| 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 | 39.4 | Very low | 73.8 | Confident | 236 Ų | 236 | 90.8 Ų | 90.8 | 100% | 1.163 | 50% | 0.496 | S | S | * | . | 0 | 121.4 | 0 | -69.6 | 171.9 | -174.6 | 0 | 0 | 106.4 | T3 | M1-T3 PolarHBondContact O-N 3.1Å; M1-T3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | S | 33.5 | Very low | 75.9 | Confident | 119 Ų | 119 | 83.5 Ų | 83.5 | 83% | 0.832 | 46% | 0.456 | S | S | * | . | trans | -57.8 | 115.8 | 175.6 | 168.7 | 0 | 0 | 0 | 0 | 107.6 | S4 | S2-S4 PolarHBondContact O-N 3.05Š| ||
| 3 | T | 41 | Very low | 77.6 | Confident | 133 Ų | 133 | 77.5 Ų | 77.5 | 82% | 0.816 | 43% | 0.425 | S | S | * | . | trans | -65.3 | 86.7 | 169.1 | 41.6 | 0 | 0 | 0 | 0 | 106.8 | M1 E5 | M1-T3 PolarHBondContact O-N 3.1Å; M1-T3 VanDerWaalsContact O-N 3.1Å; T3-E5 PolarHBondContact O-N 2.86Å | ||
| 4 | S | 54.8 | Low | 79 | Confident | 99 Ų | 99 | 72.3 Ų | 72.3 | 69% | 0.692 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 117 | 163.9 | 64.2 | 0 | 0 | 0 | 0 | 105.9 | S2 L6 | S2-S4 PolarHBondContact O-N 3.05Å; S4-L6 PolarHBondContact O-N 3.11Å; S4-L6 VanDerWaalsContact O-N 3.11Å |
| 5 | E | 71.5 | Confident | 80.2 | Confident | 184 Ų | 184 | 69.9 Ų | 69.9 | 86% | 0.86 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 120.3 | 180 | -163.3 | 171.5 | -163 | 0 | 0 | 109 | T3 K7 | T3-E5 PolarHBondContact O-N 2.86Å; E5-K7 PolarHBondContact O-N 3.4Å |
| 6 | L | 81.8 | Confident | 81.1 | Confident | 88 Ų | 88 | 71.3 Ų | 71.3 | 46% | 0.461 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 126.4 | -178.6 | -79.9 | 165.9 | 0 | 0 | 0 | 108.2 | S4 Q31 L74 | S4-L6 PolarHBondContact O-N 3.11Å; S4-L6 VanDerWaalsContact O-N 3.11Å; L6-Q31 HydrophobicContact CB-CG 3.94Å; L6-Q31 HydrophobicContact CD1-CG 4.16Å; L6-Q31 VanDerWaalsContact CD1-NE2 3.32Å; L6-L74 HydrophobicContact CD1-CD2 4.28Å |
| 7 | K | 95.4 | Very high | 82 | Confident | 128 Ų | 128 | 69.6 Ų | 69.6 | 56% | 0.557 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 131.6 | 180 | -69.1 | -169 | 177.7 | -173.5 | 0 | 110.5 | E5 Y30 Q31 F89 | E5-K7 PolarHBondContact O-N 3.4Å; K7-Y30 HydrophobicContact CB-CD1 3.95Å; K7-Y30 HydrophobicContact CB-CE1 4.04Å; K7-Q31 PolarHBondContact O-N 3.28Å; K7-F89 HydrophobicContact CB-CD1 3.66Å; K7-F89 HydrophobicContact CB-CE1 3.54Å; K7-F89 HydrophobicContact CB-CZ 4.4Å; K7-F89 HydrophobicContact CD-CD1 4.28Å; K7-F89 HydrophobicContact CD-CE1 4.22Å; K7-F89 HydrophobicContact CD-CZ 4.39Å; K7-F89 HydrophobicContact CG-CD1 4.35Å; K7-F89 HydrophobicContact CG-CE1 4.45Å |
| 8 | T | 98.3 | Very high | 82.9 | Confident | 12 Ų | 12 | 65.8 Ų | 65.8 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.6 | -177 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | Q31 K33 A88 F89 | T8-Q31 CarbonylContact C-O 3.56Å; T8-Q31 WeakPolarHBondContact CA-O 3.31Å; T8-K33 HydrophobicContact CG2-CD 3.89Å; T8-K33 HydrophobicContact CG2-CG 3.86Å; T8-A88 WeakPolarHBondContact O-CA 3.34Å; T8-F89 WeakPolarHBondContact O-CD1 3.41Å; T8-F89 PolarHBondContact O-N 3.14Å |
| 9 | I | 98.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.5 | 174.2 | -59.3 | 178.6 | 0 | 0 | 0 | 108.5 | F25 Y30 Q31 V32 K33 F89 F90 L175 | I9-F25 HydrophobicContact CD1-CB 4.07Å; I9-F25 HydrophobicContact CD1-CD1 3.3Å; I9-F25 HydrophobicContact CD1-CD2 4.21Å; I9-F25 HydrophobicContact CD1-CE1 3.73Å; I9-F25 HydrophobicContact CD1-CG 3.61Å; I9-F25 HydrophobicContact CD1-CZ 4.33Å; I9-F25 HydrophobicContact CG2-CD2 3.8Å; I9-F25 HydrophobicContact CG2-CE2 3.83Å; I9-F25 HydrophobicContact CG2-CG 4.27Å; I9-F25 HydrophobicContact CG2-CZ 4.32Å; I9-Y30 HydrophobicContact CD1-CD1 3.8Å; I9-Y30 HydrophobicContact CD1-CD2 4.35Å; I9-Y30 HydrophobicContact CD1-CE1 4.38Å; I9-Y30 HydrophobicContact CD1-CG 3.77Å; I9-Y30 HydrophobicContact CG1-CD1 4.21Å; I9-Y30 HydrophobicContact CG1-CG 4.45Å; I9-Q31 PolarHBondContact N-O 3.48Å; I9-V32 WeakPolarHBondContact O-CA 3.38Å; I9-K33 PolarHBondContact O-N 2.98Å; I9-F89 HydrophobicContact CD1-CE1 4.09Å; I9-F89 HydrophobicContact CD1-CZ 4.1Å; I9-F89 HydrophobicContact CG1-CD1 4.38Å; I9-F89 HydrophobicContact CG1-CE1 3.49Å; I9-F89 VanDerWaalsContact CG1-CE1 3.49Å; I9-F89 HydrophobicContact CG1-CZ 3.94Å; I9-F90 WeakPolarHBondContact CA-O 3.38Å; I9-F90 HydrophobicContact CG1-CB 4.37Å; I9-F90 HydrophobicContact CG2-CD1 4.11Å; I9-L175 HydrophobicContact CD1-CD1 3.95Å; I9-L175 HydrophobicContact CD1-CD2 4.19Å |
| 10 | T | 98.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127 | 173.9 | -53 | 0 | 0 | 0 | 0 | 109.8 | I12 K33 A84 L85 A88 F90 V91 Q92 | T10-I12 HydrophobicContact CG2-CG1 4.23Å; T10-K33 CarbonylContact C-O 3.54Å; T10-K33 WeakPolarHBondContact CA-O 3.22Å; T10-A84 HydrophobicContact CG2-CB 4.2Å; T10-A84 VanDerWaalsContact CG2-O 3.25Å; T10-A84 WeakPolarHBondContact CG2-O 3.27Å; T10-A84 PolarHBondContact OG1-O 3.18Å; T10-L85 HydrophobicContact CG2-CD2 3.97Å; T10-A88 WeakPolarHBondContact OG1-CB 3.44Å; T10-F90 PolarHBondContact N-O 3.21Å; T10-V91 CarbonylContact O-C 3.59Å; T10-V91 WeakPolarHBondContact O-CA 3.21Å; T10-Q92 PolarHBondContact O-N 3.27Å |
| 11 | V | 98.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.5 | 172.8 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | W21 F25 V32 K33 I34 Y35 Q92 | V11-W21 HydrophobicContact CG2-CB 4.39Å; V11-F25 HydrophobicContact CG2-CD2 4.33Å; V11-V32 HydrophobicContact CG2-CG1 4Å; V11-K33 PolarHBondContact N-O 2.78Å; V11-I34 HydrophobicContact CB-CG1 4.37Å; V11-I34 HydrophobicContact CG1-CG1 4.42Å; V11-Y35 PolarHBondContact O-N 2.89Å; V11-Q92 WeakPolarHBondContact CA-O 3.42Å |
| 12 | I | 98.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 115.6 | -179.2 | -63.1 | 175.2 | 0 | 0 | 0 | 109.2 | T10 Y35 L81 L85 V91 Q92 C94 V95 V105 V109 | T10-I12 HydrophobicContact CG2-CG1 4.23Å; I12-Y35 HydrophobicContact CG1-CD1 4.46Å; I12-Y35 HydrophobicContact CG2-CD1 4.04Å; I12-Y35 HydrophobicContact CG2-CE1 4.47Å; I12-L81 HydrophobicContact CD1-CD1 4.25Å; I12-L85 HydrophobicContact CD1-CD2 4.45Å; I12-V91 HydrophobicContact CD1-CG1 3.4Å; I12-V91 HydrophobicContact CG1-CG1 3.97Å; I12-Q92 PolarHBondContact N-O 2.97Å; I12-C94 CarbonylContact O-C 3.58Å; I12-C94 WeakPolarHBondContact O-CA 3.34Å; I12-C94 WeakPolarHBondContact O-CB 3.49Å; I12-C94 PolarHBondContact O-N 2.9Å; I12-V95 HydrophobicContact CG2-CG1 3.91Å; I12-V105 HydrophobicContact CD1-CG1 4.23Å; I12-V105 HydrophobicContact CG2-CG1 3.81Å; I12-V109 HydrophobicContact CD1-CG2 3.25Å |
| 13 | G | 98.2 | Very high | 91 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | trans | 97.6 | 120.7 | -173 | 0 | 0 | 0 | 0 | 0 | 110.9 | G18 Y35 | G13-G18 WeakPolarHBondContact O-CA 3.09Å; G13-Y35 PolarHBondContact N-O 3.44Å | ||
| 14 | S | 97.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | trans | -101.1 | 20.3 | -171.8 | 71 | 0 | 0 | 0 | 0 | 114.2 | R19 D36 Q41 | S14-R19 WeakPolarHBondContact O-CG 3.47Å; S14-D36 WeakPolarHBondContact CB-OD2 3.28Å; S14-D36 PolarHBondContact N-OD2 2.76Å; S14-D36 WeakPolarHBondContact OG-CB 3.37Å; S14-D36 VanDerWaalsContact OG-CG 3.27Å; S14-D36 PolarHBondContact OG-OD2 2.88Å; S14-Q41 PolarHBondContact OG-O 3.5Å | ||
| 15 | G | 96.1 | Very high | 95.8 | Very high | 36 Ų | 36 | 31.3 Ų | 31.3 | 37% | 0.371 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -70.1 | -166.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | I17 G18 R19 | G15-I17 PolarHBondContact O-N 3.28Å; G15-G18 PolarHBondContact O-N 2.88Å; G15-R19 WeakPolarHBondContact O-CG 3.32Å; G15-R19 PolarHBondContact O-N 2.93Å |
| 16 | L | 94.8 | Very high | 97.1 | Very high | 92 Ų | 92 | 22.5 Ų | 22.5 | 48% | 0.482 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -54.8 | -48.9 | -178.4 | -178.8 | 66.2 | 0 | 0 | 0 | 113.3 | S20 | L16-S20 PolarHBondContact O-N 2.92Å; L16-S20 VanDerWaalsContact O-N 3.14Å; L16-S20 PolarHBondContact O-OG 3.34Å |
| 17 | I | 97.1 | Very high | 97.8 | Very high | 44 Ų | 44 | 18.7 Ų | 18.7 | 23% | 0.226 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.9 | -42.2 | -179.7 | -62.1 | -59.4 | 0 | 0 | 0 | 111.1 | G15 S20 W21 C94 P146 N148 P150 | G15-I17 PolarHBondContact O-N 3.28Å; I17-S20 WeakPolarHBondContact O-CB 3.41Å; I17-S20 PolarHBondContact O-N 3.43Å; I17-W21 PolarHBondContact O-N 3.07Å; I17-C94 HydrophobicContact CG2-CB 4.44Å; I17-P146 HydrophobicContact CG2-CG 3.96Å; I17-N148 HydrophobicContact CD1-CB 4.32Å; I17-P150 HydrophobicContact CD1-CG 4.09Å |
| 18 | G | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | G13 G15 S20 W21 A22 | G13-G18 WeakPolarHBondContact O-CA 3.09Å; G15-G18 PolarHBondContact O-N 2.88Å; G18-S20 VanDerWaalsContact C-N 3.31Å; G18-S20 PolarHBondContact O-N 2.93Å; G18-W21 PolarHBondContact O-N 3.41Å; G18-A22 WeakPolarHBondContact O-CB 3.39Å; G18-A22 PolarHBondContact O-N 3.37Å |
| 19 | R | 98.3 | Very high | 97.8 | Very high | 49 Ų | 49 | 14.1 Ų | 14.1 | 19% | 0.185 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.7 | -42 | 174.6 | -69.6 | 179.7 | -56.5 | 167.9 | 9.2 | 112.2 | S14 G15 A22 M23 A45 E48 I49 | S14-R19 WeakPolarHBondContact O-CG 3.47Å; G15-R19 WeakPolarHBondContact O-CG 3.32Å; G15-R19 PolarHBondContact O-N 2.93Å; R19-A22 PolarHBondContact O-N 3.19Å; R19-M23 WeakPolarHBondContact O-CG 3.45Å; R19-M23 PolarHBondContact O-N 3.36Å; R19-A45 HydrophobicContact CG-CB 3.77Å; R19-E48 WeakPolarHBondContact CD-OE2 3.47Å; R19-E48 IonicContact CZ-OE2 3.28Å; R19-E48 IonicContact NE-OE2 2.7Å; R19-E48 IonicContact NH1-OE1 3.4Å; R19-E48 PolarHBondContact NH1-OE1 3.43Å; R19-E48 IonicContact NH1-OE2 3.74Å; R19-E48 PolarHBondContact NH1-OE2 3.44Å; R19-I49 HydrophobicContact CB-CD1 4.12Å; R19-I49 HydrophobicContact CB-CG1 3.89Å; R19-I49 HydrophobicContact CG-CD1 4.02Å; R19-I49 HydrophobicContact CG-CG1 3.98Å |
| 20 | S | 97.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 14.9 Ų | 14.9 | 6% | 0.063 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | L16 I17 G18 M23 V24 | L16-S20 PolarHBondContact O-N 2.92Å; L16-S20 VanDerWaalsContact O-N 3.14Å; L16-S20 PolarHBondContact O-OG 3.34Å; I17-S20 WeakPolarHBondContact O-CB 3.41Å; I17-S20 PolarHBondContact O-N 3.43Å; G18-S20 VanDerWaalsContact C-N 3.31Å; G18-S20 PolarHBondContact O-N 2.93Å; S20-M23 PolarHBondContact O-N 3.24Å; S20-V24 VanDerWaalsContact O-CG2 3.32Å; S20-V24 WeakPolarHBondContact O-CG2 3.45Å; S20-V24 PolarHBondContact O-N 3.06Å |
| 21 | W | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.6 | -84.2 | 127.3 | 0 | 0 | 0 | 112.2 | V11 I17 G18 M23 V24 F25 Q92 C94 S122 P146 V156 M176 Q181 | V11-W21 HydrophobicContact CG2-CB 4.39Å; I17-W21 PolarHBondContact O-N 3.07Å; G18-W21 PolarHBondContact O-N 3.41Å; W21-M23 VanDerWaalsContact C-N 3.31Å; W21-M23 PolarHBondContact O-N 3.46Å; W21-V24 HydrophobicContact CE3-CB 4.41Å; W21-V24 HydrophobicContact CE3-CG1 4.34Å; W21-V24 HydrophobicContact CZ3-CG1 4.37Å; W21-V24 PolarHBondContact O-N 3.4Å; W21-V24 VanDerWaalsContact O-N 3.16Å; W21-F25 HydrophobicContact CB-CD2 4.22Å; W21-F25 HydrophobicContact CB-CE2 3.93Å; W21-F25 HydrophobicContact CD2-CE2 4.15Å; W21-F25 HydrophobicContact CD2-CZ 4.35Å; W21-F25 HydrophobicContact CE3-CE1 4.37Å; W21-F25 AromaticContact CE3-CE2 3.77Å; W21-F25 HydrophobicContact CE3-CE2 3.77Å; W21-F25 AromaticContact CE3-CZ 3.68Å; W21-F25 HydrophobicContact CE3-CZ 3.68Å; W21-F25 HydrophobicContact CG-CE2 4.27Å; W21-F25 HydrophobicContact CZ3-CZ 4.08Å; W21-F25 WeakPolarHBondContact O-CD2 3.35Å; W21-F25 WeakPolarHBondContact O-CG 3.36Å; W21-F25 PolarHBondContact O-N 2.79Å; W21-Q92 HydrophobicContact CD2-CG 4.2Å; W21-Q92 HydrophobicContact CG-CG 3.91Å; W21-C94 VanDerWaalsContact CD1-SG 3.57Å; W21-S122 PolarHBondContact NE1-OG 2.84Å; W21-P146 HydrophobicContact CH2-CB 4.29Å; W21-P146 HydrophobicContact CZ2-CB 3.6Å; W21-P146 HydrophobicContact CZ2-CG 3.82Å; W21-V156 HydrophobicContact CH2-CG1 4Å; W21-V156 HydrophobicContact CH2-CG2 3.67Å; W21-V156 HydrophobicContact CZ2-CG1 4.4Å; W21-V156 HydrophobicContact CZ2-CG2 4.48Å; W21-V156 HydrophobicContact CZ3-CG2 4.48Å; W21-M176 HydrophobicContact CH2-CE 3.72Å; W21-M176 HydrophobicContact CH2-SD 3.53Å; W21-M176 VanDerWaalsContact CH2-SD 3.53Å; W21-M176 HydrophobicContact CZ2-CE 4.45Å; W21-M176 HydrophobicContact CZ3-CE 3.93Å; W21-M176 HydrophobicContact CZ3-SD 3.5Å; W21-M176 VanDerWaalsContact CZ3-SD 3.5Å; W21-Q181 HydrophobicContact CZ3-CG 4.41Å |
