| 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 | 95.4 | Very high | 98.2 | Very high | 119 Ų | 119 | 33.3 Ų | 33.3 | 59% | 0.586 | 17% | 0.166 | S | C | * | . | 0 | 129.1 | 0 | -172.7 | 55.4 | 76.2 | 0 | 0 | 108 | W31 D32 Y81 | M1-W31 PolarHBondContact SD-N 3.43Å; M1-D32 HydrophobicContact CG-CB 4.2Å; M1-D32 WeakPolarHBondContact CG-OD2 3.45Å; M1-D32 HydrophobicContact SD-CB 4.46Å; M1-Y81 HydrophobicContact CG-CE1 4.05Å | |||
| 2 | K | 97.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 32.6 Ų | 32.6 | 36% | 0.357 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 147.3 | 177.7 | -69.8 | 176.7 | -178.5 | 164 | 0 | 109.9 | E30 W31 D32 N86 | K2-E30 PolarHBondContact N-O 3Å; K2-W31 HydrophobicContact CB-CD2 3.58Å; K2-W31 HydrophobicContact CB-CE3 3.67Å; K2-W31 HydrophobicContact CB-CG 4.07Å; K2-W31 HydrophobicContact CB-CH2 4.27Å; K2-W31 HydrophobicContact CB-CZ2 4.18Å; K2-W31 HydrophobicContact CB-CZ3 4.02Å; K2-W31 HydrophobicContact CD-CD2 4.17Å; K2-W31 VanDerWaalsContact CD-CE2 3.48Å; K2-W31 HydrophobicContact CD-CH2 4.1Å; K2-W31 HydrophobicContact CD-CZ2 3.46Å; K2-W31 VanDerWaalsContact CD-CZ2 3.46Å; K2-W31 HydrophobicContact CG-CZ2 4.43Å; K2-W31 CarbonylContact O-C 3.55Å; K2-W31 WeakPolarHBondContact O-CA 3.35Å; K2-D32 PolarHBondContact O-N 3.11Å; K2-N86 WeakPolarHBondContact CA-OD1 3.31Å; K2-N86 HydrophobicContact CB-CB 4.48Å; K2-N86 VanDerWaalsContact CB-OD1 3.25Å; K2-N86 WeakPolarHBondContact CB-OD1 3.5Å |
| 3 | L | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.6 | -178.9 | -179 | 147.7 | 0 | 0 | 0 | 111.6 | F5 D32 F34 V77 Y81 I85 N86 I87 | L3-F5 HydrophobicContact CD2-CD1 3.96Å; L3-D32 WeakPolarHBondContact CA-O 3.12Å; L3-F34 HydrophobicContact CD1-CD2 3.9Å; L3-F34 HydrophobicContact CD1-CE2 3.76Å; L3-F34 HydrophobicContact CG-CD2 4.06Å; L3-F34 HydrophobicContact CG-CE2 4.27Å; L3-V77 HydrophobicContact CD1-CG2 4.09Å; L3-Y81 HydrophobicContact CB-CD1 3.74Å; L3-Y81 HydrophobicContact CB-CE1 4.11Å; L3-Y81 HydrophobicContact CB-CG 4.07Å; L3-Y81 HydrophobicContact CD1-CD1 3.84Å; L3-Y81 HydrophobicContact CD1-CD2 3.35Å; L3-Y81 HydrophobicContact CD1-CE1 3.94Å; L3-Y81 HydrophobicContact CD1-CE2 3.48Å; L3-Y81 VanDerWaalsContact CD1-CE2 3.48Å; L3-Y81 HydrophobicContact CD1-CG 3.55Å; L3-Y81 HydrophobicContact CG-CD1 4.39Å; L3-Y81 HydrophobicContact CG-CG 4.45Å; L3-I85 HydrophobicContact CD2-CB 4.1Å; L3-I85 HydrophobicContact CD2-CG1 3.86Å; L3-I85 HydrophobicContact CD2-CG2 3.87Å; L3-N86 PolarHBondContact N-OD1 3.27Å; L3-N86 WeakPolarHBondContact O-CA 3.01Å; L3-N86 WeakPolarHBondContact O-CB 2.95Å; L3-N86 PolarHBondContact O-N 2.92Å; L3-I87 PolarHBondContact O-N 3.08Å; L3-I87 VanDerWaalsContact O-N 3.08Å |
| 4 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L21 W31 D32 V33 F34 I87 | A4-L21 HydrophobicContact CB-CD1 4.39Å; A4-W31 HydrophobicContact CB-CE3 4.14Å; A4-W31 HydrophobicContact CB-CZ3 4.21Å; A4-D32 PolarHBondContact N-O 3.32Å; A4-V33 HydrophobicContact CB-CG1 4.5Å; A4-V33 HydrophobicContact CB-CG2 4.34Å; A4-V33 CarbonylContact O-C 3.55Å; A4-V33 WeakPolarHBondContact O-CA 3.21Å; A4-F34 PolarHBondContact O-N 3.29Å; A4-I87 CarbonylContact C-O 3.52Å; A4-I87 VanDerWaalsContact CA-O 3.31Å; A4-I87 WeakPolarHBondContact CA-O 3.36Å; A4-I87 HydrophobicContact CB-CB 3.73Å; A4-I87 HydrophobicContact CB-CD1 4.38Å; A4-I87 HydrophobicContact CB-CG1 4.49Å; A4-I87 HydrophobicContact CB-CG2 4.22Å |
| 5 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.1 | 168.6 | 77.7 | -96.7 | 0 | 0 | 0 | 112.1 | L3 T7 F34 T36 F73 I85 I87 A88 V89 F122 F126 | L3-F5 HydrophobicContact CD2-CD1 3.96Å; F5-T7 HydrophobicContact CD2-CG2 4.04Å; F5-T7 HydrophobicContact CE2-CG2 3.65Å; F5-F34 WeakPolarHBondContact CA-O 2.94Å; F5-F34 HydrophobicContact CB-CB 3.89Å; F5-T36 HydrophobicContact CB-CG2 4.36Å; F5-F73 HydrophobicContact CB-CZ 3.9Å; F5-F73 AromaticContact CD1-CE1 3.91Å; F5-F73 HydrophobicContact CD1-CE1 3.91Å; F5-F73 AromaticContact CD1-CZ 3.79Å; F5-F73 HydrophobicContact CD1-CZ 3.79Å; F5-F73 HydrophobicContact CD2-CE1 4.37Å; F5-F73 HydrophobicContact CD2-CZ 4.28Å; F5-F73 HydrophobicContact CE1-CE1 4.01Å; F5-F73 HydrophobicContact CE1-CZ 4.36Å; F5-F73 HydrophobicContact CG-CE1 4.08Å; F5-F73 AromaticContact CG-CZ 3.72Å; F5-F73 HydrophobicContact CG-CZ 3.72Å; F5-F73 HydrophobicContact CZ-CE1 4.33Å; F5-I85 HydrophobicContact CD1-CG2 3.91Å; F5-I85 HydrophobicContact CE1-CD1 4.08Å; F5-I85 HydrophobicContact CE1-CG1 4.37Å; F5-I85 HydrophobicContact CE1-CG2 3.73Å; F5-I87 PolarHBondContact N-O 2.89Å; F5-A88 HydrophobicContact CD1-CB 4.34Å; F5-A88 HydrophobicContact CE1-CB 3.55Å; F5-A88 HydrophobicContact CE2-CB 4.28Å; F5-A88 HydrophobicContact CZ-CB 3.5Å; F5-V89 PolarHBondContact O-N 2.83Å; F5-F122 AromaticContact CE2-CE1 3.64Å; F5-F122 HydrophobicContact CE2-CE1 3.64Å; F5-F122 HydrophobicContact CE2-CZ 4.12Å; F5-F122 AromaticContact CZ-CE1 3.75Å; F5-F122 HydrophobicContact CZ-CE1 3.75Å; F5-F122 AromaticContact CZ-CZ 4Å; F5-F122 HydrophobicContact CZ-CZ 4Å; F5-F126 AromaticContact CZ-CD1 3.99Å; F5-F126 HydrophobicContact CZ-CD1 3.99Å; F5-F126 AromaticContact CZ-CE1 3.97Å; F5-F126 HydrophobicContact CZ-CE1 3.97Å |
| 6 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 121.4 | 175.2 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | S9 I17 I18 L21 F34 T36 V89 N91 | V6-S9 WeakPolarHBondContact O-CB 3.35Å; V6-S9 PolarHBondContact O-OG 3.22Å; V6-I17 HydrophobicContact CG1-CB 4.46Å; V6-I17 HydrophobicContact CG1-CG2 4.42Å; V6-I17 HydrophobicContact CG2-CB 4.4Å; V6-I17 HydrophobicContact CG2-CG2 3.73Å; V6-I18 HydrophobicContact CB-CD1 3.77Å; V6-I18 HydrophobicContact CB-CG1 4.02Å; V6-I18 HydrophobicContact CG2-CD1 3.48Å; V6-I18 VanDerWaalsContact CG2-CD1 3.48Å; V6-I18 HydrophobicContact CG2-CG1 3.93Å; V6-L21 HydrophobicContact CG2-CD1 3.94Å; V6-F34 PolarHBondContact N-O 3.06Å; V6-T36 PolarHBondContact O-N 3.19Å; V6-T36 PolarHBondContact O-OG1 3.08Å; V6-V89 WeakPolarHBondContact CA-O 3.45Å; V6-V89 HydrophobicContact CB-CB 4.31Å; V6-V89 HydrophobicContact CG1-CB 4.06Å; V6-V89 HydrophobicContact CG1-CG1 4.15Å; V6-V89 HydrophobicContact CG2-CB 4.04Å; V6-V89 HydrophobicContact CG2-CG2 4.23Å; V6-N91 HydrophobicContact CG1-CB 3.89Å |
| 7 | T | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 142 | 177 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | F5 S9 T36 L62 I64 V89 N90 N91 A92 F122 | F5-T7 HydrophobicContact CD2-CG2 4.04Å; F5-T7 HydrophobicContact CE2-CG2 3.65Å; T7-S9 PolarHBondContact O-N 3.36Å; T7-T36 WeakPolarHBondContact CA-OG1 3.4Å; T7-L62 HydrophobicContact CG2-CD2 3.76Å; T7-I64 HydrophobicContact CG2-CG2 4.11Å; T7-V89 PolarHBondContact N-O 3.48Å; T7-N90 WeakPolarHBondContact OG1-CA 3.37Å; T7-N91 CarbonylContact O-C 3.52Å; T7-N91 VanDerWaalsContact O-CB 3.3Å; T7-N91 WeakPolarHBondContact O-CB 3.4Å; T7-N91 PolarHBondContact O-ND2 3Å; T7-N91 PolarHBondContact OG1-N 3.12Å; T7-A92 PolarHBondContact O-N 3.15Å; T7-A92 VanDerWaalsContact O-N 3.13Å; T7-A92 WeakPolarHBondContact OG1-CB 3.33Å; T7-A92 PolarHBondContact OG1-N 3.21Å; T7-F122 HydrophobicContact CG2-CD1 4.32Å; T7-F122 HydrophobicContact CG2-CE1 3.82Å |
| 8 | G | 98.6 | Very high | 98.3 | Very high | 23 Ų | 23 | 25 Ų | 25 | 24% | 0.237 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T36 N91 | G8-T36 PolarHBondContact N-O 2.94Å; G8-N91 PolarHBondContact O-ND2 2.63Å |
| 9 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -103.5 | 10.4 | -169.8 | 48.3 | 0 | 0 | 0 | 0 | 114.8 | V6 T7 K11 F15 L35 T36 | V6-S9 WeakPolarHBondContact O-CB 3.35Å; V6-S9 PolarHBondContact O-OG 3.22Å; T7-S9 PolarHBondContact O-N 3.36Å; S9-K11 PolarHBondContact O-N 3.28Å; S9-F15 VanDerWaalsContact O-CA 3.25Å; S9-F15 WeakPolarHBondContact O-CA 3.4Å; S9-F15 WeakPolarHBondContact O-CB 3.46Å; S9-F15 PolarHBondContact O-N 3.36Å; S9-L35 WeakPolarHBondContact OG-CA 3.44Å; S9-T36 PolarHBondContact N-O 3.06Å; S9-T36 PolarHBondContact OG-N 3.32Å; S9-T36 PolarHBondContact OG-O 2.66Å; S9-T36 VanDerWaalsContact OG-O 3.11Å | ||
| 10 | N | 98.4 | Very high | 98.3 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -69.8 | -16.3 | 174 | 69.3 | -72.4 | 0 | 0 | 0 | 113.9 | A37 L42 A46 | N10-A37 HydrophobicContact CB-CB 3.86Å; N10-L42 HydrophobicContact CB-CB 4.43Å; N10-A46 HydrophobicContact CB-CB 4.12Å; N10-A46 WeakPolarHBondContact O-CB 3.42Å |
| 11 | K | 97.9 | Very high | 98.4 | Very high | 111 Ų | 111 | 25.6 Ų | 25.6 | 48% | 0.483 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -156.4 | 176.4 | 178.2 | 66.5 | 180 | -178.7 | 178 | 0 | 112.6 | S9 F15 D232 | S9-K11 PolarHBondContact O-N 3.28Å; K11-F15 PolarHBondContact O-N 3.05Å; K11-D232 WeakPolarHBondContact CE-OD2 3.42Å; K11-D232 IonicContact NZ-OD2 3.32Å; K11-D232 PolarHBondContact NZ-OD2 2.96Å |
| 12 | G | 97.9 | Very high | 98.5 | Very high | 25 Ų | 25 | 20.2 Ų | 20.2 | 26% | 0.258 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | 60.8 | -141.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | G14 F15 S16 | G12-G14 PolarHBondContact O-N 2.83Å; G12-F15 PolarHBondContact O-N 2.86Å; G12-S16 PolarHBondContact O-N 2.79Å |
| 13 | I | 98.4 | Very high | 98.5 | Very high | 23 Ų | 23 | 22.2 Ų | 22.2 | 12% | 0.118 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | -176.6 | -58.9 | 162.3 | 0 | 0 | 0 | 111.1 | F15 S16 I17 M139 P226 V229 T231 A246 | I13-F15 VanDerWaalsContact C-N 3.3Å; I13-F15 PolarHBondContact O-N 3.23Å; I13-S16 PolarHBondContact O-N 3.14Å; I13-S16 VanDerWaalsContact O-N 3.08Å; I13-I17 HydrophobicContact CG2-CD1 3.82Å; I13-I17 HydrophobicContact CG2-CG1 4.18Å; I13-I17 WeakPolarHBondContact O-CG1 3.05Å; I13-I17 PolarHBondContact O-N 2.92Å; I13-M139 HydrophobicContact CG2-CE 3.95Å; I13-P226 HydrophobicContact CD1-CB 3.74Å; I13-P226 HydrophobicContact CD1-CG 3.62Å; I13-V229 HydrophobicContact CD1-CB 4.02Å; I13-V229 HydrophobicContact CD1-CG1 4.3Å; I13-V229 HydrophobicContact CD1-CG2 3.8Å; I13-V229 HydrophobicContact CG1-CB 4.18Å; I13-V229 HydrophobicContact CG1-CG1 3.89Å; I13-V229 HydrophobicContact CG1-CG2 4.15Å; I13-T231 HydrophobicContact CG1-CG2 4.31Å; I13-A246 HydrophobicContact CG2-CB 4.39Å |
| 14 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.2 | -40.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | G12 I17 I18 N91 | G12-G14 PolarHBondContact O-N 2.83Å; G14-I17 PolarHBondContact O-N 2.85Å; G14-I18 WeakPolarHBondContact O-CG1 3.46Å; G14-I18 PolarHBondContact O-N 3.36Å; G14-N91 WeakPolarHBondContact CA-ND2 3.47Å; G14-N91 PolarHBondContact N-OD1 3.05Å |
| 15 | F | 98.7 | Very high | 98.3 | Very high | 27 Ų | 27 | 27.7 Ų | 27.7 | 12% | 0.118 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 174.4 | -176 | -87.2 | 0 | 0 | 0 | 111.9 | S9 K11 G12 I13 I17 I18 E19 L35 A46 K49 L50 | S9-F15 VanDerWaalsContact O-CA 3.25Å; S9-F15 WeakPolarHBondContact O-CA 3.4Å; S9-F15 WeakPolarHBondContact O-CB 3.46Å; S9-F15 PolarHBondContact O-N 3.36Å; K11-F15 PolarHBondContact O-N 3.05Å; G12-F15 PolarHBondContact O-N 2.86Å; I13-F15 VanDerWaalsContact C-N 3.3Å; I13-F15 PolarHBondContact O-N 3.23Å; F15-I17 VanDerWaalsContact C-N 3.31Å; F15-I17 PolarHBondContact O-N 3.45Å; F15-I18 WeakPolarHBondContact O-CB 3.48Å; F15-I18 PolarHBondContact O-N 2.89Å; F15-E19 PolarHBondContact O-N 2.73Å; F15-L35 HydrophobicContact CD2-CD1 4.38Å; F15-A46 HydrophobicContact CD2-CB 4Å; F15-A46 HydrophobicContact CE2-CB 3.94Å; F15-A46 WeakPolarHBondContact CE2-O 3.33Å; F15-K49 HydrophobicContact CE2-CB 4.28Å; F15-K49 HydrophobicContact CZ-CB 4.02Å; F15-L50 HydrophobicContact CD2-CD1 4.48Å; F15-L50 HydrophobicContact CE1-CD2 4.1Å; F15-L50 HydrophobicContact CE1-CG 4.49Å; F15-L50 HydrophobicContact CE2-CD1 3.91Å; F15-L50 HydrophobicContact CE2-CD2 4.23Å; F15-L50 HydrophobicContact CE2-CG 3.75Å; F15-L50 HydrophobicContact CZ-CD1 4.23Å; F15-L50 HydrophobicContact CZ-CD2 3.7Å; F15-L50 HydrophobicContact CZ-CG 3.63Å |
| 16 | S | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.063 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.9 | -28.6 | 177.3 | -69.1 | 0 | 0 | 0 | 0 | 113.4 | G12 I13 K20 T242 | G12-S16 PolarHBondContact O-N 2.79Å; I13-S16 PolarHBondContact O-N 3.14Å; I13-S16 VanDerWaalsContact O-N 3.08Å; S16-K20 WeakPolarHBondContact O-CG 3.49Å; S16-K20 PolarHBondContact O-N 2.74Å; S16-K20 VanDerWaalsContact O-N 3.08Å; S16-T242 WeakPolarHBondContact CB-O 3.47Å; S16-T242 VanDerWaalsContact OG-CB 3.28Å; S16-T242 WeakPolarHBondContact OG-CB 3.44Å; S16-T242 PolarHBondContact OG-OG1 3.23Å |
| 17 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.3 | -47.7 | 171 | -65.2 | 167.3 | 0 | 0 | 0 | 110 | V6 I13 G14 F15 E19 K20 L21 V89 A246 P249 | V6-I17 HydrophobicContact CG1-CB 4.46Å; V6-I17 HydrophobicContact CG1-CG2 4.42Å; V6-I17 HydrophobicContact CG2-CB 4.4Å; V6-I17 HydrophobicContact CG2-CG2 3.73Å; I13-I17 HydrophobicContact CG2-CD1 3.82Å; I13-I17 HydrophobicContact CG2-CG1 4.18Å; I13-I17 WeakPolarHBondContact O-CG1 3.05Å; I13-I17 PolarHBondContact O-N 2.92Å; G14-I17 PolarHBondContact O-N 2.85Å; F15-I17 VanDerWaalsContact C-N 3.31Å; F15-I17 PolarHBondContact O-N 3.45Å; I17-E19 VanDerWaalsContact C-N 3.32Å; I17-E19 PolarHBondContact O-N 2.64Å; I17-K20 PolarHBondContact O-N 3.21Å; I17-L21 HydrophobicContact CG2-CD1 3.97Å; I17-L21 HydrophobicContact CG2-CG 4.35Å; I17-L21 WeakPolarHBondContact O-CG 3.32Å; I17-L21 PolarHBondContact O-N 2.93Å; I17-V89 HydrophobicContact CD1-CG1 4.05Å; I17-V89 HydrophobicContact CG2-CG2 4.38Å; I17-A246 HydrophobicContact CG1-CB 3.68Å; I17-P249 HydrophobicContact CD1-CB 3.78Å; I17-P249 HydrophobicContact CD1-CG 3.6Å; I17-P249 HydrophobicContact CG1-CB 4.41Å; I17-P249 HydrophobicContact CG1-CG 4Å |
| 18 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.5 | -48.6 | 174.9 | -70.4 | -68.7 | 0 | 0 | 0 | 110.6 | V6 G14 F15 K20 L21 L22 V33 F34 L35 L50 V57 | V6-I18 HydrophobicContact CB-CD1 3.77Å; V6-I18 HydrophobicContact CB-CG1 4.02Å; V6-I18 HydrophobicContact CG2-CD1 3.48Å; V6-I18 VanDerWaalsContact CG2-CD1 3.48Å; V6-I18 HydrophobicContact CG2-CG1 3.93Å; G14-I18 WeakPolarHBondContact O-CG1 3.46Å; G14-I18 PolarHBondContact O-N 3.36Å; F15-I18 WeakPolarHBondContact O-CB 3.48Å; F15-I18 PolarHBondContact O-N 2.89Å; I18-K20 VanDerWaalsContact C-N 3.32Å; I18-K20 PolarHBondContact O-N 3.18Å; I18-L21 PolarHBondContact O-N 3.21Å; I18-L22 HydrophobicContact CG2-CD1 3.63Å; I18-L22 HydrophobicContact CG2-CG 4.27Å; I18-L22 WeakPolarHBondContact O-CB 3.49Å; I18-L22 VanDerWaalsContact O-CG 3.32Å; I18-L22 WeakPolarHBondContact O-CG 3.15Å; I18-L22 PolarHBondContact O-N 3.28Å; I18-V33 HydrophobicContact CD1-CG1 3.66Å; I18-V33 HydrophobicContact CG2-CG1 4.44Å; I18-F34 VanDerWaalsContact CD1-O 3.3Å; I18-F34 WeakPolarHBondContact CD1-O 3.39Å; I18-L35 HydrophobicContact CD1-CB 4.39Å; I18-L35 HydrophobicContact CG1-CB 4.42Å; I18-L50 HydrophobicContact CG2-CD1 3.48Å; I18-L50 VanDerWaalsContact CG2-CD1 3.48Å; I18-V57 HydrophobicContact CG2-CG2 3.72Å |
| 19 | E | 98.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 13% | 0.131 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -41.2 | 179.4 | -174.3 | 172.2 | -172.6 | 0 | 0 | 112.3 | F15 I17 K23 L50 K53 L55 | F15-E19 PolarHBondContact O-N 2.73Å; I17-E19 VanDerWaalsContact C-N 3.32Å; I17-E19 PolarHBondContact O-N 2.64Å; E19-K23 HydrophobicContact CG-CD 4.3Å; E19-K23 WeakPolarHBondContact O-CB 3.29Å; E19-K23 VanDerWaalsContact O-CG 3.31Å; E19-K23 WeakPolarHBondContact O-CG 3.38Å; E19-K23 PolarHBondContact O-N 2.79Å; E19-K23 WeakPolarHBondContact OE1-CE 3.38Å; E19-K23 IonicContact OE1-NZ 2.83Å; E19-K23 PolarHBondContact OE1-NZ 3.08Å; E19-L50 HydrophobicContact CB-CD2 4Å; E19-L50 HydrophobicContact CG-CD2 4.23Å; E19-K53 IonicContact OE1-NZ 3.62Å; E19-K53 PolarHBondContact OE1-NZ 3.43Å; E19-K53 IonicContact OE2-NZ 2.65Å; E19-K53 PolarHBondContact OE2-NZ 2.83Å; E19-L55 HydrophobicContact CG-CD1 3.81Å |
| 20 | K | 98.5 | Very high | 96.6 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 26% | 0.261 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.3 | -42.4 | 176.1 | -73.9 | 176.9 | -179.9 | -78.9 | 0 | 112.4 | S16 I17 I18 K23 L24 G243 A246 F250 | S16-K20 WeakPolarHBondContact O-CG 3.49Å; S16-K20 PolarHBondContact O-N 2.74Å; S16-K20 VanDerWaalsContact O-N 3.08Å; I17-K20 PolarHBondContact O-N 3.21Å; I18-K20 VanDerWaalsContact C-N 3.32Å; I18-K20 PolarHBondContact O-N 3.18Å; K20-K23 PolarHBondContact O-N 2.96Å; K20-L24 PolarHBondContact O-N 3.21Å; K20-G243 WeakPolarHBondContact CE-O 3.34Å; K20-A246 HydrophobicContact CD-CB 3.96Å; K20-F250 HydrophobicContact CB-CB 4.49Å; K20-F250 HydrophobicContact CB-CD2 3.49Å; K20-F250 VanDerWaalsContact CB-CD2 3.49Å; K20-F250 HydrophobicContact CB-CE2 3.71Å; K20-F250 HydrophobicContact CB-CG 3.92Å; K20-F250 HydrophobicContact CB-CZ 4.3Å; K20-F250 HydrophobicContact CD-CB 3.9Å; K20-F250 HydrophobicContact CD-CD1 4.23Å; K20-F250 HydrophobicContact CD-CD2 4.36Å; K20-F250 HydrophobicContact CD-CG 3.91Å; K20-F250 WeakPolarHBondContact O-CE2 3.48Å |
| 21 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.1 | -71.5 | 171.7 | 0 | 0 | 0 | 111.4 | A4 V6 I17 I18 L24 Y25 V33 I87 F250 T254 | A4-L21 HydrophobicContact CB-CD1 4.39Å; V6-L21 HydrophobicContact CG2-CD1 3.94Å; I17-L21 HydrophobicContact CG2-CD1 3.97Å; I17-L21 HydrophobicContact CG2-CG 4.35Å; I17-L21 WeakPolarHBondContact O-CG 3.32Å; I17-L21 PolarHBondContact O-N 2.93Å; I18-L21 PolarHBondContact O-N 3.21Å; L21-L24 PolarHBondContact O-N 3.34Å; L21-Y25 HydrophobicContact CD2-CD2 4.4Å; L21-Y25 HydrophobicContact CD2-CE2 3.92Å; L21-Y25 WeakPolarHBondContact O-CD2 3.39Å; L21-Y25 PolarHBondContact O-N 3.39Å; L21-V33 HydrophobicContact CB-CG1 4.06Å; L21-V33 HydrophobicContact CB-CG2 4.31Å; L21-V33 HydrophobicContact CD1-CG1 4.3Å; L21-I87 HydrophobicContact CD2-CD1 4.02Å; L21-F250 HydrophobicContact CD2-CD2 4.07Å; L21-F250 HydrophobicContact CD2-CE2 4.13Å; L21-F250 HydrophobicContact CG-CD2 4.33Å; L21-T254 HydrophobicContact CD2-CG2 3.89Å |
| 22 | L | 97.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 175.7 | -70.5 | 168.1 | 0 | 0 | 0 | 111 | I18 L24 Y25 H26 V33 L50 L55 D56 V57 | I18-L22 HydrophobicContact CG2-CD1 3.63Å; I18-L22 HydrophobicContact CG2-CG 4.27Å; I18-L22 WeakPolarHBondContact O-CB 3.49Å; I18-L22 VanDerWaalsContact O-CG 3.32Å; I18-L22 WeakPolarHBondContact O-CG 3.15Å; I18-L22 PolarHBondContact O-N 3.28Å; L22-L24 PolarHBondContact O-N 3.02Å; L22-Y25 PolarHBondContact O-N 2.95Å; L22-H26 WeakPolarHBondContact O-CA 3.22Å; L22-H26 WeakPolarHBondContact O-CB 3.4Å; L22-H26 PolarHBondContact O-N 2.9Å; L22-V33 HydrophobicContact CD2-CB 3.71Å; L22-V33 HydrophobicContact CD2-CG1 4.28Å; L22-V33 HydrophobicContact CD2-CG2 3.94Å; L22-V33 HydrophobicContact CG-CB 4.25Å; L22-V33 HydrophobicContact CG-CG1 4.28Å; L22-V33 HydrophobicContact CG-CG2 4.49Å; L22-L50 HydrophobicContact CD1-CD1 4.11Å; L22-L50 HydrophobicContact CD1-CD2 4.31Å; L22-L55 HydrophobicContact CB-CB 4.24Å; L22-L55 HydrophobicContact CB-CD1 4.39Å; L22-L55 HydrophobicContact CB-CD2 4.16Å; L22-L55 HydrophobicContact CD1-CB 3.95Å; L22-D56 WeakPolarHBondContact CD2-O 3.37Å; L22-V57 HydrophobicContact CD1-CB 3.69Å; L22-V57 HydrophobicContact CD1-CG2 3.87Å; L22-V57 HydrophobicContact CD2-CB 4.3Å; L22-V57 HydrophobicContact CD2-CG2 4.42Å |
| 23 | K | 97.3 | Very high | 96.6 | Very high | 125 Ų | 125 | 45 Ų | 45 | 54% | 0.543 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.2 | -35 | 177.2 | -74.9 | 173.8 | -175.4 | 171.5 | 0 | 112.9 | E19 K20 L55 | E19-K23 HydrophobicContact CG-CD 4.3Å; E19-K23 WeakPolarHBondContact O-CB 3.29Å; E19-K23 VanDerWaalsContact O-CG 3.31Å; E19-K23 WeakPolarHBondContact O-CG 3.38Å; E19-K23 PolarHBondContact O-N 2.79Å; E19-K23 WeakPolarHBondContact OE1-CE 3.38Å; E19-K23 IonicContact OE1-NZ 2.83Å; E19-K23 PolarHBondContact OE1-NZ 3.08Å; K20-K23 PolarHBondContact O-N 2.96Å; K23-L55 HydrophobicContact CG-CD1 4.19Å; K23-L55 HydrophobicContact CG-CD2 4.13Å |
| 24 | L | 97 | Very high | 96.6 | Very high | 78 Ų | 78 | 44.1 Ų | 44.1 | 41% | 0.408 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.5 | -45.4 | 177.8 | -178.4 | 64.1 | 0 | 0 | 0 | 112.7 | K20 L21 L22 F250 T254 | K20-L24 PolarHBondContact O-N 3.21Å; L21-L24 PolarHBondContact O-N 3.34Å; L22-L24 PolarHBondContact O-N 3.02Å; L24-F250 HydrophobicContact CB-CE2 4.28Å; L24-F250 HydrophobicContact CB-CZ 4.14Å; L24-F250 HydrophobicContact CD2-CE2 4.08Å; L24-F250 HydrophobicContact CD2-CZ 3.83Å; L24-F250 HydrophobicContact CG-CZ 4.49Å; L24-T254 HydrophobicContact CD2-CG2 3.63Å |
| 25 | Y | 95.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 44.1 Ų | 44.1 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -105.6 | -17.9 | -166.9 | -63.2 | -52.6 | 0 | 0 | 0 | 115.4 | L21 L22 P27 T28 W31 I87 T254 | L21-Y25 HydrophobicContact CD2-CD2 4.4Å; L21-Y25 HydrophobicContact CD2-CE2 3.92Å; L21-Y25 WeakPolarHBondContact O-CD2 3.39Å; L21-Y25 PolarHBondContact O-N 3.39Å; L22-Y25 PolarHBondContact O-N 2.95Å; Y25-P27 VanDerWaalsContact C-N 3.28Å; Y25-T28 PolarHBondContact O-N 3.42Å; Y25-T28 VanDerWaalsContact O-N 3.08Å; Y25-T28 PolarHBondContact O-OG1 3.02Å; Y25-W31 AromaticContact CD1-CD1 3.59Å; Y25-W31 HydrophobicContact CD1-CD2 4.06Å; Y25-W31 AromaticContact CD1-CE2 3.64Å; Y25-W31 HydrophobicContact CD1-CG 4.02Å; Y25-W31 HydrophobicContact CD1-CZ2 4.23Å; Y25-W31 AromaticContact CD1-NE1 3.32Å; Y25-W31 VanDerWaalsContact CD1-NE1 3.32Å; Y25-W31 AromaticContact CD2-CD2 3.83Å; Y25-W31 HydrophobicContact CD2-CD2 3.83Å; Y25-W31 HydrophobicContact CD2-CE3 4.09Å; Y25-W31 HydrophobicContact CD2-CG 4.05Å; Y25-W31 HydrophobicContact CE1-CD2 4.31Å; Y25-W31 AromaticContact CE1-CE2 3.6Å; Y25-W31 HydrophobicContact CE1-CH2 4.48Å; Y25-W31 AromaticContact CE1-CZ2 3.7Å; Y25-W31 HydrophobicContact CE1-CZ2 3.7Å; Y25-W31 AromaticContact CE1-NE1 3.63Å; Y25-W31 HydrophobicContact CE2-CD2 4.08Å; Y25-W31 HydrophobicContact CE2-CE3 4.13Å; Y25-W31 HydrophobicContact CE2-CH2 4.14Å; Y25-W31 HydrophobicContact CE2-CZ2 4.1Å; Y25-W31 HydrophobicContact CE2-CZ3 4.16Å; Y25-W31 HydrophobicContact CG-CB 4.22Å; Y25-W31 AromaticContact CG-CD1 3.65Å; Y25-W31 AromaticContact CG-CD2 3.81Å; Y25-W31 HydrophobicContact CG-CD2 3.81Å; Y25-W31 AromaticContact CG-CE2 3.9Å; Y25-W31 AromaticContact CG-CG 3.65Å; Y25-W31 HydrophobicContact CG-CG 3.65Å; Y25-W31 AromaticContact CG-NE1 3.79Å; Y25-W31 AromaticContact CZ-CE2 3.81Å; Y25-W31 AromaticContact CZ-CH2 3.95Å; Y25-W31 AromaticContact CZ-CZ2 3.61Å; Y25-I87 HydrophobicContact CE2-CD1 3.84Å; Y25-T254 HydrophobicContact CE2-CG2 4.34Å |
| 26 | H | 89.5 | Confident | 96.6 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 24% | 0.241 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -52.7 | -38.8 | 176.8 | -177.2 | -103.8 | 0 | 0 | 0 | 113.4 | L22 T28 R29 | L22-H26 WeakPolarHBondContact O-CA 3.22Å; L22-H26 WeakPolarHBondContact O-CB 3.4Å; L22-H26 PolarHBondContact O-N 2.9Å; H26-T28 VanDerWaalsContact C-N 3.28Å; H26-T28 PolarHBondContact O-N 3.43Å; H26-R29 PolarHBondContact NE2-NH1 3.47Å; H26-R29 PolarHBondContact O-N 3.29Å |
| 27 | P | 91.5 | Very high | 96.6 | Very high | 100 Ų | 100 | 42.4 Ų | 42.4 | 65% | 0.649 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -61.4 | -30.5 | 178 | -25.5 | 36.2 | 0 | 0 | 0 | 114.8 | Y25 | Y25-P27 VanDerWaalsContact C-N 3.28Š|
| 28 | T | 91.7 | Very high | 96.6 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 43% | 0.429 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -85.2 | -20.7 | -176.3 | 73.3 | 0 | 0 | 0 | 0 | 112.9 | Y25 H26 E30 | Y25-T28 PolarHBondContact O-N 3.42Å; Y25-T28 VanDerWaalsContact O-N 3.08Å; Y25-T28 PolarHBondContact O-OG1 3.02Å; H26-T28 VanDerWaalsContact C-N 3.28Å; H26-T28 PolarHBondContact O-N 3.43Å; T28-E30 PolarHBondContact O-N 3.44Å; T28-E30 PolarHBondContact OG1-N 3.23Å |
| 29 | R | 90.1 | Very high | 96.6 | Very high | 161 Ų | 161 | 54.4 Ų | 54.4 | 61% | 0.608 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 18.3 | -173.6 | -56.5 | -68.9 | -169.6 | 173.8 | -2.5 | 114 | H26 | H26-R29 PolarHBondContact NE2-NH1 3.47Å; H26-R29 PolarHBondContact O-N 3.29Å |
| 30 | E | 95.7 | Very high | 96.6 | Very high | 106 Ų | 106 | 57.2 Ų | 57.2 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | trans | -95.7 | -2.5 | 179.4 | -62.8 | -175 | 159 | 0 | 0 | 113.3 | K2 T28 | K2-E30 PolarHBondContact N-O 3Å; T28-E30 PolarHBondContact O-N 3.44Å; T28-E30 PolarHBondContact OG1-N 3.23Å | ||
| 31 | W | 97.4 | Very high | 96.6 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.7 | -173.2 | -69.7 | 77.3 | 0 | 0 | 0 | 112.3 | M1 K2 A4 Y25 N86 I87 | M1-W31 PolarHBondContact SD-N 3.43Å; K2-W31 HydrophobicContact CB-CD2 3.58Å; K2-W31 HydrophobicContact CB-CE3 3.67Å; K2-W31 HydrophobicContact CB-CG 4.07Å; K2-W31 HydrophobicContact CB-CH2 4.27Å; K2-W31 HydrophobicContact CB-CZ2 4.18Å; K2-W31 HydrophobicContact CB-CZ3 4.02Å; K2-W31 HydrophobicContact CD-CD2 4.17Å; K2-W31 VanDerWaalsContact CD-CE2 3.48Å; K2-W31 HydrophobicContact CD-CH2 4.1Å; K2-W31 HydrophobicContact CD-CZ2 3.46Å; K2-W31 VanDerWaalsContact CD-CZ2 3.46Å; K2-W31 HydrophobicContact CG-CZ2 4.43Å; K2-W31 CarbonylContact O-C 3.55Å; K2-W31 WeakPolarHBondContact O-CA 3.35Å; A4-W31 HydrophobicContact CB-CE3 4.14Å; A4-W31 HydrophobicContact CB-CZ3 4.21Å; Y25-W31 AromaticContact CD1-CD1 3.59Å; Y25-W31 HydrophobicContact CD1-CD2 4.06Å; Y25-W31 AromaticContact CD1-CE2 3.64Å; Y25-W31 HydrophobicContact CD1-CG 4.02Å; Y25-W31 HydrophobicContact CD1-CZ2 4.23Å; Y25-W31 AromaticContact CD1-NE1 3.32Å; Y25-W31 VanDerWaalsContact CD1-NE1 3.32Å; Y25-W31 AromaticContact CD2-CD2 3.83Å; Y25-W31 HydrophobicContact CD2-CD2 3.83Å; Y25-W31 HydrophobicContact CD2-CE3 4.09Å; Y25-W31 HydrophobicContact CD2-CG 4.05Å; Y25-W31 HydrophobicContact CE1-CD2 4.31Å; Y25-W31 AromaticContact CE1-CE2 3.6Å; Y25-W31 HydrophobicContact CE1-CH2 4.48Å; Y25-W31 AromaticContact CE1-CZ2 3.7Å; Y25-W31 HydrophobicContact CE1-CZ2 3.7Å; Y25-W31 AromaticContact CE1-NE1 3.63Å; Y25-W31 HydrophobicContact CE2-CD2 4.08Å; Y25-W31 HydrophobicContact CE2-CE3 4.13Å; Y25-W31 HydrophobicContact CE2-CH2 4.14Å; Y25-W31 HydrophobicContact CE2-CZ2 4.1Å; Y25-W31 HydrophobicContact CE2-CZ3 4.16Å; Y25-W31 HydrophobicContact CG-CB 4.22Å; Y25-W31 AromaticContact CG-CD1 3.65Å; Y25-W31 AromaticContact CG-CD2 3.81Å; Y25-W31 HydrophobicContact CG-CD2 3.81Å; Y25-W31 AromaticContact CG-CE2 3.9Å; Y25-W31 AromaticContact CG-CG 3.65Å; Y25-W31 HydrophobicContact CG-CG 3.65Å; Y25-W31 AromaticContact CG-NE1 3.79Å; Y25-W31 AromaticContact CZ-CE2 3.81Å; Y25-W31 AromaticContact CZ-CH2 3.95Å; Y25-W31 AromaticContact CZ-CZ2 3.61Å; W31-N86 HydrophobicContact CH2-CB 3.8Å; W31-N86 HydrophobicContact CZ3-CB 3.7Å; W31-I87 HydrophobicContact CH2-CD1 3.72Å; W31-I87 HydrophobicContact CH2-CG1 4.05Å; W31-I87 HydrophobicContact CZ3-CD1 3.58Å; W31-I87 HydrophobicContact CZ3-CG1 3.85Å |
