 3.17Å; L100-W107 HydrophobicContact CB-CZ2 4.37Å; L100-W107 HydrophobicContact CD1-CH2 3.84Å; L100-W107 HydrophobicContact CD1-CZ2 3.12Å; L100-W107 HydrophobicContact CG-CZ2 3.76Å | ||
| 101 | D | 81.5 | Confident | 83.7 | Confident | 174 Ų | 174 | 99.1 Ų | 99.1 | 93% | 0.93 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -67.6 | -9.6 | 171.8 | -59.1 | -38.6 | 0 | 0 | 0 | 112.7 | ||
| 102 | V | 80.3 | Confident | 83.9 | Confident | 73 Ų | 73 | 101.2 Ų | 101.2 | 44% | 0.442 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -113.3 | 121.9 | -178.9 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | L100 L106 W107 | L100-V102 PolarHBondContact O-N 3.32Å; L100-V102 VanDerWaalsContact O-N 3.17Å; V102-L106 HydrophobicContact CG1-CB 3.74Å; V102-L106 HydrophobicContact CG1-CD1 4.5Å; V102-W107 PolarHBondContact O-NE1 3.47Å |
| 103 | P | 80.1 | Confident | 84.2 | Confident | 74 Ų | 74 | 102.7 Ų | 102.7 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | trans | -54.8 | 145.8 | 174.7 | -25.5 | 31.9 | 0 | 0 | 0 | 113.4 | E105 L106 | P103-E105 PolarHBondContact O-N 2.92Å; P103-L106 HydrophobicContact CG-CD1 4.36Å; P103-L106 PolarHBondContact O-N 3.11Å | ||
| 104 | F | 76.8 | Confident | 84.5 | Confident | 126 Ų | 126 | 96.8 Ų | 96.8 | 55% | 0.553 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -54 | -37.6 | -179 | -178 | -99.3 | 0 | 0 | 0 | 113.3 | L106 W107 | F104-L106 PolarHBondContact O-N 2.89Å; F104-L106 VanDerWaalsContact O-N 3.13Å; F104-W107 HydrophobicContact CD2-CD2 4.06Å; F104-W107 AromaticContact CD2-CE3 3.95Å; F104-W107 HydrophobicContact CD2-CE3 3.95Å; F104-W107 HydrophobicContact CD2-CZ3 4.3Å; F104-W107 HydrophobicContact CE2-CE3 4.13Å; F104-W107 HydrophobicContact CE2-CZ3 4.45Å; F104-W107 WeakPolarHBondContact O-CB 3.47Å; F104-W107 PolarHBondContact O-N 2.87Å |
| 105 | E | 79.1 | Confident | 84.7 | Confident | 168 Ų | 168 | 90.1 Ų | 90.1 | 79% | 0.785 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -62.8 | -21.1 | 178.8 | -63.8 | 161.2 | -172.2 | 0 | 0 | 113.6 | P103 | P103-E105 PolarHBondContact O-N 2.92Š|
| 106 | L | 81.3 | Confident | 85.1 | Confident | 89 Ų | 89 | 89.3 Ų | 89.3 | 47% | 0.466 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -95.5 | -2.8 | 179.4 | -60.1 | -176.9 | 0 | 0 | 0 | 112.9 | V102 P103 F104 D108 K109 | V102-L106 HydrophobicContact CG1-CB 3.74Å; V102-L106 HydrophobicContact CG1-CD1 4.5Å; P103-L106 HydrophobicContact CG-CD1 4.36Å; P103-L106 PolarHBondContact O-N 3.11Å; F104-L106 PolarHBondContact O-N 2.89Å; F104-L106 VanDerWaalsContact O-N 3.13Å; L106-D108 VanDerWaalsContact C-N 3.27Å; L106-D108 PolarHBondContact O-N 3.24Å; L106-K109 HydrophobicContact CB-CG 4.49Å; L106-K109 HydrophobicContact CD2-CG 3.94Å; L106-K109 WeakPolarHBondContact O-CB 3.38Å; L106-K109 PolarHBondContact O-N 3.21Å; L106-K109 VanDerWaalsContact O-N 3.11Å |
| 107 | W | 80.9 | Confident | 85.4 | Confident | 34 Ų | 34 | 86.1 Ų | 86.1 | 13% | 0.129 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -29.1 | -177.5 | -80 | 27 | 0 | 0 | 0 | 113.4 | M85 L88 V92 L100 V102 F104 | M85-W107 HydrophobicContact CE-CB 3.27Å; M85-W107 HydrophobicContact CE-CD2 3.4Å; M85-W107 HydrophobicContact CE-CE3 3.27Å; M85-W107 HydrophobicContact CE-CG 3.42Å; M85-W107 VanDerWaalsContact CE-CG 3.42Å; M85-W107 HydrophobicContact CE-CZ3 4.22Å; M85-W107 HydrophobicContact SD-CE3 4.22Å; L88-W107 HydrophobicContact CB-CH2 4.05Å; L88-W107 HydrophobicContact CB-CZ3 3.94Å; V92-W107 HydrophobicContact CG2-CH2 3.92Å; V92-W107 HydrophobicContact CG2-CZ3 4.32Å; L100-W107 HydrophobicContact CB-CZ2 4.37Å; L100-W107 HydrophobicContact CD1-CH2 3.84Å; L100-W107 HydrophobicContact CD1-CZ2 3.12Å; L100-W107 HydrophobicContact CG-CZ2 3.76Å; V102-W107 PolarHBondContact O-NE1 3.47Å; F104-W107 HydrophobicContact CD2-CD2 4.06Å; F104-W107 AromaticContact CD2-CE3 3.95Å; F104-W107 HydrophobicContact CD2-CE3 3.95Å; F104-W107 HydrophobicContact CD2-CZ3 4.3Å; F104-W107 HydrophobicContact CE2-CE3 4.13Å; F104-W107 HydrophobicContact CE2-CZ3 4.45Å; F104-W107 WeakPolarHBondContact O-CB 3.47Å; F104-W107 PolarHBondContact O-N 2.87Å |
| 108 | D | 80.9 | Confident | 86.1 | Confident | 128 Ų | 128 | 82.9 Ų | 82.9 | 68% | 0.684 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -0.9 | 175.9 | -71.4 | -43.5 | 0 | 0 | 0 | 113.4 | L106 | L106-D108 VanDerWaalsContact C-N 3.27Å; L106-D108 PolarHBondContact O-N 3.24Å |
| 109 | K | 86.8 | Confident | 87 | Confident | 142 Ų | 142 | 88 Ų | 88 | 62% | 0.617 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -78.9 | 145.3 | 178.3 | -63.3 | -64.9 | -176.9 | -175.4 | 0 | 110.8 | L106 S111 | L106-K109 HydrophobicContact CB-CG 4.49Å; L106-K109 HydrophobicContact CD2-CG 3.94Å; L106-K109 WeakPolarHBondContact O-CB 3.38Å; L106-K109 PolarHBondContact O-N 3.21Å; L106-K109 VanDerWaalsContact O-N 3.11Å; K109-S111 PolarHBondContact O-N 3.44Å |
| 110 | P | 89.9 | Confident | 87.8 | Confident | 52 Ų | 52 | 82.9 Ų | 82.9 | 34% | 0.338 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -56 | 138 | 173.8 | -23.5 | 33.3 | 0 | 0 | 0 | 111.2 | L63 V114 T115 | L63-P110 HydrophobicContact CB-CG 4.37Å; L63-P110 HydrophobicContact CD2-CB 4.34Å; L63-P110 HydrophobicContact CD2-CG 4.24Å; P110-V114 HydrophobicContact CB-CB 4.23Å; P110-V114 HydrophobicContact CB-CG1 3.94Å; P110-T115 HydrophobicContact CB-CG2 3.99Å |
| 111 | S | 91.3 | Very high | 88.7 | Confident | 45 Ų | 45 | 79.2 Ų | 79.2 | 32% | 0.315 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 164 | 176.8 | 72 | 0 | 0 | 0 | 0 | 111.4 | K109 E113 V114 T115 | K109-S111 PolarHBondContact O-N 3.44Å; S111-E113 PolarHBondContact O-N 3.15Å; S111-V114 PolarHBondContact O-N 2.93Å; S111-V114 WeakPolarHBondContact OG-CG2 3.4Å; S111-V114 PolarHBondContact OG-N 3.5Å; S111-T115 WeakPolarHBondContact O-CG2 3.5Å; S111-T115 PolarHBondContact O-N 2.78Å; S111-T115 PolarHBondContact O-OG1 2.8Å |
| 112 | V | 92.1 | Very high | 89.4 | Confident | 115 Ų | 115 | 74.6 Ų | 74.6 | 70% | 0.697 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -52.9 | -45.6 | 174.6 | 177 | 0 | 0 | 0 | 0 | 110.8 | V114 T115 T116 | V112-V114 VanDerWaalsContact C-N 3.33Å; V112-V114 PolarHBondContact O-N 2.86Å; V112-T115 WeakPolarHBondContact CA-OG1 3.32Å; V112-T115 PolarHBondContact O-N 3.39Å; V112-T115 PolarHBondContact O-OG1 3.33Å; V112-T116 PolarHBondContact O-N 2.9Å; V112-T116 PolarHBondContact O-OG1 2.84Å; V112-T116 VanDerWaalsContact O-OG1 3.05Å |