| 22 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.2 | -47.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G18 R19 V24 F25 I26 V32 I49 L75 | G18-A22 WeakPolarHBondContact O-CB 3.39Å; G18-A22 PolarHBondContact O-N 3.37Å; R19-A22 PolarHBondContact O-N 3.19Å; A22-V24 PolarHBondContact O-N 3.2Å; A22-F25 PolarHBondContact O-N 2.94Å; A22-I26 WeakPolarHBondContact O-CG1 3.45Å; A22-I26 PolarHBondContact O-N 3.31Å; A22-V32 HydrophobicContact CB-CG1 3.9Å; A22-I49 HydrophobicContact CB-CD1 3.89Å; A22-L75 HydrophobicContact CB-CD1 4.04Å |
| 23 | M | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.3 | -71.1 | 178.6 | 70.6 | 0 | 0 | 113.2 | R19 S20 W21 I26 S27 I49 Q52 L56 Y151 | R19-M23 WeakPolarHBondContact O-CG 3.45Å; R19-M23 PolarHBondContact O-N 3.36Å; S20-M23 PolarHBondContact O-N 3.24Å; W21-M23 VanDerWaalsContact C-N 3.31Å; W21-M23 PolarHBondContact O-N 3.46Å; M23-I26 WeakPolarHBondContact O-CG1 3.5Å; M23-S27 WeakPolarHBondContact O-CB 3.38Å; M23-S27 PolarHBondContact O-N 3.43Å; M23-S27 VanDerWaalsContact O-N 3.12Å; M23-I49 HydrophobicContact CG-CB 4.34Å; M23-I49 HydrophobicContact CG-CG1 4.1Å; M23-I49 HydrophobicContact CG-CG2 3.61Å; M23-I49 HydrophobicContact SD-CG1 4.41Å; M23-I49 HydrophobicContact SD-CG2 4.32Å; M23-Q52 HydrophobicContact CE-CB 3.98Å; M23-Q52 HydrophobicContact CE-CG 3.8Å; M23-Q52 HydrophobicContact SD-CB 4.21Å; M23-Q52 HydrophobicContact SD-CG 4.24Å; M23-Q52 PolarHBondContact SD-OE1 3Å; M23-Q52 VanDerWaalsContact SD-OE1 3.33Å; M23-L56 HydrophobicContact CE-CD1 3.55Å; M23-Y151 HydrophobicContact CB-CD2 3.94Å; M23-Y151 HydrophobicContact CB-CE2 3.88Å; M23-Y151 HydrophobicContact CE-CD2 4.24Å; M23-Y151 HydrophobicContact CE-CE2 3.98Å |
| 24 | V | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 176.2 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | S20 W21 A22 S27 G28 Y151 V179 Q181 | S20-V24 VanDerWaalsContact O-CG2 3.32Å; S20-V24 WeakPolarHBondContact O-CG2 3.45Å; S20-V24 PolarHBondContact O-N 3.06Å; W21-V24 HydrophobicContact CE3-CB 4.41Å; W21-V24 HydrophobicContact CE3-CG1 4.34Å; W21-V24 HydrophobicContact CZ3-CG1 4.37Å; W21-V24 PolarHBondContact O-N 3.4Å; W21-V24 VanDerWaalsContact O-N 3.16Å; A22-V24 PolarHBondContact O-N 3.2Å; V24-S27 PolarHBondContact O-N 3.26Å; V24-S27 PolarHBondContact O-OG 2.91Å; V24-G28 PolarHBondContact O-N 3.26Å; V24-Y151 HydrophobicContact CG2-CD2 4.23Å; V24-V179 HydrophobicContact CG1-CB 3.83Å; V24-V179 HydrophobicContact CG1-CG2 3.49Å; V24-V179 VanDerWaalsContact CG1-CG2 3.49Å; V24-Q181 HydrophobicContact CG1-CG 4.04Å |
| 25 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.6 | -43.2 | -177.8 | -68.7 | -52.1 | 0 | 0 | 0 | 113.2 | I9 V11 W21 A22 S27 G28 G29 Y30 V32 F90 Q92 L175 M176 V179 | I9-F25 HydrophobicContact CD1-CB 4.07Å; I9-F25 HydrophobicContact CD1-CD1 3.3Å; I9-F25 HydrophobicContact CD1-CD2 4.21Å; I9-F25 HydrophobicContact CD1-CE1 3.73Å; I9-F25 HydrophobicContact CD1-CG 3.61Å; I9-F25 HydrophobicContact CD1-CZ 4.33Å; I9-F25 HydrophobicContact CG2-CD2 3.8Å; I9-F25 HydrophobicContact CG2-CE2 3.83Å; I9-F25 HydrophobicContact CG2-CG 4.27Å; I9-F25 HydrophobicContact CG2-CZ 4.32Å; V11-F25 HydrophobicContact CG2-CD2 4.33Å; W21-F25 HydrophobicContact CB-CD2 4.22Å; W21-F25 HydrophobicContact CB-CE2 3.93Å; W21-F25 HydrophobicContact CD2-CE2 4.15Å; W21-F25 HydrophobicContact CD2-CZ 4.35Å; W21-F25 HydrophobicContact CE3-CE1 4.37Å; W21-F25 AromaticContact CE3-CE2 3.77Å; W21-F25 HydrophobicContact CE3-CE2 3.77Å; W21-F25 AromaticContact CE3-CZ 3.68Å; W21-F25 HydrophobicContact CE3-CZ 3.68Å; W21-F25 HydrophobicContact CG-CE2 4.27Å; W21-F25 HydrophobicContact CZ3-CZ 4.08Å; W21-F25 WeakPolarHBondContact O-CD2 3.35Å; W21-F25 WeakPolarHBondContact O-CG 3.36Å; W21-F25 PolarHBondContact O-N 2.79Å; A22-F25 PolarHBondContact O-N 2.94Å; F25-S27 VanDerWaalsContact C-N 3.27Å; F25-S27 PolarHBondContact O-N 3.06Å; F25-G28 PolarHBondContact O-N 3.27Å; F25-G29 PolarHBondContact O-N 3.3Å; F25-Y30 PolarHBondContact O-N 3.1Å; F25-V32 HydrophobicContact CB-CG2 3.47Å; F25-V32 VanDerWaalsContact CB-CG2 3.47Å; F25-F90 HydrophobicContact CZ-CE1 4.35Å; F25-Q92 HydrophobicContact CE2-CB 4.26Å; F25-Q92 HydrophobicContact CE2-CG 4.5Å; F25-L175 HydrophobicContact CD1-CD1 4.43Å; F25-L175 HydrophobicContact CE1-CD1 4.26Å; F25-L175 HydrophobicContact CE1-CD2 4.05Å; F25-L175 HydrophobicContact CE1-CG 4.13Å; F25-M176 HydrophobicContact CZ-CE 4.24Å; F25-V179 HydrophobicContact CD1-CG1 4Å |
| 26 | I | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65 | -32.1 | 176.3 | 64.1 | -175.4 | 0 | 0 | 0 | 112 | A22 M23 G28 G29 V32 I49 Q71 L74 L75 | A22-I26 WeakPolarHBondContact O-CG1 3.45Å; A22-I26 PolarHBondContact O-N 3.31Å; M23-I26 WeakPolarHBondContact O-CG1 3.5Å; I26-G28 PolarHBondContact O-N 2.83Å; I26-G29 PolarHBondContact O-N 3.04Å; I26-V32 HydrophobicContact CG2-CB 3.81Å; I26-V32 HydrophobicContact CG2-CG2 3.51Å; I26-I49 HydrophobicContact CD1-CG2 4.33Å; I26-Q71 HydrophobicContact CB-CB 4.23Å; I26-Q71 HydrophobicContact CD1-CB 4Å; I26-Q71 HydrophobicContact CG1-CB 3.95Å; I26-L74 HydrophobicContact CB-CB 4.38Å; I26-L74 HydrophobicContact CG2-CB 4Å; I26-L75 HydrophobicContact CG2-CB 4.23Å; I26-L75 HydrophobicContact CG2-CD1 4.4Å |
| 27 | S | 97.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 5% | 0.049 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.5 | -25.9 | 173.7 | 80.4 | 0 | 0 | 0 | 0 | 113.2 | M23 V24 F25 G29 R63 | M23-S27 WeakPolarHBondContact O-CB 3.38Å; M23-S27 PolarHBondContact O-N 3.43Å; M23-S27 VanDerWaalsContact O-N 3.12Å; V24-S27 PolarHBondContact O-N 3.26Å; V24-S27 PolarHBondContact O-OG 2.91Å; F25-S27 VanDerWaalsContact C-N 3.27Å; F25-S27 PolarHBondContact O-N 3.06Å; S27-G29 VanDerWaalsContact C-N 3.34Å; S27-R63 WeakPolarHBondContact CB-O 3.47Å |
| 28 | G | 96.2 | Very high | 97.8 | Very high | 21 Ų | 21 | 23.6 Ų | 23.6 | 22% | 0.216 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 7.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V24 F25 I26 | V24-G28 PolarHBondContact O-N 3.26Å; F25-G28 PolarHBondContact O-N 3.27Å; I26-G28 PolarHBondContact O-N 2.83Å |
| 29 | G | 96.9 | Very high | 97.7 | Very high | 24 Ų | 24 | 28.5 Ų | 28.5 | 25% | 0.247 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 21.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F25 I26 S27 | F25-G29 PolarHBondContact O-N 3.3Å; I26-G29 PolarHBondContact O-N 3.04Å; S27-G29 VanDerWaalsContact C-N 3.34Å |
| 30 | Y | 98.3 | Very high | 97.6 | Very high | 16 Ų | 16 | 27.8 Ų | 27.8 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | trans | -88.9 | 144.1 | 174.8 | -68.4 | -89.6 | 0 | 0 | 0 | 111.3 | K7 I9 F25 L74 F89 L175 K178 V179 | K7-Y30 HydrophobicContact CB-CD1 3.95Å; K7-Y30 HydrophobicContact CB-CE1 4.04Å; I9-Y30 HydrophobicContact CD1-CD1 3.8Å; I9-Y30 HydrophobicContact CD1-CD2 4.35Å; I9-Y30 HydrophobicContact CD1-CE1 4.38Å; I9-Y30 HydrophobicContact CD1-CG 3.77Å; I9-Y30 HydrophobicContact CG1-CD1 4.21Å; I9-Y30 HydrophobicContact CG1-CG 4.45Å; F25-Y30 PolarHBondContact O-N 3.1Å; Y30-L74 WeakPolarHBondContact O-CB 3.39Å; Y30-F89 AromaticContact CD1-CE1 3.99Å; Y30-F89 HydrophobicContact CD1-CE1 3.99Å; Y30-F89 HydrophobicContact CD1-CZ 4.23Å; Y30-F89 HydrophobicContact CE1-CE1 4Å; Y30-F89 AromaticContact CE1-CZ 3.84Å; Y30-F89 HydrophobicContact CE1-CZ 3.84Å; Y30-L175 HydrophobicContact CD2-CD1 4.41Å; Y30-L175 HydrophobicContact CE1-CD1 3.85Å; Y30-L175 HydrophobicContact CE2-CD1 3.73Å; Y30-L175 WeakPolarHBondContact OH-CD1 3.46Å; Y30-K178 HydrophobicContact CE2-CD 4.35Å; Y30-K178 HydrophobicContact CE2-CG 4.47Å; Y30-K178 VanDerWaalsContact OH-CD 3.31Å; Y30-K178 WeakPolarHBondContact OH-CD 3.38Å; Y30-K178 PolarHBondContact OH-NZ 2.72Å; Y30-V179 HydrophobicContact CD2-CG1 3.86Å; Y30-V179 HydrophobicContact CE2-CG1 3.62Å | ||
| 31 | Q | 98.5 | Very high | 97.6 | Very high | 72 Ų | 72 | 31 Ų | 31 | 34% | 0.336 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 131.7 | 164.4 | -75.1 | -176 | 23 | 0 | 0 | 108.8 | L6 K7 T8 I9 L74 | L6-Q31 HydrophobicContact CB-CG 3.94Å; L6-Q31 HydrophobicContact CD1-CG 4.16Å; L6-Q31 VanDerWaalsContact CD1-NE2 3.32Å; K7-Q31 PolarHBondContact O-N 3.28Å; T8-Q31 CarbonylContact C-O 3.56Å; T8-Q31 WeakPolarHBondContact CA-O 3.31Å; I9-Q31 PolarHBondContact N-O 3.48Å; Q31-L74 HydrophobicContact CG-CD2 4.15Å |
| 32 | V | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.6 | -179.2 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | I9 V11 A22 F25 I26 L74 L75 S76 | I9-V32 WeakPolarHBondContact O-CA 3.38Å; V11-V32 HydrophobicContact CG2-CG1 4Å; A22-V32 HydrophobicContact CB-CG1 3.9Å; F25-V32 HydrophobicContact CB-CG2 3.47Å; F25-V32 VanDerWaalsContact CB-CG2 3.47Å; I26-V32 HydrophobicContact CG2-CB 3.81Å; I26-V32 HydrophobicContact CG2-CG2 3.51Å; V32-L74 PolarHBondContact N-O 3.39Å; V32-L75 HydrophobicContact CB-CD1 3.83Å; V32-L75 HydrophobicContact CG1-CD1 3.71Å; V32-L75 WeakPolarHBondContact O-CA 3.36Å; V32-S76 PolarHBondContact O-N 3.28Å |
| 33 | K | 98.8 | Very high | 97.5 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116.2 | 170.1 | -60.2 | -174.1 | 168.8 | -179.2 | 0 | 108.3 | T8 I9 T10 V11 S76 Y78 P83 A84 E86 | T8-K33 HydrophobicContact CG2-CD 3.89Å; T8-K33 HydrophobicContact CG2-CG 3.86Å; I9-K33 PolarHBondContact O-N 2.98Å; T10-K33 CarbonylContact C-O 3.54Å; T10-K33 WeakPolarHBondContact CA-O 3.22Å; V11-K33 PolarHBondContact N-O 2.78Å; K33-S76 CarbonylContact C-O 3.19Å; K33-S76 WeakPolarHBondContact CA-O 3.47Å; K33-Y78 HydrophobicContact CB-CD2 3.89Å; K33-Y78 HydrophobicContact CB-CE2 3.73Å; K33-Y78 HydrophobicContact CD-CD2 4.34Å; K33-Y78 HydrophobicContact CD-CE2 3.65Å; K33-Y78 WeakPolarHBondContact CE-OH 3.36Å; K33-Y78 HydrophobicContact CG-CD2 4.24Å; K33-Y78 HydrophobicContact CG-CE2 3.56Å; K33-P83 PolarHBondContact NZ-O 2.72Å; K33-A84 WeakPolarHBondContact CD-O 3.26Å; K33-E86 PolarHBondContact NZ-O 3.42Å |
| 34 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 130.1 | 174 | -162.2 | 168.3 | 0 | 0 | 0 | 109.9 | V11 A42 A45 I46 I49 S76 C77 Y78 | V11-I34 HydrophobicContact CB-CG1 4.37Å; V11-I34 HydrophobicContact CG1-CG1 4.42Å; I34-A42 HydrophobicContact CG2-CB 4.43Å; I34-A45 HydrophobicContact CD1-CB 3.97Å; I34-I46 HydrophobicContact CG2-CD1 3.92Å; I34-I49 HydrophobicContact CD1-CD1 4.4Å; I34-S76 PolarHBondContact N-O 3Å; I34-C77 HydrophobicContact CG2-CB 3.71Å; I34-C77 CarbonylContact O-C 3.53Å; I34-C77 VanDerWaalsContact O-CA 3.32Å; I34-C77 WeakPolarHBondContact O-CA 3.43Å; I34-Y78 PolarHBondContact O-N 2.54Å |
| 35 | Y | 98.6 | Very high | 97.4 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 140.2 | 178 | 168 | -95.9 | 0 | 0 | 0 | 110.4 | V11 I12 G13 N37 Y78 E79 L81 A84 | V11-Y35 PolarHBondContact O-N 2.89Å; I12-Y35 HydrophobicContact CG1-CD1 4.46Å; I12-Y35 HydrophobicContact CG2-CD1 4.04Å; I12-Y35 HydrophobicContact CG2-CE1 4.47Å; G13-Y35 PolarHBondContact N-O 3.44Å; Y35-N37 HydrophobicContact CE1-CB 4.42Å; Y35-Y78 WeakPolarHBondContact CA-O 3.09Å; Y35-E79 VanDerWaalsContact CE2-O 3.26Å; Y35-E79 WeakPolarHBondContact CE2-O 3.3Å; Y35-L81 HydrophobicContact CD1-CD1 3.86Å; Y35-L81 HydrophobicContact CD2-CD1 4.5Å; Y35-L81 HydrophobicContact CE1-CB 4.49Å; Y35-L81 HydrophobicContact CE1-CD1 3.86Å; Y35-L81 HydrophobicContact CE2-CB 3.98Å; Y35-L81 HydrophobicContact CE2-CD1 4.48Å; Y35-L81 HydrophobicContact CG-CD1 4.2Å; Y35-A84 HydrophobicContact CD2-CB 4.17Å; Y35-A84 HydrophobicContact CG-CB 4.24Å |
| 36 | D | 97.9 | Very high | 97.4 | Very high | 18 Ų | 18 | 39.8 Ų | 39.8 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | trans | -142 | 142 | 168.6 | -154.6 | -68.8 | 0 | 0 | 0 | 109.3 | S14 Q38 Q41 A42 | S14-D36 WeakPolarHBondContact CB-OD2 3.28Å; S14-D36 PolarHBondContact N-OD2 2.76Å; S14-D36 WeakPolarHBondContact OG-CB 3.37Å; S14-D36 VanDerWaalsContact OG-CG 3.27Å; S14-D36 PolarHBondContact OG-OD2 2.88Å; D36-Q38 VanDerWaalsContact C-N 3.3Å; D36-Q38 WeakPolarHBondContact OD1-CB 3.48Å; D36-Q38 PolarHBondContact OD1-N 3.28Å; D36-Q41 HydrophobicContact CB-CB 3.95Å; D36-A42 HydrophobicContact CB-CB 4.08Å | ||