| 32 | D | 97.7 | Very high | 96.6 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 112.6 | 163.4 | -74.6 | -28.9 | 0 | 0 | 0 | 109 | M1 K2 L3 A4 F34 K58 Y81 | M1-D32 HydrophobicContact CG-CB 4.2Å; M1-D32 WeakPolarHBondContact CG-OD2 3.45Å; M1-D32 HydrophobicContact SD-CB 4.46Å; K2-D32 PolarHBondContact O-N 3.11Å; L3-D32 WeakPolarHBondContact CA-O 3.12Å; A4-D32 PolarHBondContact N-O 3.32Å; D32-F34 HydrophobicContact CB-CD2 4.49Å; D32-F34 HydrophobicContact CB-CE2 3.89Å; D32-K58 HydrophobicContact CB-CD 3.93Å; D32-K58 WeakPolarHBondContact OD1-CE 3.48Å; D32-K58 IonicContact OD1-NZ 3.88Å; D32-K58 PolarHBondContact OD1-NZ 3.37Å; D32-K58 IonicContact OD2-NZ 2.63Å; D32-K58 PolarHBondContact OD2-NZ 3.26Å; D32-Y81 HydrophobicContact CB-CE1 3.91Å; D32-Y81 WeakPolarHBondContact OD2-CE1 3.4Å; D32-Y81 PolarHBondContact OD2-OH 3.21Å |
| 33 | V | 98.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.1 | 177.2 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | A4 I18 L21 L22 V57 K58 | A4-V33 HydrophobicContact CB-CG1 4.5Å; A4-V33 HydrophobicContact CB-CG2 4.34Å; A4-V33 CarbonylContact O-C 3.55Å; A4-V33 WeakPolarHBondContact O-CA 3.21Å; I18-V33 HydrophobicContact CD1-CG1 3.66Å; I18-V33 HydrophobicContact CG2-CG1 4.44Å; L21-V33 HydrophobicContact CB-CG1 4.06Å; L21-V33 HydrophobicContact CB-CG2 4.31Å; L21-V33 HydrophobicContact CD1-CG1 4.3Å; L22-V33 HydrophobicContact CD2-CB 3.71Å; L22-V33 HydrophobicContact CD2-CG1 4.28Å; L22-V33 HydrophobicContact CD2-CG2 3.94Å; L22-V33 HydrophobicContact CG-CB 4.25Å; L22-V33 HydrophobicContact CG-CG1 4.28Å; L22-V33 HydrophobicContact CG-CG2 4.49Å; V33-V57 VanDerWaalsContact O-CG2 3.28Å; V33-V57 WeakPolarHBondContact O-CG2 3.47Å; V33-K58 PolarHBondContact O-N 3.44Å |
| 34 | F | 98.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 113.6 | 180 | -77.9 | -92.1 | 0 | 0 | 0 | 111.7 | L3 A4 F5 V6 I18 D32 T36 K58 H60 F76 Y81 | L3-F34 HydrophobicContact CD1-CD2 3.9Å; L3-F34 HydrophobicContact CD1-CE2 3.76Å; L3-F34 HydrophobicContact CG-CD2 4.06Å; L3-F34 HydrophobicContact CG-CE2 4.27Å; A4-F34 PolarHBondContact O-N 3.29Å; F5-F34 WeakPolarHBondContact CA-O 2.94Å; F5-F34 HydrophobicContact CB-CB 3.89Å; V6-F34 PolarHBondContact N-O 3.06Å; I18-F34 VanDerWaalsContact CD1-O 3.3Å; I18-F34 WeakPolarHBondContact CD1-O 3.39Å; D32-F34 HydrophobicContact CB-CD2 4.49Å; D32-F34 HydrophobicContact CB-CE2 3.89Å; F34-T36 HydrophobicContact CB-CG2 4.18Å; F34-K58 WeakPolarHBondContact CA-O 3.3Å; F34-K58 HydrophobicContact CD1-CB 3.67Å; F34-K58 HydrophobicContact CD2-CB 4.3Å; F34-K58 HydrophobicContact CE1-CB 3.48Å; F34-K58 VanDerWaalsContact CE1-CB 3.48Å; F34-K58 HydrophobicContact CE1-CD 4.17Å; F34-K58 HydrophobicContact CE1-CG 4.45Å; F34-K58 HydrophobicContact CE2-CB 4.12Å; F34-K58 HydrophobicContact CE2-CD 3.99Å; F34-K58 HydrophobicContact CG-CB 4.08Å; F34-K58 HydrophobicContact CZ-CB 3.7Å; F34-K58 HydrophobicContact CZ-CD 3.57Å; F34-K58 HydrophobicContact CZ-CG 4.25Å; F34-H60 HydrophobicContact CD1-CB 4Å; F34-H60 HydrophobicContact CE1-CB 4.39Å; F34-F76 HydrophobicContact CD1-CE1 4.46Å; F34-F76 AromaticContact CE1-CE1 3.59Å; F34-F76 HydrophobicContact CE1-CE1 3.59Å; F34-F76 AromaticContact CE1-CZ 3.75Å; F34-F76 HydrophobicContact CE1-CZ 3.75Å; F34-F76 HydrophobicContact CE2-CE1 4.27Å; F34-F76 AromaticContact CZ-CE1 3.49Å; F34-F76 HydrophobicContact CZ-CE1 3.49Å; F34-F76 VanDerWaalsContact CZ-CE1 3.49Å; F34-F76 AromaticContact CZ-CZ 3.57Å; F34-F76 HydrophobicContact CZ-CZ 3.57Å; F34-Y81 HydrophobicContact CE2-CE1 4.49Å; F34-Y81 HydrophobicContact CE2-CE2 4.01Å; F34-Y81 AromaticContact CE2-CZ 3.66Å; F34-Y81 WeakPolarHBondContact CE2-OH 3.25Å; F34-Y81 HydrophobicContact CZ-CE2 4.13Å; F34-Y81 AromaticContact CZ-CZ 3.96Å; F34-Y81 WeakPolarHBondContact CZ-OH 3.4Å |
| 35 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.6 | 155.7 | -172.9 | 151.9 | 0 | 0 | 0 | 107.9 | S9 F15 I18 A37 A46 L50 V57 K58 F59 H60 | S9-L35 WeakPolarHBondContact OG-CA 3.44Å; F15-L35 HydrophobicContact CD2-CD1 4.38Å; I18-L35 HydrophobicContact CD1-CB 4.39Å; I18-L35 HydrophobicContact CG1-CB 4.42Å; L35-A37 HydrophobicContact CD2-CB 4.5Å; L35-A46 HydrophobicContact CD1-CB 3.58Å; L35-A46 HydrophobicContact CD2-CB 4.32Å; L35-L50 HydrophobicContact CD1-CD1 3.97Å; L35-V57 HydrophobicContact CB-CG2 3.89Å; L35-K58 PolarHBondContact N-O 3.33Å; L35-F59 HydrophobicContact CD2-CD2 3.69Å; L35-F59 HydrophobicContact CD2-CE2 3.95Å; L35-F59 WeakPolarHBondContact O-CA 3.46Å; L35-F59 VanDerWaalsContact O-CD2 3.3Å; L35-F59 WeakPolarHBondContact O-CD2 3.42Å; L35-H60 PolarHBondContact O-N 2.87Å |
| 36 | T | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.8 | 175.3 | 79.8 | 0 | 0 | 0 | 0 | 111.8 | F5 V6 T7 G8 S9 F34 H60 L62 F73 | F5-T36 HydrophobicContact CB-CG2 4.36Å; V6-T36 PolarHBondContact O-N 3.19Å; V6-T36 PolarHBondContact O-OG1 3.08Å; T7-T36 WeakPolarHBondContact CA-OG1 3.4Å; G8-T36 PolarHBondContact N-O 2.94Å; S9-T36 PolarHBondContact N-O 3.06Å; S9-T36 PolarHBondContact OG-N 3.32Å; S9-T36 PolarHBondContact OG-O 2.66Å; S9-T36 VanDerWaalsContact OG-O 3.11Å; F34-T36 HydrophobicContact CB-CG2 4.18Å; T36-H60 VanDerWaalsContact CA-O 3.23Å; T36-H60 WeakPolarHBondContact CA-O 3.24Å; T36-H60 VanDerWaalsContact CB-O 3.29Å; T36-H60 WeakPolarHBondContact CB-O 3.27Å; T36-L62 HydrophobicContact CG2-CB 4.43Å; T36-L62 HydrophobicContact CG2-CD2 4.49Å; T36-F73 HydrophobicContact CG2-CE2 4.12Å |
| 37 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 146.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N10 L35 N39 F59 Q61 L62 | N10-A37 HydrophobicContact CB-CB 3.86Å; L35-A37 HydrophobicContact CD2-CB 4.5Å; A37-N39 VanDerWaalsContact C-N 3.33Å; A37-F59 HydrophobicContact CB-CE2 3.98Å; A37-F59 HydrophobicContact CB-CZ 4.49Å; A37-Q61 WeakPolarHBondContact O-CA 3.45Å; A37-L62 CarbonylContact C-O 3.57Å; A37-L62 VanDerWaalsContact C-O 3.31Å; A37-L62 PolarHBondContact O-N 3.05Å |
| 38 | R | 98.4 | Very high | 97.6 | Very high | 171 Ų | 171 | 57 Ų | 57 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -65.7 | -37.4 | 174.4 | 65.4 | 179.3 | -177.2 | 178.3 | 1.5 | 112.5 | Q61 L62 D63 | R38-Q61 PolarHBondContact O-NE2 3.33Å; R38-L62 WeakPolarHBondContact CA-O 3.15Å; R38-L62 PolarHBondContact N-O 3.31Å; R38-D63 HydrophobicContact CB-CB 3.69Å; R38-D63 WeakPolarHBondContact CB-OD2 3.24Å |
| 39 | N | 98.6 | Very high | 97.9 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -101.7 | 123.7 | -179.8 | 179.4 | -71.3 | 0 | 0 | 0 | 108.7 | A37 G41 L42 G43 | A37-N39 VanDerWaalsContact C-N 3.33Å; N39-G41 PolarHBondContact OD1-N 3.07Å; N39-L42 HydrophobicContact CB-CB 4.33Å; N39-L42 HydrophobicContact CB-CD1 4.22Å; N39-L42 HydrophobicContact CB-CG 4.36Å; N39-L42 PolarHBondContact OD1-N 3.47Å; N39-G43 PolarHBondContact O-N 3.12Å; N39-G43 VanDerWaalsContact O-N 3.1Å |
| 40 | I | 98.5 | Very high | 98.3 | Very high | 88 Ų | 88 | 51.5 Ų | 51.5 | 45% | 0.451 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65 | -46.5 | -175.4 | -64.7 | 173 | 0 | 0 | 0 | 111.3 | L42 G43 Q44 F59 Q61 | I40-L42 PolarHBondContact O-N 3.28Å; I40-G43 WeakPolarHBondContact O-CA 3.34Å; I40-G43 PolarHBondContact O-N 3.24Å; I40-G43 VanDerWaalsContact O-N 3.09Å; I40-Q44 HydrophobicContact CG2-CG 4.28Å; I40-Q44 WeakPolarHBondContact O-CG 3.22Å; I40-Q44 PolarHBondContact O-N 3.5Å; I40-F59 HydrophobicContact CG2-CE1 4.16Å; I40-Q61 HydrophobicContact CD1-CB 4.5Å; I40-Q61 HydrophobicContact CD1-CG 4.26Å; I40-Q61 HydrophobicContact CG1-CB 4.04Å; I40-Q61 HydrophobicContact CG1-CG 3.72Å |
| 41 | G | 98.6 | Very high | 98.3 | Very high | 30 Ų | 30 | 49 Ų | 49 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.1 | -50.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | N39 G43 Q44 E45 | N39-G41 PolarHBondContact OD1-N 3.07Å; G41-G43 PolarHBondContact O-N 3.46Å; G41-Q44 PolarHBondContact O-N 3.23Å; G41-Q44 VanDerWaalsContact O-N 3.14Å; G41-E45 WeakPolarHBondContact O-CG 3.09Å; G41-E45 PolarHBondContact O-N 2.82Å |
| 42 | L | 98.4 | Very high | 98.3 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63 | -30.9 | 176.1 | -65.8 | 179.2 | 0 | 0 | 0 | 112.7 | N10 N39 I40 A46 | N10-L42 HydrophobicContact CB-CB 4.43Å; N39-L42 HydrophobicContact CB-CB 4.33Å; N39-L42 HydrophobicContact CB-CD1 4.22Å; N39-L42 HydrophobicContact CB-CG 4.36Å; N39-L42 PolarHBondContact OD1-N 3.47Å; I40-L42 PolarHBondContact O-N 3.28Å; L42-A46 WeakPolarHBondContact O-CB 3.34Å; L42-A46 PolarHBondContact O-N 2.63Å |
| 43 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -47.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N39 I40 G41 A46 V47 | N39-G43 PolarHBondContact O-N 3.12Å; N39-G43 VanDerWaalsContact O-N 3.1Å; I40-G43 WeakPolarHBondContact O-CA 3.34Å; I40-G43 PolarHBondContact O-N 3.24Å; I40-G43 VanDerWaalsContact O-N 3.09Å; G41-G43 PolarHBondContact O-N 3.46Å; G43-A46 WeakPolarHBondContact O-CB 3.39Å; G43-A46 PolarHBondContact O-N 3.46Å; G43-A46 VanDerWaalsContact O-N 3.16Å; G43-V47 WeakPolarHBondContact O-CG2 3.17Å; G43-V47 PolarHBondContact O-N 3.33Å |
| 44 | Q | 98.3 | Very high | 98 | Very high | 103 Ų | 103 | 60.4 Ų | 60.4 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 178 | -71.6 | 171.4 | -31.6 | 0 | 0 | 112 | I40 G41 A46 V47 E48 | I40-Q44 HydrophobicContact CG2-CG 4.28Å; I40-Q44 WeakPolarHBondContact O-CG 3.22Å; I40-Q44 PolarHBondContact O-N 3.5Å; G41-Q44 PolarHBondContact O-N 3.23Å; G41-Q44 VanDerWaalsContact O-N 3.14Å; Q44-A46 PolarHBondContact O-N 3.02Å; Q44-V47 WeakPolarHBondContact O-CB 3.25Å; Q44-V47 PolarHBondContact O-N 3.39Å; Q44-V47 VanDerWaalsContact O-N 3.1Å; Q44-E48 PolarHBondContact O-N 3.23Å |
| 45 | E | 98.6 | Very high | 97.9 | Very high | 93 Ų | 93 | 61 Ų | 61 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.5 | -37 | 172.4 | -72.3 | 173.8 | -152.4 | 0 | 0 | 112.1 | G41 K49 | G41-E45 WeakPolarHBondContact O-CG 3.09Å; G41-E45 PolarHBondContact O-N 2.82Å; E45-K49 VanDerWaalsContact O-CG 3.29Å; E45-K49 WeakPolarHBondContact O-CG 3.44Å; E45-K49 PolarHBondContact O-N 3.44Å; E45-K49 VanDerWaalsContact O-N 3.11Å |
| 46 | A | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.3 | -36.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N10 F15 L35 L42 G43 Q44 K49 L50 | N10-A46 HydrophobicContact CB-CB 4.12Å; N10-A46 WeakPolarHBondContact O-CB 3.42Å; F15-A46 HydrophobicContact CD2-CB 4Å; F15-A46 HydrophobicContact CE2-CB 3.94Å; F15-A46 WeakPolarHBondContact CE2-O 3.33Å; L35-A46 HydrophobicContact CD1-CB 3.58Å; L35-A46 HydrophobicContact CD2-CB 4.32Å; L42-A46 WeakPolarHBondContact O-CB 3.34Å; L42-A46 PolarHBondContact O-N 2.63Å; G43-A46 WeakPolarHBondContact O-CB 3.39Å; G43-A46 PolarHBondContact O-N 3.46Å; G43-A46 VanDerWaalsContact O-N 3.16Å; Q44-A46 PolarHBondContact O-N 3.02Å; A46-K49 PolarHBondContact O-N 3.02Å; A46-L50 PolarHBondContact O-N 3.06Å |
| 47 | V | 98.5 | Very high | 97.5 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.6 | -50.5 | 171.4 | 173.1 | 0 | 0 | 0 | 0 | 109.9 | G43 Q44 K49 L50 S51 V57 F59 | G43-V47 WeakPolarHBondContact O-CG2 3.17Å; G43-V47 PolarHBondContact O-N 3.33Å; Q44-V47 WeakPolarHBondContact O-CB 3.25Å; Q44-V47 PolarHBondContact O-N 3.39Å; Q44-V47 VanDerWaalsContact O-N 3.1Å; V47-K49 VanDerWaalsContact C-N 3.31Å; V47-K49 PolarHBondContact O-N 2.71Å; V47-L50 PolarHBondContact O-N 3.35Å; V47-S51 PolarHBondContact O-N 3.05Å; V47-S51 PolarHBondContact O-OG 2.91Å; V47-V57 HydrophobicContact CB-CG1 4.1Å; V47-V57 HydrophobicContact CG1-CG1 3.9Å; V47-V57 HydrophobicContact CG2-CG1 3.98Å; V47-F59 HydrophobicContact CG2-CB 3.76Å; V47-F59 HydrophobicContact CG2-CD2 4.35Å; V47-F59 HydrophobicContact CG2-CG 4.27Å |
| 48 | E | 98.2 | Very high | 97.5 | Very high | 122 Ų | 122 | 70.3 Ų | 70.3 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.8 | -42.3 | 178.9 | -71.7 | 175.9 | -173.4 | 0 | 0 | 112.3 | Q44 L50 S51 N52 | Q44-E48 PolarHBondContact O-N 3.23Å; E48-L50 PolarHBondContact O-N 3.3Å; E48-S51 PolarHBondContact O-N 2.9Å; E48-N52 WeakPolarHBondContact O-CB 3.49Å; E48-N52 PolarHBondContact O-N 3.42Å; E48-N52 PolarHBondContact O-ND2 2.92Å |
| 49 | K | 98.3 | Very high | 97.5 | Very high | 116 Ų | 116 | 64.9 Ų | 64.9 | 50% | 0.504 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.2 | -34.1 | 175.1 | -74.6 | 169.7 | -172.3 | 169.4 | 0 | 113.1 | F15 E45 A46 V47 | F15-K49 HydrophobicContact CE2-CB 4.28Å; F15-K49 HydrophobicContact CZ-CB 4.02Å; E45-K49 VanDerWaalsContact O-CG 3.29Å; E45-K49 WeakPolarHBondContact O-CG 3.44Å; E45-K49 PolarHBondContact O-N 3.44Å; E45-K49 VanDerWaalsContact O-N 3.11Å; A46-K49 PolarHBondContact O-N 3.02Å; V47-K49 VanDerWaalsContact C-N 3.31Å; V47-K49 PolarHBondContact O-N 2.71Å |
| 50 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -79.9 | -41.7 | 177.1 | -71.5 | 165.1 | 0 | 0 | 0 | 111.4 | F15 I18 E19 L22 L35 A46 V47 E48 N52 K53 G54 L55 V57 | F15-L50 HydrophobicContact CD2-CD1 4.48Å; F15-L50 HydrophobicContact CE1-CD2 4.1Å; F15-L50 HydrophobicContact CE1-CG 4.49Å; F15-L50 HydrophobicContact CE2-CD1 3.91Å; F15-L50 HydrophobicContact CE2-CD2 4.23Å; F15-L50 HydrophobicContact CE2-CG 3.75Å; F15-L50 HydrophobicContact CZ-CD1 4.23Å; F15-L50 HydrophobicContact CZ-CD2 3.7Å; F15-L50 HydrophobicContact CZ-CG 3.63Å; I18-L50 HydrophobicContact CG2-CD1 3.48Å; I18-L50 VanDerWaalsContact CG2-CD1 3.48Å; E19-L50 HydrophobicContact CB-CD2 4Å; E19-L50 HydrophobicContact CG-CD2 4.23Å; L22-L50 HydrophobicContact CD1-CD1 4.11Å; L22-L50 HydrophobicContact CD1-CD2 4.31Å; L35-L50 HydrophobicContact CD1-CD1 3.97Å; A46-L50 PolarHBondContact O-N 3.06Å; V47-L50 PolarHBondContact O-N 3.35Å; E48-L50 PolarHBondContact O-N 3.3Å; L50-N52 VanDerWaalsContact C-N 3.29Å; L50-N52 PolarHBondContact O-N 3.26Å; L50-K53 CarbonylContact O-C 3.55Å; L50-K53 WeakPolarHBondContact O-CA 3.39Å; L50-K53 WeakPolarHBondContact O-CB 3.28Å; L50-K53 PolarHBondContact O-N 3.38Å; L50-G54 PolarHBondContact O-N 3.41Å; L50-L55 CarbonylContact C-O 3.58Å; L50-L55 VanDerWaalsContact C-O 3.24Å; L50-L55 HydrophobicContact CB-CB 4.4Å; L50-L55 HydrophobicContact CD2-CD1 4.23Å; L50-L55 PolarHBondContact O-N 2.91Å; L50-V57 HydrophobicContact CB-CG1 4.06Å; L50-V57 HydrophobicContact CD1-CB 4.19Å; L50-V57 HydrophobicContact CD1-CG1 3.79Å; L50-V57 HydrophobicContact CD1-CG2 4.3Å |
| 51 | S | 96.1 | Very high | 97.5 | Very high | 53 Ų | 53 | 61 Ų | 61 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59 | -40 | 174.8 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | V47 E48 K53 G54 L55 | V47-S51 PolarHBondContact O-N 3.05Å; V47-S51 PolarHBondContact O-OG 2.91Å; E48-S51 PolarHBondContact O-N 2.9Å; S51-K53 PolarHBondContact O-N 3.19Å; S51-K53 VanDerWaalsContact O-N 3.14Å; S51-G54 WeakPolarHBondContact O-CA 3.47Å; S51-G54 PolarHBondContact O-N 2.94Å; S51-L55 PolarHBondContact N-O 2.76Å |
| 52 | N | 96.7 | Very high | 97.6 | Very high | 143 Ų | 143 | 59.8 Ų | 59.8 | 77% | 0.765 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.3 | 174.5 | -71.2 | -19.7 | 0 | 0 | 0 | 113.5 | E48 L50 | E48-N52 WeakPolarHBondContact O-CB 3.49Å; E48-N52 PolarHBondContact O-N 3.42Å; E48-N52 PolarHBondContact O-ND2 2.92Å; L50-N52 VanDerWaalsContact C-N 3.29Å; L50-N52 PolarHBondContact O-N 3.26Å |
| 53 | K | 95.7 | Very high | 97.6 | Very high | 112 Ų | 112 | 57.9 Ų | 57.9 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 5.7 | 171.6 | -62.9 | 174.9 | 173.4 | -173.1 | 0 | 112.9 | E19 L50 S51 L55 | E19-K53 IonicContact OE1-NZ 3.62Å; E19-K53 PolarHBondContact OE1-NZ 3.43Å; E19-K53 IonicContact OE2-NZ 2.65Å; E19-K53 PolarHBondContact OE2-NZ 2.83Å; L50-K53 CarbonylContact O-C 3.55Å; L50-K53 WeakPolarHBondContact O-CA 3.39Å; L50-K53 WeakPolarHBondContact O-CB 3.28Å; L50-K53 PolarHBondContact O-N 3.38Å; S51-K53 PolarHBondContact O-N 3.19Å; S51-K53 VanDerWaalsContact O-N 3.14Å; K53-L55 VanDerWaalsContact C-N 3.29Å; K53-L55 HydrophobicContact CB-CD1 4.39Å; K53-L55 HydrophobicContact CB-CG 4.38Å |
| 54 | G | 95.1 | Very high | 97.6 | Very high | 51 Ų | 51 | 58.1 Ų | 58.1 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 20.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | L50 S51 | L50-G54 PolarHBondContact O-N 3.41Å; S51-G54 WeakPolarHBondContact O-CA 3.47Å; S51-G54 PolarHBondContact O-N 2.94Å |
| 55 | L | 95.5 | Very high | 97.6 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | trans | -107.6 | 100.8 | 178.7 | -61 | 175 | 0 | 0 | 0 | 109.4 | E19 L22 K23 L50 S51 K53 V57 | E19-L55 HydrophobicContact CG-CD1 3.81Å; L22-L55 HydrophobicContact CB-CB 4.24Å; L22-L55 HydrophobicContact CB-CD1 4.39Å; L22-L55 HydrophobicContact CB-CD2 4.16Å; L22-L55 HydrophobicContact CD1-CB 3.95Å; K23-L55 HydrophobicContact CG-CD1 4.19Å; K23-L55 HydrophobicContact CG-CD2 4.13Å; L50-L55 CarbonylContact C-O 3.58Å; L50-L55 VanDerWaalsContact C-O 3.24Å; L50-L55 HydrophobicContact CB-CB 4.4Å; L50-L55 HydrophobicContact CD2-CD1 4.23Å; L50-L55 PolarHBondContact O-N 2.91Å; S51-L55 PolarHBondContact N-O 2.76Å; K53-L55 VanDerWaalsContact C-N 3.29Å; K53-L55 HydrophobicContact CB-CD1 4.39Å; K53-L55 HydrophobicContact CB-CG 4.38Å; L55-V57 PolarHBondContact O-N 2.85Å | ||
| 56 | D | 93.4 | Very high | 97.6 | Very high | 105 Ų | 105 | 54.7 Ų | 54.7 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | trans | -74.8 | 120.8 | 177.9 | -172.8 | 21.4 | 0 | 0 | 0 | 110.8 | L22 | L22-D56 WeakPolarHBondContact CD2-O 3.37Š| ||
| 57 | V | 97.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | trans | -126.7 | 140 | -175.3 | 69.1 | 0 | 0 | 0 | 0 | 109.8 | I18 L22 V33 L35 V47 L50 L55 | I18-V57 HydrophobicContact CG2-CG2 3.72Å; L22-V57 HydrophobicContact CD1-CB 3.69Å; L22-V57 HydrophobicContact CD1-CG2 3.87Å; L22-V57 HydrophobicContact CD2-CB 4.3Å; L22-V57 HydrophobicContact CD2-CG2 4.42Å; V33-V57 VanDerWaalsContact O-CG2 3.28Å; V33-V57 WeakPolarHBondContact O-CG2 3.47Å; L35-V57 HydrophobicContact CB-CG2 3.89Å; V47-V57 HydrophobicContact CB-CG1 4.1Å; V47-V57 HydrophobicContact CG1-CG1 3.9Å; V47-V57 HydrophobicContact CG2-CG1 3.98Å; L50-V57 HydrophobicContact CB-CG1 4.06Å; L50-V57 HydrophobicContact CD1-CB 4.19Å; L50-V57 HydrophobicContact CD1-CG1 3.79Å; L50-V57 HydrophobicContact CD1-CG2 4.3Å; L55-V57 PolarHBondContact O-N 2.85Å | ||
| 58 | K | 97.9 | Very high | 97.6 | Very high | 82 Ų | 82 | 65.4 Ų | 65.4 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 152.9 | 173.1 | -61.4 | -162.7 | 175.9 | 178.8 | 0 | 110.5 | D32 V33 F34 L35 | D32-K58 HydrophobicContact CB-CD 3.93Å; D32-K58 WeakPolarHBondContact OD1-CE 3.48Å; D32-K58 IonicContact OD1-NZ 3.88Å; D32-K58 PolarHBondContact OD1-NZ 3.37Å; D32-K58 IonicContact OD2-NZ 2.63Å; D32-K58 PolarHBondContact OD2-NZ 3.26Å; V33-K58 PolarHBondContact O-N 3.44Å; F34-K58 WeakPolarHBondContact CA-O 3.3Å; F34-K58 HydrophobicContact CD1-CB 3.67Å; F34-K58 HydrophobicContact CD2-CB 4.3Å; F34-K58 HydrophobicContact CE1-CB 3.48Å; F34-K58 VanDerWaalsContact CE1-CB 3.48Å; F34-K58 HydrophobicContact CE1-CD 4.17Å; F34-K58 HydrophobicContact CE1-CG 4.45Å; F34-K58 HydrophobicContact CE2-CB 4.12Å; F34-K58 HydrophobicContact CE2-CD 3.99Å; F34-K58 HydrophobicContact CG-CB 4.08Å; F34-K58 HydrophobicContact CZ-CB 3.7Å; F34-K58 HydrophobicContact CZ-CD 3.57Å; F34-K58 HydrophobicContact CZ-CG 4.25Å; L35-K58 PolarHBondContact N-O 3.33Å |
| 59 | F | 98.7 | Very high | 97.7 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 25% | 0.25 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.2 | 176.9 | 178.9 | -109.7 | 0 | 0 | 0 | 111.7 | L35 A37 I40 V47 Q61 | L35-F59 HydrophobicContact CD2-CD2 3.69Å; L35-F59 HydrophobicContact CD2-CE2 3.95Å; L35-F59 WeakPolarHBondContact O-CA 3.46Å; L35-F59 VanDerWaalsContact O-CD2 3.3Å; L35-F59 WeakPolarHBondContact O-CD2 3.42Å; A37-F59 HydrophobicContact CB-CE2 3.98Å; A37-F59 HydrophobicContact CB-CZ 4.49Å; I40-F59 HydrophobicContact CG2-CE1 4.16Å; V47-F59 HydrophobicContact CG2-CB 3.76Å; V47-F59 HydrophobicContact CG2-CD2 4.35Å; V47-F59 HydrophobicContact CG2-CG 4.27Å; F59-Q61 HydrophobicContact CZ-CB 4.45Å |
| 60 | H | 98.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 17% | 0.167 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 137.4 | 162.6 | -161.5 | -69.8 | 0 | 0 | 0 | 109.7 | F34 L35 T36 L62 F73 F76 | F34-H60 HydrophobicContact CD1-CB 4Å; F34-H60 HydrophobicContact CE1-CB 4.39Å; L35-H60 PolarHBondContact O-N 2.87Å; T36-H60 VanDerWaalsContact CA-O 3.23Å; T36-H60 WeakPolarHBondContact CA-O 3.24Å; T36-H60 VanDerWaalsContact CB-O 3.29Å; T36-H60 WeakPolarHBondContact CB-O 3.27Å; H60-L62 PolarHBondContact O-N 3.43Å; H60-F73 HydrophobicContact CB-CD2 3.89Å; H60-F73 HydrophobicContact CB-CE2 4.08Å; H60-F73 AromaticContact CG-CD2 3.63Å; H60-F73 AromaticContact ND1-CD2 3.6Å; H60-F76 AromaticContact CD2-CD1 3.53Å; H60-F76 AromaticContact CD2-CE1 4Å; H60-F76 AromaticContact CD2-CG 3.56Å; H60-F76 WeakPolarHBondContact NE2-CB 3.44Å; H60-F76 AromaticContact NE2-CD1 3.97Å; H60-F76 AromaticContact NE2-CG 3.6Å |
| 61 | Q | 98.8 | Very high | 97.7 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 24% | 0.243 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 135.3 | 173.5 | -169 | -78.6 | -23.1 | 0 | 0 | 109.5 | A37 R38 I40 F59 S69 | A37-Q61 WeakPolarHBondContact O-CA 3.45Å; R38-Q61 PolarHBondContact O-NE2 3.33Å; I40-Q61 HydrophobicContact CD1-CB 4.5Å; I40-Q61 HydrophobicContact CD1-CG 4.26Å; I40-Q61 HydrophobicContact CG1-CB 4.04Å; I40-Q61 HydrophobicContact CG1-CG 3.72Å; F59-Q61 HydrophobicContact CZ-CB 4.45Å; Q61-S69 PolarHBondContact OE1-OG 2.66Å |
| 62 | L | 98.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | trans | -153.4 | 109.3 | 174 | -177.9 | 59.6 | 0 | 0 | 0 | 110.1 | T7 T36 A37 R38 H60 I64 S69 R70 F73 F122 | T7-L62 HydrophobicContact CG2-CD2 3.76Å; T36-L62 HydrophobicContact CG2-CB 4.43Å; T36-L62 HydrophobicContact CG2-CD2 4.49Å; A37-L62 CarbonylContact C-O 3.57Å; A37-L62 VanDerWaalsContact C-O 3.31Å; A37-L62 PolarHBondContact O-N 3.05Å; R38-L62 WeakPolarHBondContact CA-O 3.15Å; R38-L62 PolarHBondContact N-O 3.31Å; H60-L62 PolarHBondContact O-N 3.43Å; L62-I64 HydrophobicContact CD2-CG2 4.39Å; L62-I64 HydrophobicContact CG-CG2 4.24Å; L62-S69 WeakPolarHBondContact CA-OG 3.5Å; L62-R70 HydrophobicContact CD1-CG 4.2Å; L62-F73 HydrophobicContact CD1-CB 4.02Å; L62-F73 HydrophobicContact CD1-CG 4.39Å; L62-F73 HydrophobicContact CD2-CD1 4.31Å; L62-F73 HydrophobicContact CD2-CG 4.45Å; L62-F122 HydrophobicContact CD1-CE2 4.35Å; L62-F122 HydrophobicContact CD1-CZ 4.23Å; L62-F122 HydrophobicContact CD2-CE1 3.71Å; L62-F122 HydrophobicContact CD2-CZ 3.62Å | ||
| 63 | D | 98.8 | Very high | 98 | Very high | 35 Ų | 35 | 54.8 Ų | 54.8 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | trans | -101.2 | 109.2 | 161.2 | -166.9 | -34.4 | 0 | 0 | 0 | 108.3 | R38 T65 D66 S69 | R38-D63 HydrophobicContact CB-CB 3.69Å; R38-D63 WeakPolarHBondContact CB-OD2 3.24Å; D63-T65 PolarHBondContact O-N 3.08Å; D63-T65 VanDerWaalsContact O-N 3.11Å; D63-T65 WeakPolarHBondContact OD1-CB 3.46Å; D63-T65 PolarHBondContact OD1-N 3.37Å; D63-T65 PolarHBondContact OD1-OG1 3.38Å; D63-D66 HydrophobicContact CB-CB 4.25Å; D63-D66 PolarHBondContact O-N 3.32Å; D63-D66 VanDerWaalsContact O-N 3.08Å; D63-S69 PolarHBondContact N-OG 2.89Å | ||
| 64 | I | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.6 | -179.2 | 61.5 | 164.3 | 0 | 0 | 0 | 112.5 | T7 L62 D66 R70 A92 T114 S118 F122 | T7-I64 HydrophobicContact CG2-CG2 4.11Å; L62-I64 HydrophobicContact CD2-CG2 4.39Å; L62-I64 HydrophobicContact CG-CG2 4.24Å; I64-D66 VanDerWaalsContact C-N 3.34Å; I64-R70 WeakPolarHBondContact O-CD 2.92Å; I64-R70 PolarHBondContact O-NH1 2.98Å; I64-A92 HydrophobicContact CD1-CB 3.87Å; I64-A92 HydrophobicContact CG1-CB 4.3Å; I64-T114 HydrophobicContact CD1-CG2 4.18Å; I64-T114 WeakPolarHBondContact CD1-O 3.13Å; I64-S118 VanDerWaalsContact O-CB 3.25Å; I64-S118 WeakPolarHBondContact O-CB 3.43Å; I64-F122 HydrophobicContact CG2-CD1 4.13Å |
| 65 | T | 98.8 | Very high | 98.3 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 33% | 0.331 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -11.2 | 178.9 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | D63 T114 S118 | D63-T65 PolarHBondContact O-N 3.08Å; D63-T65 VanDerWaalsContact O-N 3.11Å; D63-T65 WeakPolarHBondContact OD1-CB 3.46Å; D63-T65 PolarHBondContact OD1-N 3.37Å; D63-T65 PolarHBondContact OD1-OG1 3.38Å; T65-T114 HydrophobicContact CG2-CG2 4.04Å; T65-T114 WeakPolarHBondContact CG2-OG1 3.17Å; T65-S118 WeakPolarHBondContact CA-OG 3.31Å |
| 66 | D | 98.8 | Very high | 98.4 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | trans | -104.4 | 113.6 | 175.8 | 176.3 | 2.8 | 0 | 0 | 0 | 110.3 | D63 I64 N68 S69 R70 | D63-D66 HydrophobicContact CB-CB 4.25Å; D63-D66 PolarHBondContact O-N 3.32Å; D63-D66 VanDerWaalsContact O-N 3.08Å; I64-D66 VanDerWaalsContact C-N 3.34Å; D66-N68 VanDerWaalsContact C-N 3.25Å; D66-N68 PolarHBondContact O-N 2.77Å; D66-N68 WeakPolarHBondContact OD1-CB 3.28Å; D66-N68 PolarHBondContact OD1-N 2.82Å; D66-S69 WeakPolarHBondContact O-CB 3.4Å; D66-S69 PolarHBondContact O-N 2.95Å; D66-S69 VanDerWaalsContact O-N 3.14Å; D66-S69 PolarHBondContact OD1-N 2.71Å; D66-R70 WeakPolarHBondContact O-CG 3.25Å; D66-R70 PolarHBondContact O-N 2.89Å | ||
| 67 | Q | 98.6 | Very high | 98.7 | Very high | 132 Ų | 132 | 46.4 Ų | 46.4 | 62% | 0.617 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59 | -35 | 178.8 | -174 | 177.9 | 9.4 | 0 | 0 | 113 | R70 K71 | Q67-R70 PolarHBondContact O-N 2.9Å; Q67-K71 WeakPolarHBondContact O-CB 3.38Å; Q67-K71 PolarHBondContact O-N 3.1Å |
| 68 | N | 98.8 | Very high | 98.7 | Very high | 120 Ų | 120 | 52 Ų | 52 | 64% | 0.642 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -70.8 | -38.7 | 177.8 | -68.4 | -40.8 | 0 | 0 | 0 | 111.1 | D66 K71 A72 | D66-N68 VanDerWaalsContact C-N 3.25Å; D66-N68 PolarHBondContact O-N 2.77Å; D66-N68 WeakPolarHBondContact OD1-CB 3.28Å; D66-N68 PolarHBondContact OD1-N 2.82Å; N68-K71 PolarHBondContact O-N 2.92Å; N68-A72 VanDerWaalsContact O-CB 3.32Å; N68-A72 WeakPolarHBondContact O-CB 3.42Å; N68-A72 PolarHBondContact O-N 2.89Å |
| 69 | S | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | Q61 L62 D63 D66 A72 F73 | Q61-S69 PolarHBondContact OE1-OG 2.66Å; L62-S69 WeakPolarHBondContact CA-OG 3.5Å; D63-S69 PolarHBondContact N-OG 2.89Å; D66-S69 WeakPolarHBondContact O-CB 3.4Å; D66-S69 PolarHBondContact O-N 2.95Å; D66-S69 VanDerWaalsContact O-N 3.14Å; D66-S69 PolarHBondContact OD1-N 2.71Å; S69-A72 PolarHBondContact O-N 2.86Å; S69-F73 PolarHBondContact O-N 2.96Å; S69-F73 VanDerWaalsContact O-N 3.07Å |