| 113 | E | 93.3 | Very high | 90.1 | Very high | 78 Ų | 78 | 74.5 Ų | 74.5 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 177.4 | -62.6 | -176.8 | -99.4 | 0 | 0 | 112.3 | V67 R76 F77 S111 T116 L117 | V67-E113 HydrophobicContact CG2-CB 4.11Å; R76-E113 IonicContact CZ-OE2 3.14Å; R76-E113 IonicContact NH1-OE1 3.76Å; R76-E113 IonicContact NH1-OE2 2.89Å; R76-E113 PolarHBondContact NH1-OE2 3.38Å; R76-E113 IonicContact NH2-OE2 2.73Å; R76-E113 PolarHBondContact NH2-OE2 3.39Å; F77-E113 HydrophobicContact CE1-CB 4.32Å; S111-E113 PolarHBondContact O-N 3.15Å; E113-T116 WeakPolarHBondContact O-CB 3.34Å; E113-T116 PolarHBondContact O-N 3.46Å; E113-L117 WeakPolarHBondContact O-CG 3.37Å; E113-L117 PolarHBondContact O-N 3.49Å |
| 114 | V | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 177.6 | 174 | 0 | 0 | 0 | 0 | 111.3 | L62 Y65 V67 P110 S111 V112 T116 L117 F118 | L62-V114 VanDerWaalsContact O-CG1 3.23Å; L62-V114 WeakPolarHBondContact O-CG1 3.42Å; Y65-V114 WeakPolarHBondContact O-CG2 3.47Å; V67-V114 HydrophobicContact CG2-CG2 4.03Å; P110-V114 HydrophobicContact CB-CB 4.23Å; P110-V114 HydrophobicContact CB-CG1 3.94Å; S111-V114 PolarHBondContact O-N 2.93Å; S111-V114 WeakPolarHBondContact OG-CG2 3.4Å; S111-V114 PolarHBondContact OG-N 3.5Å; V112-V114 VanDerWaalsContact C-N 3.33Å; V112-V114 PolarHBondContact O-N 2.86Å; V114-T116 VanDerWaalsContact C-N 3.25Å; V114-T116 PolarHBondContact O-N 2.97Å; V114-L117 PolarHBondContact O-N 3.49Å; V114-F118 PolarHBondContact O-N 3.04Å |
| 115 | T | 95.5 | Very high | 91.6 | Very high | 43 Ų | 43 | 65.8 Ų | 65.8 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.1 | -29.6 | 175.9 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | P110 S111 V112 K119 | P110-T115 HydrophobicContact CB-CG2 3.99Å; S111-T115 WeakPolarHBondContact O-CG2 3.5Å; S111-T115 PolarHBondContact O-N 2.78Å; S111-T115 PolarHBondContact O-OG1 2.8Å; V112-T115 WeakPolarHBondContact CA-OG1 3.32Å; V112-T115 PolarHBondContact O-N 3.39Å; V112-T115 PolarHBondContact O-OG1 3.33Å; T115-K119 VanDerWaalsContact O-CG 3.3Å; T115-K119 WeakPolarHBondContact O-CG 2.99Å; T115-K119 PolarHBondContact O-N 3.14Å; T115-K119 VanDerWaalsContact O-N 3.13Å |
| 116 | T | 96 | Very high | 92.2 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.1 | -47.1 | 172.6 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | V112 E113 V114 F118 K119 E120 | V112-T116 PolarHBondContact O-N 2.9Å; V112-T116 PolarHBondContact O-OG1 2.84Å; V112-T116 VanDerWaalsContact O-OG1 3.05Å; E113-T116 WeakPolarHBondContact O-CB 3.34Å; E113-T116 PolarHBondContact O-N 3.46Å; V114-T116 VanDerWaalsContact C-N 3.25Å; V114-T116 PolarHBondContact O-N 2.97Å; T116-F118 VanDerWaalsContact C-N 3.32Å; T116-F118 PolarHBondContact O-N 2.97Å; T116-K119 PolarHBondContact O-N 2.87Å; T116-K119 VanDerWaalsContact O-N 3.1Å; T116-E120 HydrophobicContact CG2-CG 4.21Å; T116-E120 WeakPolarHBondContact CG2-OE1 3.32Å; T116-E120 WeakPolarHBondContact O-CB 3.27Å; T116-E120 WeakPolarHBondContact O-CG 3.46Å; T116-E120 PolarHBondContact O-N 3.24Å |
| 117 | L | 94.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.6 | -46.4 | 174.2 | -67.8 | 175.5 | 0 | 0 | 0 | 111.8 | L6 N7 L10 L62 F77 E113 V114 K119 E120 C121 | L6-L117 HydrophobicContact CD2-CD1 4.25Å; L6-L117 HydrophobicContact CD2-CD2 3.79Å; L6-L117 HydrophobicContact CG-CD2 4.16Å; N7-L117 VanDerWaalsContact ND2-CD2 3.33Å; N7-L117 WeakPolarHBondContact ND2-CD2 3.47Å; N7-L117 VanDerWaalsContact OD1-CA 3.28Å; N7-L117 WeakPolarHBondContact OD1-CA 3.43Å; N7-L117 WeakPolarHBondContact OD1-CD2 3.27Å; N7-L117 PolarHBondContact OD1-O 2.85Å; L10-L117 HydrophobicContact CD1-CD1 3.85Å; L62-L117 HydrophobicContact CD2-CB 4.23Å; F77-L117 HydrophobicContact CD1-CD1 3.35Å; F77-L117 HydrophobicContact CE1-CD1 3.3Å; F77-L117 HydrophobicContact CE1-CG 4.33Å; F77-L117 HydrophobicContact CG-CD1 4Å; F77-L117 HydrophobicContact CZ-CD1 3.93Å; E113-L117 WeakPolarHBondContact O-CG 3.37Å; E113-L117 PolarHBondContact O-N 3.49Å; V114-L117 PolarHBondContact O-N 3.49Å; L117-K119 VanDerWaalsContact C-N 3.31Å; L117-K119 PolarHBondContact O-N 3.29Å; L117-E120 PolarHBondContact O-N 2.8Å; L117-C121 WeakPolarHBondContact O-CB 3.34Å; L117-C121 PolarHBondContact O-N 2.94Å |
| 118 | F | 96.9 | Very high | 93.3 | Very high | 56 Ų | 56 | 63.2 Ų | 63.2 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.4 | -46.6 | 175 | 165.8 | -111.8 | 0 | 0 | 0 | 112.4 | C59 L63 V114 T116 C121 I122 | C59-F118 HydrophobicContact CB-CD2 4.2Å; C59-F118 HydrophobicContact CB-CE2 4.25Å; C59-F118 VanDerWaalsContact O-CD2 3.3Å; C59-F118 WeakPolarHBondContact O-CD2 3.39Å; L63-F118 HydrophobicContact CD1-CD2 4.38Å; L63-F118 HydrophobicContact CD1-CE2 4.49Å; L63-F118 HydrophobicContact CD1-CG 4.42Å; L63-F118 HydrophobicContact CD2-CB 3.76Å; L63-F118 HydrophobicContact CD2-CD1 4.09Å; L63-F118 HydrophobicContact CD2-CD2 4.44Å; L63-F118 HydrophobicContact CD2-CG 3.82Å; L63-F118 HydrophobicContact CG-CB 4.21Å; L63-F118 HydrophobicContact CG-CD2 4.13Å; L63-F118 HydrophobicContact CG-CG 4.01Å; V114-F118 PolarHBondContact O-N 3.04Å; T116-F118 VanDerWaalsContact C-N 3.32Å; T116-F118 PolarHBondContact O-N 2.97Å; F118-C121 PolarHBondContact O-N 2.88Å; F118-I122 HydrophobicContact CE1-CD1 4.37Å; F118-I122 HydrophobicContact CE2-CD1 4.34Å; F118-I122 HydrophobicContact CZ-CD1 4.04Å |
| 119 | K | 97.5 | Very high | 93.9 | Very high | 140 Ų | 140 | 60.8 Ų | 60.8 | 61% | 0.609 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.9 | -38.2 | 179.6 | -72.6 | 172 | -178.1 | 178.5 | 0 | 112.7 | T115 T116 L117 C121 P123 | T115-K119 VanDerWaalsContact O-CG 3.3Å; T115-K119 WeakPolarHBondContact O-CG 2.99Å; T115-K119 PolarHBondContact O-N 3.14Å; T115-K119 VanDerWaalsContact O-N 3.13Å; T116-K119 PolarHBondContact O-N 2.87Å; T116-K119 VanDerWaalsContact O-N 3.1Å; L117-K119 VanDerWaalsContact C-N 3.31Å; L117-K119 PolarHBondContact O-N 3.29Å; K119-C121 VanDerWaalsContact C-N 3.34Å; K119-P123 WeakPolarHBondContact O-CD 3.3Å |