| 37 | N | 94.8 | Very high | 97.4 | Very high | 111 Ų | 111 | 44.3 Ų | 44.3 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -82.4 | -12.3 | -179.1 | 72 | -15.4 | 0 | 0 | 0 | 112.9 | Y35 | Y35-N37 HydrophobicContact CE1-CB 4.42Š|
| 38 | Q | 95.8 | Very high | 97.4 | Very high | 110 Ų | 110 | 47 Ų | 47 | 51% | 0.514 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -88.1 | 119.9 | 174 | -65.8 | -60.4 | -34 | 0 | 0 | 109.5 | D36 G40 Q41 | D36-Q38 VanDerWaalsContact C-N 3.3Å; D36-Q38 WeakPolarHBondContact OD1-CB 3.48Å; D36-Q38 PolarHBondContact OD1-N 3.28Å; Q38-G40 PolarHBondContact O-N 3.03Å; Q38-Q41 HydrophobicContact CB-CB 4.03Å; Q38-Q41 HydrophobicContact CB-CG 3.51Å; Q38-Q41 HydrophobicContact CG-CG 4.46Å; Q38-Q41 WeakPolarHBondContact O-CB 3.3Å; Q38-Q41 PolarHBondContact O-N 3.48Å; Q38-Q41 VanDerWaalsContact O-N 3.08Å |
| 39 | P | 95.4 | Very high | 97.5 | Very high | 104 Ų | 104 | 46 Ų | 46 | 68% | 0.675 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 134.8 | 179.1 | -28.7 | 35.7 | 0 | 0 | 0 | 112.4 | Q41 | P39-Q41 PolarHBondContact O-N 2.98Š|
| 40 | G | 96.1 | Very high | 97.6 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | -12.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q38 A43 K44 E79 | Q38-G40 PolarHBondContact O-N 3.03Å; G40-A43 PolarHBondContact O-N 2.85Å; G40-K44 WeakPolarHBondContact O-CB 3.09Å; G40-K44 PolarHBondContact O-N 3.15Å; G40-E79 PolarHBondContact N-OE1 3.32Å |
| 41 | Q | 97.2 | Very high | 97.6 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 36% | 0.36 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 178.8 | -79.4 | -69.5 | 114.8 | 0 | 0 | 112.3 | S14 D36 Q38 P39 A43 K44 A45 | S14-Q41 PolarHBondContact OG-O 3.5Å; D36-Q41 HydrophobicContact CB-CB 3.95Å; Q38-Q41 HydrophobicContact CB-CB 4.03Å; Q38-Q41 HydrophobicContact CB-CG 3.51Å; Q38-Q41 HydrophobicContact CG-CG 4.46Å; Q38-Q41 WeakPolarHBondContact O-CB 3.3Å; Q38-Q41 PolarHBondContact O-N 3.48Å; Q38-Q41 VanDerWaalsContact O-N 3.08Å; P39-Q41 PolarHBondContact O-N 2.98Å; Q41-A43 VanDerWaalsContact C-N 3.34Å; Q41-A43 PolarHBondContact O-N 3.4Å; Q41-K44 WeakPolarHBondContact O-CB 3.29Å; Q41-K44 PolarHBondContact O-N 3.08Å; Q41-A45 PolarHBondContact O-N 2.93Å |
| 42 | A | 97.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I34 D36 A45 I46 C77 | I34-A42 HydrophobicContact CG2-CB 4.43Å; D36-A42 HydrophobicContact CB-CB 4.08Å; A42-A45 WeakPolarHBondContact O-CB 3.47Å; A42-A45 PolarHBondContact O-N 3.02Å; A42-I46 WeakPolarHBondContact O-CG1 3.37Å; A42-I46 PolarHBondContact O-N 2.9Å; A42-I46 VanDerWaalsContact O-N 3.13Å; A42-C77 HydrophobicContact CB-CB 3.81Å |
| 43 | A | 97.5 | Very high | 97.3 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G40 Q41 A45 I46 T47 | G40-A43 PolarHBondContact O-N 2.85Å; Q41-A43 VanDerWaalsContact C-N 3.34Å; Q41-A43 PolarHBondContact O-N 3.4Å; A43-A45 VanDerWaalsContact C-N 3.31Å; A43-A45 PolarHBondContact O-N 2.85Å; A43-I46 WeakPolarHBondContact O-CB 3.4Å; A43-I46 PolarHBondContact O-N 3.04Å; A43-T47 PolarHBondContact O-N 3.28Å; A43-T47 PolarHBondContact O-OG1 3.3Å |
| 44 | K | 98 | Very high | 97.3 | Very high | 108 Ų | 108 | 57.5 Ų | 57.5 | 47% | 0.47 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 172.4 | -178.2 | 179.5 | 174.6 | -179.1 | 0 | 111 | G40 Q41 I46 T47 E48 | G40-K44 WeakPolarHBondContact O-CB 3.09Å; G40-K44 PolarHBondContact O-N 3.15Å; Q41-K44 WeakPolarHBondContact O-CB 3.29Å; Q41-K44 PolarHBondContact O-N 3.08Å; K44-I46 VanDerWaalsContact C-N 3.33Å; K44-I46 PolarHBondContact O-N 3.03Å; K44-T47 WeakPolarHBondContact O-CB 3.3Å; K44-T47 PolarHBondContact O-N 2.77Å; K44-T47 VanDerWaalsContact O-N 3.1Å; K44-E48 VanDerWaalsContact CE-OE1 3.23Å; K44-E48 WeakPolarHBondContact CE-OE1 3.4Å; K44-E48 WeakPolarHBondContact O-CG 3.25Å; K44-E48 PolarHBondContact O-N 3.37Å |
| 45 | A | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R19 I34 Q41 A42 A43 T47 E48 I49 | R19-A45 HydrophobicContact CG-CB 3.77Å; I34-A45 HydrophobicContact CD1-CB 3.97Å; Q41-A45 PolarHBondContact O-N 2.93Å; A42-A45 WeakPolarHBondContact O-CB 3.47Å; A42-A45 PolarHBondContact O-N 3.02Å; A43-A45 VanDerWaalsContact C-N 3.31Å; A43-A45 PolarHBondContact O-N 2.85Å; A45-T47 VanDerWaalsContact C-N 3.32Å; A45-T47 PolarHBondContact O-N 3.12Å; A45-E48 PolarHBondContact O-N 2.79Å; A45-I49 WeakPolarHBondContact O-CB 3.34Å; A45-I49 WeakPolarHBondContact O-CD1 3.42Å; A45-I49 WeakPolarHBondContact O-CG1 3.31Å; A45-I49 PolarHBondContact O-N 3.42Å |
| 46 | I | 98 | Very high | 96.8 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 14% | 0.138 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 172.1 | -62.1 | -61.8 | 0 | 0 | 0 | 111.2 | I34 A42 A43 K44 E48 I49 R50 L75 C77 | I34-I46 HydrophobicContact CG2-CD1 3.92Å; A42-I46 WeakPolarHBondContact O-CG1 3.37Å; A42-I46 PolarHBondContact O-N 2.9Å; A42-I46 VanDerWaalsContact O-N 3.13Å; A43-I46 WeakPolarHBondContact O-CB 3.4Å; A43-I46 PolarHBondContact O-N 3.04Å; K44-I46 VanDerWaalsContact C-N 3.33Å; K44-I46 PolarHBondContact O-N 3.03Å; I46-E48 VanDerWaalsContact C-N 3.32Å; I46-E48 PolarHBondContact O-N 3.33Å; I46-I49 PolarHBondContact O-N 3.14Å; I46-R50 VanDerWaalsContact O-CB 3.3Å; I46-R50 WeakPolarHBondContact O-CB 3.47Å; I46-R50 PolarHBondContact O-N 2.83Å; I46-L75 HydrophobicContact CD1-CD1 4.23Å; I46-L75 HydrophobicContact CD1-CD2 3.42Å; I46-L75 VanDerWaalsContact CD1-CD2 3.42Å; I46-L75 HydrophobicContact CD1-CG 3.41Å; I46-L75 VanDerWaalsContact CD1-CG 3.41Å; I46-C77 HydrophobicContact CD1-CB 4.04Å; I46-C77 HydrophobicContact CG1-CB 3.68Å |
| 47 | T | 98.1 | Very high | 96.7 | Very high | 95 Ų | 95 | 63.7 Ų | 63.7 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 179.5 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | A43 K44 A45 R50 K51 | A43-T47 PolarHBondContact O-N 3.28Å; A43-T47 PolarHBondContact O-OG1 3.3Å; K44-T47 WeakPolarHBondContact O-CB 3.3Å; K44-T47 PolarHBondContact O-N 2.77Å; K44-T47 VanDerWaalsContact O-N 3.1Å; A45-T47 VanDerWaalsContact C-N 3.32Å; A45-T47 PolarHBondContact O-N 3.12Å; T47-R50 PolarHBondContact O-N 2.79Å; T47-K51 PolarHBondContact O-N 2.91Å; T47-K51 VanDerWaalsContact O-N 3.1Å |
| 48 | E | 97.6 | Very high | 96.7 | Very high | 64 Ų | 64 | 65.8 Ų | 65.8 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.7 | -40.3 | -179.5 | -66.5 | 165.1 | 142.7 | 0 | 0 | 112 | R19 K44 A45 I46 K51 Q52 | R19-E48 WeakPolarHBondContact CD-OE2 3.47Å; R19-E48 IonicContact CZ-OE2 3.28Å; R19-E48 IonicContact NE-OE2 2.7Å; R19-E48 IonicContact NH1-OE1 3.4Å; R19-E48 PolarHBondContact NH1-OE1 3.43Å; R19-E48 IonicContact NH1-OE2 3.74Å; R19-E48 PolarHBondContact NH1-OE2 3.44Å; K44-E48 VanDerWaalsContact CE-OE1 3.23Å; K44-E48 WeakPolarHBondContact CE-OE1 3.4Å; K44-E48 WeakPolarHBondContact O-CG 3.25Å; K44-E48 PolarHBondContact O-N 3.37Å; A45-E48 PolarHBondContact O-N 2.79Å; I46-E48 VanDerWaalsContact C-N 3.32Å; I46-E48 PolarHBondContact O-N 3.33Å; E48-K51 PolarHBondContact O-N 2.93Å; E48-Q52 WeakPolarHBondContact O-CB 3.37Å; E48-Q52 PolarHBondContact O-N 3.5Å |
| 49 | I | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 173.4 | -70.8 | 163.4 | 0 | 0 | 0 | 110.5 | R19 A22 M23 I26 I34 A45 I46 Q52 T53 L72 L75 | R19-I49 HydrophobicContact CB-CD1 4.12Å; R19-I49 HydrophobicContact CB-CG1 3.89Å; R19-I49 HydrophobicContact CG-CD1 4.02Å; R19-I49 HydrophobicContact CG-CG1 3.98Å; A22-I49 HydrophobicContact CB-CD1 3.89Å; M23-I49 HydrophobicContact CG-CB 4.34Å; M23-I49 HydrophobicContact CG-CG1 4.1Å; M23-I49 HydrophobicContact CG-CG2 3.61Å; M23-I49 HydrophobicContact SD-CG1 4.41Å; M23-I49 HydrophobicContact SD-CG2 4.32Å; I26-I49 HydrophobicContact CD1-CG2 4.33Å; I34-I49 HydrophobicContact CD1-CD1 4.4Å; A45-I49 WeakPolarHBondContact O-CB 3.34Å; A45-I49 WeakPolarHBondContact O-CD1 3.42Å; A45-I49 WeakPolarHBondContact O-CG1 3.31Å; A45-I49 PolarHBondContact O-N 3.42Å; I46-I49 PolarHBondContact O-N 3.14Å; I49-Q52 PolarHBondContact O-N 3.25Å; I49-T53 VanDerWaalsContact O-CB 3.29Å; I49-T53 WeakPolarHBondContact O-CB 3.25Å; I49-T53 PolarHBondContact O-N 3.43Å; I49-T53 PolarHBondContact O-OG1 3.26Å; I49-L72 HydrophobicContact CG2-CD2 4.08Å; I49-L75 HydrophobicContact CB-CD2 4.09Å; I49-L75 HydrophobicContact CD1-CD2 3.78Å; I49-L75 HydrophobicContact CG2-CD2 3.62Å |
| 50 | R | 98.3 | Very high | 96.2 | Very high | 110 Ų | 110 | 66.2 Ų | 66.2 | 42% | 0.415 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.1 | -56.3 | 176.4 | 175.5 | 179.6 | -55.9 | -76.2 | -4 | 111.1 | I46 T47 Q52 T53 E54 L72 | I46-R50 VanDerWaalsContact O-CB 3.3Å; I46-R50 WeakPolarHBondContact O-CB 3.47Å; I46-R50 PolarHBondContact O-N 2.83Å; T47-R50 PolarHBondContact O-N 2.79Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; R50-Q52 PolarHBondContact O-N 3.02Å; R50-T53 PolarHBondContact O-N 3.37Å; R50-E54 WeakPolarHBondContact CG-OE1 3.44Å; R50-E54 WeakPolarHBondContact O-CG 3.34Å; R50-E54 PolarHBondContact O-N 2.68Å; R50-L72 HydrophobicContact CB-CD1 4.31Å; R50-L72 HydrophobicContact CB-CD2 4.14Å; R50-L72 HydrophobicContact CG-CD1 3.96Å |
| 51 | K | 97.6 | Very high | 95.9 | Very high | 126 Ų | 126 | 66.2 Ų | 66.2 | 55% | 0.548 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -53.6 | -50.8 | 178.5 | 178.8 | -179.1 | 170 | -178.2 | 0 | 111.3 | T47 E48 T53 E54 E55 | T47-K51 PolarHBondContact O-N 2.91Å; T47-K51 VanDerWaalsContact O-N 3.1Å; E48-K51 PolarHBondContact O-N 2.93Å; K51-T53 VanDerWaalsContact C-N 3.35Å; K51-T53 PolarHBondContact O-N 2.94Å; K51-E54 PolarHBondContact O-N 2.67Å; K51-E55 WeakPolarHBondContact CE-OE1 3.47Å; K51-E55 IonicContact NZ-OE1 2.74Å; K51-E55 WeakPolarHBondContact O-CB 3.34Å; K51-E55 VanDerWaalsContact O-CG 3.31Å; K51-E55 WeakPolarHBondContact O-CG 3.36Å; K51-E55 PolarHBondContact O-N 3.38Å |
| 52 | Q | 95.4 | Very high | 95.8 | Very high | 58 Ų | 58 | 64.2 Ų | 64.2 | 27% | 0.271 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.2 | -36.4 | -177.5 | -165.2 | -178.9 | -4.4 | 0 | 0 | 112.5 | M23 E48 I49 R50 L56 | M23-Q52 HydrophobicContact CE-CB 3.98Å; M23-Q52 HydrophobicContact CE-CG 3.8Å; M23-Q52 HydrophobicContact SD-CB 4.21Å; M23-Q52 HydrophobicContact SD-CG 4.24Å; M23-Q52 PolarHBondContact SD-OE1 3Å; M23-Q52 VanDerWaalsContact SD-OE1 3.33Å; E48-Q52 WeakPolarHBondContact O-CB 3.37Å; E48-Q52 PolarHBondContact O-N 3.5Å; I49-Q52 PolarHBondContact O-N 3.25Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; R50-Q52 PolarHBondContact O-N 3.02Å; Q52-L56 HydrophobicContact CG-CD1 4.19Å; Q52-L56 WeakPolarHBondContact O-CB 3.42Å; Q52-L56 WeakPolarHBondContact O-CD1 3.43Å; Q52-L56 WeakPolarHBondContact O-CG 3.46Å; Q52-L56 PolarHBondContact O-N 3.43Å |
| 53 | T | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68 | -41 | 178.6 | -53.4 | 0 | 0 | 0 | 0 | 111 | I49 R50 K51 L56 E57 L62 A68 L72 | I49-T53 VanDerWaalsContact O-CB 3.29Å; I49-T53 WeakPolarHBondContact O-CB 3.25Å; I49-T53 PolarHBondContact O-N 3.43Å; I49-T53 PolarHBondContact O-OG1 3.26Å; R50-T53 PolarHBondContact O-N 3.37Å; K51-T53 VanDerWaalsContact C-N 3.35Å; K51-T53 PolarHBondContact O-N 2.94Å; T53-L56 PolarHBondContact O-N 3.27Å; T53-E57 PolarHBondContact O-N 2.89Å; T53-L62 HydrophobicContact CG2-CD1 3.54Å; T53-A68 HydrophobicContact CG2-CB 3.7Å; T53-L72 HydrophobicContact CG2-CG 4.35Å |
| 54 | E | 97 | Very high | 95.3 | Very high | 79 Ų | 79 | 65.8 Ų | 65.8 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 175.2 | -70.4 | 164.4 | 178.4 | 0 | 0 | 111 | R50 K51 L56 E57 E58 | R50-E54 WeakPolarHBondContact CG-OE1 3.44Å; R50-E54 WeakPolarHBondContact O-CG 3.34Å; R50-E54 PolarHBondContact O-N 2.68Å; K51-E54 PolarHBondContact O-N 2.67Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.99Å; E54-E57 PolarHBondContact O-N 2.88Å; E54-E57 VanDerWaalsContact O-N 3.1Å; E54-E58 WeakPolarHBondContact O-CG 3.44Å; E54-E58 PolarHBondContact O-N 3.43Å |