| 70 | R | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 174.8 | -61.7 | -166 | -54.1 | -95 | 6.2 | 112 | L62 I64 D66 Q67 A72 F73 L74 F122 E125 | L62-R70 HydrophobicContact CD1-CG 4.2Å; I64-R70 WeakPolarHBondContact O-CD 2.92Å; I64-R70 PolarHBondContact O-NH1 2.98Å; D66-R70 WeakPolarHBondContact O-CG 3.25Å; D66-R70 PolarHBondContact O-N 2.89Å; Q67-R70 PolarHBondContact O-N 2.9Å; R70-A72 VanDerWaalsContact C-N 3.31Å; R70-A72 PolarHBondContact O-N 3.23Å; R70-F73 PolarHBondContact O-N 3.26Å; R70-L74 WeakPolarHBondContact O-CG 3.38Å; R70-L74 PolarHBondContact O-N 3.16Å; R70-F122 HydrophobicContact CB-CD2 3.95Å; R70-F122 HydrophobicContact CB-CE2 4.25Å; R70-F122 HydrophobicContact CG-CD2 3.87Å; R70-F122 HydrophobicContact CG-CE2 4.4Å; R70-F122 HydrophobicContact CG-CG 4.38Å; R70-E125 WeakPolarHBondContact CB-OE2 3.23Å; R70-E125 WeakPolarHBondContact CD-OE2 3.45Å; R70-E125 IonicContact CZ-OE1 3.96Å; R70-E125 IonicContact CZ-OE2 3.41Å; R70-E125 IonicContact NE-OE1 2.69Å; R70-E125 PolarHBondContact NE-OE1 2.84Å; R70-E125 VanDerWaalsContact NE-OE1 3.14Å; R70-E125 IonicContact NE-OE2 3.14Å; R70-E125 PolarHBondContact NE-OE2 2.8Å; R70-E125 IonicContact NH2-OE1 2.65Å; R70-E125 PolarHBondContact NH2-OE1 3.28Å; R70-E125 IonicContact NH2-OE2 2.78Å |
| 71 | K | 98.8 | Very high | 98.7 | Very high | 142 Ų | 142 | 58.1 Ų | 58.1 | 62% | 0.617 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.5 | -42.1 | 178.4 | -176 | 178.3 | -179.8 | 179.7 | 0 | 112.1 | Q67 N68 L74 T75 | Q67-K71 WeakPolarHBondContact O-CB 3.38Å; Q67-K71 PolarHBondContact O-N 3.1Å; N68-K71 PolarHBondContact O-N 2.92Å; K71-L74 PolarHBondContact O-N 2.89Å; K71-T75 WeakPolarHBondContact O-CB 3.46Å; K71-T75 PolarHBondContact O-N 3.32Å; K71-T75 PolarHBondContact O-OG1 3.43Å |
| 72 | A | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N68 S69 R70 T75 F76 | N68-A72 VanDerWaalsContact O-CB 3.32Å; N68-A72 WeakPolarHBondContact O-CB 3.42Å; N68-A72 PolarHBondContact O-N 2.89Å; S69-A72 PolarHBondContact O-N 2.86Å; R70-A72 VanDerWaalsContact C-N 3.31Å; R70-A72 PolarHBondContact O-N 3.23Å; A72-T75 PolarHBondContact O-N 2.92Å; A72-F76 WeakPolarHBondContact O-CB 3.34Å; A72-F76 PolarHBondContact O-N 3.41Å |
| 73 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 175 | 177.6 | -104.8 | 0 | 0 | 0 | 112.2 | F5 T36 H60 L62 S69 R70 F76 V77 F122 | F5-F73 HydrophobicContact CB-CZ 3.9Å; F5-F73 AromaticContact CD1-CE1 3.91Å; F5-F73 HydrophobicContact CD1-CE1 3.91Å; F5-F73 AromaticContact CD1-CZ 3.79Å; F5-F73 HydrophobicContact CD1-CZ 3.79Å; F5-F73 HydrophobicContact CD2-CE1 4.37Å; F5-F73 HydrophobicContact CD2-CZ 4.28Å; F5-F73 HydrophobicContact CE1-CE1 4.01Å; F5-F73 HydrophobicContact CE1-CZ 4.36Å; F5-F73 HydrophobicContact CG-CE1 4.08Å; F5-F73 AromaticContact CG-CZ 3.72Å; F5-F73 HydrophobicContact CG-CZ 3.72Å; F5-F73 HydrophobicContact CZ-CE1 4.33Å; T36-F73 HydrophobicContact CG2-CE2 4.12Å; H60-F73 HydrophobicContact CB-CD2 3.89Å; H60-F73 HydrophobicContact CB-CE2 4.08Å; H60-F73 AromaticContact CG-CD2 3.63Å; H60-F73 AromaticContact ND1-CD2 3.6Å; L62-F73 HydrophobicContact CD1-CB 4.02Å; L62-F73 HydrophobicContact CD1-CG 4.39Å; L62-F73 HydrophobicContact CD2-CD1 4.31Å; L62-F73 HydrophobicContact CD2-CG 4.45Å; S69-F73 PolarHBondContact O-N 2.96Å; S69-F73 VanDerWaalsContact O-N 3.07Å; R70-F73 PolarHBondContact O-N 3.26Å; F73-F76 WeakPolarHBondContact O-CB 3.45Å; F73-F76 PolarHBondContact O-N 2.97Å; F73-V77 HydrophobicContact CD1-CG2 4.28Å; F73-V77 HydrophobicContact CE1-CG2 3.86Å; F73-V77 HydrophobicContact CE2-CG2 4.18Å; F73-V77 HydrophobicContact CZ-CG2 3.81Å; F73-V77 WeakPolarHBondContact O-CG2 3.42Å; F73-V77 PolarHBondContact O-N 2.95Å; F73-F122 HydrophobicContact CD1-CE2 4.08Å; F73-F122 AromaticContact CD1-CZ 3.7Å; F73-F122 HydrophobicContact CD1-CZ 3.7Å; F73-F122 AromaticContact CE1-CZ 3.93Å; F73-F122 HydrophobicContact CE1-CZ 3.93Å |
| 74 | L | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.8 | -36.2 | -179.3 | -62.2 | 177.6 | 0 | 0 | 0 | 112.6 | R70 K71 F76 V77 E78 F122 E125 F126 L129 | R70-L74 WeakPolarHBondContact O-CG 3.38Å; R70-L74 PolarHBondContact O-N 3.16Å; K71-L74 PolarHBondContact O-N 2.89Å; L74-F76 VanDerWaalsContact C-N 3.31Å; L74-F76 PolarHBondContact O-N 3.04Å; L74-V77 PolarHBondContact O-N 2.91Å; L74-E78 WeakPolarHBondContact O-CB 3.34Å; L74-E78 PolarHBondContact O-N 3.27Å; L74-F122 HydrophobicContact CD1-CD2 4.41Å; L74-F122 HydrophobicContact CD1-CE2 4.17Å; L74-F122 HydrophobicContact CD2-CE2 3.82Å; L74-F122 HydrophobicContact CD2-CZ 4.38Å; L74-F122 HydrophobicContact CG-CE2 4.01Å; L74-E125 HydrophobicContact CD1-CB 3.48Å; L74-E125 VanDerWaalsContact CD1-CB 3.48Å; L74-F126 HydrophobicContact CD1-CB 4.46Å; L74-F126 HydrophobicContact CD2-CB 3.56Å; L74-L129 HydrophobicContact CB-CD1 3.89Å; L74-L129 HydrophobicContact CD2-CD1 4.02Å; L74-L129 HydrophobicContact CG-CD1 4.43Å |
| 75 | T | 98.7 | Very high | 98.4 | Very high | 37 Ų | 37 | 63.8 Ų | 63.8 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 172 | -57.7 | 0 | 0 | 0 | 0 | 111 | K71 A72 R79 | K71-T75 WeakPolarHBondContact O-CB 3.46Å; K71-T75 PolarHBondContact O-N 3.32Å; K71-T75 PolarHBondContact O-OG1 3.43Å; A72-T75 PolarHBondContact O-N 2.92Å; T75-R79 VanDerWaalsContact CG2-CZ 3.42Å; T75-R79 WeakPolarHBondContact O-CB 3.49Å; T75-R79 WeakPolarHBondContact O-CD 3.16Å; T75-R79 VanDerWaalsContact O-CG 3.23Å; T75-R79 WeakPolarHBondContact O-CG 3.05Å; T75-R79 PolarHBondContact O-N 3.46Å; T75-R79 VanDerWaalsContact O-N 3.17Å |
| 76 | F | 98.8 | Very high | 98.4 | Very high | 54 Ų | 54 | 62.2 Ų | 62.2 | 24% | 0.237 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 173.5 | 164.6 | -94.4 | 0 | 0 | 0 | 111.4 | F34 H60 A72 F73 L74 R79 N80 Y81 | F34-F76 HydrophobicContact CD1-CE1 4.46Å; F34-F76 AromaticContact CE1-CE1 3.59Å; F34-F76 HydrophobicContact CE1-CE1 3.59Å; F34-F76 AromaticContact CE1-CZ 3.75Å; F34-F76 HydrophobicContact CE1-CZ 3.75Å; F34-F76 HydrophobicContact CE2-CE1 4.27Å; F34-F76 AromaticContact CZ-CE1 3.49Å; F34-F76 HydrophobicContact CZ-CE1 3.49Å; F34-F76 VanDerWaalsContact CZ-CE1 3.49Å; F34-F76 AromaticContact CZ-CZ 3.57Å; F34-F76 HydrophobicContact CZ-CZ 3.57Å; H60-F76 AromaticContact CD2-CD1 3.53Å; H60-F76 AromaticContact CD2-CE1 4Å; H60-F76 AromaticContact CD2-CG 3.56Å; H60-F76 WeakPolarHBondContact NE2-CB 3.44Å; H60-F76 AromaticContact NE2-CD1 3.97Å; H60-F76 AromaticContact NE2-CG 3.6Å; A72-F76 WeakPolarHBondContact O-CB 3.34Å; A72-F76 PolarHBondContact O-N 3.41Å; F73-F76 WeakPolarHBondContact O-CB 3.45Å; F73-F76 PolarHBondContact O-N 2.97Å; L74-F76 VanDerWaalsContact C-N 3.31Å; L74-F76 PolarHBondContact O-N 3.04Å; F76-R79 PolarHBondContact O-N 2.91Å; F76-N80 VanDerWaalsContact CD2-ND2 3.33Å; F76-N80 WeakPolarHBondContact CD2-ND2 3.47Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.31Å; F76-N80 WeakPolarHBondContact O-CB 3.4Å; F76-N80 PolarHBondContact O-N 2.93Å; F76-N80 VanDerWaalsContact O-N 3.15Å; F76-N80 PolarHBondContact O-ND2 2.87Å; F76-Y81 AromaticContact CE1-CE2 3.84Å; F76-Y81 HydrophobicContact CE1-CE2 3.84Å; F76-Y81 HydrophobicContact CZ-CE2 4Å |
| 77 | V | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60 | -52 | 178 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | L3 F73 L74 R79 N80 Y81 I85 L129 | L3-V77 HydrophobicContact CD1-CG2 4.09Å; F73-V77 HydrophobicContact CD1-CG2 4.28Å; F73-V77 HydrophobicContact CE1-CG2 3.86Å; F73-V77 HydrophobicContact CE2-CG2 4.18Å; F73-V77 HydrophobicContact CZ-CG2 3.81Å; F73-V77 WeakPolarHBondContact O-CG2 3.42Å; F73-V77 PolarHBondContact O-N 2.95Å; L74-V77 PolarHBondContact O-N 2.91Å; V77-R79 VanDerWaalsContact C-N 3.28Å; V77-R79 PolarHBondContact O-N 2.71Å; V77-N80 PolarHBondContact O-N 3.45Å; V77-Y81 WeakPolarHBondContact O-CA 3.43Å; V77-Y81 WeakPolarHBondContact O-CB 3.47Å; V77-Y81 PolarHBondContact O-N 3.25Å; V77-I85 HydrophobicContact CG1-CD1 4.07Å; V77-I85 HydrophobicContact CG1-CG1 3.66Å; V77-L129 HydrophobicContact CG1-CD1 4.4Å |
| 78 | E | 97.9 | Very high | 98.4 | Very high | 126 Ų | 126 | 52.8 Ų | 52.8 | 59% | 0.589 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57.4 | -40.2 | -178.4 | -174.7 | 177.7 | -150.5 | 0 | 0 | 112.2 | L74 L129 | L74-E78 WeakPolarHBondContact O-CB 3.34Å; L74-E78 PolarHBondContact O-N 3.27Å; E78-L129 HydrophobicContact CB-CD1 4.46Å; E78-L129 HydrophobicContact CB-CD2 4.24Å; E78-L129 HydrophobicContact CG-CD2 4.29Å |
| 79 | R | 98.2 | Very high | 98.4 | Very high | 196 Ų | 196 | 47 Ų | 47 | 74% | 0.74 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -72 | -33.6 | 179.8 | -72.4 | 173.3 | -178.1 | 176 | 1.5 | 114 | T75 F76 V77 | T75-R79 VanDerWaalsContact CG2-CZ 3.42Å; T75-R79 WeakPolarHBondContact O-CB 3.49Å; T75-R79 WeakPolarHBondContact O-CD 3.16Å; T75-R79 VanDerWaalsContact O-CG 3.23Å; T75-R79 WeakPolarHBondContact O-CG 3.05Å; T75-R79 PolarHBondContact O-N 3.46Å; T75-R79 VanDerWaalsContact O-N 3.17Å; F76-R79 PolarHBondContact O-N 2.91Å; V77-R79 VanDerWaalsContact C-N 3.28Å; V77-R79 PolarHBondContact O-N 2.71Å |
| 80 | N | 98.4 | Very high | 98.4 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 49% | 0.492 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -108.7 | -17.8 | -168.3 | -65.8 | -83.4 | 0 | 0 | 0 | 113.8 | F76 V77 | F76-N80 VanDerWaalsContact CD2-ND2 3.33Å; F76-N80 WeakPolarHBondContact CD2-ND2 3.47Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.31Å; F76-N80 WeakPolarHBondContact O-CB 3.4Å; F76-N80 PolarHBondContact O-N 2.93Å; F76-N80 VanDerWaalsContact O-N 3.15Å; F76-N80 PolarHBondContact O-ND2 2.87Å; V77-N80 PolarHBondContact O-N 3.45Å |
| 81 | Y | 98.3 | Very high | 98.4 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 6% | 0.059 | 25% | 0.247 | C | C | . | . | trans | -131.7 | 73.8 | -175.7 | -58 | -89.8 | 0 | 0 | 0 | 109.9 | M1 L3 D32 F34 F76 V77 S83 G84 | M1-Y81 HydrophobicContact CG-CE1 4.05Å; L3-Y81 HydrophobicContact CB-CD1 3.74Å; L3-Y81 HydrophobicContact CB-CE1 4.11Å; L3-Y81 HydrophobicContact CB-CG 4.07Å; L3-Y81 HydrophobicContact CD1-CD1 3.84Å; L3-Y81 HydrophobicContact CD1-CD2 3.35Å; L3-Y81 HydrophobicContact CD1-CE1 3.94Å; L3-Y81 HydrophobicContact CD1-CE2 3.48Å; L3-Y81 VanDerWaalsContact CD1-CE2 3.48Å; L3-Y81 HydrophobicContact CD1-CG 3.55Å; L3-Y81 HydrophobicContact CG-CD1 4.39Å; L3-Y81 HydrophobicContact CG-CG 4.45Å; D32-Y81 HydrophobicContact CB-CE1 3.91Å; D32-Y81 WeakPolarHBondContact OD2-CE1 3.4Å; D32-Y81 PolarHBondContact OD2-OH 3.21Å; F34-Y81 HydrophobicContact CE2-CE1 4.49Å; F34-Y81 HydrophobicContact CE2-CE2 4.01Å; F34-Y81 AromaticContact CE2-CZ 3.66Å; F34-Y81 WeakPolarHBondContact CE2-OH 3.25Å; F34-Y81 HydrophobicContact CZ-CE2 4.13Å; F34-Y81 AromaticContact CZ-CZ 3.96Å; F34-Y81 WeakPolarHBondContact CZ-OH 3.4Å; F76-Y81 AromaticContact CE1-CE2 3.84Å; F76-Y81 HydrophobicContact CE1-CE2 3.84Å; F76-Y81 HydrophobicContact CZ-CE2 4Å; V77-Y81 WeakPolarHBondContact O-CA 3.43Å; V77-Y81 WeakPolarHBondContact O-CB 3.47Å; V77-Y81 PolarHBondContact O-N 3.25Å; Y81-S83 PolarHBondContact O-N 3.28Å; Y81-S83 VanDerWaalsContact O-N 3.12Å; Y81-G84 WeakPolarHBondContact O-CA 3.34Å; Y81-G84 PolarHBondContact O-N 3.38Å | ||
| 82 | P | 96.6 | Very high | 98.4 | Very high | 123 Ų | 123 | 41.4 Ų | 41.4 | 80% | 0.799 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.7 | -177.6 | 25.5 | -35.5 | 0 | 0 | 0 | 113.4 | G84 | P82-G84 PolarHBondContact O-N 2.96Š|
| 83 | S | 96.5 | Very high | 98.4 | Very high | 84 Ų | 84 | 40 Ų | 40 | 59% | 0.587 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -8.5 | 172.1 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | Y81 A131 | Y81-S83 PolarHBondContact O-N 3.28Å; Y81-S83 VanDerWaalsContact O-N 3.12Å; S83-A131 VanDerWaalsContact O-CA 3.24Å; S83-A131 WeakPolarHBondContact O-CA 3.27Å; S83-A131 WeakPolarHBondContact O-CB 3.5Å |
| 84 | G | 98.4 | Very high | 98.3 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 8% | 0.082 | 23% | 0.228 | C | C | . | . | trans | 87 | -169.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y81 P82 L129 | Y81-G84 WeakPolarHBondContact O-CA 3.34Å; Y81-G84 PolarHBondContact O-N 3.38Å; P82-G84 PolarHBondContact O-N 2.96Å; G84-L129 CarbonylContact C-O 3.59Å; G84-L129 WeakPolarHBondContact CA-O 3.43Å | ||
| 85 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121 | -179.5 | -60.4 | 153 | 0 | 0 | 0 | 109.3 | L3 F5 V77 A88 F126 L129 L130 A131 A134 | L3-I85 HydrophobicContact CD2-CB 4.1Å; L3-I85 HydrophobicContact CD2-CG1 3.86Å; L3-I85 HydrophobicContact CD2-CG2 3.87Å; F5-I85 HydrophobicContact CD1-CG2 3.91Å; F5-I85 HydrophobicContact CE1-CD1 4.08Å; F5-I85 HydrophobicContact CE1-CG1 4.37Å; F5-I85 HydrophobicContact CE1-CG2 3.73Å; V77-I85 HydrophobicContact CG1-CD1 4.07Å; V77-I85 HydrophobicContact CG1-CG1 3.66Å; I85-A88 HydrophobicContact CG2-CB 4.06Å; I85-F126 HydrophobicContact CD1-CB 3.92Å; I85-F126 HydrophobicContact CD1-CG 4.48Å; I85-L129 HydrophobicContact CD1-CB 3.92Å; I85-L129 PolarHBondContact N-O 3.03Å; I85-L130 HydrophobicContact CB-CD2 4.05Å; I85-L130 HydrophobicContact CG2-CD2 4.08Å; I85-A131 WeakPolarHBondContact O-CB 3.36Å; I85-A131 PolarHBondContact O-N 2.88Å; I85-A134 WeakPolarHBondContact O-CB 3.45Å |
| 86 | N | 98.5 | Very high | 98 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -36.4 | 177.5 | -57.2 | 93.8 | 0 | 0 | 0 | 112.4 | K2 L3 W31 A131 A134 R135 | K2-N86 WeakPolarHBondContact CA-OD1 3.31Å; K2-N86 HydrophobicContact CB-CB 4.48Å; K2-N86 VanDerWaalsContact CB-OD1 3.25Å; K2-N86 WeakPolarHBondContact CB-OD1 3.5Å; L3-N86 PolarHBondContact N-OD1 3.27Å; L3-N86 WeakPolarHBondContact O-CA 3.01Å; L3-N86 WeakPolarHBondContact O-CB 2.95Å; L3-N86 PolarHBondContact O-N 2.92Å; W31-N86 HydrophobicContact CH2-CB 3.8Å; W31-N86 HydrophobicContact CZ3-CB 3.7Å; N86-A131 WeakPolarHBondContact ND2-CB 3.49Å; N86-A134 CarbonylContact O-C 3.21Å; N86-A134 VanDerWaalsContact O-CA 3.25Å; N86-A134 WeakPolarHBondContact O-CA 3.48Å; N86-R135 PolarHBondContact O-N 3.21Å |
| 87 | I | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 123.8 | 178.7 | -63.9 | 174.7 | 0 | 0 | 0 | 109.6 | L3 A4 F5 L21 Y25 W31 V89 R135 A253 | L3-I87 PolarHBondContact O-N 3.08Å; L3-I87 VanDerWaalsContact O-N 3.08Å; A4-I87 CarbonylContact C-O 3.52Å; A4-I87 VanDerWaalsContact CA-O 3.31Å; A4-I87 WeakPolarHBondContact CA-O 3.36Å; A4-I87 HydrophobicContact CB-CB 3.73Å; A4-I87 HydrophobicContact CB-CD1 4.38Å; A4-I87 HydrophobicContact CB-CG1 4.49Å; A4-I87 HydrophobicContact CB-CG2 4.22Å; F5-I87 PolarHBondContact N-O 2.89Å; L21-I87 HydrophobicContact CD2-CD1 4.02Å; Y25-I87 HydrophobicContact CE2-CD1 3.84Å; W31-I87 HydrophobicContact CH2-CD1 3.72Å; W31-I87 HydrophobicContact CH2-CG1 4.05Å; W31-I87 HydrophobicContact CZ3-CD1 3.58Å; W31-I87 HydrophobicContact CZ3-CG1 3.85Å; I87-V89 HydrophobicContact CG2-CG2 3.98Å; I87-R135 WeakPolarHBondContact CA-O 3.35Å; I87-A253 VanDerWaalsContact CD1-O 3.24Å; I87-A253 WeakPolarHBondContact CD1-O 3.34Å; I87-A253 WeakPolarHBondContact CG1-O 3.42Å; I87-A253 HydrophobicContact CG2-CB 3.76Å |
| 88 | A | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 117.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F5 I85 F126 R135 V136 V137 | F5-A88 HydrophobicContact CD1-CB 4.34Å; F5-A88 HydrophobicContact CE1-CB 3.55Å; F5-A88 HydrophobicContact CE2-CB 4.28Å; F5-A88 HydrophobicContact CZ-CB 3.5Å; I85-A88 HydrophobicContact CG2-CB 4.06Å; A88-F126 HydrophobicContact CB-CE1 4.46Å; A88-F126 HydrophobicContact CB-CE2 3.98Å; A88-F126 HydrophobicContact CB-CZ 3.9Å; A88-R135 PolarHBondContact N-O 2.98Å; A88-V136 HydrophobicContact CB-CG1 4.37Å; A88-V136 HydrophobicContact CB-CG2 4.32Å; A88-V136 CarbonylContact O-C 3.59Å; A88-V136 WeakPolarHBondContact O-CA 3.3Å; A88-V137 PolarHBondContact O-N 3.17Å |
| 89 | V | 99 | Very high | 96.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 105.7 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | F5 V6 T7 I17 I87 N91 V137 M139 A253 | F5-V89 PolarHBondContact O-N 2.83Å; V6-V89 WeakPolarHBondContact CA-O 3.45Å; V6-V89 HydrophobicContact CB-CB 4.31Å; V6-V89 HydrophobicContact CG1-CB 4.06Å; V6-V89 HydrophobicContact CG1-CG1 4.15Å; V6-V89 HydrophobicContact CG2-CB 4.04Å; V6-V89 HydrophobicContact CG2-CG2 4.23Å; T7-V89 PolarHBondContact N-O 3.48Å; I17-V89 HydrophobicContact CD1-CG1 4.05Å; I17-V89 HydrophobicContact CG2-CG2 4.38Å; I87-V89 HydrophobicContact CG2-CG2 3.98Å; V89-N91 VanDerWaalsContact C-N 3.33Å; V89-N91 HydrophobicContact CG1-CB 4.08Å; V89-N91 PolarHBondContact O-N 3.17Å; V89-V137 WeakPolarHBondContact CA-O 3.39Å; V89-V137 HydrophobicContact CG1-CB 4.25Å; V89-V137 HydrophobicContact CG2-CB 4.26Å; V89-V137 HydrophobicContact CG2-CG2 4.47Å; V89-M139 HydrophobicContact CG1-CG 4.41Å; V89-A253 HydrophobicContact CG2-CB 4.18Å |
| 90 | N | 98.9 | Very high | 96 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 83.3 | 171.5 | -76 | -43 | 0 | 0 | 0 | 109.6 | T7 T119 T123 V137 N138 M139 | T7-N90 WeakPolarHBondContact OG1-CA 3.37Å; N90-T119 HydrophobicContact CB-CG2 3.8Å; N90-T123 PolarHBondContact ND2-OG1 2.88Å; N90-V137 PolarHBondContact N-O 2.93Å; N90-N138 WeakPolarHBondContact CB-OD1 3.31Å; N90-N138 PolarHBondContact ND2-OD1 3.47Å; N90-M139 VanDerWaalsContact O-CB 3.27Å; N90-M139 WeakPolarHBondContact O-CB 3.39Å; N90-M139 WeakPolarHBondContact O-CG 3.32Å; N90-M139 PolarHBondContact O-N 2.92Å |
| 91 | N | 98.9 | Very high | 95.9 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 11% | 0.112 | 30% | 0.297 | C | S | . | . | trans | -98.5 | -27 | -178.9 | 161.6 | 90.1 | 0 | 0 | 0 | 114.3 | V6 T7 G8 G14 V89 G93 M139 | V6-N91 HydrophobicContact CG1-CB 3.89Å; T7-N91 CarbonylContact O-C 3.52Å; T7-N91 VanDerWaalsContact O-CB 3.3Å; T7-N91 WeakPolarHBondContact O-CB 3.4Å; T7-N91 PolarHBondContact O-ND2 3Å; T7-N91 PolarHBondContact OG1-N 3.12Å; G8-N91 PolarHBondContact O-ND2 2.63Å; G14-N91 WeakPolarHBondContact CA-ND2 3.47Å; G14-N91 PolarHBondContact N-OD1 3.05Å; V89-N91 VanDerWaalsContact C-N 3.33Å; V89-N91 HydrophobicContact CG1-CB 4.08Å; V89-N91 PolarHBondContact O-N 3.17Å; N91-G93 PolarHBondContact O-N 3.1Å; N91-M139 VanDerWaalsContact CA-CG 3.45Å; N91-M139 HydrophobicContact CB-CG 3.73Å | ||
| 92 | A | 98.4 | Very high | 95.8 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | trans | -53 | 134.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T7 I64 | T7-A92 PolarHBondContact O-N 3.15Å; T7-A92 VanDerWaalsContact O-N 3.13Å; T7-A92 WeakPolarHBondContact OG1-CB 3.33Å; T7-A92 PolarHBondContact OG1-N 3.21Å; I64-A92 HydrophobicContact CD1-CB 3.87Å; I64-A92 HydrophobicContact CG1-CB 4.3Å | ||
| 93 | G | 97.8 | Very high | 95.8 | Very high | 22 Ų | 22 | 47.3 Ų | 47.3 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | trans | -174.3 | 159.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N91 N115 M233 | N91-G93 PolarHBondContact O-N 3.1Å; G93-N115 WeakPolarHBondContact CA-OD1 3.33Å; G93-M233 WeakPolarHBondContact O-CE 3.4Å | ||
| 94 | I | 97.4 | Very high | 95.8 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 26% | 0.256 | 28% | 0.278 | S | S | . | . | trans | -124.7 | 158.3 | 178.3 | 62.5 | 171.4 | 0 | 0 | 0 | 110.2 | L111 T114 N115 Y194 | I94-L111 HydrophobicContact CG1-CD2 3.99Å; I94-L111 VanDerWaalsContact O-CD2 3.25Å; I94-L111 WeakPolarHBondContact O-CD2 3.18Å; I94-T114 HydrophobicContact CG1-CG2 4.31Å; I94-T114 HydrophobicContact CG2-CG2 4.29Å; I94-N115 PolarHBondContact N-OD1 2.86Å; I94-N115 PolarHBondContact O-ND2 3.33Å; I94-N115 PolarHBondContact O-OD1 3.44Å; I94-Y194 WeakPolarHBondContact O-CD2 3.32Å; I94-Y194 WeakPolarHBondContact O-CE2 3.41Å | ||
| 95 | A | 96.2 | Very high | 95.8 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 31% | 0.314 | 28% | 0.277 | S | S | . | . | trans | -143.8 | 154.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y194 M233 | A95-Y194 HydrophobicContact CB-CD2 3.76Å; A95-Y194 HydrophobicContact CB-CE2 3.89Å; A95-Y194 HydrophobicContact CB-CG 4.47Å; A95-M233 HydrophobicContact CB-CG 3.66Å; A95-M233 HydrophobicContact CB-SD 4.05Å | ||
| 96 | Y | 95 | Very high | 95.8 | Very high | 77 Ų | 77 | 50 Ų | 50 | 30% | 0.302 | 30% | 0.299 | S | S | . | . | trans | -92.9 | 147.5 | 166.1 | -72 | -78.7 | 0 | 0 | 0 | 110 | C100 V102 Q107 S110 L111 | Y96-C100 HydrophobicContact CD1-CB 4.1Å; Y96-C100 WeakPolarHBondContact CD1-SG 3.37Å; Y96-C100 HydrophobicContact CG-CB 4.38Å; Y96-V102 HydrophobicContact CE1-CB 4.21Å; Y96-V102 HydrophobicContact CE1-CG1 4.38Å; Y96-V102 HydrophobicContact CE1-CG2 4Å; Y96-Q107 HydrophobicContact CD1-CG 4.43Å; Y96-Q107 HydrophobicContact CD2-CB 3.62Å; Y96-Q107 HydrophobicContact CD2-CG 3.57Å; Y96-Q107 HydrophobicContact CE1-CG 4.49Å; Y96-Q107 VanDerWaalsContact CE2-CA 3.45Å; Y96-Q107 HydrophobicContact CE2-CB 3.61Å; Y96-Q107 HydrophobicContact CE2-CG 3.7Å; Y96-Q107 HydrophobicContact CG-CB 4.47Å; Y96-Q107 HydrophobicContact CG-CG 3.95Å; Y96-S110 WeakPolarHBondContact CE2-OG 3.3Å; Y96-S110 PolarHBondContact OH-OG 2.81Å; Y96-L111 HydrophobicContact CD2-CD1 3.86Å; Y96-L111 HydrophobicContact CD2-CD2 4.24Å; Y96-L111 HydrophobicContact CD2-CG 3.95Å; Y96-L111 HydrophobicContact CE2-CD1 4.27Å; Y96-L111 HydrophobicContact CE2-CG 3.99Å | ||
| 97 | K | 90.2 | Very high | 95.7 | Very high | 112 Ų | 112 | 50.7 Ų | 50.7 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | trans | -67.4 | 153.9 | 170.8 | -56.5 | -174.2 | -177.6 | -154.3 | 0 | 109.9 | N99 C100 D235 | K97-N99 PolarHBondContact O-N 3.02Å; K97-N99 VanDerWaalsContact O-N 3.14Å; K97-C100 WeakPolarHBondContact O-CB 3.44Å; K97-C100 PolarHBondContact O-N 2.92Å; K97-D235 VanDerWaalsContact CD-OD1 3.32Å; K97-D235 WeakPolarHBondContact CD-OD1 3.42Å; K97-D235 WeakPolarHBondContact CD-OD2 3.44Å; K97-D235 WeakPolarHBondContact CE-OD1 3.46Å; K97-D235 IonicContact NZ-OD1 3.83Å; K97-D235 PolarHBondContact NZ-OD1 2.93Å | ||
| 98 | A | 84.7 | Confident | 95.7 | Very high | 117 Ų | 117 | 50.5 Ų | 50.5 | 97% | 0.967 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -32.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 99 | N | 87 | Confident | 95.7 | Very high | 134 Ų | 134 | 57.2 Ų | 57.2 | 72% | 0.717 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 20.3 | 179.1 | 65.8 | -19.5 | 0 | 0 | 0 | 113.4 | K97 | K97-N99 PolarHBondContact O-N 3.02Å; K97-N99 VanDerWaalsContact O-N 3.14Å |
| 100 | C | 90.4 | Very high | 95.7 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | trans | -64.8 | 128 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | Y96 K97 V102 | Y96-C100 HydrophobicContact CD1-CB 4.1Å; Y96-C100 WeakPolarHBondContact CD1-SG 3.37Å; Y96-C100 HydrophobicContact CG-CB 4.38Å; K97-C100 WeakPolarHBondContact O-CB 3.44Å; K97-C100 PolarHBondContact O-N 2.92Å; C100-V102 PolarHBondContact O-N 3Å; C100-V102 VanDerWaalsContact SG-CG2 3.52Å | ||
| 101 | P | 95.3 | Very high | 95.6 | Very high | 126 Ų | 126 | 58.7 Ų | 58.7 | 82% | 0.818 | 34% | 0.337 | S | S | * | . | trans | -78.7 | -3.7 | -179.3 | 32.9 | -37.1 | 0 | 0 | 0 | 113.5 | ||||
| 102 | V | 96.2 | Very high | 95.6 | Very high | 47 Ų | 47 | 58 Ų | 58 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -64.4 | 130.4 | 179.5 | 175 | 0 | 0 | 0 | 0 | 109.1 | Y96 C100 N106 Q107 | Y96-V102 HydrophobicContact CE1-CB 4.21Å; Y96-V102 HydrophobicContact CE1-CG1 4.38Å; Y96-V102 HydrophobicContact CE1-CG2 4Å; C100-V102 PolarHBondContact O-N 3Å; C100-V102 VanDerWaalsContact SG-CG2 3.52Å; V102-N106 HydrophobicContact CG1-CB 3.57Å; V102-Q107 HydrophobicContact CB-CG 3.95Å; V102-Q107 HydrophobicContact CG1-CG 3.76Å; V102-Q107 PolarHBondContact O-NE2 3.11Å |
| 103 | P | 96.8 | Very high | 95.6 | Very high | 81 Ų | 81 | 60.6 Ų | 60.6 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | trans | -54.7 | 143.9 | 177.9 | -28.1 | 35.3 | 0 | 0 | 0 | 113 | G105 N106 Q107 | P103-G105 VanDerWaalsContact C-N 3.29Å; P103-G105 PolarHBondContact O-N 3.36Å; P103-N106 WeakPolarHBondContact O-CA 3.36Å; P103-N106 WeakPolarHBondContact O-CB 3.46Å; P103-N106 PolarHBondContact O-N 3.5Å; P103-Q107 PolarHBondContact O-N 2.65Å | ||
| 104 | F | 96.8 | Very high | 95.7 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 23% | 0.232 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -54 | -41.7 | -174.9 | -179.1 | -108.3 | 0 | 0 | 0 | 113.5 | N106 Q107 A108 F175 A179 Y184 S191 A193 | F104-N106 PolarHBondContact O-N 3.23Å; F104-Q107 WeakPolarHBondContact O-CB 3.45Å; F104-Q107 PolarHBondContact O-N 2.82Å; F104-A108 WeakPolarHBondContact O-CB 3.36Å; F104-A108 PolarHBondContact O-N 3.09Å; F104-F175 HydrophobicContact CE1-CZ 4.48Å; F104-F175 HydrophobicContact CZ-CE2 4.47Å; F104-F175 HydrophobicContact CZ-CZ 4.15Å; F104-A179 HydrophobicContact CD1-CB 3.8Å; F104-A179 HydrophobicContact CE1-CB 3.64Å; F104-Y184 HydrophobicContact CD1-CD1 4.03Å; F104-Y184 AromaticContact CD1-CE1 3.76Å; F104-Y184 HydrophobicContact CD1-CE1 3.76Å; F104-Y184 AromaticContact CE1-CD1 3.73Å; F104-Y184 HydrophobicContact CE1-CD1 3.73Å; F104-Y184 HydrophobicContact CE1-CD2 4.21Å; F104-Y184 AromaticContact CE1-CE1 3.69Å; F104-Y184 HydrophobicContact CE1-CE1 3.69Å; F104-Y184 HydrophobicContact CE1-CE2 4.21Å; F104-Y184 AromaticContact CE1-CG 3.99Å; F104-Y184 HydrophobicContact CE1-CG 3.99Å; F104-Y184 AromaticContact CE1-CZ 3.94Å; F104-S191 WeakPolarHBondContact CE2-O 3.33Å; F104-A193 HydrophobicContact CE2-CB 3.93Å; F104-A193 HydrophobicContact CZ-CB 4.2Å |
| 105 | G | 97.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P103 Q107 A108 R109 | P103-G105 VanDerWaalsContact C-N 3.29Å; P103-G105 PolarHBondContact O-N 3.36Å; G105-Q107 VanDerWaalsContact C-N 3.32Å; G105-Q107 PolarHBondContact O-N 3.1Å; G105-A108 WeakPolarHBondContact O-CB 3.5Å; G105-A108 PolarHBondContact O-N 3.31Å; G105-R109 PolarHBondContact O-N 2.91Å |
| 106 | N | 98.2 | Very high | 95.9 | Very high | 88 Ų | 88 | 56.3 Ų | 56.3 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | 176.3 | -68.1 | -3.7 | 0 | 0 | 0 | 111.3 | V102 P103 F104 S110 | V102-N106 HydrophobicContact CG1-CB 3.57Å; P103-N106 WeakPolarHBondContact O-CA 3.36Å; P103-N106 WeakPolarHBondContact O-CB 3.46Å; P103-N106 PolarHBondContact O-N 3.5Å; F104-N106 PolarHBondContact O-N 3.23Å; N106-S110 PolarHBondContact O-N 3.39Å; N106-S110 PolarHBondContact O-OG 2.65Å |
| 107 | Q | 98.1 | Very high | 96 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 172.3 | -61 | -172 | 31.1 | 0 | 0 | 111.2 | Y96 V102 P103 F104 G105 R109 S110 L111 | Y96-Q107 HydrophobicContact CD1-CG 4.43Å; Y96-Q107 HydrophobicContact CD2-CB 3.62Å; Y96-Q107 HydrophobicContact CD2-CG 3.57Å; Y96-Q107 HydrophobicContact CE1-CG 4.49Å; Y96-Q107 VanDerWaalsContact CE2-CA 3.45Å; Y96-Q107 HydrophobicContact CE2-CB 3.61Å; Y96-Q107 HydrophobicContact CE2-CG 3.7Å; Y96-Q107 HydrophobicContact CG-CB 4.47Å; Y96-Q107 HydrophobicContact CG-CG 3.95Å; V102-Q107 HydrophobicContact CB-CG 3.95Å; V102-Q107 HydrophobicContact CG1-CG 3.76Å; V102-Q107 PolarHBondContact O-NE2 3.11Å; P103-Q107 PolarHBondContact O-N 2.65Å; F104-Q107 WeakPolarHBondContact O-CB 3.45Å; F104-Q107 PolarHBondContact O-N 2.82Å; G105-Q107 VanDerWaalsContact C-N 3.32Å; G105-Q107 PolarHBondContact O-N 3.1Å; Q107-R109 PolarHBondContact O-N 3.18Å; Q107-S110 PolarHBondContact O-N 3.31Å; Q107-S110 PolarHBondContact O-OG 2.97Å; Q107-L111 HydrophobicContact CB-CD1 4.27Å; Q107-L111 WeakPolarHBondContact O-CB 3.4Å; Q107-L111 WeakPolarHBondContact O-CD1 3.2Å; Q107-L111 WeakPolarHBondContact O-CG 3.46Å; Q107-L111 PolarHBondContact O-N 3.1Å |