| 120 | E | 95.7 | Very high | 94.2 | Very high | 70 Ų | 70 | 60 Ų | 60 | 33% | 0.327 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.2 | -26.8 | 179.1 | -71.6 | 177.2 | 174.1 | 0 | 0 | 112.4 | S3 N7 T116 L117 P123 L124 | S3-E120 PolarHBondContact OG-OE2 2.85Å; N7-E120 PolarHBondContact ND2-OE2 3.34Å; T116-E120 HydrophobicContact CG2-CG 4.21Å; T116-E120 WeakPolarHBondContact CG2-OE1 3.32Å; T116-E120 WeakPolarHBondContact O-CB 3.27Å; T116-E120 WeakPolarHBondContact O-CG 3.46Å; T116-E120 PolarHBondContact O-N 3.24Å; L117-E120 PolarHBondContact O-N 2.8Å; E120-P123 VanDerWaalsContact O-CD 3.3Å; E120-P123 WeakPolarHBondContact O-CD 3.23Å; E120-P123 VanDerWaalsContact O-CG 3.32Å; E120-P123 WeakPolarHBondContact O-CG 3.43Å; E120-L124 WeakPolarHBondContact O-CD1 3.43Å; E120-L124 WeakPolarHBondContact O-CG 3.42Å |
| 121 | C | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 113.4 | C59 L62 L117 F118 K119 L124 V125 | C59-C121 WeakPolarHBondContact CA-SG 3.47Å; C59-C121 HydrophobicContact CB-CB 3.71Å; C59-C121 WeakPolarHBondContact CB-SG 3.45Å; C59-C121 WeakPolarHBondContact SG-CB 3.33Å; C59-C121 PolarHBondContact SG-O 2.7Å; C59-C121 CovalentContact SG-SG 2.05Å; C59-C121 PolarHBondContact SG-SG 2.89Å; L62-C121 HydrophobicContact CD2-CB 3.48Å; L62-C121 VanDerWaalsContact CD2-CB 3.48Å; L117-C121 WeakPolarHBondContact O-CB 3.34Å; L117-C121 PolarHBondContact O-N 2.94Å; F118-C121 PolarHBondContact O-N 2.88Å; K119-C121 VanDerWaalsContact C-N 3.34Å; C121-L124 WeakPolarHBondContact O-CB 3.2Å; C121-L124 PolarHBondContact O-N 3.37Å; C121-L124 VanDerWaalsContact O-N 3.13Å; C121-V125 PolarHBondContact O-N 2.88Å |
| 122 | I | 96.9 | Very high | 94.5 | Very high | 78 Ų | 78 | 57.4 Ų | 57.4 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.8 | -53.8 | -177.4 | -64.9 | 163.5 | 0 | 0 | 0 | 112.4 | C59 F118 L124 V125 N126 | C59-I122 HydrophobicContact CB-CG1 4.26Å; F118-I122 HydrophobicContact CE1-CD1 4.37Å; F118-I122 HydrophobicContact CE2-CD1 4.34Å; F118-I122 HydrophobicContact CZ-CD1 4.04Å; I122-L124 PolarHBondContact O-N 3.14Å; I122-V125 PolarHBondContact O-N 2.91Å; I122-N126 PolarHBondContact O-N 3.12Å; I122-N126 PolarHBondContact O-ND2 3.17Å |
| 123 | P | 95.3 | Very high | 94.7 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.2 | -28.6 | 176.4 | 25.7 | -34 | 0 | 0 | 0 | 112.7 | K119 E120 N126 E127 | K119-P123 WeakPolarHBondContact O-CD 3.3Å; E120-P123 VanDerWaalsContact O-CD 3.3Å; E120-P123 WeakPolarHBondContact O-CD 3.23Å; E120-P123 VanDerWaalsContact O-CG 3.32Å; E120-P123 WeakPolarHBondContact O-CG 3.43Å; P123-N126 PolarHBondContact O-N 2.96Å; P123-E127 WeakPolarHBondContact O-CB 3.38Å; P123-E127 PolarHBondContact O-N 3.42Å |
| 124 | L | 91.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 175.6 | -77.7 | 168.3 | 0 | 0 | 0 | 112.8 | Y4 N7 V8 L11 E120 C121 I122 N126 E127 Y128 | Y4-L124 HydrophobicContact CD2-CD2 3.95Å; Y4-L124 HydrophobicContact CE1-CD2 4.44Å; Y4-L124 HydrophobicContact CE2-CD2 3.27Å; Y4-L124 HydrophobicContact CE2-CG 4.36Å; N7-L124 HydrophobicContact CB-CD1 3.22Å; V8-L124 HydrophobicContact CG2-CD1 4.22Å; V8-L124 HydrophobicContact CG2-CD2 3.83Å; L11-L124 HydrophobicContact CD2-CB 4.38Å; E120-L124 WeakPolarHBondContact O-CD1 3.43Å; E120-L124 WeakPolarHBondContact O-CG 3.42Å; C121-L124 WeakPolarHBondContact O-CB 3.2Å; C121-L124 PolarHBondContact O-N 3.37Å; C121-L124 VanDerWaalsContact O-N 3.13Å; I122-L124 PolarHBondContact O-N 3.14Å; L124-N126 VanDerWaalsContact C-N 3.29Å; L124-N126 PolarHBondContact O-N 2.9Å; L124-E127 PolarHBondContact O-N 2.88Å; L124-Y128 HydrophobicContact CD2-CD2 4.13Å; L124-Y128 HydrophobicContact CD2-CE2 3.75Å; L124-Y128 WeakPolarHBondContact O-CB 3.4Å; L124-Y128 WeakPolarHBondContact O-CD2 3.38Å; L124-Y128 PolarHBondContact O-N 3.31Å |
| 125 | V | 95 | Very high | 94.7 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 110 | L11 I58 C59 C121 I122 Y128 Q129 | L11-V125 HydrophobicContact CD1-CG2 3.63Å; L11-V125 HydrophobicContact CD2-CG2 3.85Å; L11-V125 HydrophobicContact CG-CG2 4.41Å; I58-V125 HydrophobicContact CG2-CG2 3.68Å; C59-V125 WeakPolarHBondContact SG-CG2 3.3Å; C121-V125 PolarHBondContact O-N 2.88Å; I122-V125 PolarHBondContact O-N 2.91Å; V125-Y128 CarbonylContact O-C 3.58Å; V125-Y128 PolarHBondContact O-N 2.73Å; V125-Q129 WeakPolarHBondContact O-CA 3.11Å; V125-Q129 WeakPolarHBondContact O-CB 3.28Å; V125-Q129 PolarHBondContact O-N 3.18Å |
| 126 | N | 93.6 | Very high | 94.8 | Very high | 103 Ų | 103 | 54.8 Ų | 54.8 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65 | -41 | 178.7 | -63.6 | -24.6 | 0 | 0 | 0 | 112.4 | I122 P123 L124 Y128 | I122-N126 PolarHBondContact O-N 3.12Å; I122-N126 PolarHBondContact O-ND2 3.17Å; P123-N126 PolarHBondContact O-N 2.96Å; L124-N126 VanDerWaalsContact C-N 3.29Å; L124-N126 PolarHBondContact O-N 2.9Å; N126-Y128 VanDerWaalsContact C-N 3.33Å |
| 127 | E | 91.6 | Very high | 94.8 | Very high | 118 Ų | 118 | 56.7 Ų | 56.7 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.7 | -38.5 | 179.5 | -179.5 | 173.5 | -178.9 | 0 | 0 | 112.1 | Y4 P123 L124 | Y4-E127 PolarHBondContact OH-OE1 3Å; Y4-E127 PolarHBondContact OH-OE2 3.3Å; P123-E127 WeakPolarHBondContact O-CB 3.38Å; P123-E127 PolarHBondContact O-N 3.42Å; L124-E127 PolarHBondContact O-N 2.88Å |
| 128 | Y | 92.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 6% | 0.059 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 10.3 | -176.1 | -67.9 | -65 | 0 | 0 | 0 | 113.9 | Y4 V8 L124 V125 N126 D130 I131 I132 L148 N152 V153 | Y4-Y128 VanDerWaalsContact OH-CE2 3.23Å; Y4-Y128 WeakPolarHBondContact OH-CE2 3.47Å; Y4-Y128 PolarHBondContact OH-OH 3.18Å; V8-Y128 HydrophobicContact CG2-CE2 4.31Å; L124-Y128 HydrophobicContact CD2-CD2 4.13Å; L124-Y128 HydrophobicContact CD2-CE2 3.75Å; L124-Y128 WeakPolarHBondContact O-CB 3.4Å; L124-Y128 WeakPolarHBondContact O-CD2 3.38Å; L124-Y128 PolarHBondContact O-N 3.31Å; V125-Y128 CarbonylContact O-C 3.58Å; V125-Y128 PolarHBondContact O-N 2.73Å; N126-Y128 VanDerWaalsContact C-N 3.33Å; Y128-D130 PolarHBondContact O-N 2.9Å; Y128-I131 HydrophobicContact CD1-CD1 3.74Å; Y128-I131 HydrophobicContact CE1-CD1 4.26Å; Y128-I131 PolarHBondContact O-N 3.49Å; Y128-I132 VanDerWaalsContact O-CG1 3.27Å; Y128-I132 WeakPolarHBondContact O-CG1 3.4Å; Y128-I132 PolarHBondContact O-N 2.78Å; Y128-L148 HydrophobicContact CD1-CD1 3.59Å; Y128-L148 HydrophobicContact CE1-CD1 4.31Å; Y128-L148 HydrophobicContact CG-CD1 3.8Å; Y128-N152 HydrophobicContact CE1-CB 4.25Å; Y128-V153 HydrophobicContact CE1-CG2 3.84Å; Y128-V153 HydrophobicContact CE2-CG2 3.98Å; Y128-V153 VanDerWaalsContact CZ-CG2 3.47Å; Y128-V153 WeakPolarHBondContact OH-CG2 3.37Å |