| 55 | E | 94.6 | Very high | 95.1 | Very high | 98 Ų | 98 | 68.8 Ų | 68.8 | 46% | 0.458 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.5 | -39.3 | 175.4 | -73.3 | 172.1 | 168.1 | 0 | 0 | 112.4 | K51 A59 | K51-E55 WeakPolarHBondContact CE-OE1 3.47Å; K51-E55 IonicContact NZ-OE1 2.74Å; K51-E55 WeakPolarHBondContact O-CB 3.34Å; K51-E55 VanDerWaalsContact O-CG 3.31Å; K51-E55 WeakPolarHBondContact O-CG 3.36Å; K51-E55 PolarHBondContact O-N 3.38Å; E55-A59 WeakPolarHBondContact O-CB 3.37Å; E55-A59 PolarHBondContact O-N 3.49Å |
| 56 | L | 93.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.4 | -35 | 176.3 | -74.8 | 166 | 0 | 0 | 0 | 112.6 | M23 Q52 T53 E54 H60 M61 L62 Y151 Y152 | M23-L56 HydrophobicContact CE-CD1 3.55Å; Q52-L56 HydrophobicContact CG-CD1 4.19Å; Q52-L56 WeakPolarHBondContact O-CB 3.42Å; Q52-L56 WeakPolarHBondContact O-CD1 3.43Å; Q52-L56 WeakPolarHBondContact O-CG 3.46Å; Q52-L56 PolarHBondContact O-N 3.43Å; T53-L56 PolarHBondContact O-N 3.27Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.99Å; L56-H60 PolarHBondContact O-N 3.31Å; L56-M61 HydrophobicContact CD2-CB 3.95Å; L56-M61 CarbonylContact O-C 3.56Å; L56-M61 WeakPolarHBondContact O-CA 3.36Å; L56-M61 PolarHBondContact O-N 2.96Å; L56-L62 HydrophobicContact CB-CB 4.47Å; L56-L62 HydrophobicContact CB-CD1 4.31Å; L56-L62 PolarHBondContact O-N 3.39Å; L56-Y151 HydrophobicContact CD1-CD1 4.08Å; L56-Y151 HydrophobicContact CD1-CE1 3.47Å; L56-Y151 VanDerWaalsContact CD1-CE1 3.47Å; L56-Y151 HydrophobicContact CD1-CE2 4.29Å; L56-Y151 HydrophobicContact CD2-CE1 4.13Å; L56-Y151 HydrophobicContact CG-CE1 4.41Å; L56-Y152 HydrophobicContact CD2-CE1 4.24Å |
| 57 | E | 96 | Very high | 95.1 | Very high | 78 Ų | 78 | 72 Ų | 72 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.6 | -47.1 | 174.8 | -173.8 | 170.6 | -118.8 | 0 | 0 | 111.2 | T53 E54 A59 H60 L62 S67 A68 | T53-E57 PolarHBondContact O-N 2.89Å; E54-E57 PolarHBondContact O-N 2.88Å; E54-E57 VanDerWaalsContact O-N 3.1Å; E57-A59 VanDerWaalsContact C-N 3.26Å; E57-A59 PolarHBondContact O-N 2.84Å; E57-H60 PolarHBondContact O-N 2.95Å; E57-L62 HydrophobicContact CB-CB 4.41Å; E57-L62 HydrophobicContact CB-CD2 4.2Å; E57-L62 HydrophobicContact CG-CD2 4.37Å; E57-S67 WeakPolarHBondContact OE1-CA 3.18Å; E57-S67 WeakPolarHBondContact OE1-CB 3.37Å; E57-A68 HydrophobicContact CB-CB 4.03Å; E57-A68 HydrophobicContact CG-CB 4.37Å; E57-A68 PolarHBondContact OE1-N 3.21Å; E57-A68 VanDerWaalsContact OE2-CB 3.23Å; E57-A68 WeakPolarHBondContact OE2-CB 3.23Å |
| 58 | E | 94.8 | Very high | 95.1 | Very high | 156 Ų | 156 | 67.6 Ų | 67.6 | 73% | 0.729 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.8 | -37.7 | 175.5 | -70.9 | 180 | 179.3 | 0 | 0 | 112.1 | E54 H60 | E54-E58 WeakPolarHBondContact O-CG 3.44Å; E54-E58 PolarHBondContact O-N 3.43Å; E58-H60 PolarHBondContact O-N 3.26Å |
| 59 | A | 89.9 | Confident | 95.1 | Very high | 54 Ų | 54 | 68 Ų | 68 | 45% | 0.446 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -2.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | E55 E57 M61 | E55-A59 WeakPolarHBondContact O-CB 3.37Å; E55-A59 PolarHBondContact O-N 3.49Å; E57-A59 VanDerWaalsContact C-N 3.26Å; E57-A59 PolarHBondContact O-N 2.84Å; A59-M61 HydrophobicContact CB-CB 4.29Å; A59-M61 HydrophobicContact CB-CG 4.02Å; A59-M61 WeakPolarHBondContact O-CG 3.4Å; A59-M61 PolarHBondContact O-N 3.05Å |
| 60 | H | 90.6 | Very high | 95.1 | Very high | 168 Ų | 168 | 72.8 Ų | 72.8 | 78% | 0.778 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 35.9 | -170.5 | -56 | -57.6 | 0 | 0 | 0 | 113.5 | L56 E57 E58 | L56-H60 PolarHBondContact O-N 3.31Å; E57-H60 PolarHBondContact O-N 2.95Å; E58-H60 PolarHBondContact O-N 3.26Å |
| 61 | M | 88.8 | Confident | 95.1 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 17% | 0.167 | 36% | 0.36 | C | S | . | . | trans | -119.6 | 4.4 | -177.6 | -64.1 | -54.6 | -66 | 0 | 0 | 113.2 | L56 A59 R63 M308 K312 | L56-M61 HydrophobicContact CD2-CB 3.95Å; L56-M61 CarbonylContact O-C 3.56Å; L56-M61 WeakPolarHBondContact O-CA 3.36Å; L56-M61 PolarHBondContact O-N 2.96Å; A59-M61 HydrophobicContact CB-CB 4.29Å; A59-M61 HydrophobicContact CB-CG 4.02Å; A59-M61 WeakPolarHBondContact O-CG 3.4Å; A59-M61 PolarHBondContact O-N 3.05Å; M61-R63 PolarHBondContact O-N 3.31Å; M61-M308 HydrophobicContact CB-SD 4.14Å; M61-M308 HydrophobicContact CE-CE 4.34Å; M61-M308 HydrophobicContact CE-CG 3.4Å; M61-M308 VanDerWaalsContact CE-CG 3.4Å; M61-M308 HydrophobicContact CE-SD 4.09Å; M61-M308 HydrophobicContact CG-CE 4.06Å; M61-M308 HydrophobicContact CG-CG 4.32Å; M61-M308 HydrophobicContact CG-SD 3.73Å; M61-K312 HydrophobicContact CE-CB 3.97Å; M61-K312 HydrophobicContact CE-CD 4.11Å; M61-K312 HydrophobicContact CE-CG 4.45Å; M61-K312 HydrophobicContact SD-CD 3.95Å | ||
| 62 | L | 94.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 62.3 Ų | 62.3 | 18% | 0.183 | 34% | 0.337 | C | S | . | . | trans | -60.2 | 132.8 | 173.5 | -170.7 | 68.9 | 0 | 0 | 0 | 110.6 | T53 L56 E57 L66 A68 | T53-L62 HydrophobicContact CG2-CD1 3.54Å; L56-L62 HydrophobicContact CB-CB 4.47Å; L56-L62 HydrophobicContact CB-CD1 4.31Å; L56-L62 PolarHBondContact O-N 3.39Å; E57-L62 HydrophobicContact CB-CB 4.41Å; E57-L62 HydrophobicContact CB-CD2 4.2Å; E57-L62 HydrophobicContact CG-CD2 4.37Å; L62-L66 WeakPolarHBondContact CD2-O 3.47Å; L62-A68 HydrophobicContact CD2-CB 4.26Å | ||
| 63 | R | 93.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 63.6 Ų | 63.6 | 13% | 0.132 | 36% | 0.358 | C | S | . | . | trans | -79.2 | 152.2 | 175.9 | -70.1 | 173.8 | 64.7 | 158.7 | -2.8 | 111.2 | S27 M61 Q71 Y151 V179 G180 Q181 | S27-R63 WeakPolarHBondContact CB-O 3.47Å; M61-R63 PolarHBondContact O-N 3.31Å; R63-Q71 PolarHBondContact O-NE2 3.35Å; R63-Y151 HydrophobicContact CB-CE1 4.43Å; R63-Y151 HydrophobicContact CB-CE2 4.47Å; R63-Y151 WeakPolarHBondContact CB-OH 3.31Å; R63-Y151 VanDerWaalsContact CD-CZ 3.46Å; R63-Y151 HydrophobicContact CG-CD1 4.38Å; R63-Y151 HydrophobicContact CG-CE1 3.62Å; R63-Y151 HydrophobicContact CG-CE2 4.24Å; R63-Y151 PolarHBondContact N-OH 2.97Å; R63-Y151 PolarHBondContact NH1-O 3.45Å; R63-V179 PolarHBondContact NH2-O 2.95Å; R63-G180 VanDerWaalsContact NH2-C 3.25Å; R63-G180 PolarHBondContact NH2-O 2.82Å; R63-Q181 VanDerWaalsContact CZ-OE1 3.29Å | ||
| 64 | G | 92.5 | Very high | 95.3 | Very high | 47 Ų | 47 | 65 Ų | 65 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 78.7 | -177.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 65 | D | 93.7 | Very high | 95.4 | Very high | 172 Ų | 172 | 62.1 Ų | 62.1 | 92% | 0.92 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -100.6 | -3.5 | -177 | -55.7 | -45.5 | 0 | 0 | 0 | 112.8 | ||
| 66 | L | 96.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -86.9 | 139.5 | 178.6 | -62.1 | -178.9 | 0 | 0 | 0 | 110.4 | L62 Q70 Q71 L74 | L62-L66 WeakPolarHBondContact CD2-O 3.47Å; L66-Q70 HydrophobicContact CB-CB 3.97Å; L66-Q70 HydrophobicContact CD2-CB 4.34Å; L66-Q71 HydrophobicContact CB-CG 3.68Å; L66-Q71 HydrophobicContact CD1-CG 4.4Å; L66-Q71 PolarHBondContact O-NE2 2.95Å; L66-L74 HydrophobicContact CD1-CD1 3.87Å |
| 67 | S | 98 | Very high | 95.8 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | trans | -63.9 | 162.4 | 170.6 | 70.1 | 0 | 0 | 0 | 0 | 111.8 | E57 A69 Q70 Q71 | E57-S67 WeakPolarHBondContact OE1-CA 3.18Å; E57-S67 WeakPolarHBondContact OE1-CB 3.37Å; S67-A69 PolarHBondContact O-N 3.03Å; S67-Q70 WeakPolarHBondContact O-CB 3.36Å; S67-Q70 PolarHBondContact O-N 3.46Å; S67-Q70 WeakPolarHBondContact OG-CG 3.33Å; S67-Q70 PolarHBondContact OG-N 3.12Å; S67-Q70 PolarHBondContact OG-OE1 3.29Å; S67-Q71 WeakPolarHBondContact O-CG 3.36Å; S67-Q71 PolarHBondContact O-N 3.44Å | ||
| 68 | A | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 2% | 0.017 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.5 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T53 E57 L62 Q70 Q71 L72 | T53-A68 HydrophobicContact CG2-CB 3.7Å; E57-A68 HydrophobicContact CB-CB 4.03Å; E57-A68 HydrophobicContact CG-CB 4.37Å; E57-A68 PolarHBondContact OE1-N 3.21Å; E57-A68 VanDerWaalsContact OE2-CB 3.23Å; E57-A68 WeakPolarHBondContact OE2-CB 3.23Å; L62-A68 HydrophobicContact CD2-CB 4.26Å; A68-Q70 VanDerWaalsContact C-N 3.33Å; A68-Q70 PolarHBondContact O-N 2.79Å; A68-Q71 PolarHBondContact O-N 3.02Å; A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 WeakPolarHBondContact O-CD1 3.15Å; A68-L72 WeakPolarHBondContact O-CG 3.36Å; A68-L72 PolarHBondContact O-N 3.36Å |
| 69 | A | 98.3 | Very high | 95.9 | Very high | 71 Ų | 71 | 59 Ų | 59 | 59% | 0.587 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S67 A73 | S67-A69 PolarHBondContact O-N 3.03Å; A69-A73 WeakPolarHBondContact O-CB 3.44Å; A69-A73 PolarHBondContact O-N 3.34Å; A69-A73 VanDerWaalsContact O-N 3.1Å |
| 70 | Q | 98.3 | Very high | 96.2 | Very high | 102 Ų | 102 | 62 Ų | 62 | 48% | 0.477 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 177 | -73 | 172 | -32.1 | 0 | 0 | 112.1 | L66 S67 A68 A73 | L66-Q70 HydrophobicContact CB-CB 3.97Å; L66-Q70 HydrophobicContact CD2-CB 4.34Å; S67-Q70 WeakPolarHBondContact O-CB 3.36Å; S67-Q70 PolarHBondContact O-N 3.46Å; S67-Q70 WeakPolarHBondContact OG-CG 3.33Å; S67-Q70 PolarHBondContact OG-N 3.12Å; S67-Q70 PolarHBondContact OG-OE1 3.29Å; A68-Q70 VanDerWaalsContact C-N 3.33Å; A68-Q70 PolarHBondContact O-N 2.79Å; Q70-A73 PolarHBondContact O-N 3.36Å |
| 71 | Q | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -45 | 176 | -67.8 | -171.1 | 35.3 | 0 | 0 | 111.5 | I26 R63 L66 S67 A68 A73 L74 | I26-Q71 HydrophobicContact CB-CB 4.23Å; I26-Q71 HydrophobicContact CD1-CB 4Å; I26-Q71 HydrophobicContact CG1-CB 3.95Å; R63-Q71 PolarHBondContact O-NE2 3.35Å; L66-Q71 HydrophobicContact CB-CG 3.68Å; L66-Q71 HydrophobicContact CD1-CG 4.4Å; L66-Q71 PolarHBondContact O-NE2 2.95Å; S67-Q71 WeakPolarHBondContact O-CG 3.36Å; S67-Q71 PolarHBondContact O-N 3.44Å; A68-Q71 PolarHBondContact O-N 3.02Å; Q71-A73 VanDerWaalsContact C-N 3.27Å; Q71-A73 PolarHBondContact O-N 2.88Å; Q71-L74 WeakPolarHBondContact O-CB 3.42Å; Q71-L74 PolarHBondContact O-N 3.04Å |
| 72 | L | 98.4 | Very high | 96.9 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.3 | -27.7 | -179.9 | -67.5 | 167.7 | 0 | 0 | 0 | 112.6 | I49 R50 T53 A68 L74 L75 | I49-L72 HydrophobicContact CG2-CD2 4.08Å; R50-L72 HydrophobicContact CB-CD1 4.31Å; R50-L72 HydrophobicContact CB-CD2 4.14Å; R50-L72 HydrophobicContact CG-CD1 3.96Å; T53-L72 HydrophobicContact CG2-CG 4.35Å; A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 WeakPolarHBondContact O-CD1 3.15Å; A68-L72 WeakPolarHBondContact O-CG 3.36Å; A68-L72 PolarHBondContact O-N 3.36Å; L72-L74 PolarHBondContact O-N 2.97Å; L72-L75 PolarHBondContact O-N 3.1Å |
| 73 | A | 98.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 70% | 0.702 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | A69 Q70 Q71 | A69-A73 WeakPolarHBondContact O-CB 3.44Å; A69-A73 PolarHBondContact O-N 3.34Å; A69-A73 VanDerWaalsContact O-N 3.1Å; Q70-A73 PolarHBondContact O-N 3.36Å; Q71-A73 VanDerWaalsContact C-N 3.27Å; Q71-A73 PolarHBondContact O-N 2.88Å |
| 74 | L | 98.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 54.4 Ų | 54.4 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -6.3 | 176.4 | -61.5 | 171.8 | 0 | 0 | 0 | 113.2 | L6 I26 Y30 Q31 V32 L66 Q71 L72 | L6-L74 HydrophobicContact CD1-CD2 4.28Å; I26-L74 HydrophobicContact CB-CB 4.38Å; I26-L74 HydrophobicContact CG2-CB 4Å; Y30-L74 WeakPolarHBondContact O-CB 3.39Å; Q31-L74 HydrophobicContact CG-CD2 4.15Å; V32-L74 PolarHBondContact N-O 3.39Å; L66-L74 HydrophobicContact CD1-CD1 3.87Å; Q71-L74 WeakPolarHBondContact O-CB 3.42Å; Q71-L74 PolarHBondContact O-N 3.04Å; L72-L74 PolarHBondContact O-N 2.97Å |