| 108 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | F104 G105 M112 F175 A179 A193 | F104-A108 WeakPolarHBondContact O-CB 3.36Å; F104-A108 PolarHBondContact O-N 3.09Å; G105-A108 WeakPolarHBondContact O-CB 3.5Å; G105-A108 PolarHBondContact O-N 3.31Å; A108-M112 WeakPolarHBondContact O-CB 3.49Å; A108-M112 PolarHBondContact O-N 3.26Å; A108-F175 HydrophobicContact CB-CE1 3.75Å; A108-F175 HydrophobicContact CB-CZ 4.14Å; A108-A179 HydrophobicContact CB-CB 3.55Å; A108-A193 HydrophobicContact CB-CB 3.92Å |
| 109 | R | 98.6 | Very high | 97.1 | Very high | 140 Ų | 140 | 44 Ų | 44 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.3 | -52.5 | 177.4 | -177.3 | -177.1 | -67.5 | -85.6 | 5.6 | 112.2 | G105 Q107 N113 V176 E180 | G105-R109 PolarHBondContact O-N 2.91Å; Q107-R109 PolarHBondContact O-N 3.18Å; R109-N113 WeakPolarHBondContact O-CB 3.23Å; R109-N113 PolarHBondContact O-N 3.49Å; R109-V176 HydrophobicContact CB-CG1 3.89Å; R109-V176 HydrophobicContact CG-CG1 4.38Å; R109-E180 IonicContact CZ-OE1 2.98Å; R109-E180 IonicContact CZ-OE2 3.6Å; R109-E180 IonicContact NE-OE1 2.67Å; R109-E180 PolarHBondContact NE-OE1 2.87Å; R109-E180 IonicContact NH2-OE1 2.64Å; R109-E180 PolarHBondContact NH2-OE1 2.77Å; R109-E180 IonicContact NH2-OE2 2.74Å; R109-E180 PolarHBondContact NH2-OE2 2.88Å |
| 110 | S | 98.1 | Very high | 97.7 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 22% | 0.217 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70 | -42.7 | -175.9 | 62 | 0 | 0 | 0 | 0 | 112.3 | Y96 N106 Q107 N113 T114 | Y96-S110 WeakPolarHBondContact CE2-OG 3.3Å; Y96-S110 PolarHBondContact OH-OG 2.81Å; N106-S110 PolarHBondContact O-N 3.39Å; N106-S110 PolarHBondContact O-OG 2.65Å; Q107-S110 PolarHBondContact O-N 3.31Å; Q107-S110 PolarHBondContact O-OG 2.97Å; S110-N113 PolarHBondContact O-N 3.14Å; S110-T114 PolarHBondContact O-N 3.04Å; S110-T114 VanDerWaalsContact O-N 3.13Å |
| 111 | L | 98.5 | Very high | 98.1 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.4 | -71.5 | 166.1 | 0 | 0 | 0 | 111.2 | I94 Y96 Q107 N113 N115 A193 Y194 | I94-L111 HydrophobicContact CG1-CD2 3.99Å; I94-L111 VanDerWaalsContact O-CD2 3.25Å; I94-L111 WeakPolarHBondContact O-CD2 3.18Å; Y96-L111 HydrophobicContact CD2-CD1 3.86Å; Y96-L111 HydrophobicContact CD2-CD2 4.24Å; Y96-L111 HydrophobicContact CD2-CG 3.95Å; Y96-L111 HydrophobicContact CE2-CD1 4.27Å; Y96-L111 HydrophobicContact CE2-CG 3.99Å; Q107-L111 HydrophobicContact CB-CD1 4.27Å; Q107-L111 WeakPolarHBondContact O-CB 3.4Å; Q107-L111 WeakPolarHBondContact O-CD1 3.2Å; Q107-L111 WeakPolarHBondContact O-CG 3.46Å; Q107-L111 PolarHBondContact O-N 3.1Å; L111-N113 VanDerWaalsContact C-N 3.35Å; L111-N115 WeakPolarHBondContact O-CB 3.49Å; L111-N115 PolarHBondContact O-N 3.39Å; L111-A193 HydrophobicContact CD1-CB 3.66Å; L111-Y194 HydrophobicContact CD2-CD2 4.15Å |
| 112 | M | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.03 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 178.8 | -165.5 | 59.8 | 71.5 | 0 | 0 | 111.4 | A108 F116 T117 M172 F175 V176 V196 | A108-M112 WeakPolarHBondContact O-CB 3.49Å; A108-M112 PolarHBondContact O-N 3.26Å; M112-F116 HydrophobicContact CG-CB 4.41Å; M112-F116 HydrophobicContact CG-CD1 4.18Å; M112-F116 WeakPolarHBondContact O-CB 3.46Å; M112-F116 PolarHBondContact O-N 2.97Å; M112-F116 HydrophobicContact SD-CB 3.44Å; M112-F116 WeakPolarHBondContact SD-CB 3.44Å; M112-F116 HydrophobicContact SD-CD1 3.59Å; M112-F116 VanDerWaalsContact SD-CD1 3.59Å; M112-F116 HydrophobicContact SD-CG 3.66Å; M112-T117 PolarHBondContact O-N 3.09Å; M112-T117 PolarHBondContact O-OG1 2.93Å; M112-M172 HydrophobicContact CE-CB 4.1Å; M112-M172 HydrophobicContact CE-CG 4.23Å; M112-M172 HydrophobicContact CE-SD 3.51Å; M112-M172 VanDerWaalsContact CE-SD 3.51Å; M112-M172 HydrophobicContact CG-CB 4.16Å; M112-M172 HydrophobicContact SD-CB 3.71Å; M112-M172 HydrophobicContact SD-CG 3.86Å; M112-M172 HydrophobicContact SD-SD 3.8Å; M112-F175 HydrophobicContact CE-CD1 3.49Å; M112-F175 VanDerWaalsContact CE-CD1 3.49Å; M112-F175 HydrophobicContact CE-CE1 4.03Å; M112-F175 HydrophobicContact CE-CG 4.47Å; M112-V176 HydrophobicContact CB-CG2 3.58Å; M112-V176 HydrophobicContact CG-CG2 3.8Å; M112-V196 HydrophobicContact CE-CG1 3.97Å |
| 113 | N | 98.7 | Very high | 98.4 | Very high | 72 Ų | 72 | 29.9 Ų | 29.9 | 39% | 0.385 | 16% | 0.157 | S | C | . | . | I | π-helix | trans | -58 | -55.6 | 177.2 | -173.9 | 49.8 | 0 | 0 | 0 | 111.6 | R109 S110 L111 T117 S118 | R109-N113 WeakPolarHBondContact O-CB 3.23Å; R109-N113 PolarHBondContact O-N 3.49Å; S110-N113 PolarHBondContact O-N 3.14Å; L111-N113 VanDerWaalsContact C-N 3.35Å; N113-T117 PolarHBondContact O-N 3Å; N113-S118 WeakPolarHBondContact O-CB 3.35Å; N113-S118 PolarHBondContact O-N 3.03Å; N113-S118 PolarHBondContact O-OG 2.87Å |
| 114 | T | 98.6 | Very high | 98.5 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 13% | 0.129 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -76.4 | -52.8 | -175.5 | -55 | 0 | 0 | 0 | 0 | 112.9 | I64 T65 I94 S110 F116 T119 | I64-T114 HydrophobicContact CD1-CG2 4.18Å; I64-T114 WeakPolarHBondContact CD1-O 3.13Å; T65-T114 HydrophobicContact CG2-CG2 4.04Å; T65-T114 WeakPolarHBondContact CG2-OG1 3.17Å; I94-T114 HydrophobicContact CG1-CG2 4.31Å; I94-T114 HydrophobicContact CG2-CG2 4.29Å; S110-T114 PolarHBondContact O-N 3.04Å; S110-T114 VanDerWaalsContact O-N 3.13Å; T114-F116 VanDerWaalsContact C-N 3.33Å; T114-F116 PolarHBondContact O-N 2.87Å; T114-T119 PolarHBondContact O-OG1 2.87Å; T114-T119 VanDerWaalsContact O-OG1 3.05Å |
| 115 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -78.2 | -18.9 | -168.3 | -62.7 | -9.6 | 0 | 0 | 0 | 113.5 | G93 I94 L111 S197 | G93-N115 WeakPolarHBondContact CA-OD1 3.33Å; I94-N115 PolarHBondContact N-OD1 2.86Å; I94-N115 PolarHBondContact O-ND2 3.33Å; I94-N115 PolarHBondContact O-OD1 3.44Å; L111-N115 WeakPolarHBondContact O-CB 3.49Å; L111-N115 PolarHBondContact O-N 3.39Å; N115-S197 WeakPolarHBondContact CB-OG 3.39Å; N115-S197 PolarHBondContact ND2-OG 3.28Å; N115-S197 VanDerWaalsContact ND2-OG 3.16Å |
| 116 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -122.2 | -73 | -179.1 | 172.8 | -99.8 | 0 | 0 | 0 | 110.9 | M112 T114 S118 T119 V120 L168 K169 M172 G200 A204 | M112-F116 HydrophobicContact CG-CB 4.41Å; M112-F116 HydrophobicContact CG-CD1 4.18Å; M112-F116 WeakPolarHBondContact O-CB 3.46Å; M112-F116 PolarHBondContact O-N 2.97Å; M112-F116 HydrophobicContact SD-CB 3.44Å; M112-F116 WeakPolarHBondContact SD-CB 3.44Å; M112-F116 HydrophobicContact SD-CD1 3.59Å; M112-F116 VanDerWaalsContact SD-CD1 3.59Å; M112-F116 HydrophobicContact SD-CG 3.66Å; T114-F116 VanDerWaalsContact C-N 3.33Å; T114-F116 PolarHBondContact O-N 2.87Å; F116-S118 PolarHBondContact O-N 3.48Å; F116-T119 PolarHBondContact O-N 3.11Å; F116-T119 VanDerWaalsContact O-N 3.1Å; F116-V120 HydrophobicContact CD2-CG2 3.85Å; F116-V120 HydrophobicContact CE2-CG2 3.7Å; F116-V120 HydrophobicContact CG-CG2 4.49Å; F116-V120 HydrophobicContact CZ-CG2 4.19Å; F116-V120 WeakPolarHBondContact O-CB 3.44Å; F116-V120 VanDerWaalsContact O-CG2 3.3Å; F116-V120 WeakPolarHBondContact O-CG2 3.34Å; F116-V120 PolarHBondContact O-N 3.23Å; F116-L168 HydrophobicContact CE2-CD2 3.75Å; F116-L168 HydrophobicContact CE2-CG 3.98Å; F116-L168 HydrophobicContact CZ-CD2 4Å; F116-L168 HydrophobicContact CZ-CG 3.81Å; F116-K169 HydrophobicContact CE1-CG 4.11Å; F116-K169 HydrophobicContact CZ-CG 4.16Å; F116-M172 HydrophobicContact CD1-CB 3.84Å; F116-M172 HydrophobicContact CD1-CG 3.7Å; F116-M172 HydrophobicContact CD2-CG 4.27Å; F116-M172 HydrophobicContact CE1-CB 3.59Å; F116-M172 HydrophobicContact CE1-CG 3.39Å; F116-M172 HydrophobicContact CE2-CG 3.98Å; F116-M172 HydrophobicContact CG-CG 4.14Å; F116-M172 HydrophobicContact CZ-CB 4.22Å; F116-M172 HydrophobicContact CZ-CG 3.54Å; F116-G200 WeakPolarHBondContact CE2-O 3.3Å; F116-A204 HydrophobicContact CE2-CB 4.16Å |
| 117 | T | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 26.6 Ų | 26.6 | 26% | 0.258 | 13% | 0.131 | S | C | . | . | I | π-helix | trans | -56.3 | -56.8 | -167.5 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | M112 N113 T119 V120 D121 | M112-T117 PolarHBondContact O-N 3.09Å; M112-T117 PolarHBondContact O-OG1 2.93Å; N113-T117 PolarHBondContact O-N 3Å; T117-T119 VanDerWaalsContact C-N 3.3Å; T117-T119 PolarHBondContact O-N 3.39Å; T117-V120 PolarHBondContact O-N 2.92Å; T117-D121 WeakPolarHBondContact O-CB 3.35Å; T117-D121 PolarHBondContact O-N 3.47Å |
| 118 | S | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -62.7 | -34.4 | 179.6 | -67.5 | 0 | 0 | 0 | 0 | 113.4 | I64 T65 N113 F116 F122 | I64-S118 VanDerWaalsContact O-CB 3.25Å; I64-S118 WeakPolarHBondContact O-CB 3.43Å; T65-S118 WeakPolarHBondContact CA-OG 3.31Å; N113-S118 WeakPolarHBondContact O-CB 3.35Å; N113-S118 PolarHBondContact O-N 3.03Å; N113-S118 PolarHBondContact O-OG 2.87Å; F116-S118 PolarHBondContact O-N 3.48Å; S118-F122 VanDerWaalsContact O-CB 3.24Å; S118-F122 WeakPolarHBondContact O-CB 3.35Å; S118-F122 PolarHBondContact O-N 2.91Å |
| 119 | T | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.2 | -41.2 | 177.5 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | N90 T114 F116 T117 T123 L201 | N90-T119 HydrophobicContact CB-CG2 3.8Å; T114-T119 PolarHBondContact O-OG1 2.87Å; T114-T119 VanDerWaalsContact O-OG1 3.05Å; F116-T119 PolarHBondContact O-N 3.11Å; F116-T119 VanDerWaalsContact O-N 3.1Å; T117-T119 VanDerWaalsContact C-N 3.3Å; T117-T119 PolarHBondContact O-N 3.39Å; T119-T123 WeakPolarHBondContact O-CB 3.17Å; T119-T123 PolarHBondContact O-N 2.79Å; T119-T123 PolarHBondContact O-OG1 3Å; T119-L201 HydrophobicContact CG2-CD1 3.59Å; T119-L201 HydrophobicContact CG2-CD2 4.34Å |
| 120 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.8 | -48 | 178 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | F116 T117 F122 T123 E124 L165 L201 A204 F208 | F116-V120 HydrophobicContact CD2-CG2 3.85Å; F116-V120 HydrophobicContact CE2-CG2 3.7Å; F116-V120 HydrophobicContact CG-CG2 4.49Å; F116-V120 HydrophobicContact CZ-CG2 4.19Å; F116-V120 WeakPolarHBondContact O-CB 3.44Å; F116-V120 VanDerWaalsContact O-CG2 3.3Å; F116-V120 WeakPolarHBondContact O-CG2 3.34Å; F116-V120 PolarHBondContact O-N 3.23Å; T117-V120 PolarHBondContact O-N 2.92Å; V120-F122 VanDerWaalsContact C-N 3.34Å; V120-F122 PolarHBondContact O-N 3.01Å; V120-T123 WeakPolarHBondContact O-CB 3.32Å; V120-T123 PolarHBondContact O-N 3.04Å; V120-T123 VanDerWaalsContact O-N 3.09Å; V120-E124 WeakPolarHBondContact CG1-OE2 3.47Å; V120-E124 PolarHBondContact O-N 2.85Å; V120-L165 HydrophobicContact CG1-CD2 4.02Å; V120-L201 HydrophobicContact CG2-CD1 4.48Å; V120-A204 HydrophobicContact CG2-CB 3.56Å; V120-F208 HydrophobicContact CG1-CE2 4.24Å; V120-F208 HydrophobicContact CG1-CZ 3.94Å |
| 121 | D | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 23.2 Ų | 23.2 | 23% | 0.225 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 177 | -67.7 | -15.2 | 0 | 0 | 0 | 110.6 | T117 T123 E124 E125 K169 | T117-D121 WeakPolarHBondContact O-CB 3.35Å; T117-D121 PolarHBondContact O-N 3.47Å; D121-T123 VanDerWaalsContact C-N 3.28Å; D121-T123 PolarHBondContact O-N 3Å; D121-E124 PolarHBondContact O-N 2.8Å; D121-E125 WeakPolarHBondContact O-CB 3.34Å; D121-E125 WeakPolarHBondContact O-CG 3.44Å; D121-E125 PolarHBondContact O-N 2.94Å; D121-K169 IonicContact OD1-NZ 2.66Å; D121-K169 PolarHBondContact OD1-NZ 3.04Å |
| 122 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 176.6 | -171.9 | -137.1 | 0 | 0 | 0 | 112.6 | F5 T7 L62 I64 R70 F73 L74 S118 V120 E125 F126 | F5-F122 AromaticContact CE2-CE1 3.64Å; F5-F122 HydrophobicContact CE2-CE1 3.64Å; F5-F122 HydrophobicContact CE2-CZ 4.12Å; F5-F122 AromaticContact CZ-CE1 3.75Å; F5-F122 HydrophobicContact CZ-CE1 3.75Å; F5-F122 AromaticContact CZ-CZ 4Å; F5-F122 HydrophobicContact CZ-CZ 4Å; T7-F122 HydrophobicContact CG2-CD1 4.32Å; T7-F122 HydrophobicContact CG2-CE1 3.82Å; L62-F122 HydrophobicContact CD1-CE2 4.35Å; L62-F122 HydrophobicContact CD1-CZ 4.23Å; L62-F122 HydrophobicContact CD2-CE1 3.71Å; L62-F122 HydrophobicContact CD2-CZ 3.62Å; I64-F122 HydrophobicContact CG2-CD1 4.13Å; R70-F122 HydrophobicContact CB-CD2 3.95Å; R70-F122 HydrophobicContact CB-CE2 4.25Å; R70-F122 HydrophobicContact CG-CD2 3.87Å; R70-F122 HydrophobicContact CG-CE2 4.4Å; R70-F122 HydrophobicContact CG-CG 4.38Å; F73-F122 HydrophobicContact CD1-CE2 4.08Å; F73-F122 AromaticContact CD1-CZ 3.7Å; F73-F122 HydrophobicContact CD1-CZ 3.7Å; F73-F122 AromaticContact CE1-CZ 3.93Å; F73-F122 HydrophobicContact CE1-CZ 3.93Å; L74-F122 HydrophobicContact CD1-CD2 4.41Å; L74-F122 HydrophobicContact CD1-CE2 4.17Å; L74-F122 HydrophobicContact CD2-CE2 3.82Å; L74-F122 HydrophobicContact CD2-CZ 4.38Å; L74-F122 HydrophobicContact CG-CE2 4.01Å; S118-F122 VanDerWaalsContact O-CB 3.24Å; S118-F122 WeakPolarHBondContact O-CB 3.35Å; S118-F122 PolarHBondContact O-N 2.91Å; V120-F122 VanDerWaalsContact C-N 3.34Å; V120-F122 PolarHBondContact O-N 3.01Å; F122-E125 PolarHBondContact O-N 3.28Å; F122-F126 AromaticContact CD1-CD1 3.8Å; F122-F126 HydrophobicContact CD1-CD1 3.8Å; F122-F126 AromaticContact CD1-CE1 3.81Å; F122-F126 HydrophobicContact CD1-CE1 3.81Å; F122-F126 HydrophobicContact CD2-CD1 4.14Å; F122-F126 AromaticContact CE1-CD1 3.8Å; F122-F126 HydrophobicContact CE1-CD1 3.8Å; F122-F126 AromaticContact CE1-CE1 3.99Å; F122-F126 HydrophobicContact CE1-CE1 3.99Å; F122-F126 HydrophobicContact CE2-CD1 4.17Å; F122-F126 AromaticContact CG-CD1 3.97Å; F122-F126 HydrophobicContact CG-CD1 3.97Å; F122-F126 HydrophobicContact CG-CE1 4.29Å; F122-F126 AromaticContact CZ-CD1 3.99Å; F122-F126 HydrophobicContact CZ-CD1 3.99Å; F122-F126 WeakPolarHBondContact O-CD1 3.33Å; F122-F126 WeakPolarHBondContact O-CG 3.48Å; F122-F126 PolarHBondContact O-N 3.38Å |
| 123 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -44.9 | 177.1 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | N90 T119 V120 D121 E125 F126 I127 F208 I221 | N90-T123 PolarHBondContact ND2-OG1 2.88Å; T119-T123 WeakPolarHBondContact O-CB 3.17Å; T119-T123 PolarHBondContact O-N 2.79Å; T119-T123 PolarHBondContact O-OG1 3Å; V120-T123 WeakPolarHBondContact O-CB 3.32Å; V120-T123 PolarHBondContact O-N 3.04Å; V120-T123 VanDerWaalsContact O-N 3.09Å; D121-T123 VanDerWaalsContact C-N 3.28Å; D121-T123 PolarHBondContact O-N 3Å; T123-E125 VanDerWaalsContact C-N 3.29Å; T123-E125 PolarHBondContact O-N 2.93Å; T123-F126 VanDerWaalsContact CA-CE1 3.49Å; T123-F126 HydrophobicContact CG2-CE2 4.06Å; T123-F126 HydrophobicContact CG2-CZ 3.81Å; T123-F126 PolarHBondContact O-N 2.98Å; T123-I127 HydrophobicContact CG2-CD1 4.09Å; T123-I127 HydrophobicContact CG2-CG1 4.39Å; T123-I127 WeakPolarHBondContact O-CG1 3.35Å; T123-I127 PolarHBondContact O-N 2.85Å; T123-F208 HydrophobicContact CG2-CD1 4.36Å; T123-F208 HydrophobicContact CG2-CD2 3.85Å; T123-F208 HydrophobicContact CG2-CE1 4.09Å; T123-F208 HydrophobicContact CG2-CE2 3.57Å; T123-F208 HydrophobicContact CG2-CG 4.25Å; T123-F208 HydrophobicContact CG2-CZ 3.7Å; T123-I221 HydrophobicContact CG2-CD1 4.25Å |
| 124 | E | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 28.2 Ų | 28.2 | 35% | 0.346 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.1 | -43.7 | 172.9 | -74.5 | 173.9 | 94.4 | 0 | 0 | 111.5 | V120 D121 F126 P128 L165 K169 F208 | V120-E124 WeakPolarHBondContact CG1-OE2 3.47Å; V120-E124 PolarHBondContact O-N 2.85Å; D121-E124 PolarHBondContact O-N 2.8Å; E124-F126 PolarHBondContact O-N 3.36Å; E124-P128 WeakPolarHBondContact O-CD 3.33Å; E124-L165 HydrophobicContact CG-CD1 3.93Å; E124-K169 IonicContact OE1-NZ 2.89Å; E124-K169 VanDerWaalsContact OE2-CE 3.3Å; E124-K169 WeakPolarHBondContact OE2-CE 3.28Å; E124-K169 IonicContact OE2-NZ 3.33Å; E124-K169 PolarHBondContact OE2-NZ 3.09Å; E124-F208 HydrophobicContact CG-CE1 3.6Å; E124-F208 HydrophobicContact CG-CZ 3.77Å |
| 125 | E | 98.8 | Very high | 98.5 | Very high | 59 Ų | 59 | 27.9 Ų | 27.9 | 28% | 0.276 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.7 | -36.4 | -178.8 | -68.8 | 163.6 | -176.5 | 0 | 0 | 112.8 | R70 L74 D121 F122 T123 | R70-E125 WeakPolarHBondContact CB-OE2 3.23Å; R70-E125 WeakPolarHBondContact CD-OE2 3.45Å; R70-E125 IonicContact CZ-OE1 3.96Å; R70-E125 IonicContact CZ-OE2 3.41Å; R70-E125 IonicContact NE-OE1 2.69Å; R70-E125 PolarHBondContact NE-OE1 2.84Å; R70-E125 VanDerWaalsContact NE-OE1 3.14Å; R70-E125 IonicContact NE-OE2 3.14Å; R70-E125 PolarHBondContact NE-OE2 2.8Å; R70-E125 IonicContact NH2-OE1 2.65Å; R70-E125 PolarHBondContact NH2-OE1 3.28Å; R70-E125 IonicContact NH2-OE2 2.78Å; L74-E125 HydrophobicContact CD1-CB 3.48Å; L74-E125 VanDerWaalsContact CD1-CB 3.48Å; D121-E125 WeakPolarHBondContact O-CB 3.34Å; D121-E125 WeakPolarHBondContact O-CG 3.44Å; D121-E125 PolarHBondContact O-N 2.94Å; F122-E125 PolarHBondContact O-N 3.28Å; T123-E125 VanDerWaalsContact C-N 3.29Å; T123-E125 PolarHBondContact O-N 2.93Å |
| 126 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -92.4 | -14.4 | -178.1 | 73.6 | -124.7 | 0 | 0 | 0 | 115.2 | F5 L74 I85 A88 F122 T123 E124 P128 L129 L130 V136 | F5-F126 AromaticContact CZ-CD1 3.99Å; F5-F126 HydrophobicContact CZ-CD1 3.99Å; F5-F126 AromaticContact CZ-CE1 3.97Å; F5-F126 HydrophobicContact CZ-CE1 3.97Å; L74-F126 HydrophobicContact CD1-CB 4.46Å; L74-F126 HydrophobicContact CD2-CB 3.56Å; I85-F126 HydrophobicContact CD1-CB 3.92Å; I85-F126 HydrophobicContact CD1-CG 4.48Å; A88-F126 HydrophobicContact CB-CE1 4.46Å; A88-F126 HydrophobicContact CB-CE2 3.98Å; A88-F126 HydrophobicContact CB-CZ 3.9Å; F122-F126 AromaticContact CD1-CD1 3.8Å; F122-F126 HydrophobicContact CD1-CD1 3.8Å; F122-F126 AromaticContact CD1-CE1 3.81Å; F122-F126 HydrophobicContact CD1-CE1 3.81Å; F122-F126 HydrophobicContact CD2-CD1 4.14Å; F122-F126 AromaticContact CE1-CD1 3.8Å; F122-F126 HydrophobicContact CE1-CD1 3.8Å; F122-F126 AromaticContact CE1-CE1 3.99Å; F122-F126 HydrophobicContact CE1-CE1 3.99Å; F122-F126 HydrophobicContact CE2-CD1 4.17Å; F122-F126 AromaticContact CG-CD1 3.97Å; F122-F126 HydrophobicContact CG-CD1 3.97Å; F122-F126 HydrophobicContact CG-CE1 4.29Å; F122-F126 AromaticContact CZ-CD1 3.99Å; F122-F126 HydrophobicContact CZ-CD1 3.99Å; F122-F126 WeakPolarHBondContact O-CD1 3.33Å; F122-F126 WeakPolarHBondContact O-CG 3.48Å; F122-F126 PolarHBondContact O-N 3.38Å; T123-F126 VanDerWaalsContact CA-CE1 3.49Å; T123-F126 HydrophobicContact CG2-CE2 4.06Å; T123-F126 HydrophobicContact CG2-CZ 3.81Å; T123-F126 PolarHBondContact O-N 2.98Å; E124-F126 PolarHBondContact O-N 3.36Å; F126-P128 VanDerWaalsContact C-CD 3.47Å; F126-P128 VanDerWaalsContact C-N 3.33Å; F126-L129 CarbonylContact O-C 3.31Å; F126-L129 WeakPolarHBondContact O-CA 3.24Å; F126-L129 WeakPolarHBondContact O-CB 3.45Å; F126-L129 PolarHBondContact O-N 2.98Å; F126-L130 HydrophobicContact CD2-CD1 4.42Å; F126-L130 HydrophobicContact CD2-CD2 3.85Å; F126-L130 HydrophobicContact CD2-CG 4.14Å; F126-L130 HydrophobicContact CE2-CD1 4.4Å; F126-L130 HydrophobicContact CE2-CD2 4.04Å; F126-L130 HydrophobicContact CE2-CG 4.5Å; F126-L130 PolarHBondContact O-N 3.46Å; F126-V136 HydrophobicContact CE2-CG1 4.06Å; F126-V136 HydrophobicContact CE2-CG2 4.08Å; F126-V136 HydrophobicContact CZ-CG1 3.9Å |
| 127 | I | 98.6 | Very high | 98.5 | Very high | 26 Ų | 26 | 28 Ų | 28 | 13% | 0.133 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -52.6 | -43.4 | 178.7 | -85.5 | 164.8 | 0 | 0 | 0 | 113 | T123 L129 L130 F208 L212 R217 | T123-I127 HydrophobicContact CG2-CD1 4.09Å; T123-I127 HydrophobicContact CG2-CG1 4.39Å; T123-I127 WeakPolarHBondContact O-CG1 3.35Å; T123-I127 PolarHBondContact O-N 2.85Å; I127-L129 PolarHBondContact O-N 2.92Å; I127-L130 HydrophobicContact CB-CD1 4.43Å; I127-L130 HydrophobicContact CG1-CD1 4Å; I127-L130 WeakPolarHBondContact O-CB 3.34Å; I127-L130 PolarHBondContact O-N 3.13Å; I127-L130 VanDerWaalsContact O-N 3.17Å; I127-F208 HydrophobicContact CD1-CD1 3.5Å; I127-F208 HydrophobicContact CD1-CE1 3.7Å; I127-F208 HydrophobicContact CD1-CG 4.33Å; I127-L212 HydrophobicContact CD1-CD1 4.39Å; I127-L212 HydrophobicContact CG2-CD2 4.17Å; I127-R217 PolarHBondContact O-NH1 3.07Å |
| 128 | P | 98.4 | Very high | 98.5 | Very high | 92 Ų | 92 | 26 Ų | 26 | 60% | 0.597 | 14% | 0.135 | S | C | * | . | G | 310 helix | trans | -60.3 | -27.8 | 175.7 | -25.9 | 36.1 | 0 | 0 | 0 | 113.5 | E124 F126 R217 | E124-P128 WeakPolarHBondContact O-CD 3.33Å; F126-P128 VanDerWaalsContact C-CD 3.47Å; F126-P128 VanDerWaalsContact C-N 3.33Å; P128-R217 PolarHBondContact O-NH1 3.2Å |
| 129 | L | 98.7 | Very high | 98.5 | Very high | 35 Ų | 35 | 26.2 Ų | 26.2 | 18% | 0.183 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -92 | 3.7 | -179.1 | -57.3 | -177.7 | 0 | 0 | 0 | 113.3 | L74 V77 E78 G84 I85 F126 I127 | L74-L129 HydrophobicContact CB-CD1 3.89Å; L74-L129 HydrophobicContact CD2-CD1 4.02Å; L74-L129 HydrophobicContact CG-CD1 4.43Å; V77-L129 HydrophobicContact CG1-CD1 4.4Å; E78-L129 HydrophobicContact CB-CD1 4.46Å; E78-L129 HydrophobicContact CB-CD2 4.24Å; E78-L129 HydrophobicContact CG-CD2 4.29Å; G84-L129 CarbonylContact C-O 3.59Å; G84-L129 WeakPolarHBondContact CA-O 3.43Å; I85-L129 HydrophobicContact CD1-CB 3.92Å; I85-L129 PolarHBondContact N-O 3.03Å; F126-L129 CarbonylContact O-C 3.31Å; F126-L129 WeakPolarHBondContact O-CA 3.24Å; F126-L129 WeakPolarHBondContact O-CB 3.45Å; F126-L129 PolarHBondContact O-N 2.98Å; I127-L129 PolarHBondContact O-N 2.92Å |
| 130 | L | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 134.5 | 175.9 | -68.2 | 175.6 | 0 | 0 | 0 | 111.1 | I85 F126 I127 A134 V136 R217 I219 | I85-L130 HydrophobicContact CB-CD2 4.05Å; I85-L130 HydrophobicContact CG2-CD2 4.08Å; F126-L130 HydrophobicContact CD2-CD1 4.42Å; F126-L130 HydrophobicContact CD2-CD2 3.85Å; F126-L130 HydrophobicContact CD2-CG 4.14Å; F126-L130 HydrophobicContact CE2-CD1 4.4Å; F126-L130 HydrophobicContact CE2-CD2 4.04Å; F126-L130 HydrophobicContact CE2-CG 4.5Å; F126-L130 PolarHBondContact O-N 3.46Å; I127-L130 HydrophobicContact CB-CD1 4.43Å; I127-L130 HydrophobicContact CG1-CD1 4Å; I127-L130 WeakPolarHBondContact O-CB 3.34Å; I127-L130 PolarHBondContact O-N 3.13Å; I127-L130 VanDerWaalsContact O-N 3.17Å; L130-A134 HydrophobicContact CB-CB 3.97Å; L130-A134 HydrophobicContact CD2-CB 4.02Å; L130-A134 HydrophobicContact CG-CB 4.43Å; L130-V136 HydrophobicContact CD1-CG2 3.73Å; L130-V136 HydrophobicContact CD2-CG2 3.9Å; L130-R217 PolarHBondContact O-NH1 2.91Å; L130-I219 HydrophobicContact CB-CD1 3.7Å; L130-I219 HydrophobicContact CB-CG1 4.28Å; L130-I219 HydrophobicContact CD1-CD1 3.92Å; L130-I219 HydrophobicContact CD1-CG1 4.44Å; L130-I219 HydrophobicContact CD1-CG2 3.74Å; L130-I219 HydrophobicContact CG-CD1 4.47Å |
| 131 | A | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 169.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S83 I85 N86 N133 A134 | S83-A131 VanDerWaalsContact O-CA 3.24Å; S83-A131 WeakPolarHBondContact O-CA 3.27Å; S83-A131 WeakPolarHBondContact O-CB 3.5Å; I85-A131 WeakPolarHBondContact O-CB 3.36Å; I85-A131 PolarHBondContact O-N 2.88Å; N86-A131 WeakPolarHBondContact ND2-CB 3.49Å; A131-N133 PolarHBondContact O-N 3.19Å; A131-A134 WeakPolarHBondContact O-CB 3.2Å; A131-A134 PolarHBondContact O-N 2.65Å |
| 132 | E | 97.1 | Very high | 98.4 | Very high | 137 Ų | 137 | 26.9 Ų | 26.9 | 64% | 0.64 | 14% | 0.142 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 137.4 | 164.2 | -154.4 | -166.5 | 147.5 | 0 | 0 | 110.8 | A134 | E132-A134 PolarHBondContact O-N 3.19Å |
| 133 | N | 96.9 | Very high | 98.2 | Very high | 49 Ų | 49 | 29.1 Ų | 29.1 | 26% | 0.262 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.3 | 26.5 | -177.8 | -60.3 | -75.2 | 0 | 0 | 0 | 114.6 | A131 R135 R217 L257 | A131-N133 PolarHBondContact O-N 3.19Å; N133-R135 PolarHBondContact O-NH1 3.15Å; N133-R217 WeakPolarHBondContact CA-O 3.06Å; N133-R217 PolarHBondContact N-O 3.28Å; N133-L257 HydrophobicContact CB-CD2 3.43Å; N133-L257 VanDerWaalsContact CB-CD2 3.43Å |
| 134 | A | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 151 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I85 N86 L130 A131 E132 I219 V220 | I85-A134 WeakPolarHBondContact O-CB 3.45Å; N86-A134 CarbonylContact O-C 3.21Å; N86-A134 VanDerWaalsContact O-CA 3.25Å; N86-A134 WeakPolarHBondContact O-CA 3.48Å; L130-A134 HydrophobicContact CB-CB 3.97Å; L130-A134 HydrophobicContact CD2-CB 4.02Å; L130-A134 HydrophobicContact CG-CB 4.43Å; A131-A134 WeakPolarHBondContact O-CB 3.2Å; A131-A134 PolarHBondContact O-N 2.65Å; E132-A134 PolarHBondContact O-N 3.19Å; A134-I219 HydrophobicContact CB-CG1 4.27Å; A134-V220 PolarHBondContact O-N 2.91Å |
| 135 | R | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.7 | 174.2 | -59.9 | -61.7 | 176 | -110.1 | 5.1 | 110 | N86 I87 A88 N133 G218 V220 P256 | N86-R135 PolarHBondContact O-N 3.21Å; I87-R135 WeakPolarHBondContact CA-O 3.35Å; A88-R135 PolarHBondContact N-O 2.98Å; N133-R135 PolarHBondContact O-NH1 3.15Å; R135-G218 PolarHBondContact NH1-O 3.45Å; R135-V220 WeakPolarHBondContact CA-O 3.22Å; R135-P256 PolarHBondContact NH2-O 3.49Å |
| 136 | V | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | A88 F126 L130 V220 I221 N222 | A88-V136 HydrophobicContact CB-CG1 4.37Å; A88-V136 HydrophobicContact CB-CG2 4.32Å; A88-V136 CarbonylContact O-C 3.59Å; A88-V136 WeakPolarHBondContact O-CA 3.3Å; F126-V136 HydrophobicContact CE2-CG1 4.06Å; F126-V136 HydrophobicContact CE2-CG2 4.08Å; F126-V136 HydrophobicContact CZ-CG1 3.9Å; L130-V136 HydrophobicContact CD1-CG2 3.73Å; L130-V136 HydrophobicContact CD2-CG2 3.9Å; V136-V220 PolarHBondContact N-O 2.84Å; V136-I221 HydrophobicContact CB-CB 3.98Å; V136-I221 HydrophobicContact CB-CD1 3.94Å; V136-I221 HydrophobicContact CB-CG1 3.76Å; V136-I221 HydrophobicContact CG1-CD1 3.59Å; V136-I221 HydrophobicContact CG1-CG1 3.83Å; V136-I221 WeakPolarHBondContact O-CA 3.19Å; V136-N222 PolarHBondContact O-N 3.46Å |
| 137 | V | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 116.2 | -179.1 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | A88 V89 N90 M139 N222 P249 L252 A253 | A88-V137 PolarHBondContact O-N 3.17Å; V89-V137 WeakPolarHBondContact CA-O 3.39Å; V89-V137 HydrophobicContact CG1-CB 4.25Å; V89-V137 HydrophobicContact CG2-CB 4.26Å; V89-V137 HydrophobicContact CG2-CG2 4.47Å; N90-V137 PolarHBondContact N-O 2.93Å; V137-M139 HydrophobicContact CG1-SD 4.5Å; V137-N222 WeakPolarHBondContact CA-O 3.19Å; V137-P249 HydrophobicContact CG1-CB 3.96Å; V137-L252 HydrophobicContact CG1-CB 4.3Å; V137-L252 HydrophobicContact CG1-CD1 4.13Å; V137-L252 HydrophobicContact CG2-CB 3.63Å; V137-A253 HydrophobicContact CG2-CB 4.09Å |