| 129 | Q | 93.5 | Very high | 94.6 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 36% | 0.36 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.2 | -54.3 | -175.1 | -175 | -179.5 | -36.1 | 0 | 0 | 111.3 | V125 I131 I132 E133 | V125-Q129 WeakPolarHBondContact O-CA 3.11Å; V125-Q129 WeakPolarHBondContact O-CB 3.28Å; V125-Q129 PolarHBondContact O-N 3.18Å; Q129-I131 PolarHBondContact O-N 3.32Å; Q129-I132 PolarHBondContact O-N 2.96Å; Q129-I132 VanDerWaalsContact O-N 3.11Å; Q129-E133 HydrophobicContact CG-CG 4.39Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.34Å; Q129-E133 PolarHBondContact NE2-OE1 3.22Å; Q129-E133 WeakPolarHBondContact O-CG 3.41Å; Q129-E133 PolarHBondContact O-N 3.4Å |
| 130 | D | 94 | Very high | 94.3 | Very high | 127 Ų | 127 | 55.6 Ų | 55.6 | 68% | 0.679 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.2 | -38.4 | -178.8 | -65.5 | -21.1 | 0 | 0 | 0 | 112.1 | Y128 E133 E134 | Y128-D130 PolarHBondContact O-N 2.9Å; D130-E133 PolarHBondContact O-N 3.16Å; D130-E134 WeakPolarHBondContact O-CB 3.49Å; D130-E134 PolarHBondContact O-N 3.01Å |
| 131 | I | 91.9 | Very high | 94.1 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 20% | 0.195 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.8 | -41.1 | 179.7 | -65.7 | 163.7 | 0 | 0 | 0 | 110.5 | Y128 Q129 E133 W135 Y147 L148 N152 | Y128-I131 HydrophobicContact CD1-CD1 3.74Å; Y128-I131 HydrophobicContact CE1-CD1 4.26Å; Y128-I131 PolarHBondContact O-N 3.49Å; Q129-I131 PolarHBondContact O-N 3.32Å; I131-E133 VanDerWaalsContact C-N 3.35Å; I131-W135 WeakPolarHBondContact O-CB 3.48Å; I131-W135 PolarHBondContact O-N 3.08Å; I131-Y147 HydrophobicContact CG2-CD1 4.01Å; I131-Y147 HydrophobicContact CG2-CE1 3.6Å; I131-Y147 WeakPolarHBondContact O-CE1 3.48Å; I131-L148 HydrophobicContact CB-CD1 4.24Å; I131-L148 HydrophobicContact CG2-CD1 3.58Å; I131-N152 HydrophobicContact CD1-CB 4.19Å |
| 132 | I | 94.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 176.3 | -67.9 | 164.2 | 0 | 0 | 0 | 110.3 | I15 L53 Y128 Q129 F136 L148 | I15-I132 HydrophobicContact CD1-CD1 3.92Å; I15-I132 HydrophobicContact CD1-CG1 4.48Å; I15-I132 HydrophobicContact CD1-CG2 4.46Å; L53-I132 HydrophobicContact CD1-CG2 4.15Å; L53-I132 HydrophobicContact CD2-CG2 4.4Å; Y128-I132 VanDerWaalsContact O-CG1 3.27Å; Y128-I132 WeakPolarHBondContact O-CG1 3.4Å; Y128-I132 PolarHBondContact O-N 2.78Å; Q129-I132 PolarHBondContact O-N 2.96Å; Q129-I132 VanDerWaalsContact O-N 3.11Å; I132-F136 VanDerWaalsContact O-CB 3.28Å; I132-F136 WeakPolarHBondContact O-CB 3.31Å; I132-F136 PolarHBondContact O-N 3.02Å; I132-L148 HydrophobicContact CG1-CD2 4.37Å |
| 133 | E | 96.2 | Very high | 93.5 | Very high | 58 Ų | 58 | 61.6 Ų | 61.6 | 27% | 0.271 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 176 | -73 | -173.6 | -163.1 | 0 | 0 | 111.7 | L49 Q129 D130 I131 W135 F136 Y137 | L49-E133 HydrophobicContact CD2-CG 3.95Å; Q129-E133 HydrophobicContact CG-CG 4.39Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.34Å; Q129-E133 PolarHBondContact NE2-OE1 3.22Å; Q129-E133 WeakPolarHBondContact O-CG 3.41Å; Q129-E133 PolarHBondContact O-N 3.4Å; D130-E133 PolarHBondContact O-N 3.16Å; I131-E133 VanDerWaalsContact C-N 3.35Å; E133-W135 VanDerWaalsContact C-N 3.29Å; E133-W135 PolarHBondContact O-N 3.11Å; E133-F136 PolarHBondContact O-N 2.98Å; E133-F136 VanDerWaalsContact O-N 3.12Å; E133-Y137 HydrophobicContact CB-CD2 4.38Å; E133-Y137 HydrophobicContact CB-CE2 4.3Å; E133-Y137 WeakPolarHBondContact O-CD2 3.46Å; E133-Y137 PolarHBondContact O-N 2.85Å |
| 134 | E | 95.1 | Very high | 93.3 | Very high | 110 Ų | 110 | 58.2 Ų | 58.2 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.6 | -45 | 176.5 | -175.1 | -179.6 | 169.6 | 0 | 0 | 111.1 | D130 Y137 S138 N139 Y147 | D130-E134 WeakPolarHBondContact O-CB 3.49Å; D130-E134 PolarHBondContact O-N 3.01Å; E134-Y137 PolarHBondContact O-N 2.9Å; E134-S138 WeakPolarHBondContact O-CB 3.48Å; E134-S138 PolarHBondContact O-N 3.31Å; E134-N139 PolarHBondContact O-ND2 3.16Å; E134-Y147 VanDerWaalsContact CD-OH 3.28Å; E134-Y147 PolarHBondContact OE1-OH 2.73Å |
| 135 | W | 94.9 | Very high | 93 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.6 | -49 | 174 | 178.7 | 78.4 | 0 | 0 | 0 | 111.9 | L16 L19 I131 E133 Y137 N139 Q140 I142 L144 Y147 | L16-W135 HydrophobicContact CD2-CH2 4.4Å; L19-W135 HydrophobicContact CD1-CH2 3.64Å; L19-W135 HydrophobicContact CD1-CZ3 3.63Å; I131-W135 WeakPolarHBondContact O-CB 3.48Å; I131-W135 PolarHBondContact O-N 3.08Å; E133-W135 VanDerWaalsContact C-N 3.29Å; E133-W135 PolarHBondContact O-N 3.11Å; W135-Y137 VanDerWaalsContact C-N 3.35Å; W135-Y137 PolarHBondContact O-N 3.22Å; W135-N139 VanDerWaalsContact CD1-O 3.31Å; W135-N139 PolarHBondContact NE1-O 3.42Å; W135-N139 CarbonylContact O-C 3.59Å; W135-N139 VanDerWaalsContact O-C 3.25Å; W135-N139 WeakPolarHBondContact O-CA 3.48Å; W135-N139 PolarHBondContact O-N 3.48Å; W135-Q140 HydrophobicContact CH2-CG 4.4Å; W135-Q140 PolarHBondContact O-N 3.17Å; W135-Q140 VanDerWaalsContact O-N 3.16Å; W135-I142 WeakPolarHBondContact CZ2-O 3.42Å; W135-I142 PolarHBondContact NE1-O 3.4Å; W135-L144 HydrophobicContact CB-CD1 4.23Å; W135-L144 HydrophobicContact CD2-CB 4.05Å; W135-L144 HydrophobicContact CD2-CD1 3.59Å; W135-L144 HydrophobicContact CD2-CG 4.27Å; W135-L144 HydrophobicContact CE3-CB 4.36Å; W135-L144 HydrophobicContact CE3-CD1 3.84Å; W135-L144 HydrophobicContact CE3-CD2 4.23Å; W135-L144 HydrophobicContact CE3-CG 4.36Å; W135-L144 HydrophobicContact CG-CD1 3.73Å; W135-L144 HydrophobicContact CH2-CB 3.99Å; W135-L144 HydrophobicContact CZ2-CB 3.66Å; W135-L144 HydrophobicContact CZ3-CB 4.33Å; W135-L144 HydrophobicContact CZ3-CD2 4.17Å; W135-Y147 HydrophobicContact CB-CD1 3.63Å; W135-Y147 HydrophobicContact CB-CE1 3.6Å; W135-Y147 HydrophobicContact CB-CG 4.33Å; W135-Y147 AromaticContact CD1-CD1 3.68Å; W135-Y147 AromaticContact CD1-CG 3.51Å; W135-Y147 AromaticContact CG-CD1 3.92Å; W135-Y147 HydrophobicContact CG-CD1 3.92Å; W135-Y147 HydrophobicContact CG-CE1 4.33Å; W135-Y147 HydrophobicContact CG-CG 4.21Å |