| 75 | L | 98.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 52.5 Ų | 52.5 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.4 | -172.9 | -172.5 | 66.8 | 0 | 0 | 0 | 111.1 | A22 I26 V32 I46 I49 L72 | A22-L75 HydrophobicContact CB-CD1 4.04Å; I26-L75 HydrophobicContact CG2-CB 4.23Å; I26-L75 HydrophobicContact CG2-CD1 4.4Å; V32-L75 HydrophobicContact CB-CD1 3.83Å; V32-L75 HydrophobicContact CG1-CD1 3.71Å; V32-L75 WeakPolarHBondContact O-CA 3.36Å; I46-L75 HydrophobicContact CD1-CD1 4.23Å; I46-L75 HydrophobicContact CD1-CD2 3.42Å; I46-L75 VanDerWaalsContact CD1-CD2 3.42Å; I46-L75 HydrophobicContact CD1-CG 3.41Å; I46-L75 VanDerWaalsContact CD1-CG 3.41Å; I49-L75 HydrophobicContact CB-CD2 4.09Å; I49-L75 HydrophobicContact CD1-CD2 3.78Å; I49-L75 HydrophobicContact CG2-CD2 3.62Å; L72-L75 PolarHBondContact O-N 3.1Å |
| 76 | S | 98.4 | Very high | 97.7 | Very high | 44 Ų | 44 | 50.9 Ų | 50.9 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153.4 | 173.9 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | V32 K33 I34 Y78 | V32-S76 PolarHBondContact O-N 3.28Å; K33-S76 CarbonylContact C-O 3.19Å; K33-S76 WeakPolarHBondContact CA-O 3.47Å; I34-S76 PolarHBondContact N-O 3Å; S76-Y78 WeakPolarHBondContact OG-CE2 3.45Å |
| 77 | C | 97.7 | Very high | 97.7 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 37% | 0.372 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 148.4 | 179.8 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | I34 A42 I46 | I34-C77 HydrophobicContact CG2-CB 3.71Å; I34-C77 CarbonylContact O-C 3.53Å; I34-C77 VanDerWaalsContact O-CA 3.32Å; I34-C77 WeakPolarHBondContact O-CA 3.43Å; A42-C77 HydrophobicContact CB-CB 3.81Å; I46-C77 HydrophobicContact CD1-CB 4.04Å; I46-C77 HydrophobicContact CG1-CB 3.68Å |
| 78 | Y | 97.9 | Very high | 97.7 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 142.6 | -178 | -66 | -95.8 | 0 | 0 | 0 | 110.6 | K33 I34 Y35 S76 P83 A84 | K33-Y78 HydrophobicContact CB-CD2 3.89Å; K33-Y78 HydrophobicContact CB-CE2 3.73Å; K33-Y78 HydrophobicContact CD-CD2 4.34Å; K33-Y78 HydrophobicContact CD-CE2 3.65Å; K33-Y78 WeakPolarHBondContact CE-OH 3.36Å; K33-Y78 HydrophobicContact CG-CD2 4.24Å; K33-Y78 HydrophobicContact CG-CE2 3.56Å; I34-Y78 PolarHBondContact O-N 2.54Å; Y35-Y78 WeakPolarHBondContact CA-O 3.09Å; S76-Y78 WeakPolarHBondContact OG-CE2 3.45Å; Y78-P83 HydrophobicContact CD1-CB 3.86Å; Y78-P83 HydrophobicContact CD1-CG 4.05Å; Y78-P83 HydrophobicContact CE1-CB 3.98Å; Y78-A84 HydrophobicContact CD2-CB 4.28Å; Y78-A84 HydrophobicContact CG-CB 3.96Å |
| 79 | E | 95 | Very high | 97.7 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -101.1 | -15.5 | 173.1 | -58.9 | -166.2 | 151.2 | 0 | 0 | 112.4 | Y35 G40 | Y35-E79 VanDerWaalsContact CE2-O 3.26Å; Y35-E79 WeakPolarHBondContact CE2-O 3.3Å; G40-E79 PolarHBondContact N-OE1 3.32Å |
| 80 | D | 96.4 | Very high | 97.7 | Very high | 117 Ų | 117 | 49 Ų | 49 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -107 | 134.9 | 176.1 | -70.5 | -47.5 | 0 | 0 | 0 | 110.9 | P83 A84 | D80-P83 HydrophobicContact CB-CG 3.55Å; D80-P83 WeakPolarHBondContact O-CD 3.32Å; D80-P83 WeakPolarHBondContact O-CG 3.37Å; D80-A84 WeakPolarHBondContact O-CB 3.07Å; D80-A84 PolarHBondContact O-N 2.91Å |
| 81 | L | 96.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 12% | 0.12 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.6 | -42.1 | -173.1 | -176.4 | 62.7 | 0 | 0 | 0 | 112.7 | I12 Y35 A84 L85 E108 V109 F112 | I12-L81 HydrophobicContact CD1-CD1 4.25Å; Y35-L81 HydrophobicContact CD1-CD1 3.86Å; Y35-L81 HydrophobicContact CD2-CD1 4.5Å; Y35-L81 HydrophobicContact CE1-CB 4.49Å; Y35-L81 HydrophobicContact CE1-CD1 3.86Å; Y35-L81 HydrophobicContact CE2-CB 3.98Å; Y35-L81 HydrophobicContact CE2-CD1 4.48Å; Y35-L81 HydrophobicContact CG-CD1 4.2Å; L81-A84 WeakPolarHBondContact O-CB 3.49Å; L81-A84 PolarHBondContact O-N 2.99Å; L81-L85 HydrophobicContact CD1-CD1 3.77Å; L81-L85 HydrophobicContact CD1-CG 4.07Å; L81-L85 HydrophobicContact CD2-CD1 4.29Å; L81-L85 HydrophobicContact CG-CD1 3.66Å; L81-L85 HydrophobicContact CG-CG 4.34Å; L81-L85 WeakPolarHBondContact O-CG 3.37Å; L81-L85 PolarHBondContact O-N 3.03Å; L81-L85 VanDerWaalsContact O-N 3.08Å; L81-E108 HydrophobicContact CD2-CB 4.18Å; L81-E108 HydrophobicContact CD2-CG 3.52Å; L81-V109 HydrophobicContact CD1-CG2 4.39Å; L81-V109 HydrophobicContact CD2-CG2 4.43Å; L81-F112 HydrophobicContact CD2-CD2 4.1Å; L81-F112 HydrophobicContact CD2-CE2 4.19Å; L81-F112 HydrophobicContact CG-CD2 4.39Å |
| 82 | A | 97.6 | Very high | 97.8 | Very high | 46 Ų | 46 | 44.1 Ų | 44.1 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.2 | -53.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A84 L85 E86 F112 | A82-A84 VanDerWaalsContact C-N 3.26Å; A82-A84 PolarHBondContact O-N 3.06Å; A82-L85 PolarHBondContact O-N 3.34Å; A82-L85 VanDerWaalsContact O-N 3.16Å; A82-E86 PolarHBondContact O-N 2.74Å; A82-F112 HydrophobicContact CB-CD1 3.76Å; A82-F112 HydrophobicContact CB-CE1 3.77Å; A82-F112 HydrophobicContact CB-CG 4.41Å; A82-F112 HydrophobicContact CB-CZ 4.43Å |
| 83 | P | 97.6 | Very high | 97.8 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.8 | -27.6 | 177.1 | 26.3 | -34.9 | 0 | 0 | 0 | 113 | K33 Y78 D80 L85 E86 | K33-P83 PolarHBondContact NZ-O 2.72Å; Y78-P83 HydrophobicContact CD1-CB 3.86Å; Y78-P83 HydrophobicContact CD1-CG 4.05Å; Y78-P83 HydrophobicContact CE1-CB 3.98Å; D80-P83 HydrophobicContact CB-CG 3.55Å; D80-P83 WeakPolarHBondContact O-CD 3.32Å; D80-P83 WeakPolarHBondContact O-CG 3.37Å; P83-L85 VanDerWaalsContact C-N 3.28Å; P83-L85 PolarHBondContact O-N 2.78Å; P83-E86 PolarHBondContact O-N 3.41Å |
| 84 | A | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -30.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T10 K33 Y35 Y78 D80 L81 A82 | T10-A84 HydrophobicContact CG2-CB 4.2Å; T10-A84 VanDerWaalsContact CG2-O 3.25Å; T10-A84 WeakPolarHBondContact CG2-O 3.27Å; T10-A84 PolarHBondContact OG1-O 3.18Å; K33-A84 WeakPolarHBondContact CD-O 3.26Å; Y35-A84 HydrophobicContact CD2-CB 4.17Å; Y35-A84 HydrophobicContact CG-CB 4.24Å; Y78-A84 HydrophobicContact CD2-CB 4.28Å; Y78-A84 HydrophobicContact CG-CB 3.96Å; D80-A84 WeakPolarHBondContact O-CB 3.07Å; D80-A84 PolarHBondContact O-N 2.91Å; L81-A84 WeakPolarHBondContact O-CB 3.49Å; L81-A84 PolarHBondContact O-N 2.99Å; A82-A84 VanDerWaalsContact C-N 3.26Å; A82-A84 PolarHBondContact O-N 3.06Å |
| 85 | L | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -91.7 | -12.8 | -178.2 | -70.1 | 171.8 | 0 | 0 | 0 | 113.8 | T10 I12 L81 A82 P83 G87 A88 V91 V109 F112 V113 | T10-L85 HydrophobicContact CG2-CD2 3.97Å; I12-L85 HydrophobicContact CD1-CD2 4.45Å; L81-L85 HydrophobicContact CD1-CD1 3.77Å; L81-L85 HydrophobicContact CD1-CG 4.07Å; L81-L85 HydrophobicContact CD2-CD1 4.29Å; L81-L85 HydrophobicContact CG-CD1 3.66Å; L81-L85 HydrophobicContact CG-CG 4.34Å; L81-L85 WeakPolarHBondContact O-CG 3.37Å; L81-L85 PolarHBondContact O-N 3.03Å; L81-L85 VanDerWaalsContact O-N 3.08Å; A82-L85 PolarHBondContact O-N 3.34Å; A82-L85 VanDerWaalsContact O-N 3.16Å; P83-L85 VanDerWaalsContact C-N 3.28Å; P83-L85 PolarHBondContact O-N 2.78Å; L85-G87 PolarHBondContact O-N 3.26Å; L85-A88 VanDerWaalsContact O-CB 3.3Å; L85-A88 WeakPolarHBondContact O-CB 3.29Å; L85-A88 PolarHBondContact O-N 2.99Å; L85-A88 VanDerWaalsContact O-N 3.14Å; L85-V91 HydrophobicContact CD2-CG1 4.33Å; L85-V91 HydrophobicContact CD2-CG2 3.68Å; L85-V109 HydrophobicContact CD1-CB 4.34Å; L85-V109 HydrophobicContact CD1-CG1 4.12Å; L85-V109 HydrophobicContact CD1-CG2 4.23Å; L85-V109 HydrophobicContact CD2-CG1 4.05Å; L85-F112 HydrophobicContact CB-CB 4.47Å; L85-F112 HydrophobicContact CD1-CB 3.63Å; L85-F112 HydrophobicContact CD1-CD2 4.29Å; L85-F112 HydrophobicContact CD1-CG 4.32Å; L85-V113 HydrophobicContact CB-CG1 3.89Å; L85-V113 HydrophobicContact CD1-CG1 4.1Å; L85-V113 HydrophobicContact CD2-CG1 3.93Å; L85-V113 HydrophobicContact CG-CG1 4.2Å |
| 86 | E | 96.9 | Very high | 97.5 | Very high | 139 Ų | 139 | 46.7 Ų | 46.7 | 65% | 0.65 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 125.3 | -179.2 | -173.7 | -179.8 | -165 | 0 | 0 | 111.8 | K33 A82 P83 A88 | K33-E86 PolarHBondContact NZ-O 3.42Å; A82-E86 PolarHBondContact O-N 2.74Å; P83-E86 PolarHBondContact O-N 3.41Å; E86-A88 PolarHBondContact O-N 2.76Å |
| 87 | G | 96.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 67% | 0.67 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 3.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L85 | L85-G87 PolarHBondContact O-N 3.26Š|
| 88 | A | 98.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 134.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T8 T10 L85 E86 V91 V117 | T8-A88 WeakPolarHBondContact O-CA 3.34Å; T10-A88 WeakPolarHBondContact OG1-CB 3.44Å; L85-A88 VanDerWaalsContact O-CB 3.3Å; L85-A88 WeakPolarHBondContact O-CB 3.29Å; L85-A88 PolarHBondContact O-N 2.99Å; L85-A88 VanDerWaalsContact O-N 3.14Å; E86-A88 PolarHBondContact O-N 2.76Å; A88-V91 HydrophobicContact CB-CG2 4.37Å; A88-V117 WeakPolarHBondContact O-CG2 3.37Å |
| 89 | F | 98.1 | Very high | 97.3 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -18.1 | 166.7 | 83.5 | -80.9 | 0 | 0 | 0 | 112.1 | K7 T8 I9 Y30 I118 L175 | K7-F89 HydrophobicContact CB-CD1 3.66Å; K7-F89 HydrophobicContact CB-CE1 3.54Å; K7-F89 HydrophobicContact CB-CZ 4.4Å; K7-F89 HydrophobicContact CD-CD1 4.28Å; K7-F89 HydrophobicContact CD-CE1 4.22Å; K7-F89 HydrophobicContact CD-CZ 4.39Å; K7-F89 HydrophobicContact CG-CD1 4.35Å; K7-F89 HydrophobicContact CG-CE1 4.45Å; T8-F89 WeakPolarHBondContact O-CD1 3.41Å; T8-F89 PolarHBondContact O-N 3.14Å; I9-F89 HydrophobicContact CD1-CE1 4.09Å; I9-F89 HydrophobicContact CD1-CZ 4.1Å; I9-F89 HydrophobicContact CG1-CD1 4.38Å; I9-F89 HydrophobicContact CG1-CE1 3.49Å; I9-F89 VanDerWaalsContact CG1-CE1 3.49Å; I9-F89 HydrophobicContact CG1-CZ 3.94Å; Y30-F89 AromaticContact CD1-CE1 3.99Å; Y30-F89 HydrophobicContact CD1-CE1 3.99Å; Y30-F89 HydrophobicContact CD1-CZ 4.23Å; Y30-F89 HydrophobicContact CE1-CE1 4Å; Y30-F89 AromaticContact CE1-CZ 3.84Å; Y30-F89 HydrophobicContact CE1-CZ 3.84Å; F89-I118 PolarHBondContact O-N 3.38Å; F89-L175 HydrophobicContact CE2-CD2 4.34Å; F89-L175 HydrophobicContact CZ-CD1 4.16Å; F89-L175 HydrophobicContact CZ-CD2 4.15Å |
| 90 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 133.3 | -178.1 | -169.7 | -83.9 | 0 | 0 | 0 | 109.7 | I9 T10 F25 Q92 I118 A172 L175 M176 | I9-F90 WeakPolarHBondContact CA-O 3.38Å; I9-F90 HydrophobicContact CG1-CB 4.37Å; I9-F90 HydrophobicContact CG2-CD1 4.11Å; T10-F90 PolarHBondContact N-O 3.21Å; F25-F90 HydrophobicContact CZ-CE1 4.35Å; F90-Q92 HydrophobicContact CE1-CB 4.09Å; F90-Q92 VanDerWaalsContact CE1-OE1 3.26Å; F90-I118 HydrophobicContact CD2-CB 3.63Å; F90-I118 HydrophobicContact CD2-CD1 4.19Å; F90-I118 HydrophobicContact CD2-CG1 4.49Å; F90-I118 HydrophobicContact CD2-CG2 3.56Å; F90-I118 HydrophobicContact CE2-CB 4.13Å; F90-I118 HydrophobicContact CE2-CG2 3.5Å; F90-I118 HydrophobicContact CG-CB 4.43Å; F90-I118 HydrophobicContact CZ-CG2 4.5Å; F90-A172 HydrophobicContact CE2-CB 4.42Å; F90-L175 HydrophobicContact CB-CD2 4.29Å; F90-L175 HydrophobicContact CD1-CD2 4Å; F90-L175 HydrophobicContact CD2-CD2 3.66Å; F90-L175 HydrophobicContact CE1-CD2 4.19Å; F90-L175 HydrophobicContact CE2-CD2 3.9Å; F90-L175 HydrophobicContact CG-CD2 3.73Å; F90-L175 HydrophobicContact CZ-CD2 4.15Å; F90-M176 HydrophobicContact CE1-CE 4.42Å; F90-M176 HydrophobicContact CZ-CE 4.02Å |
| 91 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123.5 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | T10 I12 L85 A88 V109 V117 I118 L119 S120 | T10-V91 CarbonylContact O-C 3.59Å; T10-V91 WeakPolarHBondContact O-CA 3.21Å; I12-V91 HydrophobicContact CD1-CG1 3.4Å; I12-V91 HydrophobicContact CG1-CG1 3.97Å; L85-V91 HydrophobicContact CD2-CG1 4.33Å; L85-V91 HydrophobicContact CD2-CG2 3.68Å; A88-V91 HydrophobicContact CB-CG2 4.37Å; V91-V109 HydrophobicContact CG1-CG1 4.33Å; V91-V109 HydrophobicContact CG2-CG1 4.37Å; V91-V117 HydrophobicContact CG2-CG1 3.8Å; V91-I118 PolarHBondContact N-O 2.75Å; V91-L119 HydrophobicContact CB-CD2 4.09Å; V91-L119 HydrophobicContact CG2-CD2 4.21Å; V91-S120 WeakPolarHBondContact O-CA 3.41Å; V91-S120 WeakPolarHBondContact O-CB 3.25Å; V91-S120 PolarHBondContact O-N 3.17Å |