| 138 | N | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 117.7 | 174.9 | -73.2 | -20.2 | 0 | 0 | 0 | 110.8 | N90 S140 L201 S205 N222 S223 C224 | N90-N138 WeakPolarHBondContact CB-OD1 3.31Å; N90-N138 PolarHBondContact ND2-OD1 3.47Å; N138-S140 PolarHBondContact O-N 3.45Å; N138-L201 HydrophobicContact CB-CD1 4.2Å; N138-L201 HydrophobicContact CB-CD2 4.37Å; N138-L201 HydrophobicContact CB-CG 4.22Å; N138-S205 WeakPolarHBondContact CB-OG 3.36Å; N138-S205 PolarHBondContact ND2-OG 3.38Å; N138-N222 PolarHBondContact N-O 3.43Å; N138-S223 CarbonylContact O-C 3.53Å; N138-S223 VanDerWaalsContact O-CA 3.23Å; N138-S223 WeakPolarHBondContact O-CA 3.4Å; N138-C224 PolarHBondContact O-N 3Å |
| 139 | M | 98.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.039 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 96.8 | 179.2 | -65.5 | -61.4 | -75 | 0 | 0 | 111.1 | I13 V89 N90 N91 V137 K198 L201 P226 P249 | I13-M139 HydrophobicContact CG2-CE 3.95Å; V89-M139 HydrophobicContact CG1-CG 4.41Å; N90-M139 VanDerWaalsContact O-CB 3.27Å; N90-M139 WeakPolarHBondContact O-CB 3.39Å; N90-M139 WeakPolarHBondContact O-CG 3.32Å; N90-M139 PolarHBondContact O-N 2.92Å; N91-M139 VanDerWaalsContact CA-CG 3.45Å; N91-M139 HydrophobicContact CB-CG 3.73Å; V137-M139 HydrophobicContact CG1-SD 4.5Å; M139-K198 PolarHBondContact O-NZ 2.77Å; M139-L201 WeakPolarHBondContact O-CD2 3.42Å; M139-P226 HydrophobicContact CE-CB 3.81Å; M139-P226 HydrophobicContact CE-CG 3.78Å; M139-P249 HydrophobicContact CE-CB 4.31Å; M139-P249 HydrophobicContact CE-CG 3.95Å; M139-P249 HydrophobicContact SD-CB 3.54Å; M139-P249 VanDerWaalsContact SD-CB 3.54Å; M139-P249 HydrophobicContact SD-CG 3.85Å |
| 140 | S | 98.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | trans | -99 | -160 | 172.4 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | N138 K198 T202 C224 | N138-S140 PolarHBondContact O-N 3.45Å; S140-K198 PolarHBondContact OG-O 3.35Å; S140-K198 VanDerWaalsContact OG-O 3.04Å; S140-T202 VanDerWaalsContact CB-OG1 3.28Å; S140-T202 WeakPolarHBondContact CB-OG1 3.48Å; S140-T202 PolarHBondContact OG-OG1 2.83Å; S140-C224 CarbonylContact C-O 3.59Å; S140-C224 VanDerWaalsContact CA-O 3.32Å; S140-C224 WeakPolarHBondContact CA-O 3.35Å; S140-C224 PolarHBondContact N-O 2.67Å; S140-C224 VanDerWaalsContact O-O 3.13Å | ||
| 141 | A | 97.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | trans | -147.6 | 150 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110 | L143 S144 Y194 K198 | A141-L143 HydrophobicContact CB-CB 4.23Å; A141-L143 PolarHBondContact O-N 3.34Å; A141-L143 VanDerWaalsContact O-N 3.1Å; A141-S144 VanDerWaalsContact O-CB 3.24Å; A141-S144 WeakPolarHBondContact O-CB 3.48Å; A141-S144 PolarHBondContact O-N 3.18Å; A141-S144 PolarHBondContact O-OG 3.23Å; A141-Y194 HydrophobicContact CB-CE1 4.23Å; A141-K198 HydrophobicContact CB-CB 4.25Å; A141-K198 HydrophobicContact CB-CG 4.04Å | ||
| 142 | T | 97 | Very high | 97.6 | Very high | 44 Ų | 44 | 36.1 Ų | 36.1 | 27% | 0.27 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.7 | 170.5 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | S144 L145 F146 C225 F266 Y268 | T142-S144 PolarHBondContact O-N 3.15Å; T142-L145 WeakPolarHBondContact O-CB 3.44Å; T142-L145 PolarHBondContact O-N 3Å; T142-L145 VanDerWaalsContact O-N 3.08Å; T142-F146 VanDerWaalsContact O-CD2 3.27Å; T142-F146 WeakPolarHBondContact O-CD2 3.37Å; T142-F146 PolarHBondContact O-N 3.18Å; T142-C225 HydrophobicContact CG2-CB 3.85Å; T142-C225 PolarHBondContact N-SG 3.29Å; T142-F266 HydrophobicContact CG2-CE1 4.45Å; T142-F266 HydrophobicContact CG2-CZ 4.34Å; T142-Y268 HydrophobicContact CG2-CD1 3.9Å; T142-Y268 HydrophobicContact CG2-CD2 4.28Å; T142-Y268 HydrophobicContact CG2-CE1 4.3Å; T142-Y268 HydrophobicContact CG2-CG 3.9Å |
| 143 | L | 96.3 | Very high | 97.7 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.4 | -24.9 | 170.8 | -159.5 | 68.6 | 0 | 0 | 0 | 113.4 | A141 L145 F146 M147 Y194 | A141-L143 HydrophobicContact CB-CB 4.23Å; A141-L143 PolarHBondContact O-N 3.34Å; A141-L143 VanDerWaalsContact O-N 3.1Å; L143-L145 VanDerWaalsContact C-N 3.33Å; L143-L145 PolarHBondContact O-N 3.42Å; L143-F146 HydrophobicContact CD1-CB 4.22Å; L143-F146 HydrophobicContact CD1-CD2 4.45Å; L143-F146 PolarHBondContact O-N 3.3Å; L143-M147 HydrophobicContact CD1-CE 4Å; L143-M147 HydrophobicContact CG-CE 4.28Å; L143-M147 WeakPolarHBondContact O-CG 2.96Å; L143-M147 PolarHBondContact O-N 3.34Å; L143-Y194 HydrophobicContact CD2-CD1 3.72Å; L143-Y194 HydrophobicContact CD2-CE1 4.26Å |
| 144 | S | 97.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 173.1 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | A141 T142 M147 L148 W275 | A141-S144 VanDerWaalsContact O-CB 3.24Å; A141-S144 WeakPolarHBondContact O-CB 3.48Å; A141-S144 PolarHBondContact O-N 3.18Å; A141-S144 PolarHBondContact O-OG 3.23Å; T142-S144 PolarHBondContact O-N 3.15Å; S144-M147 PolarHBondContact O-N 3.11Å; S144-L148 WeakPolarHBondContact O-CB 3.49Å; S144-L148 PolarHBondContact O-N 3.31Å; S144-W275 WeakPolarHBondContact OG-CZ3 3.47Å |
| 145 | L | 96.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 176.5 | -70.2 | 166.2 | 0 | 0 | 0 | 111.3 | T142 L143 M147 L148 K149 F266 V273 K274 W275 | T142-L145 WeakPolarHBondContact O-CB 3.44Å; T142-L145 PolarHBondContact O-N 3Å; T142-L145 VanDerWaalsContact O-N 3.08Å; L143-L145 VanDerWaalsContact C-N 3.33Å; L143-L145 PolarHBondContact O-N 3.42Å; L145-M147 VanDerWaalsContact C-N 3.28Å; L145-M147 PolarHBondContact O-N 3.15Å; L145-L148 WeakPolarHBondContact O-CB 3.29Å; L145-L148 PolarHBondContact O-N 3.42Å; L145-K149 WeakPolarHBondContact O-CG 3.48Å; L145-K149 PolarHBondContact O-N 3.08Å; L145-K149 VanDerWaalsContact O-N 3.11Å; L145-F266 HydrophobicContact CD1-CD1 3.77Å; L145-F266 HydrophobicContact CD1-CE1 3.45Å; L145-F266 VanDerWaalsContact CD1-CE1 3.45Å; L145-F266 HydrophobicContact CD1-CZ 4.45Å; L145-F266 HydrophobicContact CG-CD1 4.25Å; L145-F266 HydrophobicContact CG-CE1 4.07Å; L145-V273 HydrophobicContact CD1-CB 4.32Å; L145-V273 HydrophobicContact CD1-CG1 3.39Å; L145-K274 WeakPolarHBondContact CD2-O 3.46Å; L145-W275 HydrophobicContact CD2-CD2 4.28Å; L145-W275 HydrophobicContact CD2-CE3 3.3Å; L145-W275 HydrophobicContact CD2-CZ3 3.59Å; L145-W275 HydrophobicContact CG-CE3 4.05Å; L145-W275 HydrophobicContact CG-CZ3 3.91Å |
| 146 | F | 96.4 | Very high | 97.7 | Very high | 128 Ų | 128 | 38 Ų | 38 | 56% | 0.561 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -61.5 | -38.6 | 175.8 | -72.5 | -72.2 | 0 | 0 | 0 | 111.7 | T142 L143 K150 | T142-F146 VanDerWaalsContact O-CD2 3.27Å; T142-F146 WeakPolarHBondContact O-CD2 3.37Å; T142-F146 PolarHBondContact O-N 3.18Å; L143-F146 HydrophobicContact CD1-CB 4.22Å; L143-F146 HydrophobicContact CD1-CD2 4.45Å; L143-F146 PolarHBondContact O-N 3.3Å; F146-K150 WeakPolarHBondContact O-CG 3.23Å; F146-K150 PolarHBondContact O-N 3.17Å |
| 147 | M | 97.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.4 | -39.2 | 176.4 | -69.4 | -45.7 | 98 | 0 | 0 | 112.4 | L143 S144 L145 K149 K150 L151 P190 N192 M199 | L143-M147 HydrophobicContact CD1-CE 4Å; L143-M147 HydrophobicContact CG-CE 4.28Å; L143-M147 WeakPolarHBondContact O-CG 2.96Å; L143-M147 PolarHBondContact O-N 3.34Å; S144-M147 PolarHBondContact O-N 3.11Å; L145-M147 VanDerWaalsContact C-N 3.28Å; L145-M147 PolarHBondContact O-N 3.15Å; M147-K149 PolarHBondContact O-N 3.48Å; M147-K150 HydrophobicContact CE-CD 4.05Å; M147-K150 PolarHBondContact O-N 3.12Å; M147-K150 HydrophobicContact SD-CD 4.48Å; M147-L151 PolarHBondContact O-N 3.4Å; M147-P190 HydrophobicContact CB-CG 4.06Å; M147-P190 HydrophobicContact CG-CG 4.15Å; M147-P190 HydrophobicContact SD-CB 3.62Å; M147-P190 HydrophobicContact SD-CG 3.58Å; M147-P190 VanDerWaalsContact SD-CG 3.58Å; M147-N192 HydrophobicContact CE-CB 4.36Å; M147-N192 HydrophobicContact SD-CB 3.6Å; M147-N192 VanDerWaalsContact SD-CB 3.6Å; M147-M199 HydrophobicContact CB-SD 4.02Å |
| 148 | L | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.5 | -43.7 | 173.9 | -177.6 | 72 | 0 | 0 | 0 | 111 | S144 L145 K150 L151 Y156 F159 V160 M199 W275 | S144-L148 WeakPolarHBondContact O-CB 3.49Å; S144-L148 PolarHBondContact O-N 3.31Å; L145-L148 WeakPolarHBondContact O-CB 3.29Å; L145-L148 PolarHBondContact O-N 3.42Å; L148-K150 PolarHBondContact O-N 3.07Å; L148-L151 HydrophobicContact CD1-CD1 4.07Å; L148-L151 PolarHBondContact O-N 3.08Å; L148-Y156 HydrophobicContact CD1-CD2 4.07Å; L148-Y156 HydrophobicContact CD1-CE2 4.32Å; L148-Y156 HydrophobicContact CD2-CE2 4.18Å; L148-Y156 HydrophobicContact CG-CD2 3.95Å; L148-Y156 HydrophobicContact CG-CE2 3.89Å; L148-Y156 WeakPolarHBondContact O-CD2 3.25Å; L148-F159 HydrophobicContact CD1-CB 3.51Å; L148-F159 HydrophobicContact CD1-CG 4.23Å; L148-V160 HydrophobicContact CD1-CG1 4.26Å; L148-V160 HydrophobicContact CD2-CG1 4.23Å; L148-M199 HydrophobicContact CB-SD 4.15Å; L148-M199 HydrophobicContact CD1-SD 4.43Å; L148-M199 PolarHBondContact N-SD 3.43Å; L148-W275 HydrophobicContact CB-CH2 4.05Å; L148-W275 HydrophobicContact CB-CZ2 4.22Å; L148-W275 HydrophobicContact CD1-CH2 4.42Å; L148-W275 HydrophobicContact CD1-CZ2 3.74Å; L148-W275 HydrophobicContact CD2-CD2 3.8Å; L148-W275 HydrophobicContact CD2-CE3 4.14Å; L148-W275 HydrophobicContact CD2-CG 4.29Å; L148-W275 HydrophobicContact CD2-CH2 4.1Å; L148-W275 HydrophobicContact CD2-CZ2 3.81Å; L148-W275 HydrophobicContact CD2-CZ3 4.25Å; L148-W275 HydrophobicContact CG-CH2 4.42Å; L148-W275 HydrophobicContact CG-CZ2 4.13Å |
| 149 | K | 96.6 | Very high | 97.5 | Very high | 101 Ų | 101 | 48.4 Ų | 48.4 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.5 | -22.6 | 178.9 | -64.3 | -172.5 | -174.2 | -143.4 | 0 | 113.9 | L145 M147 K277 | L145-K149 WeakPolarHBondContact O-CG 3.48Å; L145-K149 PolarHBondContact O-N 3.08Å; L145-K149 VanDerWaalsContact O-N 3.11Å; M147-K149 PolarHBondContact O-N 3.48Å; K149-K277 HydrophobicContact CB-CG 4.28Å; K149-K277 HydrophobicContact CG-CG 3.84Å; K149-K277 PolarHBondContact NZ-OXT 3.08Å; K149-K277 VanDerWaalsContact O-CE 3.24Å; K149-K277 WeakPolarHBondContact O-CE 3.49Å |
| 150 | K | 97.3 | Very high | 97.4 | Very high | 140 Ų | 140 | 50.3 Ų | 50.3 | 61% | 0.609 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -91.8 | -4.5 | -179.8 | -70.2 | -170.6 | 177.1 | -166.1 | 0 | 114.3 | F146 M147 L148 P190 | F146-K150 WeakPolarHBondContact O-CG 3.23Å; F146-K150 PolarHBondContact O-N 3.17Å; M147-K150 HydrophobicContact CE-CD 4.05Å; M147-K150 PolarHBondContact O-N 3.12Å; M147-K150 HydrophobicContact SD-CD 4.48Å; L148-K150 PolarHBondContact O-N 3.07Å; K150-P190 HydrophobicContact CB-CB 3.92Å; K150-P190 HydrophobicContact CD-CB 4.32Å |
| 151 | L | 98.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -65.9 | 151.7 | 174 | -66.8 | 175.6 | 0 | 0 | 0 | 111.4 | M147 L148 L155 F159 G188 W189 M199 | M147-L151 PolarHBondContact O-N 3.4Å; L148-L151 HydrophobicContact CD1-CD1 4.07Å; L148-L151 PolarHBondContact O-N 3.08Å; L151-L155 HydrophobicContact CB-CB 3.99Å; L151-L155 HydrophobicContact CD1-CB 4.15Å; L151-L155 HydrophobicContact CD2-CB 4.06Å; L151-L155 HydrophobicContact CD2-CD1 4.05Å; L151-L155 HydrophobicContact CG-CB 4.3Å; L151-F159 HydrophobicContact CD1-CB 4.25Å; L151-F159 HydrophobicContact CD1-CD2 3.53Å; L151-F159 HydrophobicContact CD1-CE2 4.01Å; L151-F159 HydrophobicContact CD1-CG 4.01Å; L151-G188 WeakPolarHBondContact CA-O 3.44Å; L151-W189 HydrophobicContact CD2-CD2 4.5Å; L151-W189 HydrophobicContact CD2-CE3 3.65Å; L151-W189 HydrophobicContact CD2-CZ3 3.92Å; L151-M199 HydrophobicContact CD1-CE 3.96Å; L151-M199 HydrophobicContact CD1-SD 3.81Å; L151-M199 HydrophobicContact CD2-CE 3.86Å; L151-M199 HydrophobicContact CD2-SD 4.45Å; L151-M199 HydrophobicContact CG-CE 4.25Å; L151-M199 HydrophobicContact CG-SD 4.21Å |
| 152 | S | 97.9 | Very high | 97.2 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | trans | -55 | 158.1 | 160.6 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | D154 L155 Y156 G188 | S152-D154 VanDerWaalsContact C-N 3.32Å; S152-D154 PolarHBondContact O-N 3.32Å; S152-L155 PolarHBondContact O-N 3.41Å; S152-Y156 VanDerWaalsContact O-CB 3.28Å; S152-Y156 WeakPolarHBondContact O-CB 3.17Å; S152-Y156 PolarHBondContact O-N 2.95Å; S152-G188 PolarHBondContact N-O 3.04Å; S152-G188 VanDerWaalsContact N-O 3.07Å | ||
| 153 | S | 97.3 | Very high | 97.2 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 58% | 0.58 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -54.9 | -47.1 | -179.8 | -57 | 0 | 0 | 0 | 0 | 112 | L155 Y156 E157 | S153-L155 PolarHBondContact O-N 3.22Å; S153-Y156 WeakPolarHBondContact O-CB 3.43Å; S153-Y156 PolarHBondContact O-N 3.43Å; S153-E157 WeakPolarHBondContact O-CG 3.27Å; S153-E157 PolarHBondContact O-N 3.32Å |
| 154 | D | 97.1 | Very high | 97.3 | Very high | 124 Ų | 124 | 57.8 Ų | 57.8 | 66% | 0.663 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | -179 | -63.6 | -6.5 | 0 | 0 | 0 | 113 | S152 K158 | S152-D154 VanDerWaalsContact C-N 3.32Å; S152-D154 PolarHBondContact O-N 3.32Å; D154-K158 WeakPolarHBondContact O-CG 3.42Å; D154-K158 PolarHBondContact O-N 3.37Å |
| 155 | L | 98 | Very high | 97.3 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 176.2 | -75.9 | 177.6 | 0 | 0 | 0 | 110.9 | L151 S152 S153 E157 K158 F159 L171 K187 W189 | L151-L155 HydrophobicContact CB-CB 3.99Å; L151-L155 HydrophobicContact CD1-CB 4.15Å; L151-L155 HydrophobicContact CD2-CB 4.06Å; L151-L155 HydrophobicContact CD2-CD1 4.05Å; L151-L155 HydrophobicContact CG-CB 4.3Å; S152-L155 PolarHBondContact O-N 3.41Å; S153-L155 PolarHBondContact O-N 3.22Å; L155-E157 VanDerWaalsContact C-N 3.35Å; L155-E157 PolarHBondContact O-N 2.94Å; L155-K158 HydrophobicContact CD2-CD 4.48Å; L155-K158 WeakPolarHBondContact O-CB 3.33Å; L155-K158 PolarHBondContact O-N 2.75Å; L155-F159 WeakPolarHBondContact O-CD2 3.13Å; L155-F159 PolarHBondContact O-N 2.91Å; L155-L171 HydrophobicContact CD2-CD2 4.03Å; L155-K187 VanDerWaalsContact CD1-O 3.29Å; L155-K187 WeakPolarHBondContact CD1-O 3.42Å; L155-W189 HydrophobicContact CD1-CD2 3.7Å; L155-W189 HydrophobicContact CD1-CE3 4.1Å; L155-W189 HydrophobicContact CD1-CG 4.1Å; L155-W189 HydrophobicContact CD1-CH2 4.36Å; L155-W189 HydrophobicContact CD1-CZ2 3.99Å; L155-W189 HydrophobicContact CD1-CZ3 4.41Å; L155-W189 HydrophobicContact CD2-CH2 4.09Å; L155-W189 HydrophobicContact CD2-CZ2 3.78Å |
| 156 | Y | 98.3 | Very high | 97.4 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.2 | -49.8 | 176.8 | 174.3 | -94.7 | 0 | 0 | 0 | 111.1 | L148 S152 S153 K158 F159 V160 K277 | L148-Y156 HydrophobicContact CD1-CD2 4.07Å; L148-Y156 HydrophobicContact CD1-CE2 4.32Å; L148-Y156 HydrophobicContact CD2-CE2 4.18Å; L148-Y156 HydrophobicContact CG-CD2 3.95Å; L148-Y156 HydrophobicContact CG-CE2 3.89Å; L148-Y156 WeakPolarHBondContact O-CD2 3.25Å; S152-Y156 VanDerWaalsContact O-CB 3.28Å; S152-Y156 WeakPolarHBondContact O-CB 3.17Å; S152-Y156 PolarHBondContact O-N 2.95Å; S153-Y156 WeakPolarHBondContact O-CB 3.43Å; S153-Y156 PolarHBondContact O-N 3.43Å; Y156-K158 VanDerWaalsContact C-N 3.33Å; Y156-K158 PolarHBondContact O-N 3.41Å; Y156-F159 PolarHBondContact O-N 2.93Å; Y156-V160 HydrophobicContact CD1-CG2 4.38Å; Y156-V160 HydrophobicContact CD2-CG1 4.28Å; Y156-V160 HydrophobicContact CE1-CG1 4.11Å; Y156-V160 HydrophobicContact CE1-CG2 3.99Å; Y156-V160 HydrophobicContact CE2-CG1 3.71Å; Y156-V160 WeakPolarHBondContact O-CG2 3.5Å; Y156-V160 PolarHBondContact O-N 3.22Å; Y156-K277 HydrophobicContact CD1-CD 4.41Å; Y156-K277 HydrophobicContact CD2-CD 3.88Å; Y156-K277 HydrophobicContact CD2-CG 4.13Å; Y156-K277 HydrophobicContact CE1-CD 4.2Å; Y156-K277 HydrophobicContact CE2-CB 4.04Å; Y156-K277 HydrophobicContact CE2-CD 3.63Å; Y156-K277 HydrophobicContact CE2-CG 3.48Å; Y156-K277 VanDerWaalsContact CE2-CG 3.48Å; Y156-K277 HydrophobicContact CG-CD 4.26Å; Y156-K277 PolarHBondContact OH-N 2.7Å |
| 157 | E | 97.7 | Very high | 97.5 | Very high | 116 Ų | 116 | 58.8 Ų | 58.8 | 54% | 0.542 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.9 | -42 | 178.4 | -69.8 | -50.7 | 133.9 | 0 | 0 | 112.1 | S153 L155 F159 V160 G161 | S153-E157 WeakPolarHBondContact O-CG 3.27Å; S153-E157 PolarHBondContact O-N 3.32Å; L155-E157 VanDerWaalsContact C-N 3.35Å; L155-E157 PolarHBondContact O-N 2.94Å; E157-F159 PolarHBondContact O-N 3.1Å; E157-V160 PolarHBondContact O-N 2.88Å; E157-G161 WeakPolarHBondContact O-CA 3.35Å; E157-G161 PolarHBondContact O-N 3.42Å |
| 158 | K | 97.1 | Very high | 97.5 | Very high | 104 Ų | 104 | 58.6 Ų | 58.6 | 45% | 0.452 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 173.4 | -71.8 | 172.7 | -176.4 | 176.1 | 0 | 112 | D154 L155 Y156 M163 L171 | D154-K158 WeakPolarHBondContact O-CG 3.42Å; D154-K158 PolarHBondContact O-N 3.37Å; L155-K158 HydrophobicContact CD2-CD 4.48Å; L155-K158 WeakPolarHBondContact O-CB 3.33Å; L155-K158 PolarHBondContact O-N 2.75Å; Y156-K158 VanDerWaalsContact C-N 3.33Å; Y156-K158 PolarHBondContact O-N 3.41Å; K158-M163 HydrophobicContact CB-CE 3.72Å; K158-M163 WeakPolarHBondContact O-CE 3.44Å; K158-L171 HydrophobicContact CB-CD1 4.4Å; K158-L171 HydrophobicContact CD-CD1 4.33Å; K158-L171 HydrophobicContact CD-CD2 4.34Å |
| 159 | F | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.9 | -30.6 | -177 | -92.2 | -89 | 0 | 0 | 0 | 114.3 | L148 L151 L155 Y156 E157 L168 L171 M172 W189 M199 K203 W275 | L148-F159 HydrophobicContact CD1-CB 3.51Å; L148-F159 HydrophobicContact CD1-CG 4.23Å; L151-F159 HydrophobicContact CD1-CB 4.25Å; L151-F159 HydrophobicContact CD1-CD2 3.53Å; L151-F159 HydrophobicContact CD1-CE2 4.01Å; L151-F159 HydrophobicContact CD1-CG 4.01Å; L155-F159 WeakPolarHBondContact O-CD2 3.13Å; L155-F159 PolarHBondContact O-N 2.91Å; Y156-F159 PolarHBondContact O-N 2.93Å; E157-F159 PolarHBondContact O-N 3.1Å; F159-L168 HydrophobicContact CE1-CD1 4Å; F159-L168 HydrophobicContact CZ-CD1 4.33Å; F159-L171 HydrophobicContact CE2-CD1 4.49Å; F159-M172 HydrophobicContact CE1-CE 4.27Å; F159-M172 HydrophobicContact CE2-CE 4.18Å; F159-M172 HydrophobicContact CZ-CE 3.39Å; F159-W189 AromaticContact CE2-CH2 3.65Å; F159-W189 HydrophobicContact CE2-CH2 3.65Å; F159-W189 AromaticContact CE2-CZ3 3.66Å; F159-W189 HydrophobicContact CE2-CZ3 3.66Å; F159-W189 HydrophobicContact CZ-CH2 4.06Å; F159-W189 AromaticContact CZ-CZ3 3.95Å; F159-W189 HydrophobicContact CZ-CZ3 3.95Å; F159-M199 HydrophobicContact CD1-CE 4.47Å; F159-M199 HydrophobicContact CD1-CG 3.91Å; F159-M199 HydrophobicContact CD1-SD 4.41Å; F159-M199 HydrophobicContact CD2-CE 4.43Å; F159-M199 HydrophobicContact CE1-CE 3.84Å; F159-M199 HydrophobicContact CE1-CG 3.65Å; F159-M199 HydrophobicContact CE1-SD 4.24Å; F159-M199 HydrophobicContact CE2-CE 3.77Å; F159-M199 HydrophobicContact CZ-CE 3.4Å; F159-M199 HydrophobicContact CZ-CG 4.22Å; F159-M199 HydrophobicContact CZ-SD 4.33Å; F159-K203 HydrophobicContact CD1-CB 3.94Å; F159-K203 HydrophobicContact CD1-CG 4.09Å; F159-K203 HydrophobicContact CE1-CB 4.11Å; F159-K203 HydrophobicContact CE1-CG 4.46Å; F159-K203 VanDerWaalsContact O-CD 3.32Å; F159-K203 WeakPolarHBondContact O-CD 3.44Å; F159-K203 VanDerWaalsContact O-CE 3.3Å; F159-K203 WeakPolarHBondContact O-CE 3.46Å; F159-K203 PolarHBondContact O-NZ 3.27Å; F159-W275 PolarHBondContact O-NE1 2.66Å |
| 160 | V | 97.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 30% | 0.297 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -88.5 | -27.2 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | L148 Y156 E157 | L148-V160 HydrophobicContact CD1-CG1 4.26Å; L148-V160 HydrophobicContact CD2-CG1 4.23Å; Y156-V160 HydrophobicContact CD1-CG2 4.38Å; Y156-V160 HydrophobicContact CD2-CG1 4.28Å; Y156-V160 HydrophobicContact CE1-CG1 4.11Å; Y156-V160 HydrophobicContact CE1-CG2 3.99Å; Y156-V160 HydrophobicContact CE2-CG1 3.71Å; Y156-V160 WeakPolarHBondContact O-CG2 3.5Å; Y156-V160 PolarHBondContact O-N 3.22Å; E157-V160 PolarHBondContact O-N 2.88Å |
| 161 | G | 96.4 | Very high | 97.8 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -79.5 | -179.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | E157 K203 | E157-G161 WeakPolarHBondContact O-CA 3.35Å; E157-G161 PolarHBondContact O-N 3.42Å; G161-K203 PolarHBondContact O-NZ 2.89Å |
| 162 | P | 96.4 | Very high | 97.8 | Very high | 136 Ų | 136 | 56.6 Ų | 56.6 | 88% | 0.883 | 31% | 0.309 | S | S | * | . | trans | -64.3 | 138.3 | 175.5 | 27.8 | -33.9 | 0 | 0 | 0 | 111.2 | ||||
| 163 | M | 96.5 | Very high | 97.8 | Very high | 27 Ų | 27 | 57.7 Ų | 57.7 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | trans | -159.2 | 142.4 | -178.4 | -176.2 | -177.6 | -73.7 | 0 | 0 | 109.6 | K158 E167 L168 L171 K203 I207 | K158-M163 HydrophobicContact CB-CE 3.72Å; K158-M163 WeakPolarHBondContact O-CE 3.44Å; M163-E167 WeakPolarHBondContact CA-OE2 3.29Å; M163-E167 HydrophobicContact CG-CB 3.66Å; M163-E167 HydrophobicContact SD-CB 4.49Å; M163-L168 HydrophobicContact CG-CB 4.34Å; M163-L168 VanDerWaalsContact SD-CA 3.58Å; M163-L168 HydrophobicContact SD-CB 3.61Å; M163-L168 HydrophobicContact SD-CD1 3.84Å; M163-L168 HydrophobicContact SD-CG 4.29Å; M163-L171 HydrophobicContact CE-CD1 3.31Å; M163-L171 HydrophobicContact SD-CD1 4.04Å; M163-K203 HydrophobicContact SD-CG 4.42Å; M163-I207 HydrophobicContact CB-CD1 4.36Å; M163-I207 HydrophobicContact CG-CD1 4.35Å; M163-I207 WeakPolarHBondContact O-CD1 3.08Å; M163-I207 VanDerWaalsContact O-CG1 3.3Å; M163-I207 WeakPolarHBondContact O-CG1 3.48Å | ||
| 164 | N | 97.8 | Very high | 97.9 | Very high | 75 Ų | 75 | 57.2 Ų | 57.2 | 40% | 0.401 | 30% | 0.302 | S | S | . | . | trans | -95.4 | 167.4 | 171.2 | 67.3 | 58.3 | 0 | 0 | 0 | 112.4 | S166 E167 L168 | N164-S166 VanDerWaalsContact C-N 3.27Å; N164-S166 PolarHBondContact O-N 3.04Å; N164-S166 WeakPolarHBondContact OD1-CA 3.21Å; N164-S166 VanDerWaalsContact OD1-CB 3.28Å; N164-S166 WeakPolarHBondContact OD1-CB 3.38Å; N164-S166 PolarHBondContact OD1-N 2.87Å; N164-E167 PolarHBondContact N-OE2 3.47Å; N164-E167 PolarHBondContact ND2-OE1 3.06Å; N164-E167 PolarHBondContact ND2-OE2 3.47Å; N164-E167 PolarHBondContact O-N 3.35Å; N164-E167 WeakPolarHBondContact OD1-CG 3.24Å; N164-E167 PolarHBondContact OD1-N 2.95Å; N164-L168 PolarHBondContact O-N 2.74Å | ||
| 165 | L | 98 | Very high | 97.9 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -34.1 | -178.3 | -74.4 | 172.4 | 0 | 0 | 0 | 113.1 | V120 E124 L168 K169 A204 I207 F208 M211 | V120-L165 HydrophobicContact CG1-CD2 4.02Å; E124-L165 HydrophobicContact CG-CD1 3.93Å; L165-L168 PolarHBondContact O-N 3.41Å; L165-K169 WeakPolarHBondContact O-CB 3.49Å; L165-K169 VanDerWaalsContact O-CG 3.26Å; L165-K169 WeakPolarHBondContact O-CG 3.26Å; L165-K169 PolarHBondContact O-N 2.71Å; L165-A204 HydrophobicContact CD2-CB 4.12Å; L165-I207 HydrophobicContact CD2-CB 4.27Å; L165-I207 HydrophobicContact CD2-CD1 4.35Å; L165-I207 HydrophobicContact CD2-CG2 4.13Å; L165-I207 HydrophobicContact CG-CG2 3.82Å; L165-F208 HydrophobicContact CD1-CD1 4.06Å; L165-F208 HydrophobicContact CD1-CE1 3.42Å; L165-F208 VanDerWaalsContact CD1-CE1 3.42Å; L165-F208 HydrophobicContact CD1-CZ 3.81Å; L165-F208 HydrophobicContact CD2-CE1 4.43Å; L165-F208 HydrophobicContact CD2-CE2 4.38Å; L165-F208 HydrophobicContact CD2-CZ 4.16Å; L165-M211 HydrophobicContact CD1-SD 4.11Å |
| 166 | S | 98.3 | Very high | 98 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 46% | 0.462 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | N164 K169 K170 | N164-S166 VanDerWaalsContact C-N 3.27Å; N164-S166 PolarHBondContact O-N 3.04Å; N164-S166 WeakPolarHBondContact OD1-CA 3.21Å; N164-S166 VanDerWaalsContact OD1-CB 3.28Å; N164-S166 WeakPolarHBondContact OD1-CB 3.38Å; N164-S166 PolarHBondContact OD1-N 2.87Å; S166-K169 PolarHBondContact O-N 2.95Å; S166-K170 VanDerWaalsContact O-CG 3.28Å; S166-K170 WeakPolarHBondContact O-CG 3.36Å; S166-K170 PolarHBondContact O-N 3.33Å |
| 167 | E | 98.4 | Very high | 98 | Very high | 89 Ų | 89 | 58.3 Ų | 58.3 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 174.5 | -69.7 | 164.6 | 163.2 | 0 | 0 | 111.7 | M163 N164 K170 L171 | M163-E167 WeakPolarHBondContact CA-OE2 3.29Å; M163-E167 HydrophobicContact CG-CB 3.66Å; M163-E167 HydrophobicContact SD-CB 4.49Å; N164-E167 PolarHBondContact N-OE2 3.47Å; N164-E167 PolarHBondContact ND2-OE1 3.06Å; N164-E167 PolarHBondContact ND2-OE2 3.47Å; N164-E167 PolarHBondContact O-N 3.35Å; N164-E167 WeakPolarHBondContact OD1-CG 3.24Å; N164-E167 PolarHBondContact OD1-N 2.95Å; E167-K170 WeakPolarHBondContact O-CB 3.38Å; E167-K170 PolarHBondContact O-N 3.38Å; E167-L171 PolarHBondContact O-N 2.98Å |
| 168 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 177 | -178.7 | 60.3 | 0 | 0 | 0 | 111.6 | F116 F159 M163 N164 L165 K170 L171 M172 K203 A204 I207 | F116-L168 HydrophobicContact CE2-CD2 3.75Å; F116-L168 HydrophobicContact CE2-CG 3.98Å; F116-L168 HydrophobicContact CZ-CD2 4Å; F116-L168 HydrophobicContact CZ-CG 3.81Å; F159-L168 HydrophobicContact CE1-CD1 4Å; F159-L168 HydrophobicContact CZ-CD1 4.33Å; M163-L168 HydrophobicContact CG-CB 4.34Å; M163-L168 VanDerWaalsContact SD-CA 3.58Å; M163-L168 HydrophobicContact SD-CB 3.61Å; M163-L168 HydrophobicContact SD-CD1 3.84Å; M163-L168 HydrophobicContact SD-CG 4.29Å; N164-L168 PolarHBondContact O-N 2.74Å; L165-L168 PolarHBondContact O-N 3.41Å; L168-K170 VanDerWaalsContact C-N 3.29Å; L168-K170 PolarHBondContact O-N 3.22Å; L168-L171 PolarHBondContact O-N 3.17Å; L168-M172 HydrophobicContact CD1-CE 4.38Å; L168-M172 HydrophobicContact CD1-CG 4.41Å; L168-M172 WeakPolarHBondContact O-CG 3.37Å; L168-M172 PolarHBondContact O-N 2.83Å; L168-K203 HydrophobicContact CD1-CB 4.07Å; L168-K203 HydrophobicContact CD1-CG 3.84Å; L168-K203 HydrophobicContact CD2-CB 4.02Å; L168-K203 HydrophobicContact CD2-CG 3.93Å; L168-K203 HydrophobicContact CG-CG 4.46Å; L168-A204 HydrophobicContact CD2-CB 3.73Å; L168-I207 HydrophobicContact CB-CD1 4.07Å; L168-I207 HydrophobicContact CD2-CD1 3.82Å |
| 169 | K | 98.7 | Very high | 98.1 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 23% | 0.226 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 177.1 | -74.8 | -178.8 | -174.5 | -170.4 | 0 | 111.1 | F116 D121 E124 L165 S166 M172 V173 | F116-K169 HydrophobicContact CE1-CG 4.11Å; F116-K169 HydrophobicContact CZ-CG 4.16Å; D121-K169 IonicContact OD1-NZ 2.66Å; D121-K169 PolarHBondContact OD1-NZ 3.04Å; E124-K169 IonicContact OE1-NZ 2.89Å; E124-K169 VanDerWaalsContact OE2-CE 3.3Å; E124-K169 WeakPolarHBondContact OE2-CE 3.28Å; E124-K169 IonicContact OE2-NZ 3.33Å; E124-K169 PolarHBondContact OE2-NZ 3.09Å; L165-K169 WeakPolarHBondContact O-CB 3.49Å; L165-K169 VanDerWaalsContact O-CG 3.26Å; L165-K169 WeakPolarHBondContact O-CG 3.26Å; L165-K169 PolarHBondContact O-N 2.71Å; S166-K169 PolarHBondContact O-N 2.95Å; K169-M172 PolarHBondContact O-N 3.06Å; K169-V173 WeakPolarHBondContact O-CG2 2.95Å; K169-V173 PolarHBondContact O-N 2.91Å |