| 136 | F | 96.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | -176.9 | -179.7 | -91.4 | 0 | 0 | 0 | 112.5 | L19 E43 S45 R48 L49 I132 E133 Q140 | L19-F136 HydrophobicContact CD2-CD2 4.1Å; L19-F136 HydrophobicContact CD2-CE2 3.76Å; E43-F136 WeakPolarHBondContact O-CZ 3.48Å; S45-F136 WeakPolarHBondContact O-CE1 3.48Å; R48-F136 HydrophobicContact CB-CZ 4.17Å; R48-F136 HydrophobicContact CG-CE2 4.5Å; R48-F136 HydrophobicContact CG-CZ 4.28Å; L49-F136 HydrophobicContact CB-CD1 4.03Å; L49-F136 HydrophobicContact CB-CE1 3.74Å; L49-F136 HydrophobicContact CB-CE2 4.44Å; L49-F136 HydrophobicContact CB-CZ 3.96Å; L49-F136 HydrophobicContact CD1-CB 4.1Å; L49-F136 HydrophobicContact CD1-CD1 4.03Å; L49-F136 HydrophobicContact CD1-CD2 4Å; L49-F136 HydrophobicContact CD1-CE1 4.49Å; L49-F136 HydrophobicContact CD1-CE2 4.45Å; L49-F136 HydrophobicContact CD1-CG 3.77Å; L49-F136 HydrophobicContact CD2-CD1 4.36Å; L49-F136 HydrophobicContact CG-CD1 4.36Å; I132-F136 VanDerWaalsContact O-CB 3.28Å; I132-F136 WeakPolarHBondContact O-CB 3.31Å; I132-F136 PolarHBondContact O-N 3.02Å; E133-F136 PolarHBondContact O-N 2.98Å; E133-F136 VanDerWaalsContact O-N 3.12Å; F136-Q140 VanDerWaalsContact O-CG 3.24Å; F136-Q140 WeakPolarHBondContact O-CG 3.19Å; F136-Q140 PolarHBondContact O-NE2 2.73Å |
| 137 | Y | 96.1 | Very high | 92.3 | Very high | 93 Ų | 93 | 57.7 Ų | 57.7 | 37% | 0.365 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -86.2 | -30 | -177.3 | -68.6 | -60.3 | 0 | 0 | 0 | 113.9 | L49 E133 E134 W135 | L49-Y137 HydrophobicContact CD2-CE2 3.89Å; L49-Y137 WeakPolarHBondContact CD2-OH 3.35Å; E133-Y137 HydrophobicContact CB-CD2 4.38Å; E133-Y137 HydrophobicContact CB-CE2 4.3Å; E133-Y137 WeakPolarHBondContact O-CD2 3.46Å; E133-Y137 PolarHBondContact O-N 2.85Å; E134-Y137 PolarHBondContact O-N 2.9Å; W135-Y137 VanDerWaalsContact C-N 3.35Å; W135-Y137 PolarHBondContact O-N 3.22Å |
| 138 | S | 93.9 | Very high | 91.9 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 59% | 0.594 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -125.7 | -20.4 | -167.2 | -53.5 | 0 | 0 | 0 | 0 | 115 | E134 | E134-S138 WeakPolarHBondContact O-CB 3.48Å; E134-S138 PolarHBondContact O-N 3.31Å |
| 139 | N | 93.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 20% | 0.198 | 26% | 0.262 | C | S | . | . | trans | -132.5 | 28.5 | -167.9 | -51 | -75.1 | 0 | 0 | 0 | 113.8 | E134 W135 D141 I142 Y147 | E134-N139 PolarHBondContact O-ND2 3.16Å; W135-N139 VanDerWaalsContact CD1-O 3.31Å; W135-N139 PolarHBondContact NE1-O 3.42Å; W135-N139 CarbonylContact O-C 3.59Å; W135-N139 VanDerWaalsContact O-C 3.25Å; W135-N139 WeakPolarHBondContact O-CA 3.48Å; W135-N139 PolarHBondContact O-N 3.48Å; N139-D141 WeakPolarHBondContact CA-OD1 3.48Å; N139-D141 PolarHBondContact O-N 3.27Å; N139-D141 VanDerWaalsContact O-N 3.11Å; N139-I142 HydrophobicContact CB-CD1 4.15Å; N139-I142 HydrophobicContact CB-CG1 4.42Å; N139-I142 WeakPolarHBondContact O-CB 3.42Å; N139-I142 PolarHBondContact O-N 3.44Å; N139-Y147 HydrophobicContact CB-CD2 4.44Å; N139-Y147 HydrophobicContact CB-CE2 4.15Å | ||
| 140 | Q | 92.4 | Very high | 90.1 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.3 | 178.4 | -71.2 | -166.7 | 35.3 | 0 | 0 | 113.7 | E43 W135 F136 | E43-Q140 PolarHBondContact O-NE2 2.99Å; E43-Q140 VanDerWaalsContact O-NE2 3.09Å; W135-Q140 HydrophobicContact CH2-CG 4.4Å; W135-Q140 PolarHBondContact O-N 3.17Å; W135-Q140 VanDerWaalsContact O-N 3.16Å; F136-Q140 VanDerWaalsContact O-CG 3.24Å; F136-Q140 WeakPolarHBondContact O-CG 3.19Å; F136-Q140 PolarHBondContact O-NE2 2.73Å |
| 141 | D | 91.4 | Very high | 89 | Confident | 140 Ų | 140 | 52.7 Ų | 52.7 | 75% | 0.749 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -20.8 | 171.5 | 61.2 | -59.4 | 0 | 0 | 0 | 112.9 | N139 | N139-D141 WeakPolarHBondContact CA-OD1 3.48Å; N139-D141 PolarHBondContact O-N 3.27Å; N139-D141 VanDerWaalsContact O-N 3.11Å |
| 142 | I | 90.8 | Very high | 88 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 29% | 0.292 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -91.5 | 139.1 | 174.9 | -51.8 | -179.6 | 0 | 0 | 0 | 108.7 | W135 N139 L144 Y147 | W135-I142 WeakPolarHBondContact CZ2-O 3.42Å; W135-I142 PolarHBondContact NE1-O 3.4Å; N139-I142 HydrophobicContact CB-CD1 4.15Å; N139-I142 HydrophobicContact CB-CG1 4.42Å; N139-I142 WeakPolarHBondContact O-CB 3.42Å; N139-I142 PolarHBondContact O-N 3.44Å; I142-L144 PolarHBondContact O-N 2.81Å; I142-Y147 HydrophobicContact CD1-CD2 4.29Å; I142-Y147 HydrophobicContact CG2-CD2 4.47Å |
| 143 | N | 90.2 | Very high | 86.7 | Confident | 77 Ų | 77 | 55 Ų | 55 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | trans | -63.9 | 126.8 | 173.8 | -169.3 | -57.9 | 0 | 0 | 0 | 110.3 | Y145 D146 Y147 | N143-Y145 PolarHBondContact O-N 2.92Å; N143-Y145 VanDerWaalsContact O-N 3.14Å; N143-Y145 VanDerWaalsContact OD1-CB 3.23Å; N143-Y145 WeakPolarHBondContact OD1-CB 3.32Å; N143-Y145 PolarHBondContact OD1-N 2.87Å; N143-D146 HydrophobicContact CB-CB 4.42Å; N143-D146 WeakPolarHBondContact O-CA 3.49Å; N143-D146 PolarHBondContact O-N 3.4Å; N143-Y147 PolarHBondContact O-N 3.32Å | ||