| 92 | Q | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 107.6 | 175.9 | -171.1 | 65.8 | 40 | 0 | 0 | 110.1 | T10 V11 I12 W21 F25 F90 S120 S122 S144 | T10-Q92 PolarHBondContact O-N 3.27Å; V11-Q92 WeakPolarHBondContact CA-O 3.42Å; I12-Q92 PolarHBondContact N-O 2.97Å; W21-Q92 HydrophobicContact CD2-CG 4.2Å; W21-Q92 HydrophobicContact CG-CG 3.91Å; F25-Q92 HydrophobicContact CE2-CB 4.26Å; F25-Q92 HydrophobicContact CE2-CG 4.5Å; F90-Q92 HydrophobicContact CE1-CB 4.09Å; F90-Q92 VanDerWaalsContact CE1-OE1 3.26Å; Q92-S120 WeakPolarHBondContact CA-O 3.21Å; Q92-S120 VanDerWaalsContact OE1-CB 3.28Å; Q92-S120 PolarHBondContact OE1-OG 3.49Å; Q92-S122 PolarHBondContact NE2-OG 3.33Å; Q92-S144 PolarHBondContact NE2-O 2.88Å |
| 93 | E | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 131.2 | 176.3 | 178 | -79.6 | 121.6 | 0 | 0 | 111.1 | V95 K102 V105 F106 S120 S121 S122 | E93-V95 HydrophobicContact CG-CG2 4.08Å; E93-V95 WeakPolarHBondContact OE1-CA 3.39Å; E93-V95 WeakPolarHBondContact OE1-CG2 3.37Å; E93-V95 PolarHBondContact OE1-N 3.04Å; E93-K102 IonicContact OE1-NZ 3.98Å; E93-K102 PolarHBondContact OE1-NZ 3.22Å; E93-K102 IonicContact OE2-NZ 3.6Å; E93-K102 PolarHBondContact OE2-NZ 3.43Å; E93-V105 HydrophobicContact CG-CG1 4.1Å; E93-F106 HydrophobicContact CB-CE1 3.97Å; E93-F106 HydrophobicContact CB-CE2 4.07Å; E93-F106 HydrophobicContact CB-CZ 3.42Å; E93-F106 VanDerWaalsContact CB-CZ 3.42Å; E93-F106 HydrophobicContact CG-CE2 4.01Å; E93-F106 HydrophobicContact CG-CZ 3.89Å; E93-S120 PolarHBondContact N-O 3.3Å; E93-S121 WeakPolarHBondContact OE2-CB 3.34Å; E93-S121 PolarHBondContact OE2-OG 3.35Å; E93-S122 WeakPolarHBondContact O-CB 3.14Å; E93-S122 PolarHBondContact O-N 3.42Å; E93-S122 PolarHBondContact O-OG 3.02Å |
| 94 | C | 98.2 | Very high | 97.7 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 10% | 0.101 | 25% | 0.247 | C | C | . | . | trans | -139.7 | 26.2 | -173.3 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | I12 I17 W21 S122 | I12-C94 CarbonylContact O-C 3.58Å; I12-C94 WeakPolarHBondContact O-CA 3.34Å; I12-C94 WeakPolarHBondContact O-CB 3.49Å; I12-C94 PolarHBondContact O-N 2.9Å; I17-C94 HydrophobicContact CG2-CB 4.44Å; W21-C94 VanDerWaalsContact CD1-SG 3.57Å; C94-S122 PolarHBondContact SG-OG 2.69Å | ||
| 95 | V | 97.3 | Very high | 97.7 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | trans | -77.5 | 177.5 | 176 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | I12 E93 V101 K102 V105 | I12-V95 HydrophobicContact CG2-CG1 3.91Å; E93-V95 HydrophobicContact CG-CG2 4.08Å; E93-V95 WeakPolarHBondContact OE1-CA 3.39Å; E93-V95 WeakPolarHBondContact OE1-CG2 3.37Å; E93-V95 PolarHBondContact OE1-N 3.04Å; V95-V101 HydrophobicContact CG2-CG1 3.96Å; V95-K102 HydrophobicContact CG2-CG 3.99Å; V95-K102 PolarHBondContact O-NZ 3.47Å; V95-V105 HydrophobicContact CG1-CG2 4.27Å; V95-V105 HydrophobicContact CG2-CG2 4.15Å | ||
| 96 | F | 94.1 | Very high | 97.7 | Very high | 154 Ų | 154 | 47.2 Ų | 47.2 | 68% | 0.675 | 25% | 0.254 | S | S | * | . | trans | -51.2 | 147.7 | -178.8 | -61.1 | -69.8 | 0 | 0 | 0 | 113.1 | Q98 K102 | F96-Q98 PolarHBondContact O-N 2.58Å; F96-K102 WeakPolarHBondContact O-CE 3.38Å | ||
| 97 | E | 95.6 | Very high | 97.7 | Very high | 78 Ų | 78 | 44.2 Ų | 44.2 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -77 | 60.7 | 179.3 | -160 | 74.5 | 162.1 | 0 | 0 | 111.4 | K102 T123 S124 | E97-K102 WeakPolarHBondContact OE2-CE 3.3Å; E97-K102 IonicContact OE2-NZ 3.48Å; E97-K102 PolarHBondContact OE2-NZ 3.09Å; E97-T123 VanDerWaalsContact CD-OG1 3.3Å; E97-T123 WeakPolarHBondContact OE1-CA 3.2Å; E97-T123 PolarHBondContact OE1-OG1 3.16Å; E97-T123 WeakPolarHBondContact OE2-CA 3.4Å; E97-T123 PolarHBondContact OE2-OG1 3.25Å; E97-S124 PolarHBondContact OE1-N 3.36Å; E97-S124 PolarHBondContact OE1-OG 3.41Å |
| 98 | Q | 97 | Very high | 97.8 | Very high | 106 Ų | 106 | 44.7 Ų | 44.7 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | trans | -128.8 | 125.7 | 176.8 | -66.3 | -179.3 | 35.6 | 0 | 0 | 108.5 | F96 E100 V101 K102 | F96-Q98 PolarHBondContact O-N 2.58Å; Q98-E100 PolarHBondContact O-N 3.48Å; Q98-V101 HydrophobicContact CB-CB 4.12Å; Q98-V101 HydrophobicContact CB-CG2 3.73Å; Q98-V101 PolarHBondContact O-N 2.82Å; Q98-K102 PolarHBondContact O-N 3.47Å; Q98-K102 VanDerWaalsContact O-N 3.09Å | ||
| 99 | L | 97.6 | Very high | 97.8 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | -171.4 | 178.4 | 60.8 | 0 | 0 | 0 | 111.8 | V101 K102 Q103 L126 V131 | L99-V101 VanDerWaalsContact C-N 3.3Å; L99-V101 PolarHBondContact O-N 3.1Å; L99-K102 PolarHBondContact O-N 3.13Å; L99-Q103 HydrophobicContact CD1-CG 4.15Å; L99-Q103 HydrophobicContact CG-CG 4.41Å; L99-Q103 WeakPolarHBondContact O-CB 3.48Å; L99-Q103 VanDerWaalsContact O-CG 3.32Å; L99-Q103 WeakPolarHBondContact O-CG 3.46Å; L99-Q103 PolarHBondContact O-N 3.48Å; L99-L126 HydrophobicContact CB-CD1 4.22Å; L99-L126 HydrophobicContact CD1-CD1 4.34Å; L99-V131 HydrophobicContact CD1-CG2 4.33Å |
| 100 | E | 97.9 | Very high | 97.8 | Very high | 124 Ų | 124 | 43 Ų | 43 | 58% | 0.579 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -63.8 | -38.7 | -177.2 | -64.7 | 69.4 | -152.6 | 0 | 0 | 111.3 | Q98 S104 | Q98-E100 PolarHBondContact O-N 3.48Å; E100-S104 WeakPolarHBondContact O-CB 3.38Å; E100-S104 PolarHBondContact O-N 3.07Å |
| 101 | V | 97.7 | Very high | 97.7 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 30% | 0.297 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.1 | -49.5 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | V95 Q98 L99 Q103 S104 V105 | V95-V101 HydrophobicContact CG2-CG1 3.96Å; Q98-V101 HydrophobicContact CB-CB 4.12Å; Q98-V101 HydrophobicContact CB-CG2 3.73Å; Q98-V101 PolarHBondContact O-N 2.82Å; L99-V101 VanDerWaalsContact C-N 3.3Å; L99-V101 PolarHBondContact O-N 3.1Å; V101-Q103 PolarHBondContact O-N 2.85Å; V101-S104 WeakPolarHBondContact O-CB 3.46Å; V101-S104 PolarHBondContact O-N 3.03Å; V101-V105 WeakPolarHBondContact O-CG2 3.48Å; V101-V105 PolarHBondContact O-N 3.32Å |
| 102 | K | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 179.1 | -68.2 | -177 | -177.5 | -69 | 0 | 112.2 | E93 V95 F96 E97 Q98 L99 S104 V105 F106 L126 V131 | E93-K102 IonicContact OE1-NZ 3.98Å; E93-K102 PolarHBondContact OE1-NZ 3.22Å; E93-K102 IonicContact OE2-NZ 3.6Å; E93-K102 PolarHBondContact OE2-NZ 3.43Å; V95-K102 HydrophobicContact CG2-CG 3.99Å; V95-K102 PolarHBondContact O-NZ 3.47Å; F96-K102 WeakPolarHBondContact O-CE 3.38Å; E97-K102 WeakPolarHBondContact OE2-CE 3.3Å; E97-K102 IonicContact OE2-NZ 3.48Å; E97-K102 PolarHBondContact OE2-NZ 3.09Å; Q98-K102 PolarHBondContact O-N 3.47Å; Q98-K102 VanDerWaalsContact O-N 3.09Å; L99-K102 PolarHBondContact O-N 3.13Å; K102-S104 VanDerWaalsContact C-N 3.3Å; K102-S104 PolarHBondContact O-N 3.38Å; K102-V105 PolarHBondContact O-N 2.9Å; K102-F106 VanDerWaalsContact O-CD2 3.24Å; K102-F106 WeakPolarHBondContact O-CD2 3.34Å; K102-F106 PolarHBondContact O-N 3.41Å; K102-L126 HydrophobicContact CD-CD1 4.09Å; K102-V131 HydrophobicContact CB-CG1 4.29Å |
| 103 | Q | 98.6 | Very high | 97.6 | Very high | 26 Ų | 26 | 56.3 Ų | 56.3 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 175.9 | -75.6 | 179.1 | -5 | 0 | 0 | 112.1 | L99 V101 Q107 S130 V131 K134 | L99-Q103 HydrophobicContact CD1-CG 4.15Å; L99-Q103 HydrophobicContact CG-CG 4.41Å; L99-Q103 WeakPolarHBondContact O-CB 3.48Å; L99-Q103 VanDerWaalsContact O-CG 3.32Å; L99-Q103 WeakPolarHBondContact O-CG 3.46Å; L99-Q103 PolarHBondContact O-N 3.48Å; V101-Q103 PolarHBondContact O-N 2.85Å; Q103-Q107 WeakPolarHBondContact O-CB 3.46Å; Q103-Q107 PolarHBondContact O-N 3.46Å; Q103-S130 PolarHBondContact NE2-O 3.01Å; Q103-V131 WeakPolarHBondContact CG-O 3.47Å; Q103-K134 HydrophobicContact CB-CD 3.97Å; Q103-K134 HydrophobicContact CB-CG 4.23Å; Q103-K134 VanDerWaalsContact OE1-CE 3.27Å |
| 104 | S | 98 | Very high | 97.4 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 46% | 0.462 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 176.7 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | E100 V101 K102 F106 Q107 E108 | E100-S104 WeakPolarHBondContact O-CB 3.38Å; E100-S104 PolarHBondContact O-N 3.07Å; V101-S104 WeakPolarHBondContact O-CB 3.46Å; V101-S104 PolarHBondContact O-N 3.03Å; K102-S104 VanDerWaalsContact C-N 3.3Å; K102-S104 PolarHBondContact O-N 3.38Å; S104-F106 PolarHBondContact O-N 2.83Å; S104-Q107 PolarHBondContact O-N 2.97Å; S104-E108 PolarHBondContact O-N 2.84Å |
| 105 | V | 98.4 | Very high | 97.2 | Very high | 29 Ų | 29 | 65.4 Ų | 65.4 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.8 | -49.7 | 177 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | I12 E93 V95 V101 K102 Q107 E108 V109 | I12-V105 HydrophobicContact CD1-CG1 4.23Å; I12-V105 HydrophobicContact CG2-CG1 3.81Å; E93-V105 HydrophobicContact CG-CG1 4.1Å; V95-V105 HydrophobicContact CG1-CG2 4.27Å; V95-V105 HydrophobicContact CG2-CG2 4.15Å; V101-V105 WeakPolarHBondContact O-CG2 3.48Å; V101-V105 PolarHBondContact O-N 3.32Å; K102-V105 PolarHBondContact O-N 2.9Å; V105-Q107 VanDerWaalsContact C-N 3.35Å; V105-Q107 PolarHBondContact O-N 3Å; V105-E108 PolarHBondContact O-N 2.88Å; V105-V109 HydrophobicContact CG1-CG2 4.16Å; V105-V109 WeakPolarHBondContact O-CB 3.47Å; V105-V109 WeakPolarHBondContact O-CG2 3.49Å; V105-V109 PolarHBondContact O-N 3.28Å |
| 106 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.7 | -34.3 | -179 | -76 | -62.6 | 0 | 0 | 0 | 113.3 | E93 K102 S104 E108 E110 L119 V131 F132 V135 | E93-F106 HydrophobicContact CB-CE1 3.97Å; E93-F106 HydrophobicContact CB-CE2 4.07Å; E93-F106 HydrophobicContact CB-CZ 3.42Å; E93-F106 VanDerWaalsContact CB-CZ 3.42Å; E93-F106 HydrophobicContact CG-CE2 4.01Å; E93-F106 HydrophobicContact CG-CZ 3.89Å; K102-F106 VanDerWaalsContact O-CD2 3.24Å; K102-F106 WeakPolarHBondContact O-CD2 3.34Å; K102-F106 PolarHBondContact O-N 3.41Å; S104-F106 PolarHBondContact O-N 2.83Å; F106-E108 VanDerWaalsContact C-N 3.32Å; F106-E110 WeakPolarHBondContact O-CB 3.47Å; F106-E110 PolarHBondContact O-N 2.87Å; F106-L119 HydrophobicContact CD1-CB 4.13Å; F106-L119 HydrophobicContact CD1-CD1 4.33Å; F106-L119 HydrophobicContact CE1-CB 4.01Å; F106-V131 HydrophobicContact CD2-CG1 3.85Å; F106-V131 HydrophobicContact CE2-CG1 3.57Å; F106-F132 HydrophobicContact CD1-CD1 4.33Å; F106-F132 AromaticContact CD1-CE1 3.9Å; F106-F132 HydrophobicContact CD1-CE1 3.9Å; F106-F132 AromaticContact CD2-CD1 3.95Å; F106-F132 HydrophobicContact CD2-CD1 3.95Å; F106-F132 AromaticContact CD2-CE1 3.73Å; F106-F132 HydrophobicContact CD2-CE1 3.73Å; F106-F132 AromaticContact CE1-CE1 3.69Å; F106-F132 HydrophobicContact CE1-CE1 3.69Å; F106-F132 HydrophobicContact CE2-CD1 4.18Å; F106-F132 AromaticContact CE2-CE1 3.5Å; F106-F132 HydrophobicContact CE2-CE1 3.5Å; F106-F132 HydrophobicContact CE2-CZ 4.15Å; F106-F132 HydrophobicContact CG-CD1 4.04Å; F106-F132 AromaticContact CG-CE1 3.93Å; F106-F132 HydrophobicContact CG-CE1 3.93Å; F106-F132 HydrophobicContact CZ-CD1 4.45Å; F106-F132 AromaticContact CZ-CE1 3.47Å; F106-F132 HydrophobicContact CZ-CE1 3.47Å; F106-F132 VanDerWaalsContact CZ-CE1 3.47Å; F106-F132 HydrophobicContact CZ-CZ 4.04Å; F106-V135 HydrophobicContact CB-CG2 3.57Å; F106-V135 HydrophobicContact CG-CG2 4.44Å |
| 107 | Q | 97.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 61.7 Ų | 61.7 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 172.9 | -177.7 | 175.8 | 37.4 | 0 | 0 | 111.7 | Q103 S104 V105 K134 | Q103-Q107 WeakPolarHBondContact O-CB 3.46Å; Q103-Q107 PolarHBondContact O-N 3.46Å; S104-Q107 PolarHBondContact O-N 2.97Å; V105-Q107 VanDerWaalsContact C-N 3.35Å; V105-Q107 PolarHBondContact O-N 3Å; Q107-K134 HydrophobicContact CB-CB 4.16Å |