| 170 | K | 98.6 | Very high | 98.1 | Very high | 140 Ų | 140 | 51.8 Ų | 51.8 | 61% | 0.609 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 175 | -74 | 170.7 | -174.4 | 175.9 | 0 | 112.2 | S166 E167 L168 M172 V173 E174 | S166-K170 VanDerWaalsContact O-CG 3.28Å; S166-K170 WeakPolarHBondContact O-CG 3.36Å; S166-K170 PolarHBondContact O-N 3.33Å; E167-K170 WeakPolarHBondContact O-CB 3.38Å; E167-K170 PolarHBondContact O-N 3.38Å; L168-K170 VanDerWaalsContact C-N 3.29Å; L168-K170 PolarHBondContact O-N 3.22Å; K170-M172 VanDerWaalsContact C-N 3.31Å; K170-M172 PolarHBondContact O-N 3.3Å; K170-V173 PolarHBondContact O-N 3.41Å; K170-E174 PolarHBondContact O-N 2.82Å |
| 171 | L | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 175.9 | -73.3 | 174.2 | 0 | 0 | 0 | 112.1 | L155 K158 F159 M163 E167 L168 E174 F175 W189 | L155-L171 HydrophobicContact CD2-CD2 4.03Å; K158-L171 HydrophobicContact CB-CD1 4.4Å; K158-L171 HydrophobicContact CD-CD1 4.33Å; K158-L171 HydrophobicContact CD-CD2 4.34Å; F159-L171 HydrophobicContact CE2-CD1 4.49Å; M163-L171 HydrophobicContact CE-CD1 3.31Å; M163-L171 HydrophobicContact SD-CD1 4.04Å; E167-L171 PolarHBondContact O-N 2.98Å; L168-L171 PolarHBondContact O-N 3.17Å; L171-E174 WeakPolarHBondContact O-CB 3.21Å; L171-E174 PolarHBondContact O-N 3.49Å; L171-F175 PolarHBondContact O-N 3.43Å; L171-W189 HydrophobicContact CB-CH2 4.2Å; L171-W189 HydrophobicContact CB-CZ2 4.35Å; L171-W189 HydrophobicContact CD2-CZ2 4.45Å; L171-W189 WeakPolarHBondContact O-CZ2 3.41Å |
| 172 | M | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.5 | -36.8 | 179.3 | -68.5 | -53.5 | 90.1 | 0 | 0 | 111.9 | M112 F116 F159 L168 K169 K170 F175 V176 W189 V196 | M112-M172 HydrophobicContact CE-CB 4.1Å; M112-M172 HydrophobicContact CE-CG 4.23Å; M112-M172 HydrophobicContact CE-SD 3.51Å; M112-M172 VanDerWaalsContact CE-SD 3.51Å; M112-M172 HydrophobicContact CG-CB 4.16Å; M112-M172 HydrophobicContact SD-CB 3.71Å; M112-M172 HydrophobicContact SD-CG 3.86Å; M112-M172 HydrophobicContact SD-SD 3.8Å; F116-M172 HydrophobicContact CD1-CB 3.84Å; F116-M172 HydrophobicContact CD1-CG 3.7Å; F116-M172 HydrophobicContact CD2-CG 4.27Å; F116-M172 HydrophobicContact CE1-CB 3.59Å; F116-M172 HydrophobicContact CE1-CG 3.39Å; F116-M172 HydrophobicContact CE2-CG 3.98Å; F116-M172 HydrophobicContact CG-CG 4.14Å; F116-M172 HydrophobicContact CZ-CB 4.22Å; F116-M172 HydrophobicContact CZ-CG 3.54Å; F159-M172 HydrophobicContact CE1-CE 4.27Å; F159-M172 HydrophobicContact CE2-CE 4.18Å; F159-M172 HydrophobicContact CZ-CE 3.39Å; L168-M172 HydrophobicContact CD1-CE 4.38Å; L168-M172 HydrophobicContact CD1-CG 4.41Å; L168-M172 WeakPolarHBondContact O-CG 3.37Å; L168-M172 PolarHBondContact O-N 2.83Å; K169-M172 PolarHBondContact O-N 3.06Å; K170-M172 VanDerWaalsContact C-N 3.31Å; K170-M172 PolarHBondContact O-N 3.3Å; M172-F175 PolarHBondContact O-N 3.47Å; M172-V176 WeakPolarHBondContact O-CG2 3.43Å; M172-V176 PolarHBondContact O-N 3.08Å; M172-V176 VanDerWaalsContact O-N 3.17Å; M172-W189 HydrophobicContact CE-CH2 3.53Å; M172-W189 HydrophobicContact CE-CZ3 3.87Å; M172-V196 HydrophobicContact SD-CG1 4.34Å |
| 173 | V | 98.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 40% | 0.4 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 171 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | K169 K170 V176 R177 | K169-V173 WeakPolarHBondContact O-CG2 2.95Å; K169-V173 PolarHBondContact O-N 2.91Å; K170-V173 PolarHBondContact O-N 3.41Å; V173-V176 PolarHBondContact O-N 3.11Å; V173-R177 WeakPolarHBondContact O-CG 3.43Å; V173-R177 PolarHBondContact O-N 2.87Å |
| 174 | E | 98.4 | Very high | 98.4 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 34% | 0.341 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.2 | -172 | -171.4 | 153.8 | 0 | 0 | 111.6 | K170 L171 V176 R177 S178 | K170-E174 PolarHBondContact O-N 2.82Å; L171-E174 WeakPolarHBondContact O-CB 3.21Å; L171-E174 PolarHBondContact O-N 3.49Å; E174-V176 VanDerWaalsContact C-N 3.34Å; E174-V176 PolarHBondContact O-N 2.97Å; E174-R177 PolarHBondContact O-N 3.05Å; E174-S178 WeakPolarHBondContact O-CB 3.43Å; E174-S178 PolarHBondContact O-N 3.23Å; E174-S178 PolarHBondContact O-OG 3.5Å |
| 175 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54 | -51.2 | 174.3 | 167.5 | -108 | 0 | 0 | 0 | 111.2 | F104 A108 M112 L171 M172 R177 S178 A179 W189 A193 V196 | F104-F175 HydrophobicContact CE1-CZ 4.48Å; F104-F175 HydrophobicContact CZ-CE2 4.47Å; F104-F175 HydrophobicContact CZ-CZ 4.15Å; A108-F175 HydrophobicContact CB-CE1 3.75Å; A108-F175 HydrophobicContact CB-CZ 4.14Å; M112-F175 HydrophobicContact CE-CD1 3.49Å; M112-F175 VanDerWaalsContact CE-CD1 3.49Å; M112-F175 HydrophobicContact CE-CE1 4.03Å; M112-F175 HydrophobicContact CE-CG 4.47Å; L171-F175 PolarHBondContact O-N 3.43Å; M172-F175 PolarHBondContact O-N 3.47Å; F175-R177 PolarHBondContact O-N 3.14Å; F175-S178 PolarHBondContact O-N 2.99Å; F175-S178 PolarHBondContact O-OG 3.02Å; F175-A179 HydrophobicContact CZ-CB 4.5Å; F175-A179 WeakPolarHBondContact O-CB 3.49Å; F175-A179 PolarHBondContact O-N 3.07Å; F175-W189 HydrophobicContact CB-CD2 3.98Å; F175-W189 HydrophobicContact CB-CE3 4.27Å; F175-W189 HydrophobicContact CB-CG 4.46Å; F175-W189 HydrophobicContact CB-CH2 4.32Å; F175-W189 HydrophobicContact CB-CZ2 4.03Å; F175-W189 HydrophobicContact CB-CZ3 4.43Å; F175-W189 HydrophobicContact CD2-CB 3.76Å; F175-W189 AromaticContact CD2-CD2 3.76Å; F175-W189 HydrophobicContact CD2-CD2 3.76Å; F175-W189 HydrophobicContact CD2-CE3 4.03Å; F175-W189 AromaticContact CD2-CG 3.64Å; F175-W189 HydrophobicContact CD2-CG 3.64Å; F175-W189 HydrophobicContact CE2-CB 4.1Å; F175-W189 HydrophobicContact CE2-CG 4.46Å; F175-W189 HydrophobicContact CG-CD2 4.28Å; F175-W189 HydrophobicContact CG-CE3 4.4Å; F175-A193 HydrophobicContact CE1-CB 4.12Å; F175-A193 HydrophobicContact CZ-CB 3.98Å; F175-V196 HydrophobicContact CB-CG1 4.42Å; F175-V196 HydrophobicContact CD1-CB 4.28Å; F175-V196 HydrophobicContact CD1-CG1 3.63Å; F175-V196 HydrophobicContact CD2-CG1 3.98Å; F175-V196 HydrophobicContact CD2-CG2 4.42Å; F175-V196 HydrophobicContact CE1-CB 3.92Å; F175-V196 HydrophobicContact CE1-CG1 3.8Å; F175-V196 HydrophobicContact CE1-CG2 4.47Å; F175-V196 HydrophobicContact CE2-CB 4.26Å; F175-V196 HydrophobicContact CE2-CG1 4.15Å; F175-V196 HydrophobicContact CE2-CG2 3.94Å; F175-V196 HydrophobicContact CG-CG1 3.71Å; F175-V196 HydrophobicContact CZ-CB 3.92Å; F175-V196 HydrophobicContact CZ-CG1 4.07Å; F175-V196 HydrophobicContact CZ-CG2 3.98Å |
| 176 | V | 98.7 | Very high | 98.3 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 9% | 0.085 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -48.6 | 179.6 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | R109 M112 M172 V173 E174 S178 A179 E180 | R109-V176 HydrophobicContact CB-CG1 3.89Å; R109-V176 HydrophobicContact CG-CG1 4.38Å; M112-V176 HydrophobicContact CB-CG2 3.58Å; M112-V176 HydrophobicContact CG-CG2 3.8Å; M172-V176 WeakPolarHBondContact O-CG2 3.43Å; M172-V176 PolarHBondContact O-N 3.08Å; M172-V176 VanDerWaalsContact O-N 3.17Å; V173-V176 PolarHBondContact O-N 3.11Å; E174-V176 VanDerWaalsContact C-N 3.34Å; E174-V176 PolarHBondContact O-N 2.97Å; V176-S178 VanDerWaalsContact C-N 3.3Å; V176-S178 PolarHBondContact O-N 3.22Å; V176-A179 WeakPolarHBondContact O-CB 3.42Å; V176-A179 PolarHBondContact O-N 3.35Å; V176-A179 VanDerWaalsContact O-N 3.12Å; V176-E180 WeakPolarHBondContact O-CG 3.4Å; V176-E180 PolarHBondContact O-N 2.88Å |
| 177 | R | 98.6 | Very high | 98.3 | Very high | 166 Ų | 166 | 61.8 Ų | 61.8 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.6 | -43 | 177.7 | -71.5 | 175.5 | -178.4 | 168.8 | 0.7 | 111.9 | V173 E174 F175 A179 E180 N181 | V173-R177 WeakPolarHBondContact O-CG 3.43Å; V173-R177 PolarHBondContact O-N 2.87Å; E174-R177 PolarHBondContact O-N 3.05Å; F175-R177 PolarHBondContact O-N 3.14Å; R177-A179 VanDerWaalsContact C-N 3.32Å; R177-A179 PolarHBondContact O-N 3.45Å; R177-E180 PolarHBondContact O-N 3.39Å; R177-N181 PolarHBondContact O-N 2.71Å; R177-N181 VanDerWaalsContact O-N 3.08Å; R177-N181 PolarHBondContact O-OD1 2.86Å |
| 178 | S | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.4 | -28.5 | 178.7 | 75.6 | 0 | 0 | 0 | 0 | 113 | E174 F175 V176 N181 G182 T183 Y184 | E174-S178 WeakPolarHBondContact O-CB 3.43Å; E174-S178 PolarHBondContact O-N 3.23Å; E174-S178 PolarHBondContact O-OG 3.5Å; F175-S178 PolarHBondContact O-N 2.99Å; F175-S178 PolarHBondContact O-OG 3.02Å; V176-S178 VanDerWaalsContact C-N 3.3Å; V176-S178 PolarHBondContact O-N 3.22Å; S178-N181 WeakPolarHBondContact CA-OD1 3.49Å; S178-N181 PolarHBondContact O-OD1 2.69Å; S178-G182 CarbonylContact O-C 3.54Å; S178-G182 PolarHBondContact O-N 3.36Å; S178-T183 PolarHBondContact O-N 3.34Å; S178-Y184 PolarHBondContact O-N 3.31Å; S178-Y184 WeakPolarHBondContact OG-CA 3.25Å; S178-Y184 VanDerWaalsContact OG-CB 3.31Å; S178-Y184 WeakPolarHBondContact OG-CB 3.18Å |
| 179 | A | 98.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.7 | -36.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F104 A108 F175 V176 R177 | F104-A179 HydrophobicContact CD1-CB 3.8Å; F104-A179 HydrophobicContact CE1-CB 3.64Å; A108-A179 HydrophobicContact CB-CB 3.55Å; F175-A179 HydrophobicContact CZ-CB 4.5Å; F175-A179 WeakPolarHBondContact O-CB 3.49Å; F175-A179 PolarHBondContact O-N 3.07Å; V176-A179 WeakPolarHBondContact O-CB 3.42Å; V176-A179 PolarHBondContact O-N 3.35Å; V176-A179 VanDerWaalsContact O-N 3.12Å; R177-A179 VanDerWaalsContact C-N 3.32Å; R177-A179 PolarHBondContact O-N 3.45Å |
| 180 | E | 98.3 | Very high | 98.2 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -74.1 | -35.8 | 179.8 | -69.6 | -179.9 | 136.6 | 0 | 0 | 113.8 | R109 V176 R177 G182 | R109-E180 IonicContact CZ-OE1 2.98Å; R109-E180 IonicContact CZ-OE2 3.6Å; R109-E180 IonicContact NE-OE1 2.67Å; R109-E180 PolarHBondContact NE-OE1 2.87Å; R109-E180 IonicContact NH2-OE1 2.64Å; R109-E180 PolarHBondContact NH2-OE1 2.77Å; R109-E180 IonicContact NH2-OE2 2.74Å; R109-E180 PolarHBondContact NH2-OE2 2.88Å; V176-E180 WeakPolarHBondContact O-CG 3.4Å; V176-E180 PolarHBondContact O-N 2.88Å; R177-E180 PolarHBondContact O-N 3.39Å; E180-G182 VanDerWaalsContact C-N 3.34Å |
| 181 | N | 97.7 | Very high | 98.1 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -0.7 | 176.1 | 71.5 | 9.4 | 0 | 0 | 0 | 113.4 | R177 S178 T183 | R177-N181 PolarHBondContact O-N 2.71Å; R177-N181 VanDerWaalsContact O-N 3.08Å; R177-N181 PolarHBondContact O-OD1 2.86Å; S178-N181 WeakPolarHBondContact CA-OD1 3.49Å; S178-N181 PolarHBondContact O-OD1 2.69Å; N181-T183 VanDerWaalsContact C-N 3.34Å; N181-T183 VanDerWaalsContact CG-OG1 3.26Å; N181-T183 PolarHBondContact ND2-OG1 2.96Å; N181-T183 PolarHBondContact O-N 2.91Å; N181-T183 WeakPolarHBondContact OD1-CB 3.41Å; N181-T183 PolarHBondContact OD1-N 3.39Å; N181-T183 PolarHBondContact OD1-OG1 3.47Å |
| 182 | G | 97.7 | Very high | 98 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | S178 E180 | S178-G182 CarbonylContact O-C 3.54Å; S178-G182 PolarHBondContact O-N 3.36Å; E180-G182 VanDerWaalsContact C-N 3.34Å |
| 183 | T | 98.3 | Very high | 97.9 | Very high | 32 Ų | 32 | 56 Ų | 56 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | trans | -98 | 4.2 | -175.9 | 65.9 | 0 | 0 | 0 | 0 | 114.3 | S178 N181 S185 E186 K187 | S178-T183 PolarHBondContact O-N 3.34Å; N181-T183 VanDerWaalsContact C-N 3.34Å; N181-T183 VanDerWaalsContact CG-OG1 3.26Å; N181-T183 PolarHBondContact ND2-OG1 2.96Å; N181-T183 PolarHBondContact O-N 2.91Å; N181-T183 WeakPolarHBondContact OD1-CB 3.41Å; N181-T183 PolarHBondContact OD1-N 3.39Å; N181-T183 PolarHBondContact OD1-OG1 3.47Å; T183-S185 VanDerWaalsContact C-N 3.26Å; T183-S185 PolarHBondContact O-N 3.29Å; T183-S185 VanDerWaalsContact O-N 3.15Å; T183-E186 WeakPolarHBondContact O-CB 3.5Å; T183-E186 PolarHBondContact O-N 3.33Å; T183-K187 WeakPolarHBondContact O-CG 3.24Å; T183-K187 PolarHBondContact O-N 3.48Å | ||
| 184 | Y | 98 | Very high | 97.9 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -38.4 | -175.4 | 67.4 | -89.5 | 0 | 0 | 0 | 113.9 | F104 S178 K187 G188 W189 S191 | F104-Y184 HydrophobicContact CD1-CD1 4.03Å; F104-Y184 AromaticContact CD1-CE1 3.76Å; F104-Y184 HydrophobicContact CD1-CE1 3.76Å; F104-Y184 AromaticContact CE1-CD1 3.73Å; F104-Y184 HydrophobicContact CE1-CD1 3.73Å; F104-Y184 HydrophobicContact CE1-CD2 4.21Å; F104-Y184 AromaticContact CE1-CE1 3.69Å; F104-Y184 HydrophobicContact CE1-CE1 3.69Å; F104-Y184 HydrophobicContact CE1-CE2 4.21Å; F104-Y184 AromaticContact CE1-CG 3.99Å; F104-Y184 HydrophobicContact CE1-CG 3.99Å; F104-Y184 AromaticContact CE1-CZ 3.94Å; S178-Y184 PolarHBondContact O-N 3.31Å; S178-Y184 WeakPolarHBondContact OG-CA 3.25Å; S178-Y184 VanDerWaalsContact OG-CB 3.31Å; S178-Y184 WeakPolarHBondContact OG-CB 3.18Å; Y184-K187 CarbonylContact O-C 3.47Å; Y184-K187 PolarHBondContact O-N 3.27Å; Y184-G188 PolarHBondContact O-N 3.35Å; Y184-W189 WeakPolarHBondContact O-CB 3.38Å; Y184-W189 PolarHBondContact O-N 3.24Å; Y184-S191 WeakPolarHBondContact OH-CB 3.19Å |
| 185 | S | 97.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 59% | 0.594 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -40.9 | 179 | -168.9 | 0 | 0 | 0 | 0 | 111.9 | T183 K187 G188 | T183-S185 VanDerWaalsContact C-N 3.26Å; T183-S185 PolarHBondContact O-N 3.29Å; T183-S185 VanDerWaalsContact O-N 3.15Å; S185-K187 PolarHBondContact O-N 2.9Å; S185-G188 PolarHBondContact O-N 2.9Å |
| 186 | E | 97.5 | Very high | 97.9 | Very high | 165 Ų | 165 | 51.9 Ų | 51.9 | 77% | 0.771 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -32.9 | 175.8 | -60.7 | 170.4 | -178 | 0 | 0 | 111.2 | T183 G188 | T183-E186 WeakPolarHBondContact O-CB 3.5Å; T183-E186 PolarHBondContact O-N 3.33Å; E186-G188 PolarHBondContact O-N 3.33Å |
| 187 | K | 97.5 | Very high | 97.9 | Very high | 113 Ų | 113 | 51.2 Ų | 51.2 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.8 | 173.3 | -63.8 | -67.1 | -178.7 | -178.5 | 0 | 113.6 | L155 T183 Y184 S185 | L155-K187 VanDerWaalsContact CD1-O 3.29Å; L155-K187 WeakPolarHBondContact CD1-O 3.42Å; T183-K187 WeakPolarHBondContact O-CG 3.24Å; T183-K187 PolarHBondContact O-N 3.48Å; Y184-K187 CarbonylContact O-C 3.47Å; Y184-K187 PolarHBondContact O-N 3.27Å; S185-K187 PolarHBondContact O-N 2.9Å |
| 188 | G | 97.9 | Very high | 97.9 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 13.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L151 S152 Y184 S185 E186 | L151-G188 WeakPolarHBondContact CA-O 3.44Å; S152-G188 PolarHBondContact N-O 3.04Å; S152-G188 VanDerWaalsContact N-O 3.07Å; Y184-G188 PolarHBondContact O-N 3.35Å; S185-G188 PolarHBondContact O-N 2.9Å; E186-G188 PolarHBondContact O-N 3.33Å |
| 189 | W | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | trans | -89.4 | 148.4 | 176.8 | -63.1 | 105.3 | 0 | 0 | 0 | 112.1 | L151 L155 F159 L171 M172 F175 Y184 V196 M199 | L151-W189 HydrophobicContact CD2-CD2 4.5Å; L151-W189 HydrophobicContact CD2-CE3 3.65Å; L151-W189 HydrophobicContact CD2-CZ3 3.92Å; L155-W189 HydrophobicContact CD1-CD2 3.7Å; L155-W189 HydrophobicContact CD1-CE3 4.1Å; L155-W189 HydrophobicContact CD1-CG 4.1Å; L155-W189 HydrophobicContact CD1-CH2 4.36Å; L155-W189 HydrophobicContact CD1-CZ2 3.99Å; L155-W189 HydrophobicContact CD1-CZ3 4.41Å; L155-W189 HydrophobicContact CD2-CH2 4.09Å; L155-W189 HydrophobicContact CD2-CZ2 3.78Å; F159-W189 AromaticContact CE2-CH2 3.65Å; F159-W189 HydrophobicContact CE2-CH2 3.65Å; F159-W189 AromaticContact CE2-CZ3 3.66Å; F159-W189 HydrophobicContact CE2-CZ3 3.66Å; F159-W189 HydrophobicContact CZ-CH2 4.06Å; F159-W189 AromaticContact CZ-CZ3 3.95Å; F159-W189 HydrophobicContact CZ-CZ3 3.95Å; L171-W189 HydrophobicContact CB-CH2 4.2Å; L171-W189 HydrophobicContact CB-CZ2 4.35Å; L171-W189 HydrophobicContact CD2-CZ2 4.45Å; L171-W189 WeakPolarHBondContact O-CZ2 3.41Å; M172-W189 HydrophobicContact CE-CH2 3.53Å; M172-W189 HydrophobicContact CE-CZ3 3.87Å; F175-W189 HydrophobicContact CB-CD2 3.98Å; F175-W189 HydrophobicContact CB-CE3 4.27Å; F175-W189 HydrophobicContact CB-CG 4.46Å; F175-W189 HydrophobicContact CB-CH2 4.32Å; F175-W189 HydrophobicContact CB-CZ2 4.03Å; F175-W189 HydrophobicContact CB-CZ3 4.43Å; F175-W189 HydrophobicContact CD2-CB 3.76Å; F175-W189 AromaticContact CD2-CD2 3.76Å; F175-W189 HydrophobicContact CD2-CD2 3.76Å; F175-W189 HydrophobicContact CD2-CE3 4.03Å; F175-W189 AromaticContact CD2-CG 3.64Å; F175-W189 HydrophobicContact CD2-CG 3.64Å; F175-W189 HydrophobicContact CE2-CB 4.1Å; F175-W189 HydrophobicContact CE2-CG 4.46Å; F175-W189 HydrophobicContact CG-CD2 4.28Å; F175-W189 HydrophobicContact CG-CE3 4.4Å; Y184-W189 WeakPolarHBondContact O-CB 3.38Å; Y184-W189 PolarHBondContact O-N 3.24Å; W189-V196 HydrophobicContact CE3-CG1 4.15Å; W189-V196 HydrophobicContact CZ3-CG1 4.13Å; W189-M199 HydrophobicContact CE3-CE 4.26Å; W189-M199 HydrophobicContact CZ3-CE 3.73Å | ||
| 190 | P | 97.3 | Very high | 97.9 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 7% | 0.065 | 24% | 0.241 | C | C | . | . | trans | -78.4 | 155.7 | 173.8 | 32.7 | -35.1 | 0 | 0 | 0 | 112.4 | M147 K150 N192 V196 | M147-P190 HydrophobicContact CB-CG 4.06Å; M147-P190 HydrophobicContact CG-CG 4.15Å; M147-P190 HydrophobicContact SD-CB 3.62Å; M147-P190 HydrophobicContact SD-CG 3.58Å; M147-P190 VanDerWaalsContact SD-CG 3.58Å; K150-P190 HydrophobicContact CB-CB 3.92Å; K150-P190 HydrophobicContact CD-CB 4.32Å; P190-N192 PolarHBondContact O-N 2.96Å; P190-V196 HydrophobicContact CG-CG2 3.56Å | ||
| 191 | S | 95.7 | Very high | 97.9 | Very high | 81 Ų | 81 | 39.9 Ų | 39.9 | 57% | 0.566 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -77.2 | 33.9 | 178.1 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | F104 Y184 | F104-S191 WeakPolarHBondContact CE2-O 3.33Å; Y184-S191 WeakPolarHBondContact OH-CB 3.19Å |
| 192 | N | 96.9 | Very high | 98 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 31% | 0.31 | 20% | 0.201 | S | C | . | . | trans | -135.4 | 92.5 | 179.2 | -170.2 | -51.6 | 0 | 0 | 0 | 111.3 | M147 P190 Y194 G195 V196 | M147-N192 HydrophobicContact CE-CB 4.36Å; M147-N192 HydrophobicContact SD-CB 3.6Å; M147-N192 VanDerWaalsContact SD-CB 3.6Å; P190-N192 PolarHBondContact O-N 2.96Å; N192-Y194 VanDerWaalsContact C-N 3.32Å; N192-Y194 PolarHBondContact O-N 2.87Å; N192-Y194 PolarHBondContact OD1-N 3.33Å; N192-G195 PolarHBondContact O-N 2.93Å; N192-G195 PolarHBondContact OD1-N 2.85Å; N192-V196 WeakPolarHBondContact O-CG2 3.29Å; N192-V196 PolarHBondContact O-N 3.15Å | ||
| 193 | A | 97.8 | Very high | 98 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -35.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | F104 A108 L111 F175 V196 S197 | F104-A193 HydrophobicContact CE2-CB 3.93Å; F104-A193 HydrophobicContact CZ-CB 4.2Å; A108-A193 HydrophobicContact CB-CB 3.92Å; L111-A193 HydrophobicContact CD1-CB 3.66Å; F175-A193 HydrophobicContact CE1-CB 4.12Å; F175-A193 HydrophobicContact CZ-CB 3.98Å; A193-V196 PolarHBondContact O-N 3.39Å; A193-S197 WeakPolarHBondContact O-CB 3.45Å; A193-S197 PolarHBondContact O-N 3.37Å |
| 194 | Y | 98.2 | Very high | 98 | Very high | 53 Ų | 53 | 31.9 Ų | 31.9 | 21% | 0.208 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -48.4 | 177.8 | 172.4 | -95.5 | 0 | 0 | 0 | 110.1 | I94 A95 L111 A141 L143 N192 V196 S197 K198 M233 | I94-Y194 WeakPolarHBondContact O-CD2 3.32Å; I94-Y194 WeakPolarHBondContact O-CE2 3.41Å; A95-Y194 HydrophobicContact CB-CD2 3.76Å; A95-Y194 HydrophobicContact CB-CE2 3.89Å; A95-Y194 HydrophobicContact CB-CG 4.47Å; L111-Y194 HydrophobicContact CD2-CD2 4.15Å; A141-Y194 HydrophobicContact CB-CE1 4.23Å; L143-Y194 HydrophobicContact CD2-CD1 3.72Å; L143-Y194 HydrophobicContact CD2-CE1 4.26Å; N192-Y194 VanDerWaalsContact C-N 3.32Å; N192-Y194 PolarHBondContact O-N 2.87Å; N192-Y194 PolarHBondContact OD1-N 3.33Å; Y194-V196 VanDerWaalsContact C-N 3.34Å; Y194-V196 PolarHBondContact O-N 2.84Å; Y194-S197 PolarHBondContact O-N 2.97Å; Y194-S197 PolarHBondContact O-OG 3.03Å; Y194-K198 HydrophobicContact CE1-CG 4.06Å; Y194-K198 HydrophobicContact CE2-CG 4.29Å; Y194-K198 PolarHBondContact O-N 2.88Å; Y194-M233 HydrophobicContact CE2-SD 4.39Å |
| 195 | G | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N192 K198 M199 | N192-G195 PolarHBondContact O-N 2.93Å; N192-G195 PolarHBondContact OD1-N 2.85Å; G195-K198 PolarHBondContact O-N 3.44Å; G195-M199 WeakPolarHBondContact O-CB 3.38Å; G195-M199 PolarHBondContact O-N 3.21Å |
| 196 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | M112 M172 F175 W189 P190 N192 A193 Y194 K198 M199 G200 | M112-V196 HydrophobicContact CE-CG1 3.97Å; M172-V196 HydrophobicContact SD-CG1 4.34Å; F175-V196 HydrophobicContact CB-CG1 4.42Å; F175-V196 HydrophobicContact CD1-CB 4.28Å; F175-V196 HydrophobicContact CD1-CG1 3.63Å; F175-V196 HydrophobicContact CD2-CG1 3.98Å; F175-V196 HydrophobicContact CD2-CG2 4.42Å; F175-V196 HydrophobicContact CE1-CB 3.92Å; F175-V196 HydrophobicContact CE1-CG1 3.8Å; F175-V196 HydrophobicContact CE1-CG2 4.47Å; F175-V196 HydrophobicContact CE2-CB 4.26Å; F175-V196 HydrophobicContact CE2-CG1 4.15Å; F175-V196 HydrophobicContact CE2-CG2 3.94Å; F175-V196 HydrophobicContact CG-CG1 3.71Å; F175-V196 HydrophobicContact CZ-CB 3.92Å; F175-V196 HydrophobicContact CZ-CG1 4.07Å; F175-V196 HydrophobicContact CZ-CG2 3.98Å; W189-V196 HydrophobicContact CE3-CG1 4.15Å; W189-V196 HydrophobicContact CZ3-CG1 4.13Å; P190-V196 HydrophobicContact CG-CG2 3.56Å; N192-V196 WeakPolarHBondContact O-CG2 3.29Å; N192-V196 PolarHBondContact O-N 3.15Å; A193-V196 PolarHBondContact O-N 3.39Å; Y194-V196 VanDerWaalsContact C-N 3.34Å; Y194-V196 PolarHBondContact O-N 2.84Å; V196-K198 VanDerWaalsContact C-N 3.32Å; V196-K198 PolarHBondContact O-N 2.81Å; V196-M199 HydrophobicContact CG1-CE 4.06Å; V196-M199 HydrophobicContact CG2-CE 4.45Å; V196-M199 WeakPolarHBondContact O-CB 3.24Å; V196-M199 PolarHBondContact O-N 2.9Å; V196-G200 PolarHBondContact O-N 3.42Å |
| 197 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61 | -39.8 | 175.7 | 77.7 | 0 | 0 | 0 | 0 | 112.4 | N115 A193 Y194 G200 L201 | N115-S197 WeakPolarHBondContact CB-OG 3.39Å; N115-S197 PolarHBondContact ND2-OG 3.28Å; N115-S197 VanDerWaalsContact ND2-OG 3.16Å; A193-S197 WeakPolarHBondContact O-CB 3.45Å; A193-S197 PolarHBondContact O-N 3.37Å; Y194-S197 PolarHBondContact O-N 2.97Å; Y194-S197 PolarHBondContact O-OG 3.03Å; S197-G200 PolarHBondContact O-N 3.04Å; S197-L201 PolarHBondContact O-N 2.67Å |
| 198 | K | 98.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 14.4 Ų | 14.4 | 4% | 0.035 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -73.6 | -31.7 | 176.2 | -64.4 | -48.8 | -165 | 172.1 | 0 | 112.8 | M139 S140 A141 Y194 G195 V196 L201 T202 | M139-K198 PolarHBondContact O-NZ 2.77Å; S140-K198 PolarHBondContact OG-O 3.35Å; S140-K198 VanDerWaalsContact OG-O 3.04Å; A141-K198 HydrophobicContact CB-CB 4.25Å; A141-K198 HydrophobicContact CB-CG 4.04Å; Y194-K198 HydrophobicContact CE1-CG 4.06Å; Y194-K198 HydrophobicContact CE2-CG 4.29Å; Y194-K198 PolarHBondContact O-N 2.88Å; G195-K198 PolarHBondContact O-N 3.44Å; V196-K198 VanDerWaalsContact C-N 3.32Å; V196-K198 PolarHBondContact O-N 2.81Å; K198-L201 PolarHBondContact O-N 3.19Å; K198-T202 PolarHBondContact O-N 3.39Å; K198-T202 PolarHBondContact O-OG1 3.42Å |
| 199 | M | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 169.6 | 179.3 | 178 | 78 | 0 | 0 | 111.9 | M147 L148 L151 F159 W189 G195 V196 T202 K203 W275 | M147-M199 HydrophobicContact CB-SD 4.02Å; L148-M199 HydrophobicContact CB-SD 4.15Å; L148-M199 HydrophobicContact CD1-SD 4.43Å; L148-M199 PolarHBondContact N-SD 3.43Å; L151-M199 HydrophobicContact CD1-CE 3.96Å; L151-M199 HydrophobicContact CD1-SD 3.81Å; L151-M199 HydrophobicContact CD2-CE 3.86Å; L151-M199 HydrophobicContact CD2-SD 4.45Å; L151-M199 HydrophobicContact CG-CE 4.25Å; L151-M199 HydrophobicContact CG-SD 4.21Å; F159-M199 HydrophobicContact CD1-CE 4.47Å; F159-M199 HydrophobicContact CD1-CG 3.91Å; F159-M199 HydrophobicContact CD1-SD 4.41Å; F159-M199 HydrophobicContact CD2-CE 4.43Å; F159-M199 HydrophobicContact CE1-CE 3.84Å; F159-M199 HydrophobicContact CE1-CG 3.65Å; F159-M199 HydrophobicContact CE1-SD 4.24Å; F159-M199 HydrophobicContact CE2-CE 3.77Å; F159-M199 HydrophobicContact CZ-CE 3.4Å; F159-M199 HydrophobicContact CZ-CG 4.22Å; F159-M199 HydrophobicContact CZ-SD 4.33Å; W189-M199 HydrophobicContact CE3-CE 4.26Å; W189-M199 HydrophobicContact CZ3-CE 3.73Å; G195-M199 WeakPolarHBondContact O-CB 3.38Å; G195-M199 PolarHBondContact O-N 3.21Å; V196-M199 HydrophobicContact CG1-CE 4.06Å; V196-M199 HydrophobicContact CG2-CE 4.45Å; V196-M199 WeakPolarHBondContact O-CB 3.24Å; V196-M199 PolarHBondContact O-N 2.9Å; M199-T202 PolarHBondContact O-N 2.81Å; M199-K203 PolarHBondContact O-N 2.9Å; M199-W275 HydrophobicContact CB-CH2 4.36Å; M199-W275 HydrophobicContact CG-CH2 3.82Å; M199-W275 HydrophobicContact CG-CZ2 3.95Å |
| 200 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.3 | -49.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F116 V196 S197 T202 K203 A204 | F116-G200 WeakPolarHBondContact CE2-O 3.3Å; V196-G200 PolarHBondContact O-N 3.42Å; S197-G200 PolarHBondContact O-N 3.04Å; G200-T202 PolarHBondContact O-N 3.42Å; G200-K203 PolarHBondContact O-N 3.23Å; G200-A204 WeakPolarHBondContact O-CB 3.43Å; G200-A204 PolarHBondContact O-N 3.13Å |
| 201 | L | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | -179.6 | -177.9 | 61.3 | 0 | 0 | 0 | 112.9 | T119 V120 N138 M139 S197 K198 A204 S205 | T119-L201 HydrophobicContact CG2-CD1 3.59Å; T119-L201 HydrophobicContact CG2-CD2 4.34Å; V120-L201 HydrophobicContact CG2-CD1 4.48Å; N138-L201 HydrophobicContact CB-CD1 4.2Å; N138-L201 HydrophobicContact CB-CD2 4.37Å; N138-L201 HydrophobicContact CB-CG 4.22Å; M139-L201 WeakPolarHBondContact O-CD2 3.42Å; S197-L201 PolarHBondContact O-N 2.67Å; K198-L201 PolarHBondContact O-N 3.19Å; L201-A204 PolarHBondContact O-N 3.16Å; L201-S205 PolarHBondContact O-N 3.1Å; L201-S205 PolarHBondContact O-OG 2.88Å |
| 202 | T | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 173.6 | -71.3 | 0 | 0 | 0 | 0 | 110.8 | S140 K198 M199 G200 S205 F206 F266 W275 | S140-T202 VanDerWaalsContact CB-OG1 3.28Å; S140-T202 WeakPolarHBondContact CB-OG1 3.48Å; S140-T202 PolarHBondContact OG-OG1 2.83Å; K198-T202 PolarHBondContact O-N 3.39Å; K198-T202 PolarHBondContact O-OG1 3.42Å; M199-T202 PolarHBondContact O-N 2.81Å; G200-T202 PolarHBondContact O-N 3.42Å; T202-S205 WeakPolarHBondContact O-CB 3.32Å; T202-S205 PolarHBondContact O-N 3.22Å; T202-F206 HydrophobicContact CG2-CD2 4.02Å; T202-F206 HydrophobicContact CG2-CE2 3.58Å; T202-F206 VanDerWaalsContact O-CD2 3.29Å; T202-F206 WeakPolarHBondContact O-CD2 3.43Å; T202-F206 PolarHBondContact O-N 2.91Å; T202-F206 VanDerWaalsContact O-N 3.12Å; T202-F266 HydrophobicContact CG2-CB 4.22Å; T202-F266 HydrophobicContact CG2-CD2 4.17Å; T202-F266 HydrophobicContact CG2-CG 4.37Å; T202-W275 HydrophobicContact CG2-CD2 3.93Å; T202-W275 HydrophobicContact CG2-CE3 3.51Å; T202-W275 HydrophobicContact CG2-CH2 3.85Å; T202-W275 HydrophobicContact CG2-CZ2 4.19Å; T202-W275 HydrophobicContact CG2-CZ3 3.49Å; T202-W275 VanDerWaalsContact CG2-CZ3 3.49Å |