| 144 | L | 91 | Very high | 85.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.3 | -32.1 | 179.9 | -178.8 | 58.2 | 0 | 0 | 0 | 112.8 | V12 I15 L16 W135 I142 D146 Y147 L148 | V12-L144 HydrophobicContact CG1-CB 4.11Å; V12-L144 HydrophobicContact CG1-CD2 4.08Å; V12-L144 HydrophobicContact CG1-CG 3.86Å; V12-L144 HydrophobicContact CG2-CG 4.37Å; I15-L144 HydrophobicContact CB-CD2 3.95Å; I15-L144 HydrophobicContact CD1-CD2 4.17Å; I15-L144 HydrophobicContact CG2-CD2 3.47Å; I15-L144 VanDerWaalsContact CG2-CD2 3.47Å; L16-L144 HydrophobicContact CD2-CB 3.97Å; L16-L144 HydrophobicContact CG-CB 4.38Å; W135-L144 HydrophobicContact CB-CD1 4.23Å; W135-L144 HydrophobicContact CD2-CB 4.05Å; W135-L144 HydrophobicContact CD2-CD1 3.59Å; W135-L144 HydrophobicContact CD2-CG 4.27Å; W135-L144 HydrophobicContact CE3-CB 4.36Å; W135-L144 HydrophobicContact CE3-CD1 3.84Å; W135-L144 HydrophobicContact CE3-CD2 4.23Å; W135-L144 HydrophobicContact CE3-CG 4.36Å; W135-L144 HydrophobicContact CG-CD1 3.73Å; W135-L144 HydrophobicContact CH2-CB 3.99Å; W135-L144 HydrophobicContact CZ2-CB 3.66Å; W135-L144 HydrophobicContact CZ3-CB 4.33Å; W135-L144 HydrophobicContact CZ3-CD2 4.17Å; I142-L144 PolarHBondContact O-N 2.81Å; L144-D146 VanDerWaalsContact C-N 3.32Å; L144-D146 PolarHBondContact O-N 3.47Å; L144-Y147 PolarHBondContact O-N 3.09Å; L144-L148 HydrophobicContact CD1-CB 4.04Å; L144-L148 VanDerWaalsContact O-CB 3.3Å; L144-L148 WeakPolarHBondContact O-CB 3.24Å; L144-L148 PolarHBondContact O-N 3.09Å |
| 145 | Y | 85.7 | Confident | 83.6 | Confident | 30 Ų | 30 | 52 Ų | 52 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -61.4 | -42 | 173.1 | -92.4 | -75.2 | 0 | 0 | 0 | 112.3 | K9 V12 T13 L16 N143 C149 L162 | K9-Y145 HydrophobicContact CB-CE1 4.34Å; K9-Y145 HydrophobicContact CG-CE1 3.92Å; K9-Y145 WeakPolarHBondContact CG-OH 3.48Å; K9-Y145 PolarHBondContact O-OH 3.47Å; V12-Y145 HydrophobicContact CB-CD1 4.07Å; V12-Y145 HydrophobicContact CB-CD2 4.32Å; V12-Y145 HydrophobicContact CB-CE1 3.93Å; V12-Y145 HydrophobicContact CB-CE2 4.17Å; V12-Y145 HydrophobicContact CB-CG 4.29Å; V12-Y145 HydrophobicContact CG1-CD1 3.76Å; V12-Y145 HydrophobicContact CG1-CD2 3.36Å; V12-Y145 HydrophobicContact CG1-CE1 3.98Å; V12-Y145 HydrophobicContact CG1-CE2 3.59Å; V12-Y145 HydrophobicContact CG1-CG 3.47Å; V12-Y145 VanDerWaalsContact CG1-CG 3.47Å; T13-Y145 PolarHBondContact OG1-OH 3.15Å; L16-Y145 HydrophobicContact CD1-CD2 3.5Å; L16-Y145 HydrophobicContact CD1-CE2 3.82Å; N143-Y145 PolarHBondContact O-N 2.92Å; N143-Y145 VanDerWaalsContact O-N 3.14Å; N143-Y145 VanDerWaalsContact OD1-CB 3.23Å; N143-Y145 WeakPolarHBondContact OD1-CB 3.32Å; N143-Y145 PolarHBondContact OD1-N 2.87Å; Y145-C149 WeakPolarHBondContact O-CA 3.47Å; Y145-C149 WeakPolarHBondContact O-CB 3.34Å; Y145-C149 PolarHBondContact O-N 2.87Å; Y145-L162 HydrophobicContact CD1-CD2 4.45Å |
| 146 | D | 85.5 | Confident | 81.9 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -71.9 | -45.7 | 179.3 | -65.7 | -41.9 | 0 | 0 | 0 | 109.9 | N143 L144 R150 | N143-D146 HydrophobicContact CB-CB 4.42Å; N143-D146 WeakPolarHBondContact O-CA 3.49Å; N143-D146 PolarHBondContact O-N 3.4Å; L144-D146 VanDerWaalsContact C-N 3.32Å; L144-D146 PolarHBondContact O-N 3.47Å; D146-R150 VanDerWaalsContact O-CB 3.25Å; D146-R150 WeakPolarHBondContact O-CB 3.47Å; D146-R150 PolarHBondContact O-N 2.85Å; D146-R150 VanDerWaalsContact O-N 3.09Å; D146-R150 WeakPolarHBondContact OD1-CD 3.37Å; D146-R150 IonicContact OD1-CZ 3.57Å; D146-R150 IonicContact OD1-NE 3.91Å; D146-R150 PolarHBondContact OD1-NE 3.11Å; D146-R150 IonicContact OD1-NH2 2.86Å |
| 147 | Y | 87 | Confident | 79.8 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 7% | 0.071 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -62.4 | -52.5 | -179.7 | -169.6 | -94.7 | 0 | 0 | 0 | 112.9 | I131 E134 W135 N139 I142 N143 L144 E151 N152 | I131-Y147 HydrophobicContact CG2-CD1 4.01Å; I131-Y147 HydrophobicContact CG2-CE1 3.6Å; I131-Y147 WeakPolarHBondContact O-CE1 3.48Å; E134-Y147 VanDerWaalsContact CD-OH 3.28Å; E134-Y147 PolarHBondContact OE1-OH 2.73Å; W135-Y147 HydrophobicContact CB-CD1 3.63Å; W135-Y147 HydrophobicContact CB-CE1 3.6Å; W135-Y147 HydrophobicContact CB-CG 4.33Å; W135-Y147 AromaticContact CD1-CD1 3.68Å; W135-Y147 AromaticContact CD1-CG 3.51Å; W135-Y147 AromaticContact CG-CD1 3.92Å; W135-Y147 HydrophobicContact CG-CD1 3.92Å; W135-Y147 HydrophobicContact CG-CE1 4.33Å; W135-Y147 HydrophobicContact CG-CG 4.21Å; N139-Y147 HydrophobicContact CB-CD2 4.44Å; N139-Y147 HydrophobicContact CB-CE2 4.15Å; I142-Y147 HydrophobicContact CD1-CD2 4.29Å; I142-Y147 HydrophobicContact CG2-CD2 4.47Å; N143-Y147 PolarHBondContact O-N 3.32Å; L144-Y147 PolarHBondContact O-N 3.09Å; Y147-E151 WeakPolarHBondContact O-CB 3.49Å; Y147-N152 PolarHBondContact O-ND2 3.21Å |
| 148 | L | 84.3 | Confident | 78 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -78.8 | -50.7 | -177.8 | -170.2 | 65.8 | 0 | 0 | 0 | 111.3 | V8 V12 Y128 I131 I132 L144 N152 V153 | V8-L148 HydrophobicContact CG1-CD2 4.24Å; V12-L148 HydrophobicContact CG2-CB 4.35Å; V12-L148 HydrophobicContact CG2-CD2 3.6Å; V12-L148 HydrophobicContact CG2-CG 4.49Å; Y128-L148 HydrophobicContact CD1-CD1 3.59Å; Y128-L148 HydrophobicContact CE1-CD1 4.31Å; Y128-L148 HydrophobicContact CG-CD1 3.8Å; I131-L148 HydrophobicContact CB-CD1 4.24Å; I131-L148 HydrophobicContact CG2-CD1 3.58Å; I132-L148 HydrophobicContact CG1-CD2 4.37Å; L144-L148 HydrophobicContact CD1-CB 4.04Å; L144-L148 VanDerWaalsContact O-CB 3.3Å; L144-L148 WeakPolarHBondContact O-CB 3.24Å; L144-L148 PolarHBondContact O-N 3.09Å; L148-N152 WeakPolarHBondContact O-CB 3.36Å; L148-N152 PolarHBondContact O-N 3.35Å; L148-V153 HydrophobicContact CG-CG2 4.25Å; L148-V153 VanDerWaalsContact O-CG2 3.26Å; L148-V153 WeakPolarHBondContact O-CG2 3.26Å; L148-V153 PolarHBondContact O-N 3.14Å |
| 149 | C | 75.9 | Confident | 76.3 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -79.4 | -39.1 | -169.1 | -54 | 0 | 0 | 0 | 0 | 113.1 | Y145 L154 L162 | Y145-C149 WeakPolarHBondContact O-CA 3.47Å; Y145-C149 WeakPolarHBondContact O-CB 3.34Å; Y145-C149 PolarHBondContact O-N 2.87Å; C149-L154 HydrophobicContact CB-CD1 3.85Å; C149-L154 HydrophobicContact CB-CG 4.4Å; C149-L154 VanDerWaalsContact O-CB 3.23Å; C149-L154 WeakPolarHBondContact O-CB 3.22Å; C149-L154 VanDerWaalsContact O-CG 3.3Å; C149-L154 WeakPolarHBondContact O-CG 3.32Å; C149-L154 PolarHBondContact O-N 3.3Å; C149-L162 HydrophobicContact CB-CD2 3.73Å |
| 150 | R | 72 | Confident | 74.4 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -81.7 | -36.1 | -177.5 | -64.2 | -177.6 | -171.6 | -93.5 | 0.4 | 113.1 | D146 L162 | D146-R150 VanDerWaalsContact O-CB 3.25Å; D146-R150 WeakPolarHBondContact O-CB 3.47Å; D146-R150 PolarHBondContact O-N 2.85Å; D146-R150 VanDerWaalsContact O-N 3.09Å; D146-R150 WeakPolarHBondContact OD1-CD 3.37Å; D146-R150 IonicContact OD1-CZ 3.57Å; D146-R150 IonicContact OD1-NE 3.91Å; D146-R150 PolarHBondContact OD1-NE 3.11Å; D146-R150 IonicContact OD1-NH2 2.86Å; R150-L162 HydrophobicContact CG-CD1 3.4Å |