| 108 | E | 97.8 | Very high | 97.5 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.5 | -46.7 | 177.9 | -167.1 | 74.1 | 178.8 | 0 | 0 | 111.2 | L81 S104 V105 F106 E110 R111 F112 | L81-E108 HydrophobicContact CD2-CB 4.18Å; L81-E108 HydrophobicContact CD2-CG 3.52Å; S104-E108 PolarHBondContact O-N 2.84Å; V105-E108 PolarHBondContact O-N 2.88Å; F106-E108 VanDerWaalsContact C-N 3.32Å; E108-E110 VanDerWaalsContact C-N 3.33Å; E108-E110 PolarHBondContact O-N 2.98Å; E108-R111 WeakPolarHBondContact O-CB 3.19Å; E108-R111 PolarHBondContact O-N 2.86Å; E108-R111 VanDerWaalsContact O-N 3.15Å; E108-R111 IonicContact OE2-CZ 3.51Å; E108-R111 IonicContact OE2-NH1 2.76Å; E108-R111 PolarHBondContact OE2-NH1 2.85Å; E108-F112 HydrophobicContact CG-CE2 4.14Å; E108-F112 VanDerWaalsContact O-CD2 3.29Å; E108-F112 WeakPolarHBondContact O-CD2 3.39Å |
| 109 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.9 | -44.7 | 178.5 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | I12 L81 L85 V91 V105 R111 F112 V113 L119 | I12-V109 HydrophobicContact CD1-CG2 3.25Å; L81-V109 HydrophobicContact CD1-CG2 4.39Å; L81-V109 HydrophobicContact CD2-CG2 4.43Å; L85-V109 HydrophobicContact CD1-CB 4.34Å; L85-V109 HydrophobicContact CD1-CG1 4.12Å; L85-V109 HydrophobicContact CD1-CG2 4.23Å; L85-V109 HydrophobicContact CD2-CG1 4.05Å; V91-V109 HydrophobicContact CG1-CG1 4.33Å; V91-V109 HydrophobicContact CG2-CG1 4.37Å; V105-V109 HydrophobicContact CG1-CG2 4.16Å; V105-V109 WeakPolarHBondContact O-CB 3.47Å; V105-V109 WeakPolarHBondContact O-CG2 3.49Å; V105-V109 PolarHBondContact O-N 3.28Å; V109-R111 PolarHBondContact O-N 3.42Å; V109-R111 VanDerWaalsContact O-N 3.12Å; V109-F112 PolarHBondContact O-N 3.16Å; V109-V113 HydrophobicContact CG1-CG1 4.31Å; V109-V113 HydrophobicContact CG1-CG2 4.16Å; V109-V113 WeakPolarHBondContact O-CG2 3.35Å; V109-V113 PolarHBondContact O-N 2.78Å; V109-L119 HydrophobicContact CG1-CD2 3.7Å |
| 110 | E | 97.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.6 | -28 | -178.8 | 175.4 | 166.3 | -115.6 | 0 | 0 | 113.2 | F106 E108 F112 V135 Q136 E137 R140 | F106-E110 WeakPolarHBondContact O-CB 3.47Å; F106-E110 PolarHBondContact O-N 2.87Å; E108-E110 VanDerWaalsContact C-N 3.33Å; E108-E110 PolarHBondContact O-N 2.98Å; E110-F112 VanDerWaalsContact C-N 3.27Å; E110-F112 PolarHBondContact O-N 3.44Å; E110-V135 WeakPolarHBondContact OE1-CG1 3.35Å; E110-V135 WeakPolarHBondContact OE2-CA 3.45Å; E110-Q136 PolarHBondContact OE1-N 3.12Å; E110-Q136 PolarHBondContact OE2-N 2.88Å; E110-E137 PolarHBondContact OE1-N 2.84Å; E110-R140 IonicContact OE1-NH2 3.41Å; E110-R140 PolarHBondContact OE1-NH2 3.43Å |
| 111 | R | 96.9 | Very high | 97.7 | Very high | 164 Ų | 164 | 45.6 Ų | 45.6 | 62% | 0.619 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -69.3 | -25.8 | 177.7 | -62.1 | 170.3 | 177.2 | 176.8 | -6.9 | 113.1 | E108 V109 | E108-R111 WeakPolarHBondContact O-CB 3.19Å; E108-R111 PolarHBondContact O-N 2.86Å; E108-R111 VanDerWaalsContact O-N 3.15Å; E108-R111 IonicContact OE2-CZ 3.51Å; E108-R111 IonicContact OE2-NH1 2.76Å; E108-R111 PolarHBondContact OE2-NH1 2.85Å; V109-R111 PolarHBondContact O-N 3.42Å; V109-R111 VanDerWaalsContact O-N 3.12Å |
| 112 | F | 97.5 | Very high | 97.7 | Very high | 98 Ų | 98 | 43.9 Ų | 43.9 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -103.9 | -12.8 | -173.3 | -66.9 | -68.7 | 0 | 0 | 0 | 113.7 | L81 A82 L85 E108 V109 E110 | L81-F112 HydrophobicContact CD2-CD2 4.1Å; L81-F112 HydrophobicContact CD2-CE2 4.19Å; L81-F112 HydrophobicContact CG-CD2 4.39Å; A82-F112 HydrophobicContact CB-CD1 3.76Å; A82-F112 HydrophobicContact CB-CE1 3.77Å; A82-F112 HydrophobicContact CB-CG 4.41Å; A82-F112 HydrophobicContact CB-CZ 4.43Å; L85-F112 HydrophobicContact CB-CB 4.47Å; L85-F112 HydrophobicContact CD1-CB 3.63Å; L85-F112 HydrophobicContact CD1-CD2 4.29Å; L85-F112 HydrophobicContact CD1-CG 4.32Å; E108-F112 HydrophobicContact CG-CE2 4.14Å; E108-F112 VanDerWaalsContact O-CD2 3.29Å; E108-F112 WeakPolarHBondContact O-CD2 3.39Å; V109-F112 PolarHBondContact O-N 3.16Å; E110-F112 VanDerWaalsContact C-N 3.27Å; E110-F112 PolarHBondContact O-N 3.44Å |
| 113 | V | 97.6 | Very high | 97.7 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -115.3 | 144.2 | -176.7 | -59.4 | 0 | 0 | 0 | 0 | 113 | L85 V109 V117 L119 | L85-V113 HydrophobicContact CB-CG1 3.89Å; L85-V113 HydrophobicContact CD1-CG1 4.1Å; L85-V113 HydrophobicContact CD2-CG1 3.93Å; L85-V113 HydrophobicContact CG-CG1 4.2Å; V109-V113 HydrophobicContact CG1-CG1 4.31Å; V109-V113 HydrophobicContact CG1-CG2 4.16Å; V109-V113 WeakPolarHBondContact O-CG2 3.35Å; V109-V113 PolarHBondContact O-N 2.78Å; V113-V117 HydrophobicContact CB-CB 3.94Å; V113-V117 HydrophobicContact CB-CG1 4.19Å; V113-V117 HydrophobicContact CB-CG2 3.85Å; V113-V117 HydrophobicContact CG1-CG1 4.3Å; V113-V117 HydrophobicContact CG1-CG2 4.47Å; V113-V117 HydrophobicContact CG2-CB 4.08Å; V113-V117 HydrophobicContact CG2-CG1 4.34Å; V113-V117 HydrophobicContact CG2-CG2 4.5Å; V113-L119 HydrophobicContact CG2-CD2 4.23Å |
| 114 | G | 94.8 | Very high | 97.4 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | trans | -65.4 | 161.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A116 V117 R140 | G114-A116 PolarHBondContact O-N 2.83Å; G114-A116 VanDerWaalsContact O-N 3.08Å; G114-V117 WeakPolarHBondContact O-CG2 3.05Å; G114-V117 PolarHBondContact O-N 2.89Å; G114-V117 VanDerWaalsContact O-N 3.12Å; G114-R140 PolarHBondContact O-NH1 2.72Å | ||
| 115 | K | 94.8 | Very high | 97.1 | Very high | 157 Ų | 157 | 43.5 Ų | 43.5 | 68% | 0.683 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.2 | -177.2 | -63.4 | -170.3 | 174.8 | -160.5 | 0 | 115.1 | E137 R140 | K115-E137 IonicContact NZ-OE2 2.93Å; K115-R140 WeakPolarHBondContact O-CD 3.34Å |
| 116 | A | 94.8 | Very high | 97 | Very high | 95 Ų | 95 | 44 Ų | 44 | 79% | 0.785 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -12.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G114 | G114-A116 PolarHBondContact O-N 2.83Å; G114-A116 VanDerWaalsContact O-N 3.08Å |
| 117 | V | 98.3 | Very high | 97 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -77.3 | 125.1 | -177.7 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | A88 V91 V113 G114 L119 R140 | A88-V117 WeakPolarHBondContact O-CG2 3.37Å; V91-V117 HydrophobicContact CG2-CG1 3.8Å; V113-V117 HydrophobicContact CB-CB 3.94Å; V113-V117 HydrophobicContact CB-CG1 4.19Å; V113-V117 HydrophobicContact CB-CG2 3.85Å; V113-V117 HydrophobicContact CG1-CG1 4.3Å; V113-V117 HydrophobicContact CG1-CG2 4.47Å; V113-V117 HydrophobicContact CG2-CB 4.08Å; V113-V117 HydrophobicContact CG2-CG1 4.34Å; V113-V117 HydrophobicContact CG2-CG2 4.5Å; G114-V117 WeakPolarHBondContact O-CG2 3.05Å; G114-V117 PolarHBondContact O-N 2.89Å; G114-V117 VanDerWaalsContact O-N 3.12Å; V117-L119 HydrophobicContact CG1-CD2 4.48Å; V117-R140 WeakPolarHBondContact O-CD 3.37Å; V117-R140 WeakPolarHBondContact O-CG 3.45Å; V117-R140 PolarHBondContact O-NH1 2.98Å |
| 118 | I | 98.8 | Very high | 97 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 131.2 | 177.9 | -63.3 | 173.4 | 0 | 0 | 0 | 109.4 | F89 F90 V91 L142 V168 A171 | F89-I118 PolarHBondContact O-N 3.38Å; F90-I118 HydrophobicContact CD2-CB 3.63Å; F90-I118 HydrophobicContact CD2-CD1 4.19Å; F90-I118 HydrophobicContact CD2-CG1 4.49Å; F90-I118 HydrophobicContact CD2-CG2 3.56Å; F90-I118 HydrophobicContact CE2-CB 4.13Å; F90-I118 HydrophobicContact CE2-CG2 3.5Å; F90-I118 HydrophobicContact CG-CB 4.43Å; F90-I118 HydrophobicContact CZ-CG2 4.5Å; V91-I118 PolarHBondContact N-O 2.75Å; I118-L142 HydrophobicContact CG2-CD2 3.29Å; I118-V168 HydrophobicContact CD1-CG1 4.33Å; I118-V168 HydrophobicContact CG1-CG1 4.2Å; I118-V168 HydrophobicContact CG1-CG2 4.48Å; I118-V168 HydrophobicContact CG2-CG1 4.02Å; I118-A171 HydrophobicContact CD1-CB 3.74Å |
| 119 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 114.6 | 178.3 | -57.9 | -176 | 0 | 0 | 0 | 109.3 | V91 F106 V109 V113 V117 V135 R140 C141 L142 | V91-L119 HydrophobicContact CB-CD2 4.09Å; V91-L119 HydrophobicContact CG2-CD2 4.21Å; F106-L119 HydrophobicContact CD1-CB 4.13Å; F106-L119 HydrophobicContact CD1-CD1 4.33Å; F106-L119 HydrophobicContact CE1-CB 4.01Å; V109-L119 HydrophobicContact CG1-CD2 3.7Å; V113-L119 HydrophobicContact CG2-CD2 4.23Å; V117-L119 HydrophobicContact CG1-CD2 4.48Å; L119-V135 HydrophobicContact CD1-CG1 4.11Å; L119-R140 HydrophobicContact CG-CG 4.42Å; L119-R140 PolarHBondContact N-O 2.66Å; L119-C141 CarbonylContact O-C 3.55Å; L119-C141 VanDerWaalsContact O-CA 3.29Å; L119-C141 WeakPolarHBondContact O-CA 3.45Å; L119-L142 PolarHBondContact O-N 3.36Å |
| 120 | S | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.2 | -174.3 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | V91 Q92 E93 L142 S144 | V91-S120 WeakPolarHBondContact O-CA 3.41Å; V91-S120 WeakPolarHBondContact O-CB 3.25Å; V91-S120 PolarHBondContact O-N 3.17Å; Q92-S120 WeakPolarHBondContact CA-O 3.21Å; Q92-S120 VanDerWaalsContact OE1-CB 3.28Å; Q92-S120 PolarHBondContact OE1-OG 3.49Å; E93-S120 PolarHBondContact N-O 3.3Å; S120-L142 VanDerWaalsContact CA-O 3.25Å; S120-L142 WeakPolarHBondContact CA-O 3.37Å; S120-S144 WeakPolarHBondContact OG-CB 3.29Å; S120-S144 PolarHBondContact OG-OG 3.48Å |
| 121 | S | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 145.9 | 173 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | E93 T123 L142 V143 S144 | E93-S121 WeakPolarHBondContact OE2-CB 3.34Å; E93-S121 PolarHBondContact OE2-OG 3.35Å; S121-T123 VanDerWaalsContact C-N 3.34Å; S121-T123 PolarHBondContact OG-N 3.08Å; S121-L142 PolarHBondContact N-O 3.01Å; S121-L142 VanDerWaalsContact N-O 3.08Å; S121-V143 WeakPolarHBondContact O-CA 3.37Å; S121-S144 CarbonylContact O-C 3.51Å; S121-S144 PolarHBondContact O-N 3.36Å |
| 122 | S | 98.5 | Very high | 97.1 | Very high | 13 Ų | 13 | 33 Ų | 33 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | trans | -90.8 | 10.5 | 170.7 | -48.5 | 0 | 0 | 0 | 0 | 113.6 | W21 Q92 E93 C94 | W21-S122 PolarHBondContact NE1-OG 2.84Å; Q92-S122 PolarHBondContact NE2-OG 3.33Å; E93-S122 WeakPolarHBondContact O-CB 3.14Å; E93-S122 PolarHBondContact O-N 3.42Å; E93-S122 PolarHBondContact O-OG 3.02Å; C94-S122 PolarHBondContact SG-OG 2.69Å | ||
| 123 | T | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -52.6 | 146.9 | 179.8 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | E97 S121 L126 V131 V143 H145 F193 | E97-T123 VanDerWaalsContact CD-OG1 3.3Å; E97-T123 WeakPolarHBondContact OE1-CA 3.2Å; E97-T123 PolarHBondContact OE1-OG1 3.16Å; E97-T123 WeakPolarHBondContact OE2-CA 3.4Å; E97-T123 PolarHBondContact OE2-OG1 3.25Å; S121-T123 VanDerWaalsContact C-N 3.34Å; S121-T123 PolarHBondContact OG-N 3.08Å; T123-L126 HydrophobicContact CG2-CB 4.29Å; T123-L126 VanDerWaalsContact CG2-O 3.28Å; T123-L126 WeakPolarHBondContact CG2-O 3.36Å; T123-L126 VanDerWaalsContact OG1-CB 3.28Å; T123-L126 WeakPolarHBondContact OG1-CB 3.43Å; T123-L126 WeakPolarHBondContact OG1-CG 3.37Å; T123-L126 PolarHBondContact OG1-N 3.38Å; T123-L126 VanDerWaalsContact OG1-N 3.13Å; T123-V131 HydrophobicContact CG2-CG2 4.25Å; T123-V143 HydrophobicContact CG2-CB 4.36Å; T123-V143 HydrophobicContact CG2-CG1 3.8Å; T123-V143 HydrophobicContact CG2-CG2 3.58Å; T123-H145 WeakPolarHBondContact O-CB 3.47Å; T123-F193 HydrophobicContact CG2-CE2 4.47Å; T123-F193 HydrophobicContact CG2-CZ 4.28Å; T123-F193 WeakPolarHBondContact O-CE2 3.48Å | ||
| 124 | S | 93.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 34 Ų | 34 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -99.6 | -20.6 | -176.5 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | E97 N196 | E97-S124 PolarHBondContact OE1-N 3.36Å; E97-S124 PolarHBondContact OE1-OG 3.41Å; S124-N196 PolarHBondContact O-ND2 3.31Å |
| 125 | C | 91.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 31.7 Ų | 31.7 | 29% | 0.291 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -141.4 | -27.6 | -177 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | V127 | C125-V127 PolarHBondContact O-N 2.92Š|