| 203 | K | 98.5 | Very high | 98.2 | Very high | 14 Ų | 14 | 23.6 Ų | 23.6 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 176.6 | -176.9 | 54.4 | 173.5 | -168.3 | 0 | 112.1 | F159 G161 M163 L168 M199 G200 S205 F206 I207 | F159-K203 HydrophobicContact CD1-CB 3.94Å; F159-K203 HydrophobicContact CD1-CG 4.09Å; F159-K203 HydrophobicContact CE1-CB 4.11Å; F159-K203 HydrophobicContact CE1-CG 4.46Å; F159-K203 VanDerWaalsContact O-CD 3.32Å; F159-K203 WeakPolarHBondContact O-CD 3.44Å; F159-K203 VanDerWaalsContact O-CE 3.3Å; F159-K203 WeakPolarHBondContact O-CE 3.46Å; F159-K203 PolarHBondContact O-NZ 3.27Å; G161-K203 PolarHBondContact O-NZ 2.89Å; M163-K203 HydrophobicContact SD-CG 4.42Å; L168-K203 HydrophobicContact CD1-CB 4.07Å; L168-K203 HydrophobicContact CD1-CG 3.84Å; L168-K203 HydrophobicContact CD2-CB 4.02Å; L168-K203 HydrophobicContact CD2-CG 3.93Å; L168-K203 HydrophobicContact CG-CG 4.46Å; M199-K203 PolarHBondContact O-N 2.9Å; G200-K203 PolarHBondContact O-N 3.23Å; K203-S205 VanDerWaalsContact C-N 3.25Å; K203-S205 PolarHBondContact O-N 2.93Å; K203-F206 WeakPolarHBondContact O-CB 3.31Å; K203-F206 PolarHBondContact O-N 2.94Å; K203-I207 HydrophobicContact CD-CG1 4.48Å; K203-I207 HydrophobicContact CG-CD1 4.18Å; K203-I207 WeakPolarHBondContact O-CG1 3.46Å; K203-I207 PolarHBondContact O-N 3.24Å |
| 204 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.7 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F116 V120 L165 L168 G200 L201 F206 I207 F208 | F116-A204 HydrophobicContact CE2-CB 4.16Å; V120-A204 HydrophobicContact CG2-CB 3.56Å; L165-A204 HydrophobicContact CD2-CB 4.12Å; L168-A204 HydrophobicContact CD2-CB 3.73Å; G200-A204 WeakPolarHBondContact O-CB 3.43Å; G200-A204 PolarHBondContact O-N 3.13Å; L201-A204 PolarHBondContact O-N 3.16Å; A204-F206 VanDerWaalsContact C-N 3.3Å; A204-F206 PolarHBondContact O-N 3.33Å; A204-I207 PolarHBondContact O-N 2.83Å; A204-I207 VanDerWaalsContact O-N 3.15Å; A204-F208 HydrophobicContact CB-CD2 4.47Å; A204-F208 HydrophobicContact CB-CE2 4.22Å; A204-F208 WeakPolarHBondContact O-CD2 3.47Å; A204-F208 WeakPolarHBondContact O-CG 3.48Å; A204-F208 PolarHBondContact O-N 2.97Å |
| 205 | S | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 175.6 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | N138 L201 T202 K203 G209 N264 | N138-S205 WeakPolarHBondContact CB-OG 3.36Å; N138-S205 PolarHBondContact ND2-OG 3.38Å; L201-S205 PolarHBondContact O-N 3.1Å; L201-S205 PolarHBondContact O-OG 2.88Å; T202-S205 WeakPolarHBondContact O-CB 3.32Å; T202-S205 PolarHBondContact O-N 3.22Å; K203-S205 VanDerWaalsContact C-N 3.25Å; K203-S205 PolarHBondContact O-N 2.93Å; S205-G209 PolarHBondContact O-N 2.79Å; S205-N264 PolarHBondContact O-OD1 3.27Å |
| 206 | F | 98.4 | Very high | 97.8 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 173.6 | -74.7 | -61.5 | 0 | 0 | 0 | 113.1 | T202 K203 A204 G209 E210 N264 F266 W275 | T202-F206 HydrophobicContact CG2-CD2 4.02Å; T202-F206 HydrophobicContact CG2-CE2 3.58Å; T202-F206 VanDerWaalsContact O-CD2 3.29Å; T202-F206 WeakPolarHBondContact O-CD2 3.43Å; T202-F206 PolarHBondContact O-N 2.91Å; T202-F206 VanDerWaalsContact O-N 3.12Å; K203-F206 WeakPolarHBondContact O-CB 3.31Å; K203-F206 PolarHBondContact O-N 2.94Å; A204-F206 VanDerWaalsContact C-N 3.3Å; A204-F206 PolarHBondContact O-N 3.33Å; F206-G209 PolarHBondContact O-N 2.78Å; F206-E210 PolarHBondContact O-N 3.32Å; F206-N264 WeakPolarHBondContact CA-OD1 3.3Å; F206-N264 WeakPolarHBondContact CD1-O 3.48Å; F206-N264 WeakPolarHBondContact CD1-OD1 3.36Å; F206-N264 WeakPolarHBondContact CE1-O 3.49Å; F206-N264 PolarHBondContact O-ND2 3.46Å; F206-N264 PolarHBondContact O-OD1 2.9Å; F206-F266 HydrophobicContact CZ-CB 4.18Å; F206-W275 HydrophobicContact CD2-CG 4.16Å; F206-W275 HydrophobicContact CE2-CB 3.54Å; F206-W275 AromaticContact CE2-CD1 3.79Å; F206-W275 AromaticContact CE2-CD2 3.78Å; F206-W275 HydrophobicContact CE2-CD2 3.78Å; F206-W275 HydrophobicContact CE2-CE3 4.32Å; F206-W275 AromaticContact CE2-CG 3.39Å; F206-W275 HydrophobicContact CE2-CG 3.39Å; F206-W275 HydrophobicContact CZ-CB 3.63Å; F206-W275 HydrophobicContact CZ-CG 4.03Å |
| 207 | I | 98.5 | Very high | 97.7 | Very high | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.2 | -47 | 179.1 | -61 | 171.2 | 0 | 0 | 0 | 110.4 | M163 L165 L168 K203 A204 G209 E210 M211 | M163-I207 HydrophobicContact CB-CD1 4.36Å; M163-I207 HydrophobicContact CG-CD1 4.35Å; M163-I207 WeakPolarHBondContact O-CD1 3.08Å; M163-I207 VanDerWaalsContact O-CG1 3.3Å; M163-I207 WeakPolarHBondContact O-CG1 3.48Å; L165-I207 HydrophobicContact CD2-CB 4.27Å; L165-I207 HydrophobicContact CD2-CD1 4.35Å; L165-I207 HydrophobicContact CD2-CG2 4.13Å; L165-I207 HydrophobicContact CG-CG2 3.82Å; L168-I207 HydrophobicContact CB-CD1 4.07Å; L168-I207 HydrophobicContact CD2-CD1 3.82Å; K203-I207 HydrophobicContact CD-CG1 4.48Å; K203-I207 HydrophobicContact CG-CD1 4.18Å; K203-I207 WeakPolarHBondContact O-CG1 3.46Å; K203-I207 PolarHBondContact O-N 3.24Å; A204-I207 PolarHBondContact O-N 2.83Å; A204-I207 VanDerWaalsContact O-N 3.15Å; I207-G209 VanDerWaalsContact C-N 3.32Å; I207-G209 PolarHBondContact O-N 3.14Å; I207-E210 PolarHBondContact O-N 2.78Å; I207-M211 HydrophobicContact CG2-SD 4.02Å; I207-M211 VanDerWaalsContact O-CG 3.31Å; I207-M211 WeakPolarHBondContact O-CG 3.48Å; I207-M211 PolarHBondContact O-N 3.46Å |
| 208 | F | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 174.7 | -72.9 | -54.9 | 0 | 0 | 0 | 112.1 | V120 T123 E124 I127 L165 A204 E210 M211 L212 I221 | V120-F208 HydrophobicContact CG1-CE2 4.24Å; V120-F208 HydrophobicContact CG1-CZ 3.94Å; T123-F208 HydrophobicContact CG2-CD1 4.36Å; T123-F208 HydrophobicContact CG2-CD2 3.85Å; T123-F208 HydrophobicContact CG2-CE1 4.09Å; T123-F208 HydrophobicContact CG2-CE2 3.57Å; T123-F208 HydrophobicContact CG2-CG 4.25Å; T123-F208 HydrophobicContact CG2-CZ 3.7Å; E124-F208 HydrophobicContact CG-CE1 3.6Å; E124-F208 HydrophobicContact CG-CZ 3.77Å; I127-F208 HydrophobicContact CD1-CD1 3.5Å; I127-F208 HydrophobicContact CD1-CE1 3.7Å; I127-F208 HydrophobicContact CD1-CG 4.33Å; L165-F208 HydrophobicContact CD1-CD1 4.06Å; L165-F208 HydrophobicContact CD1-CE1 3.42Å; L165-F208 VanDerWaalsContact CD1-CE1 3.42Å; L165-F208 HydrophobicContact CD1-CZ 3.81Å; L165-F208 HydrophobicContact CD2-CE1 4.43Å; L165-F208 HydrophobicContact CD2-CE2 4.38Å; L165-F208 HydrophobicContact CD2-CZ 4.16Å; A204-F208 HydrophobicContact CB-CD2 4.47Å; A204-F208 HydrophobicContact CB-CE2 4.22Å; A204-F208 WeakPolarHBondContact O-CD2 3.47Å; A204-F208 WeakPolarHBondContact O-CG 3.48Å; A204-F208 PolarHBondContact O-N 2.97Å; F208-E210 VanDerWaalsContact C-N 3.29Å; F208-E210 PolarHBondContact O-N 2.75Å; F208-M211 HydrophobicContact CD1-SD 4.38Å; F208-M211 PolarHBondContact O-N 3.04Å; F208-L212 WeakPolarHBondContact O-CB 3.42Å; F208-L212 WeakPolarHBondContact O-CD1 3.44Å; F208-L212 VanDerWaalsContact O-CG 3.26Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 2.66Å; F208-I221 HydrophobicContact CB-CD1 3.81Å; F208-I221 HydrophobicContact CB-CG2 4.12Å; F208-I221 HydrophobicContact CD2-CD1 4.1Å; F208-I221 HydrophobicContact CG-CD1 4.24Å |
| 209 | G | 97.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S205 F206 I207 K213 I221 | S205-G209 PolarHBondContact O-N 2.79Å; F206-G209 PolarHBondContact O-N 2.78Å; I207-G209 VanDerWaalsContact C-N 3.32Å; I207-G209 PolarHBondContact O-N 3.14Å; G209-K213 PolarHBondContact O-N 3.29Å; G209-K213 VanDerWaalsContact O-N 3.15Å; G209-I221 VanDerWaalsContact N-CG2 3.35Å |
| 210 | E | 97.6 | Very high | 97.4 | Very high | 101 Ų | 101 | 40.2 Ų | 40.2 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.2 | -41.2 | 172.2 | -173.2 | 61.6 | -158.4 | 0 | 0 | 111.7 | F206 I207 F208 L212 K213 N264 | F206-E210 PolarHBondContact O-N 3.32Å; I207-E210 PolarHBondContact O-N 2.78Å; F208-E210 VanDerWaalsContact C-N 3.29Å; F208-E210 PolarHBondContact O-N 2.75Å; E210-L212 VanDerWaalsContact C-N 3.27Å; E210-L212 PolarHBondContact O-N 3.21Å; E210-K213 WeakPolarHBondContact O-CD 3.48Å; E210-K213 VanDerWaalsContact O-CG 3.25Å; E210-K213 WeakPolarHBondContact O-CG 3.39Å; E210-K213 PolarHBondContact O-N 2.85Å; E210-K213 VanDerWaalsContact OE1-CD 3.29Å; E210-K213 WeakPolarHBondContact OE1-CD 3.18Å; E210-K213 WeakPolarHBondContact OE1-CE 3.48Å; E210-K213 IonicContact OE1-NZ 2.71Å; E210-K213 PolarHBondContact OE1-NZ 2.96Å; E210-N264 PolarHBondContact N-ND2 2.85Å |
| 211 | M | 97.3 | Very high | 97.4 | Very high | 121 Ų | 121 | 40.3 Ų | 40.3 | 60% | 0.596 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -63 | -33.4 | 175.5 | -70.2 | 168.2 | 60.1 | 0 | 0 | 112.7 | L165 I207 F208 | L165-M211 HydrophobicContact CD1-SD 4.11Å; I207-M211 HydrophobicContact CG2-SD 4.02Å; I207-M211 VanDerWaalsContact O-CG 3.31Å; I207-M211 WeakPolarHBondContact O-CG 3.48Å; I207-M211 PolarHBondContact O-N 3.46Å; F208-M211 HydrophobicContact CD1-SD 4.38Å; F208-M211 PolarHBondContact O-N 3.04Å |
| 212 | L | 96.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -0.8 | -176 | -66.8 | 166.8 | 0 | 0 | 0 | 113.6 | I127 F208 E210 D214 D215 I219 I221 | I127-L212 HydrophobicContact CD1-CD1 4.39Å; I127-L212 HydrophobicContact CG2-CD2 4.17Å; F208-L212 WeakPolarHBondContact O-CB 3.42Å; F208-L212 WeakPolarHBondContact O-CD1 3.44Å; F208-L212 VanDerWaalsContact O-CG 3.26Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 2.66Å; E210-L212 VanDerWaalsContact C-N 3.27Å; E210-L212 PolarHBondContact O-N 3.21Å; L212-D214 PolarHBondContact O-N 2.77Å; L212-D215 HydrophobicContact CD2-CB 4.23Å; L212-D215 WeakPolarHBondContact O-CB 3.3Å; L212-D215 PolarHBondContact O-N 3.14Å; L212-D215 VanDerWaalsContact O-N 3.08Å; L212-I219 HydrophobicContact CD1-CG2 3.85Å; L212-I219 HydrophobicContact CD2-CD1 4.17Å; L212-I221 HydrophobicContact CD1-CG2 4.27Å |
| 213 | K | 95.7 | Very high | 97.4 | Very high | 123 Ų | 123 | 40.4 Ų | 40.4 | 54% | 0.535 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.8 | -171.6 | 76.2 | -172.9 | 178.1 | 179.8 | 0 | 113.6 | G209 E210 | G209-K213 PolarHBondContact O-N 3.29Å; G209-K213 VanDerWaalsContact O-N 3.15Å; E210-K213 WeakPolarHBondContact O-CD 3.48Å; E210-K213 VanDerWaalsContact O-CG 3.25Å; E210-K213 WeakPolarHBondContact O-CG 3.39Å; E210-K213 PolarHBondContact O-N 2.85Å; E210-K213 VanDerWaalsContact OE1-CD 3.29Å; E210-K213 WeakPolarHBondContact OE1-CD 3.18Å; E210-K213 WeakPolarHBondContact OE1-CE 3.48Å; E210-K213 IonicContact OE1-NZ 2.71Å; E210-K213 PolarHBondContact OE1-NZ 2.96Å |
| 214 | D | 95.2 | Very high | 97.4 | Very high | 133 Ų | 133 | 39.8 Ų | 39.8 | 71% | 0.711 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 11 | -178.4 | -58.3 | -46.1 | 0 | 0 | 0 | 111.8 | L212 | L212-D214 PolarHBondContact O-N 2.77Š|
| 215 | D | 96 | Very high | 97.4 | Very high | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | trans | -65.6 | 123.9 | 177.6 | -169.1 | -55.2 | 0 | 0 | 0 | 109.6 | L212 R217 G218 | L212-D215 HydrophobicContact CD2-CB 4.23Å; L212-D215 WeakPolarHBondContact O-CB 3.3Å; L212-D215 PolarHBondContact O-N 3.14Å; L212-D215 VanDerWaalsContact O-N 3.08Å; D215-R217 PolarHBondContact O-N 3.4Å; D215-R217 WeakPolarHBondContact OD1-CB 3.34Å; D215-R217 WeakPolarHBondContact OD1-CG 3.16Å; D215-R217 IonicContact OD1-CZ 3.92Å; D215-R217 PolarHBondContact OD1-N 3.01Å; D215-R217 IonicContact OD1-NE 3.8Å; D215-R217 PolarHBondContact OD1-NE 2.85Å; D215-R217 IonicContact OD1-NH2 2.79Å; D215-R217 IonicContact OD2-CZ 3.84Å; D215-R217 IonicContact OD2-NE 2.69Å; D215-R217 PolarHBondContact OD2-NE 2.91Å; D215-R217 IonicContact OD2-NH2 2.94Å; D215-R217 PolarHBondContact OD2-NH2 3.45Å; D215-G218 PolarHBondContact O-N 3.47Å | ||
| 216 | P | 96.1 | Very high | 97.4 | Very high | 128 Ų | 128 | 40.6 Ų | 40.6 | 83% | 0.831 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.7 | -175.1 | 26.9 | -36.2 | 0 | 0 | 0 | 113.1 | G218 | P216-G218 PolarHBondContact O-N 3.38Š|
| 217 | R | 96.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 39.6 Ų | 39.6 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -10.8 | 176.3 | -62.4 | 173.3 | -71 | 172.5 | -3.5 | 112.7 | I127 P128 L130 N133 D215 I219 | I127-R217 PolarHBondContact O-NH1 3.07Å; P128-R217 PolarHBondContact O-NH1 3.2Å; L130-R217 PolarHBondContact O-NH1 2.91Å; N133-R217 WeakPolarHBondContact CA-O 3.06Å; N133-R217 PolarHBondContact N-O 3.28Å; D215-R217 PolarHBondContact O-N 3.4Å; D215-R217 WeakPolarHBondContact OD1-CB 3.34Å; D215-R217 WeakPolarHBondContact OD1-CG 3.16Å; D215-R217 IonicContact OD1-CZ 3.92Å; D215-R217 PolarHBondContact OD1-N 3.01Å; D215-R217 IonicContact OD1-NE 3.8Å; D215-R217 PolarHBondContact OD1-NE 2.85Å; D215-R217 IonicContact OD1-NH2 2.79Å; D215-R217 IonicContact OD2-CZ 3.84Å; D215-R217 IonicContact OD2-NE 2.69Å; D215-R217 PolarHBondContact OD2-NE 2.91Å; D215-R217 IonicContact OD2-NH2 2.94Å; D215-R217 PolarHBondContact OD2-NH2 3.45Å; R217-I219 HydrophobicContact CB-CD1 4.05Å; R217-I219 HydrophobicContact CB-CG1 3.94Å; R217-I219 PolarHBondContact O-N 2.83Å |
| 218 | G | 95.7 | Very high | 97.2 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | trans | 66.9 | 35.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R135 D215 P216 | R135-G218 PolarHBondContact NH1-O 3.45Å; D215-G218 PolarHBondContact O-N 3.47Å; P216-G218 PolarHBondContact O-N 3.38Å | ||
| 219 | I | 96.6 | Very high | 97.2 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | trans | -69.7 | 136.2 | -179.8 | -63.9 | 164.6 | 0 | 0 | 0 | 109.7 | L130 A134 L212 R217 | L130-I219 HydrophobicContact CB-CD1 3.7Å; L130-I219 HydrophobicContact CB-CG1 4.28Å; L130-I219 HydrophobicContact CD1-CD1 3.92Å; L130-I219 HydrophobicContact CD1-CG1 4.44Å; L130-I219 HydrophobicContact CD1-CG2 3.74Å; L130-I219 HydrophobicContact CG-CD1 4.47Å; A134-I219 HydrophobicContact CB-CG1 4.27Å; L212-I219 HydrophobicContact CD1-CG2 3.85Å; L212-I219 HydrophobicContact CD2-CD1 4.17Å; R217-I219 HydrophobicContact CB-CD1 4.05Å; R217-I219 HydrophobicContact CB-CG1 3.94Å; R217-I219 PolarHBondContact O-N 2.83Å | ||
| 220 | V | 97.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.055 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124 | 175.2 | 174.2 | 0 | 0 | 0 | 0 | 109.5 | A134 R135 V136 N222 I263 | A134-V220 PolarHBondContact O-N 2.91Å; R135-V220 WeakPolarHBondContact CA-O 3.22Å; V136-V220 PolarHBondContact N-O 2.84Å; V220-N222 VanDerWaalsContact CG1-ND2 3.35Å; V220-N222 WeakPolarHBondContact CG1-ND2 3.25Å; V220-I263 HydrophobicContact CG1-CB 4.47Å; V220-I263 HydrophobicContact CG1-CG1 4.2Å; V220-I263 HydrophobicContact CG1-CG2 4.45Å; V220-I263 HydrophobicContact CG2-CD1 4.39Å; V220-I263 HydrophobicContact CG2-CG1 4.07Å; V220-I263 HydrophobicContact CG2-CG2 4.48Å |
| 221 | I | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.3 | 170.2 | -171.4 | 162 | 0 | 0 | 0 | 110.2 | T123 V136 F208 G209 L212 N264 | T123-I221 HydrophobicContact CG2-CD1 4.25Å; V136-I221 HydrophobicContact CB-CB 3.98Å; V136-I221 HydrophobicContact CB-CD1 3.94Å; V136-I221 HydrophobicContact CB-CG1 3.76Å; V136-I221 HydrophobicContact CG1-CD1 3.59Å; V136-I221 HydrophobicContact CG1-CG1 3.83Å; V136-I221 WeakPolarHBondContact O-CA 3.19Å; F208-I221 HydrophobicContact CB-CD1 3.81Å; F208-I221 HydrophobicContact CB-CG2 4.12Å; F208-I221 HydrophobicContact CD2-CD1 4.1Å; F208-I221 HydrophobicContact CG-CD1 4.24Å; G209-I221 VanDerWaalsContact N-CG2 3.35Å; L212-I221 HydrophobicContact CD1-CG2 4.27Å; I221-N264 VanDerWaalsContact O-CA 3.31Å; I221-N264 WeakPolarHBondContact O-CA 3.45Å; I221-N264 PolarHBondContact O-N 3.19Å; I221-N264 VanDerWaalsContact O-N 3.11Å |
| 222 | N | 98.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 156.5 | 171.6 | -70.7 | -72.2 | 0 | 0 | 0 | 109.4 | V136 V137 N138 V220 L252 P262 N264 Q265 | V136-N222 PolarHBondContact O-N 3.46Å; V137-N222 WeakPolarHBondContact CA-O 3.19Å; N138-N222 PolarHBondContact N-O 3.43Å; V220-N222 VanDerWaalsContact CG1-ND2 3.35Å; V220-N222 WeakPolarHBondContact CG1-ND2 3.25Å; N222-L252 HydrophobicContact CB-CD1 3.97Å; N222-L252 HydrophobicContact CB-CD2 4.13Å; N222-P262 PolarHBondContact ND2-O 3.17Å; N222-N264 PolarHBondContact OD1-N 3.44Å; N222-Q265 PolarHBondContact OD1-N 3.01Å |
| 223 | S | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 153.3 | 163.9 | 60 | 0 | 0 | 0 | 0 | 110.2 | N138 Q265 F266 V267 | N138-S223 CarbonylContact O-C 3.53Å; N138-S223 VanDerWaalsContact O-CA 3.23Å; N138-S223 WeakPolarHBondContact O-CA 3.4Å; S223-Q265 PolarHBondContact N-O 2.95Å; S223-F266 CarbonylContact O-C 3.56Å; S223-F266 WeakPolarHBondContact O-CA 3.31Å; S223-F266 WeakPolarHBondContact OG-CD2 3.34Å; S223-V267 PolarHBondContact O-N 2.74Å |
| 224 | C | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 163.5 | 177.4 | 64.5 | 0 | 0 | 0 | 0 | 114.4 | N138 S140 T248 L252 V267 | N138-C224 PolarHBondContact O-N 3Å; S140-C224 CarbonylContact C-O 3.59Å; S140-C224 VanDerWaalsContact CA-O 3.32Å; S140-C224 WeakPolarHBondContact CA-O 3.35Å; S140-C224 PolarHBondContact N-O 2.67Å; S140-C224 VanDerWaalsContact O-O 3.13Å; C224-T248 HydrophobicContact CB-CG2 3.62Å; C224-L252 HydrophobicContact CB-CD1 3.55Å; C224-V267 CarbonylContact C-O 3.46Å; C224-V267 WeakPolarHBondContact CA-O 3.43Å; C224-V267 HydrophobicContact CB-CB 4.28Å; C224-V267 WeakPolarHBondContact CB-O 3.37Å |
| 225 | C | 98.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.7 | 165.5 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | T142 G227 F266 V267 Y268 | T142-C225 HydrophobicContact CG2-CB 3.85Å; T142-C225 PolarHBondContact N-SG 3.29Å; C225-G227 PolarHBondContact O-N 3.29Å; C225-G227 PolarHBondContact SG-N 3.04Å; C225-F266 HydrophobicContact CB-CE2 4.34Å; C225-F266 HydrophobicContact CB-CZ 3.87Å; C225-V267 PolarHBondContact N-O 3.02Å; C225-Y268 HydrophobicContact CB-CD2 3.88Å; C225-Y268 HydrophobicContact CB-CG 4.36Å |
| 226 | P | 98.2 | Very high | 96 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 10% | 0.097 | 22% | 0.223 | C | C | . | . | trans | -77.2 | -9.4 | 173.3 | 30.6 | -34 | 0 | 0 | 0 | 113.6 | I13 M139 V229 K240 G245 | I13-P226 HydrophobicContact CD1-CB 3.74Å; I13-P226 HydrophobicContact CD1-CG 3.62Å; M139-P226 HydrophobicContact CE-CB 3.81Å; M139-P226 HydrophobicContact CE-CG 3.78Å; P226-V229 HydrophobicContact CB-CG2 3.95Å; P226-V229 HydrophobicContact CG-CG2 4.36Å; P226-K240 PolarHBondContact O-NZ 2.95Å; P226-G245 VanDerWaalsContact CB-O 3.22Å; P226-G245 WeakPolarHBondContact CB-O 3.39Å | ||
| 227 | G | 97.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | trans | 85.8 | -169.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C225 V229 | C225-G227 PolarHBondContact O-N 3.29Å; C225-G227 PolarHBondContact SG-N 3.04Å; G227-V229 PolarHBondContact O-N 2.85Å | ||
| 228 | F | 96.4 | Very high | 95.7 | Very high | 109 Ų | 109 | 39 Ų | 39 | 48% | 0.478 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -90.6 | 95.8 | 179.8 | -172.3 | -137.5 | 0 | 0 | 0 | 110 | T234 K237 G238 V239 K240 | F228-T234 HydrophobicContact CD2-CG2 3.85Å; F228-T234 HydrophobicContact CE2-CG2 3.56Å; F228-K237 HydrophobicContact CE1-CB 4.39Å; F228-K237 WeakPolarHBondContact CE1-O 3.36Å; F228-K237 HydrophobicContact CZ-CB 3.98Å; F228-K237 WeakPolarHBondContact CZ-O 3.29Å; F228-G238 CarbonylContact O-C 3.42Å; F228-G238 WeakPolarHBondContact O-CA 3.34Å; F228-V239 HydrophobicContact CB-CG2 4.44Å; F228-V239 HydrophobicContact CD1-CG1 4.42Å; F228-V239 PolarHBondContact O-N 3.34Å; F228-K240 PolarHBondContact O-N 2.97Å |
| 229 | V | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -101.4 | 136.2 | -168.1 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | I13 P226 G227 T231 T234 K240 T241 T242 | I13-V229 HydrophobicContact CD1-CB 4.02Å; I13-V229 HydrophobicContact CD1-CG1 4.3Å; I13-V229 HydrophobicContact CD1-CG2 3.8Å; I13-V229 HydrophobicContact CG1-CB 4.18Å; I13-V229 HydrophobicContact CG1-CG1 3.89Å; I13-V229 HydrophobicContact CG1-CG2 4.15Å; P226-V229 HydrophobicContact CB-CG2 3.95Å; P226-V229 HydrophobicContact CG-CG2 4.36Å; G227-V229 PolarHBondContact O-N 2.85Å; V229-T231 HydrophobicContact CB-CG2 4.35Å; V229-T231 HydrophobicContact CG1-CG2 3.93Å; V229-T231 PolarHBondContact O-N 3.44Å; V229-T231 VanDerWaalsContact O-N 3.1Å; V229-T234 WeakPolarHBondContact O-CB 3.46Å; V229-T234 WeakPolarHBondContact O-CG2 3.37Å; V229-T234 PolarHBondContact O-OG1 2.69Å; V229-K240 CarbonylContact C-O 3.6Å; V229-K240 WeakPolarHBondContact CA-O 3.19Å; V229-K240 HydrophobicContact CG2-CB 4.28Å; V229-T241 WeakPolarHBondContact CG1-O 3.2Å; V229-T242 HydrophobicContact CG1-CG2 4.21Å |
| 230 | D | 96 | Very high | 95.9 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 35% | 0.348 | 23% | 0.232 | S | C | . | . | trans | -64 | 103 | 172.4 | -179.4 | -2 | 0 | 0 | 0 | 109.8 | H236 K240 T242 | D230-H236 WeakPolarHBondContact OD1-CA 3.4Å; D230-H236 VanDerWaalsContact OD1-CB 3.24Å; D230-H236 WeakPolarHBondContact OD1-CB 3.46Å; D230-H236 IonicContact OD1-CE1 2.64Å; D230-H236 IonicContact OD1-CG 2.82Å; D230-H236 IonicContact OD1-ND1 3.02Å; D230-H236 PolarHBondContact OD1-ND1 3.16Å; D230-K240 WeakPolarHBondContact CB-O 3.39Å; D230-K240 PolarHBondContact N-O 2.86Å; D230-T242 WeakPolarHBondContact O-CG2 3.49Å | ||
| 231 | T | 95.1 | Very high | 95.9 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 10% | 0.104 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -152.3 | 168.7 | 178.7 | 61.1 | 0 | 0 | 0 | 0 | 109.5 | I13 V229 M233 T234 D235 H236 T242 | I13-T231 HydrophobicContact CG1-CG2 4.31Å; V229-T231 HydrophobicContact CB-CG2 4.35Å; V229-T231 HydrophobicContact CG1-CG2 3.93Å; V229-T231 PolarHBondContact O-N 3.44Å; V229-T231 VanDerWaalsContact O-N 3.1Å; T231-M233 PolarHBondContact O-N 3.2Å; T231-M233 VanDerWaalsContact O-N 3.1Å; T231-M233 PolarHBondContact OG1-N 3.38Å; T231-T234 PolarHBondContact N-OG1 3.47Å; T231-T234 VanDerWaalsContact N-OG1 3.15Å; T231-T234 PolarHBondContact O-N 3.41Å; T231-T234 PolarHBondContact O-OG1 3.21Å; T231-T234 VanDerWaalsContact O-OG1 3.05Å; T231-D235 PolarHBondContact O-N 2.82Å; T231-H236 PolarHBondContact O-N 3.19Å; T231-H236 VanDerWaalsContact O-N 3.09Å; T231-T242 HydrophobicContact CG2-CG2 3.96Å |
| 232 | D | 92.2 | Very high | 95.9 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -53 | -31.9 | 169.8 | -51.6 | 8 | 0 | 0 | 0 | 112.8 | K11 T234 D235 H236 | K11-D232 WeakPolarHBondContact CE-OD2 3.42Å; K11-D232 IonicContact NZ-OD2 3.32Å; K11-D232 PolarHBondContact NZ-OD2 2.96Å; D232-T234 VanDerWaalsContact C-N 3.25Å; D232-T234 PolarHBondContact O-N 2.97Å; D232-D235 PolarHBondContact O-N 3.46Å; D232-H236 IonicContact OD1-CE1 3.43Å; D232-H236 IonicContact OD1-NE2 3.69Å |
| 233 | M | 90.8 | Very high | 95.8 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 40% | 0.404 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -66 | -29.4 | 179.7 | -175.2 | 178.8 | -71.8 | 0 | 0 | 112.2 | G93 A95 Y194 T231 | G93-M233 WeakPolarHBondContact O-CE 3.4Å; A95-M233 HydrophobicContact CB-CG 3.66Å; A95-M233 HydrophobicContact CB-SD 4.05Å; Y194-M233 HydrophobicContact CE2-SD 4.39Å; T231-M233 PolarHBondContact O-N 3.2Å; T231-M233 VanDerWaalsContact O-N 3.1Å; T231-M233 PolarHBondContact OG1-N 3.38Å |
| 234 | T | 91.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 17% | 0.172 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -104 | 12.5 | -177.2 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | F228 V229 T231 D232 H236 K237 | F228-T234 HydrophobicContact CD2-CG2 3.85Å; F228-T234 HydrophobicContact CE2-CG2 3.56Å; V229-T234 WeakPolarHBondContact O-CB 3.46Å; V229-T234 WeakPolarHBondContact O-CG2 3.37Å; V229-T234 PolarHBondContact O-OG1 2.69Å; T231-T234 PolarHBondContact N-OG1 3.47Å; T231-T234 VanDerWaalsContact N-OG1 3.15Å; T231-T234 PolarHBondContact O-N 3.41Å; T231-T234 PolarHBondContact O-OG1 3.21Å; T231-T234 VanDerWaalsContact O-OG1 3.05Å; D232-T234 VanDerWaalsContact C-N 3.25Å; D232-T234 PolarHBondContact O-N 2.97Å; T234-H236 PolarHBondContact O-N 2.65Å; T234-K237 WeakPolarHBondContact O-CB 3.28Å; T234-K237 PolarHBondContact O-N 3.44Å |
| 235 | D | 92.2 | Very high | 95.8 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 36 | -171.4 | -73.1 | -39.5 | 0 | 0 | 0 | 112.5 | K97 T231 D232 K237 | K97-D235 VanDerWaalsContact CD-OD1 3.32Å; K97-D235 WeakPolarHBondContact CD-OD1 3.42Å; K97-D235 WeakPolarHBondContact CD-OD2 3.44Å; K97-D235 WeakPolarHBondContact CE-OD1 3.46Å; K97-D235 IonicContact NZ-OD1 3.83Å; K97-D235 PolarHBondContact NZ-OD1 2.93Å; T231-D235 PolarHBondContact O-N 2.82Å; D232-D235 PolarHBondContact O-N 3.46Å; D235-K237 HydrophobicContact CB-CG 4.48Å; D235-K237 PolarHBondContact O-N 2.99Å |
| 236 | H | 93.5 | Very high | 95.8 | Very high | 116 Ų | 116 | 55 Ų | 55 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 27 | -175.8 | -59.5 | -75.8 | 0 | 0 | 0 | 115 | D230 T231 D232 T234 | D230-H236 WeakPolarHBondContact OD1-CA 3.4Å; D230-H236 VanDerWaalsContact OD1-CB 3.24Å; D230-H236 WeakPolarHBondContact OD1-CB 3.46Å; D230-H236 IonicContact OD1-CE1 2.64Å; D230-H236 IonicContact OD1-CG 2.82Å; D230-H236 IonicContact OD1-ND1 3.02Å; D230-H236 PolarHBondContact OD1-ND1 3.16Å; T231-H236 PolarHBondContact O-N 3.19Å; T231-H236 VanDerWaalsContact O-N 3.09Å; D232-H236 IonicContact OD1-CE1 3.43Å; D232-H236 IonicContact OD1-NE2 3.69Å; T234-H236 PolarHBondContact O-N 2.65Å |
| 237 | K | 93.6 | Very high | 95.8 | Very high | 148 Ų | 148 | 56.4 Ų | 56.4 | 64% | 0.643 | 30% | 0.303 | S | S | * | . | trans | -95.9 | -0.4 | 178 | -60.8 | 179.8 | -178.7 | 175.2 | 0 | 113.7 | F228 T234 D235 | F228-K237 HydrophobicContact CE1-CB 4.39Å; F228-K237 WeakPolarHBondContact CE1-O 3.36Å; F228-K237 HydrophobicContact CZ-CB 3.98Å; F228-K237 WeakPolarHBondContact CZ-O 3.29Å; T234-K237 WeakPolarHBondContact O-CB 3.28Å; T234-K237 PolarHBondContact O-N 3.44Å; D235-K237 HydrophobicContact CB-CG 4.48Å; D235-K237 PolarHBondContact O-N 2.99Å | ||
| 238 | G | 94.1 | Very high | 95.9 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | trans | -65.7 | 146.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F228 | F228-G238 CarbonylContact O-C 3.42Å; F228-G238 WeakPolarHBondContact O-CA 3.34Å | ||