| 151 | E | 69.8 | Low | 72.6 | Confident | 134 Ų | 134 | 59.1 Ų | 59.1 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | I | π-helix | trans | -91.1 | -28.9 | -172.6 | -53.5 | -170.4 | 160.3 | 0 | 0 | 112.6 | Y147 | Y147-E151 WeakPolarHBondContact O-CB 3.49Å |
| 152 | N | 70.4 | Confident | 71 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -119.8 | -22.1 | -169.2 | -64 | -78.5 | 0 | 0 | 0 | 115.1 | Y128 I131 Y147 L148 | Y128-N152 HydrophobicContact CE1-CB 4.25Å; I131-N152 HydrophobicContact CD1-CB 4.19Å; Y147-N152 PolarHBondContact O-ND2 3.21Å; L148-N152 WeakPolarHBondContact O-CB 3.36Å; L148-N152 PolarHBondContact O-N 3.35Å |
| 153 | V | 67.3 | Low | 69.6 | Low | 20 Ų | 20 | 57.4 Ų | 57.4 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -116.1 | -51.7 | -168.6 | 175.8 | 0 | 0 | 0 | 0 | 112.9 | Y4 V8 Y128 L148 | Y4-V153 HydrophobicContact CD1-CG1 4.33Å; Y4-V153 HydrophobicContact CE1-CG1 3.88Å; V8-V153 HydrophobicContact CB-CG1 4.16Å; V8-V153 HydrophobicContact CG1-CB 4.39Å; V8-V153 HydrophobicContact CG1-CG1 4.04Å; V8-V153 HydrophobicContact CG1-CG2 3.83Å; V8-V153 HydrophobicContact CG2-CG1 3.85Å; V8-V153 HydrophobicContact CG2-CG2 4.3Å; Y128-V153 HydrophobicContact CE1-CG2 3.84Å; Y128-V153 HydrophobicContact CE2-CG2 3.98Å; Y128-V153 VanDerWaalsContact CZ-CG2 3.47Å; Y128-V153 WeakPolarHBondContact OH-CG2 3.37Å; L148-V153 HydrophobicContact CG-CG2 4.25Å; L148-V153 VanDerWaalsContact O-CG2 3.26Å; L148-V153 WeakPolarHBondContact O-CG2 3.26Å; L148-V153 PolarHBondContact O-N 3.14Å |
| 154 | L | 63.8 | Low | 68.2 | Low | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | trans | -92.5 | 123 | -168.3 | -63.2 | 167.2 | 0 | 0 | 0 | 111.1 | H5 C149 Q159 L162 | H5-L154 HydrophobicContact CB-CD2 3.97Å; H5-L154 WeakPolarHBondContact CD2-CD2 3.47Å; H5-L154 VanDerWaalsContact CG-CD2 3.4Å; C149-L154 HydrophobicContact CB-CD1 3.85Å; C149-L154 HydrophobicContact CB-CG 4.4Å; C149-L154 VanDerWaalsContact O-CB 3.23Å; C149-L154 WeakPolarHBondContact O-CB 3.22Å; C149-L154 VanDerWaalsContact O-CG 3.3Å; C149-L154 WeakPolarHBondContact O-CG 3.32Å; C149-L154 PolarHBondContact O-N 3.3Å; L154-Q159 HydrophobicContact CB-CG 4.03Å; L154-L162 HydrophobicContact CD1-CD1 3.72Å; L154-L162 HydrophobicContact CD1-CD2 3.55Å; L154-L162 HydrophobicContact CD1-CG 3.57Å | ||
| 155 | D | 63.2 | Low | 66.5 | Low | 88 Ų | 88 | 66 Ų | 66 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | trans | -56.6 | 153.1 | 157.9 | 64.5 | 21 | 0 | 0 | 0 | 110.2 | S157 S158 | D155-S157 PolarHBondContact O-N 2.51Å; D155-S157 PolarHBondContact OD1-OG 2.73Å; D155-S157 PolarHBondContact OD2-OG 2.98Å; D155-S158 PolarHBondContact O-N 3.23Å; D155-S158 WeakPolarHBondContact OD1-CB 3.22Å; D155-S158 PolarHBondContact OD1-N 3.1Å; D155-S158 PolarHBondContact OD1-OG 3.41Å | ||
| 156 | K | 58.7 | Low | 64.8 | Low | 196 Ų | 196 | 65.9 Ų | 65.9 | 85% | 0.852 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -27.3 | -176.9 | -69.9 | -177 | 178.7 | 179.6 | 0 | 112.8 | ||
| 157 | S | 52.4 | Low | 63.2 | Low | 98 Ų | 98 | 66.6 Ų | 66.6 | 69% | 0.685 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -29 | 176.9 | 35.1 | 0 | 0 | 0 | 0 | 114.7 | D155 | D155-S157 PolarHBondContact O-N 2.51Å; D155-S157 PolarHBondContact OD1-OG 2.73Å; D155-S157 PolarHBondContact OD2-OG 2.98Å |
| 158 | S | 58.7 | Low | 61.1 | Low | 32 Ų | 32 | 71 Ų | 71 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -91.2 | -4.2 | -176.5 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | H5 D155 G160 C161 | H5-S158 VanDerWaalsContact CE1-CB 3.41Å; H5-S158 WeakPolarHBondContact CE1-CB 3.25Å; H5-S158 PolarHBondContact CE1-OG 3.36Å; D155-S158 PolarHBondContact O-N 3.23Å; D155-S158 WeakPolarHBondContact OD1-CB 3.22Å; D155-S158 PolarHBondContact OD1-N 3.1Å; D155-S158 PolarHBondContact OD1-OG 3.41Å; S158-G160 PolarHBondContact O-N 3.46Å; S158-G160 VanDerWaalsContact O-N 3.14Å; S158-C161 PolarHBondContact O-N 3.07Å; S158-C161 PolarHBondContact O-SG 3.39Å; S158-C161 VanDerWaalsContact O-SG 3.37Å |
| 159 | Q | 59.1 | Low | 59 | Low | 47 Ų | 47 | 76.9 Ų | 76.9 | 22% | 0.22 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -64.9 | -14.6 | 178.9 | -64.8 | -161.2 | -3 | 0 | 0 | 114.2 | L154 C161 L162 | L154-Q159 HydrophobicContact CB-CG 4.03Å; Q159-C161 PolarHBondContact O-N 3.33Å; Q159-C161 VanDerWaalsContact O-N 3.16Å; Q159-L162 HydrophobicContact CB-CD1 3.98Å; Q159-L162 HydrophobicContact CG-CD1 4.13Å; Q159-L162 VanDerWaalsContact O-CB 3.22Å; Q159-L162 WeakPolarHBondContact O-CB 3.36Å; Q159-L162 WeakPolarHBondContact O-CG 3.47Å; Q159-L162 PolarHBondContact O-N 3.46Å |
| 160 | G | 53.2 | Low | 57.1 | Low | 49 Ų | 49 | 80.7 Ų | 80.7 | 51% | 0.505 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -56.5 | -29.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S158 L162 N163 | S158-G160 PolarHBondContact O-N 3.46Å; S158-G160 VanDerWaalsContact O-N 3.14Å; G160-L162 PolarHBondContact O-N 2.76Å; G160-N163 PolarHBondContact O-N 2.98Å |
| 161 | C | 53.8 | Low | 55.2 | Low | 11 Ų | 11 | 85.4 Ų | 85.4 | 7% | 0.074 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -70.7 | -19.3 | 178.6 | 77.2 | 0 | 0 | 0 | 0 | 113.9 | M1 K9 S158 Q159 N163 E164 | M1-C161 HydrophobicContact CG-CB 4.3Å; M1-C161 HydrophobicContact SD-CB 3.31Å; M1-C161 WeakPolarHBondContact SD-CB 3.08Å; K9-C161 PolarHBondContact NZ-O 3.43Å; S158-C161 PolarHBondContact O-N 3.07Å; S158-C161 PolarHBondContact O-SG 3.39Å; S158-C161 VanDerWaalsContact O-SG 3.37Å; Q159-C161 PolarHBondContact O-N 3.33Å; Q159-C161 VanDerWaalsContact O-N 3.16Å; C161-N163 PolarHBondContact O-N 3.39Å; C161-E164 PolarHBondContact O-N 2.81Å |