| 239 | V | 97 | Very high | 96 | Very high | 125 Ų | 125 | 50.7 Ų | 50.7 | 76% | 0.758 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -87.2 | -12.4 | 179 | -61 | 0 | 0 | 0 | 0 | 113 | F228 | F228-V239 HydrophobicContact CB-CG2 4.44Å; F228-V239 HydrophobicContact CD1-CG1 4.42Å; F228-V239 PolarHBondContact O-N 3.34Å |
| 240 | K | 97.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 52 Ų | 52 | 13% | 0.13 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -107 | 142.6 | 177.7 | -70.2 | -171.7 | 170.8 | -160.4 | 0 | 111.3 | P226 F228 V229 D230 E244 E269 | P226-K240 PolarHBondContact O-NZ 2.95Å; F228-K240 PolarHBondContact O-N 2.97Å; V229-K240 CarbonylContact C-O 3.6Å; V229-K240 WeakPolarHBondContact CA-O 3.19Å; V229-K240 HydrophobicContact CG2-CB 4.28Å; D230-K240 WeakPolarHBondContact CB-O 3.39Å; D230-K240 PolarHBondContact N-O 2.86Å; K240-E244 WeakPolarHBondContact CA-OE2 3.38Å; K240-E244 HydrophobicContact CB-CB 4.05Å; K240-E244 HydrophobicContact CD-CB 4.23Å; K240-E244 HydrophobicContact CG-CB 4.28Å; K240-E269 WeakPolarHBondContact CE-OE1 3.4Å; K240-E269 IonicContact NZ-OE1 2.7Å; K240-E269 PolarHBondContact NZ-OE1 2.64Å; K240-E269 IonicContact NZ-OE2 3.42Å; K240-E269 PolarHBondContact NZ-OE2 2.67Å |
| 241 | T | 98.1 | Very high | 96.2 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | trans | -65.2 | 161 | 162.8 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | V229 G243 E244 G245 | V229-T241 WeakPolarHBondContact CG1-O 3.2Å; T241-G243 PolarHBondContact O-N 3.46Å; T241-E244 WeakPolarHBondContact CB-OE2 3.33Å; T241-E244 PolarHBondContact N-OE2 3.41Å; T241-E244 PolarHBondContact O-N 3.35Å; T241-E244 WeakPolarHBondContact OG1-CG 3.36Å; T241-E244 PolarHBondContact OG1-N 3.19Å; T241-E244 PolarHBondContact OG1-OE2 3.29Å; T241-G245 PolarHBondContact O-N 3.25Å | ||
| 242 | T | 97.8 | Very high | 96.4 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -31.4 | 174.2 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | S16 V229 D230 T231 G245 A246 | S16-T242 WeakPolarHBondContact CB-O 3.47Å; S16-T242 VanDerWaalsContact OG-CB 3.28Å; S16-T242 WeakPolarHBondContact OG-CB 3.44Å; S16-T242 PolarHBondContact OG-OG1 3.23Å; V229-T242 HydrophobicContact CG1-CG2 4.21Å; D230-T242 WeakPolarHBondContact O-CG2 3.49Å; T231-T242 HydrophobicContact CG2-CG2 3.96Å; T242-G245 PolarHBondContact O-N 3.07Å; T242-A246 WeakPolarHBondContact O-CB 3.26Å; T242-A246 PolarHBondContact O-N 3.17Å |
| 243 | G | 97.7 | Very high | 96.7 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K20 T241 | K20-G243 WeakPolarHBondContact CE-O 3.34Å; T241-G243 PolarHBondContact O-N 3.46Å |
| 244 | E | 98.4 | Very high | 97 | Very high | 99 Ų | 99 | 44.7 Ų | 44.7 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.1 | -37.7 | 173.4 | -69.7 | 163.9 | 132.2 | 0 | 0 | 111.5 | K240 T241 A246 D247 | K240-E244 WeakPolarHBondContact CA-OE2 3.38Å; K240-E244 HydrophobicContact CB-CB 4.05Å; K240-E244 HydrophobicContact CD-CB 4.23Å; K240-E244 HydrophobicContact CG-CB 4.28Å; T241-E244 WeakPolarHBondContact CB-OE2 3.33Å; T241-E244 PolarHBondContact N-OE2 3.41Å; T241-E244 PolarHBondContact O-N 3.35Å; T241-E244 WeakPolarHBondContact OG1-CG 3.36Å; T241-E244 PolarHBondContact OG1-N 3.19Å; T241-E244 PolarHBondContact OG1-OE2 3.29Å; E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 3.35Å; E244-D247 WeakPolarHBondContact O-CB 3.5Å; E244-D247 PolarHBondContact O-N 2.91Å |
| 245 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -33.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P226 T241 T242 D247 P249 | P226-G245 VanDerWaalsContact CB-O 3.22Å; P226-G245 WeakPolarHBondContact CB-O 3.39Å; T241-G245 PolarHBondContact O-N 3.25Å; T242-G245 PolarHBondContact O-N 3.07Å; G245-D247 PolarHBondContact O-N 3Å; G245-P249 WeakPolarHBondContact O-CD 3.49Å |
| 246 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -8.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I13 I17 K20 T242 E244 P249 F250 | I13-A246 HydrophobicContact CG2-CB 4.39Å; I17-A246 HydrophobicContact CG1-CB 3.68Å; K20-A246 HydrophobicContact CD-CB 3.96Å; T242-A246 WeakPolarHBondContact O-CB 3.26Å; T242-A246 PolarHBondContact O-N 3.17Å; E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 3.35Å; A246-P249 WeakPolarHBondContact O-CD 3.3Å; A246-P249 WeakPolarHBondContact O-CG 3.36Å; A246-F250 WeakPolarHBondContact O-CB 3.44Å; A246-F250 PolarHBondContact O-N 3.18Å |
| 247 | D | 98.7 | Very high | 97.2 | Very high | 44 Ų | 44 | 46.2 Ų | 46.2 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -52.8 | -171.9 | -178.6 | 73.5 | 0 | 0 | 0 | 114 | E244 G245 Y251 R270 | E244-D247 WeakPolarHBondContact O-CB 3.5Å; E244-D247 PolarHBondContact O-N 2.91Å; G245-D247 PolarHBondContact O-N 3Å; D247-Y251 WeakPolarHBondContact O-CB 3.1Å; D247-Y251 PolarHBondContact O-N 3.15Å; D247-R270 VanDerWaalsContact CG-NH2 3.34Å; D247-R270 IonicContact OD1-CZ 3.45Å; D247-R270 IonicContact OD1-NE 2.73Å; D247-R270 IonicContact OD1-NH2 2.65Å; D247-R270 PolarHBondContact OD1-NH2 2.87Å; D247-R270 IonicContact OD2-CZ 3.52Å; D247-R270 IonicContact OD2-NE 2.86Å; D247-R270 PolarHBondContact OD2-NE 2.94Å; D247-R270 IonicContact OD2-NH2 3.4Å; D247-R270 PolarHBondContact OD2-NH2 2.61Å |
| 248 | T | 98.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.5 | -47.9 | 179.1 | -67.1 | 0 | 0 | 0 | 0 | 113 | C224 F250 Y251 L252 V267 E269 R270 | C224-T248 HydrophobicContact CB-CG2 3.62Å; T248-F250 VanDerWaalsContact C-N 3.33Å; T248-F250 PolarHBondContact O-N 3.39Å; T248-Y251 WeakPolarHBondContact O-CB 3.47Å; T248-Y251 PolarHBondContact O-N 3.29Å; T248-L252 HydrophobicContact CG2-CD1 4.23Å; T248-L252 WeakPolarHBondContact O-CG 3.43Å; T248-L252 PolarHBondContact O-N 3.26Å; T248-V267 HydrophobicContact CG2-CB 4.33Å; T248-V267 HydrophobicContact CG2-CG1 3.85Å; T248-E269 PolarHBondContact OG1-N 3.35Å; T248-R270 PolarHBondContact OG1-N 3.03Å; T248-R270 VanDerWaalsContact OG1-N 3.12Å |
| 249 | P | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 177.4 | 22.3 | -32.4 | 0 | 0 | 0 | 112.9 | I17 V137 M139 G245 A246 L252 A253 | I17-P249 HydrophobicContact CD1-CB 3.78Å; I17-P249 HydrophobicContact CD1-CG 3.6Å; I17-P249 HydrophobicContact CG1-CB 4.41Å; I17-P249 HydrophobicContact CG1-CG 4Å; V137-P249 HydrophobicContact CG1-CB 3.96Å; M139-P249 HydrophobicContact CE-CB 4.31Å; M139-P249 HydrophobicContact CE-CG 3.95Å; M139-P249 HydrophobicContact SD-CB 3.54Å; M139-P249 VanDerWaalsContact SD-CB 3.54Å; M139-P249 HydrophobicContact SD-CG 3.85Å; G245-P249 WeakPolarHBondContact O-CD 3.49Å; A246-P249 WeakPolarHBondContact O-CD 3.3Å; A246-P249 WeakPolarHBondContact O-CG 3.36Å; P249-L252 PolarHBondContact O-N 3.29Å; P249-A253 VanDerWaalsContact O-CB 3.27Å; P249-A253 WeakPolarHBondContact O-CB 3.49Å; P249-A253 PolarHBondContact O-N 3.02Å |
| 250 | F | 98.8 | Very high | 96.2 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 172.8 | 174.3 | -102.2 | 0 | 0 | 0 | 111.9 | K20 L21 L24 A246 T248 L252 A253 T254 | K20-F250 HydrophobicContact CB-CB 4.49Å; K20-F250 HydrophobicContact CB-CD2 3.49Å; K20-F250 VanDerWaalsContact CB-CD2 3.49Å; K20-F250 HydrophobicContact CB-CE2 3.71Å; K20-F250 HydrophobicContact CB-CG 3.92Å; K20-F250 HydrophobicContact CB-CZ 4.3Å; K20-F250 HydrophobicContact CD-CB 3.9Å; K20-F250 HydrophobicContact CD-CD1 4.23Å; K20-F250 HydrophobicContact CD-CD2 4.36Å; K20-F250 HydrophobicContact CD-CG 3.91Å; K20-F250 WeakPolarHBondContact O-CE2 3.48Å; L21-F250 HydrophobicContact CD2-CD2 4.07Å; L21-F250 HydrophobicContact CD2-CE2 4.13Å; L21-F250 HydrophobicContact CG-CD2 4.33Å; L24-F250 HydrophobicContact CB-CE2 4.28Å; L24-F250 HydrophobicContact CB-CZ 4.14Å; L24-F250 HydrophobicContact CD2-CE2 4.08Å; L24-F250 HydrophobicContact CD2-CZ 3.83Å; L24-F250 HydrophobicContact CG-CZ 4.49Å; A246-F250 WeakPolarHBondContact O-CB 3.44Å; A246-F250 PolarHBondContact O-N 3.18Å; T248-F250 VanDerWaalsContact C-N 3.33Å; T248-F250 PolarHBondContact O-N 3.39Å; F250-L252 VanDerWaalsContact C-N 3.32Å; F250-L252 PolarHBondContact O-N 2.91Å; F250-A253 PolarHBondContact O-N 3.43Å; F250-T254 HydrophobicContact CD2-CG2 3.97Å; F250-T254 HydrophobicContact CE2-CG2 3.67Å; F250-T254 HydrophobicContact CZ-CG2 4.07Å; F250-T254 WeakPolarHBondContact O-CB 3.29Å; F250-T254 WeakPolarHBondContact O-CG2 3.48Å; F250-T254 PolarHBondContact O-N 3.02Å; F250-T254 PolarHBondContact O-OG1 2.98Å |
| 251 | Y | 98.6 | Very high | 96 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.8 | -44.6 | 174.5 | 161.8 | -106.9 | 0 | 0 | 0 | 112.3 | D247 T248 T254 L255 P262 R270 | D247-Y251 WeakPolarHBondContact O-CB 3.1Å; D247-Y251 PolarHBondContact O-N 3.15Å; T248-Y251 WeakPolarHBondContact O-CB 3.47Å; T248-Y251 PolarHBondContact O-N 3.29Å; Y251-T254 PolarHBondContact O-N 3.43Å; Y251-L255 HydrophobicContact CD2-CD2 4.32Å; Y251-L255 HydrophobicContact CE1-CD2 4.19Å; Y251-L255 HydrophobicContact CE2-CD2 3.73Å; Y251-L255 PolarHBondContact O-N 2.84Å; Y251-P262 HydrophobicContact CE1-CG 4.19Å; Y251-P262 WeakPolarHBondContact OH-CD 3.37Å; Y251-R270 HydrophobicContact CD1-CB 3.84Å; Y251-R270 HydrophobicContact CD1-CG 3.69Å; Y251-R270 HydrophobicContact CD2-CG 4.38Å; Y251-R270 HydrophobicContact CE1-CB 3.92Å; Y251-R270 HydrophobicContact CE1-CG 4.28Å; Y251-R270 HydrophobicContact CG-CB 4.28Å; Y251-R270 HydrophobicContact CG-CG 3.75Å |
| 252 | L | 98.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.6 | -39 | 179.2 | -65.7 | 174.2 | 0 | 0 | 0 | 112.8 | V137 N222 C224 T248 P249 F250 T254 L255 P262 V267 | V137-L252 HydrophobicContact CG1-CB 4.3Å; V137-L252 HydrophobicContact CG1-CD1 4.13Å; V137-L252 HydrophobicContact CG2-CB 3.63Å; N222-L252 HydrophobicContact CB-CD1 3.97Å; N222-L252 HydrophobicContact CB-CD2 4.13Å; C224-L252 HydrophobicContact CB-CD1 3.55Å; T248-L252 HydrophobicContact CG2-CD1 4.23Å; T248-L252 WeakPolarHBondContact O-CG 3.43Å; T248-L252 PolarHBondContact O-N 3.26Å; P249-L252 PolarHBondContact O-N 3.29Å; F250-L252 VanDerWaalsContact C-N 3.32Å; F250-L252 PolarHBondContact O-N 2.91Å; L252-T254 PolarHBondContact O-N 3.28Å; L252-L255 HydrophobicContact CD2-CD1 4.37Å; L252-P262 HydrophobicContact CD2-CB 4.5Å; L252-P262 HydrophobicContact CD2-CG 3.31Å; L252-V267 HydrophobicContact CD1-CB 4.12Å; L252-V267 HydrophobicContact CD1-CG2 4.37Å; L252-V267 HydrophobicContact CD2-CB 4.39Å; L252-V267 HydrophobicContact CD2-CG1 4.36Å; L252-V267 HydrophobicContact CD2-CG2 4.05Å |
| 253 | A | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -25.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I87 V89 V137 P249 F250 | I87-A253 VanDerWaalsContact CD1-O 3.24Å; I87-A253 WeakPolarHBondContact CD1-O 3.34Å; I87-A253 WeakPolarHBondContact CG1-O 3.42Å; I87-A253 HydrophobicContact CG2-CB 3.76Å; V89-A253 HydrophobicContact CG2-CB 4.18Å; V137-A253 HydrophobicContact CG2-CB 4.09Å; P249-A253 VanDerWaalsContact O-CB 3.27Å; P249-A253 WeakPolarHBondContact O-CB 3.49Å; P249-A253 PolarHBondContact O-N 3.02Å; F250-A253 PolarHBondContact O-N 3.43Å |
| 254 | T | 98 | Very high | 95.8 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 19% | 0.19 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 18.6 | -172.1 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | L21 L24 Y25 F250 Y251 L252 | L21-T254 HydrophobicContact CD2-CG2 3.89Å; L24-T254 HydrophobicContact CD2-CG2 3.63Å; Y25-T254 HydrophobicContact CE2-CG2 4.34Å; F250-T254 HydrophobicContact CD2-CG2 3.97Å; F250-T254 HydrophobicContact CE2-CG2 3.67Å; F250-T254 HydrophobicContact CZ-CG2 4.07Å; F250-T254 WeakPolarHBondContact O-CB 3.29Å; F250-T254 WeakPolarHBondContact O-CG2 3.48Å; F250-T254 PolarHBondContact O-N 3.02Å; F250-T254 PolarHBondContact O-OG1 2.98Å; Y251-T254 PolarHBondContact O-N 3.43Å; L252-T254 PolarHBondContact O-N 3.28Å |
| 255 | L | 96.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -51.4 | 128.4 | 175.2 | -74 | 172.3 | 0 | 0 | 0 | 110.5 | Y251 L252 P262 | Y251-L255 HydrophobicContact CD2-CD2 4.32Å; Y251-L255 HydrophobicContact CE1-CD2 4.19Å; Y251-L255 HydrophobicContact CE2-CD2 3.73Å; Y251-L255 PolarHBondContact O-N 2.84Å; L252-L255 HydrophobicContact CD2-CD1 4.37Å; L255-P262 HydrophobicContact CD1-CG 4.18Å |
| 256 | P | 93.2 | Very high | 95.8 | Very high | 90 Ų | 90 | 46.6 Ų | 46.6 | 58% | 0.584 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -50.4 | 148.5 | 178.6 | -28.4 | 33.9 | 0 | 0 | 0 | 112.6 | R135 G258 S259 | R135-P256 PolarHBondContact NH2-O 3.49Å; P256-G258 PolarHBondContact O-N 3.12Å; P256-S259 WeakPolarHBondContact CD-OG 3.44Å; P256-S259 WeakPolarHBondContact O-CB 3.28Å; P256-S259 PolarHBondContact O-N 3.29Å; P256-S259 PolarHBondContact O-OG 3.34Å |
| 257 | L | 90.1 | Very high | 95.8 | Very high | 132 Ų | 132 | 46.6 Ų | 46.6 | 69% | 0.691 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 139.9 | 172.6 | -63.4 | 179.7 | 0 | 0 | 0 | 109.8 | N133 S259 | N133-L257 HydrophobicContact CB-CD2 3.43Å; N133-L257 VanDerWaalsContact CB-CD2 3.43Å; L257-S259 PolarHBondContact O-N 3.41Å |
| 258 | G | 85.9 | Confident | 95.8 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 55% | 0.546 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -0.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P256 K260 | P256-G258 PolarHBondContact O-N 3.12Å; G258-K260 PolarHBondContact O-N 2.78Å |
| 259 | S | 89.7 | Confident | 95.8 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | trans | -52.1 | 125.5 | 175.3 | -69.1 | 0 | 0 | 0 | 0 | 111.4 | P256 L257 | P256-S259 WeakPolarHBondContact CD-OG 3.44Å; P256-S259 WeakPolarHBondContact O-CB 3.28Å; P256-S259 PolarHBondContact O-N 3.29Å; P256-S259 PolarHBondContact O-OG 3.34Å; L257-S259 PolarHBondContact O-N 3.41Å | ||
| 260 | K | 88.9 | Confident | 95.7 | Very high | 175 Ų | 175 | 56.4 Ų | 56.4 | 76% | 0.761 | 28% | 0.283 | S | S | * | . | trans | -88.4 | -14.9 | 178.3 | -60 | -59.5 | -176.5 | -178.5 | 0 | 113.4 | G258 I263 | G258-K260 PolarHBondContact O-N 2.78Å; K260-I263 WeakPolarHBondContact O-CD1 3.38Å | ||
| 261 | K | 93.4 | Very high | 95.7 | Very high | 148 Ų | 148 | 64 Ų | 64 | 64% | 0.643 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -150.5 | 149.4 | 179.1 | -63.4 | -175.5 | -178.4 | 177.3 | 0 | 110.9 | M272 | K261-M272 HydrophobicContact CD-CE 4.18Š|
| 262 | P | 96.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.032 | 32% | 0.321 | C | S | . | . | S | Bend | cis | -75.1 | 139.1 | -12.1 | 31 | -34.2 | 0 | 0 | 0 | 111.7 | N222 Y251 L252 L255 Q265 V267 M272 | N222-P262 PolarHBondContact ND2-O 3.17Å; Y251-P262 HydrophobicContact CE1-CG 4.19Å; Y251-P262 WeakPolarHBondContact OH-CD 3.37Å; L252-P262 HydrophobicContact CD2-CB 4.5Å; L252-P262 HydrophobicContact CD2-CG 3.31Å; L255-P262 HydrophobicContact CD1-CG 4.18Å; P262-Q265 HydrophobicContact CB-CB 4.02Å; P262-Q265 HydrophobicContact CB-CG 3.86Å; P262-V267 HydrophobicContact CB-CG2 3.97Å; P262-V267 HydrophobicContact CG-CG2 4.05Å; P262-M272 HydrophobicContact CB-CG 4Å; P262-M272 HydrophobicContact CB-SD 4.26Å |
| 263 | I | 96.3 | Very high | 95.5 | Very high | 71 Ų | 71 | 67.5 Ų | 67.5 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -128.6 | 127.1 | 171.6 | -59.4 | 176.6 | 0 | 0 | 0 | 107.5 | V220 K260 Q265 | V220-I263 HydrophobicContact CG1-CB 4.47Å; V220-I263 HydrophobicContact CG1-CG1 4.2Å; V220-I263 HydrophobicContact CG1-CG2 4.45Å; V220-I263 HydrophobicContact CG2-CD1 4.39Å; V220-I263 HydrophobicContact CG2-CG1 4.07Å; V220-I263 HydrophobicContact CG2-CG2 4.48Å; K260-I263 WeakPolarHBondContact O-CD1 3.38Å; I263-Q265 WeakPolarHBondContact O-CG 3.28Å; I263-Q265 PolarHBondContact O-N 3.32Å; I263-Q265 PolarHBondContact O-NE2 3.2Å |
| 264 | N | 97.3 | Very high | 95.3 | Very high | 27 Ų | 27 | 75.3 Ų | 75.3 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | S | Bend | trans | 55.4 | 50.3 | 179.9 | -163.5 | 17.6 | 0 | 0 | 0 | 113 | S205 F206 E210 I221 N222 | S205-N264 PolarHBondContact O-OD1 3.27Å; F206-N264 WeakPolarHBondContact CA-OD1 3.3Å; F206-N264 WeakPolarHBondContact CD1-O 3.48Å; F206-N264 WeakPolarHBondContact CD1-OD1 3.36Å; F206-N264 WeakPolarHBondContact CE1-O 3.49Å; F206-N264 PolarHBondContact O-ND2 3.46Å; F206-N264 PolarHBondContact O-OD1 2.9Å; E210-N264 PolarHBondContact N-ND2 2.85Å; I221-N264 VanDerWaalsContact O-CA 3.31Å; I221-N264 WeakPolarHBondContact O-CA 3.45Å; I221-N264 PolarHBondContact O-N 3.19Å; I221-N264 VanDerWaalsContact O-N 3.11Å; N222-N264 PolarHBondContact OD1-N 3.44Å |
| 265 | Q | 98 | Very high | 95.2 | Very high | 64 Ų | 64 | 75.2 Ų | 75.2 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | trans | -123.3 | 159.9 | -176.7 | -57.3 | -59.1 | -47.7 | 0 | 0 | 112.6 | N222 S223 P262 I263 V267 M272 | N222-Q265 PolarHBondContact OD1-N 3.01Å; S223-Q265 PolarHBondContact N-O 2.95Å; P262-Q265 HydrophobicContact CB-CB 4.02Å; P262-Q265 HydrophobicContact CB-CG 3.86Å; I263-Q265 WeakPolarHBondContact O-CG 3.28Å; I263-Q265 PolarHBondContact O-N 3.32Å; I263-Q265 PolarHBondContact O-NE2 3.2Å; Q265-V267 HydrophobicContact CB-CG2 3.91Å; Q265-M272 HydrophobicContact CB-CG 4.14Å; Q265-M272 HydrophobicContact CG-CG 3.88Å; Q265-M272 HydrophobicContact CG-SD 3.82Å | ||
| 266 | F | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.8 | 157.7 | 178.4 | -106 | 0 | 0 | 0 | 109.1 | T142 L145 T202 F206 S223 C225 V273 | T142-F266 HydrophobicContact CG2-CE1 4.45Å; T142-F266 HydrophobicContact CG2-CZ 4.34Å; L145-F266 HydrophobicContact CD1-CD1 3.77Å; L145-F266 HydrophobicContact CD1-CE1 3.45Å; L145-F266 VanDerWaalsContact CD1-CE1 3.45Å; L145-F266 HydrophobicContact CD1-CZ 4.45Å; L145-F266 HydrophobicContact CG-CD1 4.25Å; L145-F266 HydrophobicContact CG-CE1 4.07Å; T202-F266 HydrophobicContact CG2-CB 4.22Å; T202-F266 HydrophobicContact CG2-CD2 4.17Å; T202-F266 HydrophobicContact CG2-CG 4.37Å; F206-F266 HydrophobicContact CZ-CB 4.18Å; S223-F266 CarbonylContact O-C 3.56Å; S223-F266 WeakPolarHBondContact O-CA 3.31Å; S223-F266 WeakPolarHBondContact OG-CD2 3.34Å; C225-F266 HydrophobicContact CB-CE2 4.34Å; C225-F266 HydrophobicContact CB-CZ 3.87Å; F266-V273 HydrophobicContact CD1-CB 3.87Å; F266-V273 HydrophobicContact CD1-CG1 4.35Å; F266-V273 HydrophobicContact CE1-CB 4.25Å; F266-V273 PolarHBondContact O-N 2.78Å |
| 267 | V | 98.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137 | -169.8 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | S223 C224 C225 T248 L252 P262 Q265 R271 | S223-V267 PolarHBondContact O-N 2.74Å; C224-V267 CarbonylContact C-O 3.46Å; C224-V267 WeakPolarHBondContact CA-O 3.43Å; C224-V267 HydrophobicContact CB-CB 4.28Å; C224-V267 WeakPolarHBondContact CB-O 3.37Å; C225-V267 PolarHBondContact N-O 3.02Å; T248-V267 HydrophobicContact CG2-CB 4.33Å; T248-V267 HydrophobicContact CG2-CG1 3.85Å; L252-V267 HydrophobicContact CD1-CB 4.12Å; L252-V267 HydrophobicContact CD1-CG2 4.37Å; L252-V267 HydrophobicContact CD2-CB 4.39Å; L252-V267 HydrophobicContact CD2-CG1 4.36Å; L252-V267 HydrophobicContact CD2-CG2 4.05Å; P262-V267 HydrophobicContact CB-CG2 3.97Å; P262-V267 HydrophobicContact CG-CG2 4.05Å; Q265-V267 HydrophobicContact CB-CG2 3.91Å; V267-R271 CarbonylContact C-O 3.24Å; V267-R271 VanDerWaalsContact CA-O 3.31Å; V267-R271 WeakPolarHBondContact CA-O 3.35Å; V267-R271 WeakPolarHBondContact CG1-O 3.46Å |
| 268 | Y | 98.3 | Very high | 94.7 | Very high | 75 Ų | 75 | 74.5 Ų | 74.5 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 133.2 | 175.8 | 175.7 | -128.6 | 0 | 0 | 0 | 109.5 | T142 C225 R270 R271 | T142-Y268 HydrophobicContact CG2-CD1 3.9Å; T142-Y268 HydrophobicContact CG2-CD2 4.28Å; T142-Y268 HydrophobicContact CG2-CE1 4.3Å; T142-Y268 HydrophobicContact CG2-CG 3.9Å; C225-Y268 HydrophobicContact CB-CD2 3.88Å; C225-Y268 HydrophobicContact CB-CG 4.36Å; Y268-R270 PolarHBondContact O-N 3.06Å; Y268-R271 PolarHBondContact N-O 2.9Å; Y268-R271 WeakPolarHBondContact O-CA 3.45Å; Y268-R271 WeakPolarHBondContact O-CB 3.35Å; Y268-R271 PolarHBondContact O-N 3.21Å |
| 269 | E | 97.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 75.6 Ų | 75.6 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42 | -172.5 | -50.8 | -60.8 | 166.6 | 0 | 0 | 112.6 | K240 T248 R271 | K240-E269 WeakPolarHBondContact CE-OE1 3.4Å; K240-E269 IonicContact NZ-OE1 2.7Å; K240-E269 PolarHBondContact NZ-OE1 2.64Å; K240-E269 IonicContact NZ-OE2 3.42Å; K240-E269 PolarHBondContact NZ-OE2 2.67Å; T248-E269 PolarHBondContact OG1-N 3.35Å; E269-R271 PolarHBondContact O-N 2.94Å |
| 270 | R | 97.7 | Very high | 95.5 | Very high | 108 Ų | 108 | 78.2 Ų | 78.2 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 15.9 | -172.8 | -51.1 | -174.8 | 179.5 | -159.5 | -7.8 | 115.2 | D247 T248 Y251 Y268 | D247-R270 VanDerWaalsContact CG-NH2 3.34Å; D247-R270 IonicContact OD1-CZ 3.45Å; D247-R270 IonicContact OD1-NE 2.73Å; D247-R270 IonicContact OD1-NH2 2.65Å; D247-R270 PolarHBondContact OD1-NH2 2.87Å; D247-R270 IonicContact OD2-CZ 3.52Å; D247-R270 IonicContact OD2-NE 2.86Å; D247-R270 PolarHBondContact OD2-NE 2.94Å; D247-R270 IonicContact OD2-NH2 3.4Å; D247-R270 PolarHBondContact OD2-NH2 2.61Å; T248-R270 PolarHBondContact OG1-N 3.03Å; T248-R270 VanDerWaalsContact OG1-N 3.12Å; Y251-R270 HydrophobicContact CD1-CB 3.84Å; Y251-R270 HydrophobicContact CD1-CG 3.69Å; Y251-R270 HydrophobicContact CD2-CG 4.38Å; Y251-R270 HydrophobicContact CE1-CB 3.92Å; Y251-R270 HydrophobicContact CE1-CG 4.28Å; Y251-R270 HydrophobicContact CG-CB 4.28Å; Y251-R270 HydrophobicContact CG-CG 3.75Å; Y268-R270 PolarHBondContact O-N 3.06Å |
| 271 | R | 97.8 | Very high | 95.9 | Very high | 191 Ų | 191 | 72.5 Ų | 72.5 | 72% | 0.721 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.5 | 176.9 | -63.2 | 175.4 | -173.8 | -164.3 | 0.8 | 110.5 | V267 Y268 E269 V273 | V267-R271 CarbonylContact C-O 3.24Å; V267-R271 VanDerWaalsContact CA-O 3.31Å; V267-R271 WeakPolarHBondContact CA-O 3.35Å; V267-R271 WeakPolarHBondContact CG1-O 3.46Å; Y268-R271 PolarHBondContact N-O 2.9Å; Y268-R271 WeakPolarHBondContact O-CA 3.45Å; Y268-R271 WeakPolarHBondContact O-CB 3.35Å; Y268-R271 PolarHBondContact O-N 3.21Å; E269-R271 PolarHBondContact O-N 2.94Å; R271-V273 PolarHBondContact O-N 3.45Å |
| 272 | M | 97.1 | Very high | 96.1 | Very high | 93 Ų | 93 | 67.8 Ų | 67.8 | 46% | 0.458 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 128.7 | 172.2 | -62.5 | 172.3 | -70.2 | 0 | 0 | 108.8 | K261 P262 Q265 | K261-M272 HydrophobicContact CD-CE 4.18Å; P262-M272 HydrophobicContact CB-CG 4Å; P262-M272 HydrophobicContact CB-SD 4.26Å; Q265-M272 HydrophobicContact CB-CG 4.14Å; Q265-M272 HydrophobicContact CG-CG 3.88Å; Q265-M272 HydrophobicContact CG-SD 3.82Å |
| 273 | V | 96.8 | Very high | 96 | Very high | 44 Ų | 44 | 71.9 Ų | 71.9 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.9 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | L145 F266 R271 W275 | L145-V273 HydrophobicContact CD1-CB 4.32Å; L145-V273 HydrophobicContact CD1-CG1 3.39Å; F266-V273 HydrophobicContact CD1-CB 3.87Å; F266-V273 HydrophobicContact CD1-CG1 4.35Å; F266-V273 HydrophobicContact CE1-CB 4.25Å; F266-V273 PolarHBondContact O-N 2.78Å; R271-V273 PolarHBondContact O-N 3.45Å; V273-W275 PolarHBondContact O-N 3.3Å |
| 274 | K | 95.5 | Very high | 96 | Very high | 164 Ų | 164 | 72 Ų | 72 | 71% | 0.713 | 32% | 0.315 | S | S | * | . | trans | -61.5 | 129.9 | -176.4 | -170.1 | -177.4 | 179.7 | -166 | 0 | 110.8 | L145 S276 | L145-K274 WeakPolarHBondContact CD2-O 3.46Å; K274-S276 VanDerWaalsContact C-N 3.35Å; K274-S276 WeakPolarHBondContact CD-OG 3.39Å; K274-S276 WeakPolarHBondContact CE-OG 3.15Å; K274-S276 PolarHBondContact NZ-OG 3.35Å; K274-S276 PolarHBondContact O-N 3.22Å; K274-S276 VanDerWaalsContact O-N 3.15Å | ||
| 275 | W | 95.1 | Very high | 95.9 | Very high | 30 Ų | 30 | 75.5 Ų | 75.5 | 11% | 0.114 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -85.1 | 73.9 | 173.8 | -173.3 | -108.2 | 0 | 0 | 0 | 111.2 | S144 L145 L148 F159 M199 T202 F206 V273 | S144-W275 WeakPolarHBondContact OG-CZ3 3.47Å; L145-W275 HydrophobicContact CD2-CD2 4.28Å; L145-W275 HydrophobicContact CD2-CE3 3.3Å; L145-W275 HydrophobicContact CD2-CZ3 3.59Å; L145-W275 HydrophobicContact CG-CE3 4.05Å; L145-W275 HydrophobicContact CG-CZ3 3.91Å; L148-W275 HydrophobicContact CB-CH2 4.05Å; L148-W275 HydrophobicContact CB-CZ2 4.22Å; L148-W275 HydrophobicContact CD1-CH2 4.42Å; L148-W275 HydrophobicContact CD1-CZ2 3.74Å; L148-W275 HydrophobicContact CD2-CD2 3.8Å; L148-W275 HydrophobicContact CD2-CE3 4.14Å; L148-W275 HydrophobicContact CD2-CG 4.29Å; L148-W275 HydrophobicContact CD2-CH2 4.1Å; L148-W275 HydrophobicContact CD2-CZ2 3.81Å; L148-W275 HydrophobicContact CD2-CZ3 4.25Å; L148-W275 HydrophobicContact CG-CH2 4.42Å; L148-W275 HydrophobicContact CG-CZ2 4.13Å; F159-W275 PolarHBondContact O-NE1 2.66Å; M199-W275 HydrophobicContact CB-CH2 4.36Å; M199-W275 HydrophobicContact CG-CH2 3.82Å; M199-W275 HydrophobicContact CG-CZ2 3.95Å; T202-W275 HydrophobicContact CG2-CD2 3.93Å; T202-W275 HydrophobicContact CG2-CE3 3.51Å; T202-W275 HydrophobicContact CG2-CH2 3.85Å; T202-W275 HydrophobicContact CG2-CZ2 4.19Å; T202-W275 HydrophobicContact CG2-CZ3 3.49Å; T202-W275 VanDerWaalsContact CG2-CZ3 3.49Å; F206-W275 HydrophobicContact CD2-CG 4.16Å; F206-W275 HydrophobicContact CE2-CB 3.54Å; F206-W275 AromaticContact CE2-CD1 3.79Å; F206-W275 AromaticContact CE2-CD2 3.78Å; F206-W275 HydrophobicContact CE2-CD2 3.78Å; F206-W275 HydrophobicContact CE2-CE3 4.32Å; F206-W275 AromaticContact CE2-CG 3.39Å; F206-W275 HydrophobicContact CE2-CG 3.39Å; F206-W275 HydrophobicContact CZ-CB 3.63Å; F206-W275 HydrophobicContact CZ-CG 4.03Å; V273-W275 PolarHBondContact O-N 3.3Å |
| 276 | S | 92.6 | Very high | 95.7 | Very high | 20 Ų | 20 | 76.4 Ų | 76.4 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | trans | -161.2 | 172.3 | 173.5 | 72.7 | 0 | 0 | 0 | 0 | 111 | K274 | K274-S276 VanDerWaalsContact C-N 3.35Å; K274-S276 WeakPolarHBondContact CD-OG 3.39Å; K274-S276 WeakPolarHBondContact CE-OG 3.15Å; K274-S276 PolarHBondContact NZ-OG 3.35Å; K274-S276 PolarHBondContact O-N 3.22Å; K274-S276 VanDerWaalsContact O-N 3.15Å | ||
| 277 | K | 83.1 | Confident | 95.5 | Very high | 122 Ų | 122 | 83.4 Ų | 83.4 | 53% | 0.53 | 36% | 0.361 | S | S | . | . | trans | -57.5 | 0 | 160.5 | -83.8 | 166.9 | -176.7 | 177.5 | 0 | 110.6 | K149 Y156 | K149-K277 HydrophobicContact CB-CG 4.28Å; K149-K277 HydrophobicContact CG-CG 3.84Å; K149-K277 PolarHBondContact NZ-OXT 3.08Å; K149-K277 VanDerWaalsContact O-CE 3.24Å; K149-K277 WeakPolarHBondContact O-CE 3.49Å; Y156-K277 HydrophobicContact CD1-CD 4.41Å; Y156-K277 HydrophobicContact CD2-CD 3.88Å; Y156-K277 HydrophobicContact CD2-CG 4.13Å; Y156-K277 HydrophobicContact CE1-CD 4.2Å; Y156-K277 HydrophobicContact CE2-CB 4.04Å; Y156-K277 HydrophobicContact CE2-CD 3.63Å; Y156-K277 HydrophobicContact CE2-CG 3.48Å; Y156-K277 VanDerWaalsContact CE2-CG 3.48Å; Y156-K277 HydrophobicContact CG-CD 4.26Å; Y156-K277 PolarHBondContact OH-N 2.7Å |
Retrieved 277 of 277 residues in 344.6 ms
(Link to these results)