| 162 | L | 58.1 | Low | 53.3 | Low | 38 Ų | 38 | 88.2 Ų | 88.2 | 20% | 0.199 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -68.7 | -24.7 | 177.1 | -60.7 | 173.9 | 0 | 0 | 0 | 111.6 | Y145 C149 R150 L154 Q159 G160 E164 | Y145-L162 HydrophobicContact CD1-CD2 4.45Å; C149-L162 HydrophobicContact CB-CD2 3.73Å; R150-L162 HydrophobicContact CG-CD1 3.4Å; L154-L162 HydrophobicContact CD1-CD1 3.72Å; L154-L162 HydrophobicContact CD1-CD2 3.55Å; L154-L162 HydrophobicContact CD1-CG 3.57Å; Q159-L162 HydrophobicContact CB-CD1 3.98Å; Q159-L162 HydrophobicContact CG-CD1 4.13Å; Q159-L162 VanDerWaalsContact O-CB 3.22Å; Q159-L162 WeakPolarHBondContact O-CB 3.36Å; Q159-L162 WeakPolarHBondContact O-CG 3.47Å; Q159-L162 PolarHBondContact O-N 3.46Å; G160-L162 PolarHBondContact O-N 2.76Å; L162-E164 VanDerWaalsContact C-N 3.35Å |
| 163 | N | 61.7 | Low | 51.4 | Low | 123 Ų | 123 | 89 Ų | 89 | 66% | 0.658 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -88 | -6.4 | -178.9 | -60.6 | -23.6 | 0 | 0 | 0 | 112.6 | G160 C161 K165 | G160-N163 PolarHBondContact O-N 2.98Å; C161-N163 PolarHBondContact O-N 3.39Å; N163-K165 PolarHBondContact O-N 3.06Å |
| 164 | E | 61.2 | Low | 49.8 | Very low | 65 Ų | 65 | 93.6 Ų | 93.6 | 30% | 0.304 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -74.4 | 108.1 | 177 | -67.5 | 178.7 | -160.1 | 0 | 0 | 109.7 | K9 S74 C161 L162 S166 | K9-E164 PolarHBondContact NZ-O 3.3Å; K9-E164 IonicContact NZ-OE2 3.54Å; S74-E164 WeakPolarHBondContact CB-OE2 3.36Å; S74-E164 PolarHBondContact N-OE2 3.36Å; S74-E164 PolarHBondContact OG-OE2 3.09Å; C161-E164 PolarHBondContact O-N 2.81Å; L162-E164 VanDerWaalsContact C-N 3.35Å; E164-S166 PolarHBondContact O-N 3.37Å; E164-S166 VanDerWaalsContact O-N 3.07Å |
| 165 | K | 54.1 | Low | 48.3 | Very low | 191 Ų | 191 | 101.9 Ų | 101.9 | 83% | 0.83 | 54% | 0.543 | S | S | * | . | trans | -53.8 | 112.9 | 176.1 | -72.7 | -177 | 178.3 | 179.7 | 0 | 110.2 | N163 | N163-K165 PolarHBondContact O-N 3.06Š| ||
| 166 | S | 51.2 | Low | 46.7 | Very low | 29 Ų | 29 | 104.5 Ų | 104.5 | 20% | 0.203 | 56% | 0.557 | C | S | . | * | trans | -69.9 | 133.8 | 168.5 | 56.4 | 0 | 0 | 0 | 0 | 109.3 | E164 N168 Q169 | E164-S166 PolarHBondContact O-N 3.37Å; E164-S166 VanDerWaalsContact O-N 3.07Å; S166-N168 PolarHBondContact O-N 3.36Å; S166-Q169 PolarHBondContact O-N 3.17Å; S166-Q169 WeakPolarHBondContact OG-CG 3.34Å | ||
| 167 | P | 50.4 | Low | 45.5 | Very low | 77 Ų | 77 | 102.8 Ų | 102.8 | 50% | 0.5 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.5 | -17.9 | -176.5 | 21.8 | -31.9 | 0 | 0 | 0 | 114.2 | D78 | D78-P167 WeakPolarHBondContact OD2-CG 3.32Š|
| 168 | N | 44.3 | Very low | 44.7 | Very low | 109 Ų | 109 | 107.3 Ų | 107.3 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 16.8 | -177.9 | -77.4 | -53 | 0 | 0 | 0 | 115.3 | D78 S166 P170 | D78-N168 PolarHBondContact OD2-ND2 3.01Å; S166-N168 PolarHBondContact O-N 3.36Å; N168-P170 VanDerWaalsContact O-CD 3.3Å; N168-P170 WeakPolarHBondContact O-CD 3.23Å |
| 169 | Q | 40.6 | Very low | 43.9 | Very low | 125 Ų | 125 | 109.9 Ų | 109.9 | 58% | 0.584 | 58% | 0.58 | S | S | * | * | trans | -67 | 123.7 | 168.3 | -64.2 | -142.8 | -64.8 | 0 | 0 | 109.4 | S166 K171 | S166-Q169 PolarHBondContact O-N 3.17Å; S166-Q169 WeakPolarHBondContact OG-CG 3.34Å; Q169-K171 PolarHBondContact O-N 2.95Å | ||
| 170 | P | 36 | Very low | 42.6 | Very low | 83 Ų | 83 | 117.1 Ų | 117.1 | 54% | 0.539 | 61% | 0.613 | S | S | . | * | trans | -55.9 | 129.4 | 165.2 | -15.3 | 28.1 | 0 | 0 | 0 | 107.2 | N168 H172 | N168-P170 VanDerWaalsContact O-CD 3.3Å; N168-P170 WeakPolarHBondContact O-CD 3.23Å; P170-H172 PolarHBondContact O-N 2.82Å | ||
| 171 | K | 31.8 | Very low | 42.1 | Very low | 193 Ų | 193 | 123.5 Ų | 123.5 | 84% | 0.839 | 63% | 0.63 | S | S | * | * | trans | -50.1 | 115.5 | 177.3 | -64.9 | 175.7 | -178.9 | 175.6 | 0 | 108 | Q169 S173 | Q169-K171 PolarHBondContact O-N 2.95Å; K171-S173 PolarHBondContact O-N 2.83Å | ||
| 172 | H | 29.4 | Very low | 41.8 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 89% | 0.889 | 69% | 0.69 | S | S | * | * | trans | -60.5 | 97.5 | 161 | -123.8 | -70.4 | 0 | 0 | 0 | 105.9 | P170 | P170-H172 PolarHBondContact O-N 2.82Š| ||
| 173 | S | 29.9 | Very low | 41 | Very low | 88 Ų | 88 | 140 Ų | 140 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | trans | -72.8 | 124.6 | 167.8 | -65 | 0 | 0 | 0 | 0 | 106.6 | K171 E175 | K171-S173 PolarHBondContact O-N 2.83Å; S173-E175 PolarHBondContact O-N 2.89Å; S173-E175 VanDerWaalsContact O-N 3.11Å | ||
| 174 | P | 34.1 | Very low | 39.9 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | trans | -72.7 | 103.2 | 173.6 | 28 | -28.7 | 0 | 0 | 0 | 108.4 | L176 | P174-L176 PolarHBondContact O-N 2.85Š| ||
| 175 | E | 31.9 | Very low | 38.7 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -68.4 | 105.7 | 158.1 | -75.5 | 176.4 | 121.6 | 0 | 0 | 106.4 | S173 | S173-E175 PolarHBondContact O-N 2.89Å; S173-E175 VanDerWaalsContact O-N 3.11Å | ||
| 176 | L | 31.1 | Very low | 37.8 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | 53.2 | 86.2 | 69.5 | -109.2 | 139.4 | 0 | 0 | 0 | 113.1 | P174 | P174-L176 PolarHBondContact O-N 2.85Š| |||
| 177 | H | 33.2 | Very low | 37 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | 159.1 | 108.9 | 125 | -97.2 | 72 | 0 | 0 | 0 | 111.5 | |||||
| 178 | Q | 35.5 | Very low | 36.1 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -131.2 | 79.2 | 142.7 | -76.9 | -177.9 | -22.3 | 0 | 0 | 104.6 | ||||
| 179 | S | 41.7 | Very low | 35.5 | Very low | 86 Ų | 86 | 157.6 Ų | 157.6 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | 63.1 | 100.1 | 97.1 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | E181 | S179-E181 PolarHBondContact O-N 3.48Š| |||
| 180 | E | 31.8 | Very low | 35.1 | Very low | 199 Ų | 199 | 160.1 Ų | 160.1 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -50.2 | 124 | 160.2 | -67.2 | 164.3 | 129.3 | 0 | 0 | 110 | ||||
| 181 | E | 42.4 | Very low | 35 | Very low | 184 Ų | 184 | 166.5 Ų | 166.5 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -128.3 | 107.5 | 155.7 | -77.1 | -168.9 | 120.5 | 0 | 0 | 107.7 | S179 | S179-E181 PolarHBondContact O-N 3.48Š| ||
| 182 | L | 47.6 | Very low | 35.3 | Very low | 255 Ų | 255 | 164.1 Ų | 164.1 | 100% | 1.335 | 84% | 0.841 | S | S | * | * | trans | 20 | 0 | 155.9 | -78.5 | 140.6 | 0 | 0 | 0 | 119.9 |
Retrieved 182 of 182 residues in 106.8 ms
(Link to these results)