| 126 | L | 96.6 | Very high | 97.5 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 20% | 0.204 | 20% | 0.196 | C | C | . | . | trans | -71.2 | 125.2 | -174.8 | -55.7 | 173.8 | 0 | 0 | 0 | 110 | L99 K102 T123 V131 F193 | L99-L126 HydrophobicContact CB-CD1 4.22Å; L99-L126 HydrophobicContact CD1-CD1 4.34Å; K102-L126 HydrophobicContact CD-CD1 4.09Å; T123-L126 HydrophobicContact CG2-CB 4.29Å; T123-L126 VanDerWaalsContact CG2-O 3.28Å; T123-L126 WeakPolarHBondContact CG2-O 3.36Å; T123-L126 VanDerWaalsContact OG1-CB 3.28Å; T123-L126 WeakPolarHBondContact OG1-CB 3.43Å; T123-L126 WeakPolarHBondContact OG1-CG 3.37Å; T123-L126 PolarHBondContact OG1-N 3.38Å; T123-L126 VanDerWaalsContact OG1-N 3.13Å; L126-V131 HydrophobicContact CB-CG2 3.57Å; L126-V131 HydrophobicContact CD1-CG2 4.42Å; L126-F193 WeakPolarHBondContact O-CZ 3.46Å | ||
| 127 | V | 97.8 | Very high | 97.6 | Very high | 29 Ų | 29 | 30.2 Ų | 30.2 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | trans | -67.1 | 141.6 | -178.9 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | C125 S129 S130 V131 E189 | C125-V127 PolarHBondContact O-N 2.92Å; V127-S129 VanDerWaalsContact C-N 3.26Å; V127-S129 WeakPolarHBondContact CG2-OG 3.32Å; V127-S129 PolarHBondContact O-N 3.16Å; V127-S130 PolarHBondContact O-N 3.39Å; V127-V131 PolarHBondContact O-N 3.13Å; V127-V131 VanDerWaalsContact O-N 3.1Å; V127-E189 HydrophobicContact CB-CB 4.21Å; V127-E189 HydrophobicContact CB-CG 4.43Å; V127-E189 HydrophobicContact CG1-CB 4.29Å | ||
| 128 | P | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -46.5 | -43.6 | 176.7 | -28.8 | 30.4 | 0 | 0 | 0 | 114.5 | S130 V131 F132 V143 V159 H161 E189 | P128-S130 PolarHBondContact O-N 3.41Å; P128-V131 PolarHBondContact O-N 2.9Å; P128-F132 HydrophobicContact CB-CD2 3.97Å; P128-F132 HydrophobicContact CB-CE2 4.09Å; P128-F132 WeakPolarHBondContact O-CD2 3.43Å; P128-F132 PolarHBondContact O-N 3.09Å; P128-V143 HydrophobicContact CB-CG2 4.43Å; P128-V143 HydrophobicContact CG-CB 4.42Å; P128-V143 HydrophobicContact CG-CG2 3.76Å; P128-V159 HydrophobicContact CG-CB 4.12Å; P128-V159 HydrophobicContact CG-CG1 3.94Å; P128-H161 HydrophobicContact CB-CB 3.99Å; P128-E189 WeakPolarHBondContact CD-OE2 3.43Å; P128-E189 HydrophobicContact CG-CB 4.23Å |
| 129 | S | 98.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 33.3 Ų | 33.3 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.3 | -36.2 | 179.4 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | V127 H161 E189 | V127-S129 VanDerWaalsContact C-N 3.26Å; V127-S129 WeakPolarHBondContact CG2-OG 3.32Å; V127-S129 PolarHBondContact O-N 3.16Å; S129-H161 VanDerWaalsContact CA-CD2 3.49Å; S129-H161 WeakPolarHBondContact CA-CD2 3.45Å; S129-E189 WeakPolarHBondContact CB-OE1 3.47Å; S129-E189 WeakPolarHBondContact CB-OE2 3.32Å; S129-E189 PolarHBondContact N-OE2 3.4Å; S129-E189 VanDerWaalsContact OG-CD 3.27Å; S129-E189 PolarHBondContact OG-OE1 2.93Å; S129-E189 PolarHBondContact OG-OE2 2.97Å |
| 130 | S | 98.2 | Very high | 97.5 | Very high | 46 Ų | 46 | 33.7 Ų | 33.7 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -77.7 | -46.5 | 174.9 | -65.1 | 0 | 0 | 0 | 0 | 111.5 | Q103 V127 P128 F132 A133 | Q103-S130 PolarHBondContact NE2-O 3.01Å; V127-S130 PolarHBondContact O-N 3.39Å; P128-S130 PolarHBondContact O-N 3.41Å; S130-F132 VanDerWaalsContact C-N 3.35Å; S130-F132 PolarHBondContact O-N 2.91Å; S130-A133 WeakPolarHBondContact O-CB 3.39Å; S130-A133 PolarHBondContact O-N 2.9Å |
| 131 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | -175.3 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | L99 K102 Q103 F106 T123 L126 V127 P128 | L99-V131 HydrophobicContact CD1-CG2 4.33Å; K102-V131 HydrophobicContact CB-CG1 4.29Å; Q103-V131 WeakPolarHBondContact CG-O 3.47Å; F106-V131 HydrophobicContact CD2-CG1 3.85Å; F106-V131 HydrophobicContact CE2-CG1 3.57Å; T123-V131 HydrophobicContact CG2-CG2 4.25Å; L126-V131 HydrophobicContact CB-CG2 3.57Å; L126-V131 HydrophobicContact CD1-CG2 4.42Å; V127-V131 PolarHBondContact O-N 3.13Å; V127-V131 VanDerWaalsContact O-N 3.1Å; P128-V131 PolarHBondContact O-N 2.9Å |
| 132 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 13.7 | -176.5 | -56.3 | -66.9 | 0 | 0 | 0 | 113.5 | F106 P128 S130 K134 V135 R138 C141 L142 V143 | F106-F132 HydrophobicContact CD1-CD1 4.33Å; F106-F132 AromaticContact CD1-CE1 3.9Å; F106-F132 HydrophobicContact CD1-CE1 3.9Å; F106-F132 AromaticContact CD2-CD1 3.95Å; F106-F132 HydrophobicContact CD2-CD1 3.95Å; F106-F132 AromaticContact CD2-CE1 3.73Å; F106-F132 HydrophobicContact CD2-CE1 3.73Å; F106-F132 AromaticContact CE1-CE1 3.69Å; F106-F132 HydrophobicContact CE1-CE1 3.69Å; F106-F132 HydrophobicContact CE2-CD1 4.18Å; F106-F132 AromaticContact CE2-CE1 3.5Å; F106-F132 HydrophobicContact CE2-CE1 3.5Å; F106-F132 HydrophobicContact CE2-CZ 4.15Å; F106-F132 HydrophobicContact CG-CD1 4.04Å; F106-F132 AromaticContact CG-CE1 3.93Å; F106-F132 HydrophobicContact CG-CE1 3.93Å; F106-F132 HydrophobicContact CZ-CD1 4.45Å; F106-F132 AromaticContact CZ-CE1 3.47Å; F106-F132 HydrophobicContact CZ-CE1 3.47Å; F106-F132 VanDerWaalsContact CZ-CE1 3.47Å; F106-F132 HydrophobicContact CZ-CZ 4.04Å; P128-F132 HydrophobicContact CB-CD2 3.97Å; P128-F132 HydrophobicContact CB-CE2 4.09Å; P128-F132 WeakPolarHBondContact O-CD2 3.43Å; P128-F132 PolarHBondContact O-N 3.09Å; S130-F132 VanDerWaalsContact C-N 3.35Å; S130-F132 PolarHBondContact O-N 2.91Å; F132-K134 PolarHBondContact O-N 3.32Å; F132-V135 HydrophobicContact CB-CB 4.39Å; F132-V135 HydrophobicContact CB-CG2 4.21Å; F132-V135 HydrophobicContact CD1-CG2 4.09Å; F132-V135 WeakPolarHBondContact O-CB 3.32Å; F132-V135 PolarHBondContact O-N 3.29Å; F132-R138 PolarHBondContact O-NE 3.49Å; F132-R138 VanDerWaalsContact O-NE 3.12Å; F132-C141 HydrophobicContact CB-CB 4.17Å; F132-C141 HydrophobicContact CD1-CB 3.68Å; F132-C141 HydrophobicContact CD2-CB 3.6Å; F132-C141 HydrophobicContact CE1-CB 3.88Å; F132-C141 HydrophobicContact CE2-CB 3.85Å; F132-C141 HydrophobicContact CG-CB 3.53Å; F132-C141 HydrophobicContact CZ-CB 3.99Å; F132-L142 WeakPolarHBondContact CZ-O 3.17Å; F132-V143 HydrophobicContact CE2-CG2 4.37Å |
| 133 | A | 98.2 | Very high | 97.5 | Very high | 43 Ų | 43 | 33 Ų | 33 | 36% | 0.355 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S130 R138 | S130-A133 WeakPolarHBondContact O-CB 3.39Å; S130-A133 PolarHBondContact O-N 2.9Å; A133-R138 PolarHBondContact O-NH2 2.82Å |
| 134 | K | 98 | Very high | 97.6 | Very high | 93 Ų | 93 | 33 Ų | 33 | 40% | 0.404 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -2.3 | -180 | -61.2 | -171.1 | -173.5 | 165.5 | 0 | 115 | Q103 Q107 F132 | Q103-K134 HydrophobicContact CB-CD 3.97Å; Q103-K134 HydrophobicContact CB-CG 4.23Å; Q103-K134 VanDerWaalsContact OE1-CE 3.27Å; Q107-K134 HydrophobicContact CB-CB 4.16Å; F132-K134 PolarHBondContact O-N 3.32Å |
| 135 | V | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | trans | -84.7 | 135 | 176.4 | -176.8 | 0 | 0 | 0 | 0 | 109 | F106 E110 L119 F132 R138 | F106-V135 HydrophobicContact CB-CG2 3.57Å; F106-V135 HydrophobicContact CG-CG2 4.44Å; E110-V135 WeakPolarHBondContact OE1-CG1 3.35Å; E110-V135 WeakPolarHBondContact OE2-CA 3.45Å; L119-V135 HydrophobicContact CD1-CG1 4.11Å; F132-V135 HydrophobicContact CB-CB 4.39Å; F132-V135 HydrophobicContact CB-CG2 4.21Å; F132-V135 HydrophobicContact CD1-CG2 4.09Å; F132-V135 WeakPolarHBondContact O-CB 3.32Å; F132-V135 PolarHBondContact O-N 3.29Å; V135-R138 HydrophobicContact CB-CG 4.36Å; V135-R138 VanDerWaalsContact O-CG 3.31Å; V135-R138 WeakPolarHBondContact O-CG 3.28Å; V135-R138 PolarHBondContact O-NE 3.41Å; V135-R138 VanDerWaalsContact O-NE 3.07Å; V135-R138 PolarHBondContact O-NH1 3.3Å; V135-R138 PolarHBondContact O-NH2 3.04Å | ||
| 136 | Q | 97.3 | Very high | 98.2 | Very high | 167 Ų | 167 | 30 Ų | 30 | 78% | 0.78 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -77.8 | -49.4 | 178.5 | -62.5 | -175 | -2 | 0 | 0 | 111.2 | E110 R138 | E110-Q136 PolarHBondContact OE1-N 3.12Å; E110-Q136 PolarHBondContact OE2-N 2.88Å; Q136-R138 PolarHBondContact O-N 2.92Å |
| 137 | E | 97.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 25% | 0.248 | 16% | 0.159 | C | C | . | . | trans | -92.9 | 75 | -178.5 | -172.1 | 58.7 | -102.6 | 0 | 0 | 110.8 | E110 K115 S139 R140 | E110-E137 PolarHBondContact OE1-N 2.84Å; K115-E137 IonicContact NZ-OE2 2.93Å; E137-S139 PolarHBondContact O-N 3.32Å; E137-S139 WeakPolarHBondContact OE1-CB 3.37Å; E137-S139 PolarHBondContact OE1-OG 3.33Å; E137-R140 HydrophobicContact CG-CG 4.46Å; E137-R140 WeakPolarHBondContact O-CG 3.21Å; E137-R140 PolarHBondContact O-NE 2.84Å | ||
| 138 | R | 98.2 | Very high | 97.8 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 23% | 0.234 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -73.8 | -12.9 | -176.1 | -59.4 | -174.9 | -168.6 | 79.3 | 4.6 | 113.9 | F132 A133 V135 Q136 R140 C141 H161 E163 | F132-R138 PolarHBondContact O-NE 3.49Å; F132-R138 VanDerWaalsContact O-NE 3.12Å; A133-R138 PolarHBondContact O-NH2 2.82Å; V135-R138 HydrophobicContact CB-CG 4.36Å; V135-R138 VanDerWaalsContact O-CG 3.31Å; V135-R138 WeakPolarHBondContact O-CG 3.28Å; V135-R138 PolarHBondContact O-NE 3.41Å; V135-R138 VanDerWaalsContact O-NE 3.07Å; V135-R138 PolarHBondContact O-NH1 3.3Å; V135-R138 PolarHBondContact O-NH2 3.04Å; Q136-R138 PolarHBondContact O-N 2.92Å; R138-R140 PolarHBondContact O-N 2.99Å; R138-R140 VanDerWaalsContact O-N 3.13Å; R138-C141 WeakPolarHBondContact O-CB 3.44Å; R138-C141 PolarHBondContact O-N 3.19Å; R138-C141 VanDerWaalsContact O-N 3.1Å; R138-H161 VanDerWaalsContact CD-CE1 3.42Å; R138-H161 WeakPolarHBondContact CD-CE1 3.39Å; R138-H161 WeakPolarHBondContact CD-NE2 3.36Å; R138-E163 HydrophobicContact CB-CB 4.29Å; R138-E163 WeakPolarHBondContact CD-OE1 3.47Å; R138-E163 IonicContact NH1-OE1 2.71Å |
| 139 | S | 98.4 | Very high | 97.4 | Very high | 29 Ų | 29 | 32 Ų | 32 | 20% | 0.203 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -61.8 | -20.8 | -179.9 | 70.6 | 0 | 0 | 0 | 0 | 113.9 | E137 E163 T164 V165 | E137-S139 PolarHBondContact O-N 3.32Å; E137-S139 WeakPolarHBondContact OE1-CB 3.37Å; E137-S139 PolarHBondContact OE1-OG 3.33Å; S139-E163 WeakPolarHBondContact CA-O 3.16Å; S139-T164 WeakPolarHBondContact O-CA 3.48Å; S139-V165 PolarHBondContact O-N 2.79Å |
| 140 | R | 98.3 | Very high | 97 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -103.8 | 9.2 | 178.8 | 75.7 | -156.1 | 175.9 | 127.4 | -16.7 | 114.7 | E110 G114 K115 V117 L119 E137 R138 V168 | E110-R140 IonicContact OE1-NH2 3.41Å; E110-R140 PolarHBondContact OE1-NH2 3.43Å; G114-R140 PolarHBondContact O-NH1 2.72Å; K115-R140 WeakPolarHBondContact O-CD 3.34Å; V117-R140 WeakPolarHBondContact O-CD 3.37Å; V117-R140 WeakPolarHBondContact O-CG 3.45Å; V117-R140 PolarHBondContact O-NH1 2.98Å; L119-R140 HydrophobicContact CG-CG 4.42Å; L119-R140 PolarHBondContact N-O 2.66Å; E137-R140 HydrophobicContact CG-CG 4.46Å; E137-R140 WeakPolarHBondContact O-CG 3.21Å; E137-R140 PolarHBondContact O-NE 2.84Å; R138-R140 PolarHBondContact O-N 2.99Å; R138-R140 VanDerWaalsContact O-N 3.13Å; R140-V168 HydrophobicContact CB-CG2 4.3Å |
| 141 | C | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 141.8 | -176.4 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | L119 F132 R138 T164 | L119-C141 CarbonylContact O-C 3.55Å; L119-C141 VanDerWaalsContact O-CA 3.29Å; L119-C141 WeakPolarHBondContact O-CA 3.45Å; F132-C141 HydrophobicContact CB-CB 4.17Å; F132-C141 HydrophobicContact CD1-CB 3.68Å; F132-C141 HydrophobicContact CD2-CB 3.6Å; F132-C141 HydrophobicContact CE1-CB 3.88Å; F132-C141 HydrophobicContact CE2-CB 3.85Å; F132-C141 HydrophobicContact CG-CB 3.53Å; F132-C141 HydrophobicContact CZ-CB 3.99Å; R138-C141 WeakPolarHBondContact O-CB 3.44Å; R138-C141 PolarHBondContact O-N 3.19Å; R138-C141 VanDerWaalsContact O-N 3.1Å; C141-T164 WeakPolarHBondContact O-CG2 3.38Å; C141-T164 PolarHBondContact O-OG1 3.43Å |
| 142 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 167.8 | 168.6 | 72.8 | 153.6 | 0 | 0 | 0 | 110.8 | I118 L119 S120 S121 F132 L158 V159 V168 M169 A172 | I118-L142 HydrophobicContact CG2-CD2 3.29Å; L119-L142 PolarHBondContact O-N 3.36Å; S120-L142 VanDerWaalsContact CA-O 3.25Å; S120-L142 WeakPolarHBondContact CA-O 3.37Å; S121-L142 PolarHBondContact N-O 3.01Å; S121-L142 VanDerWaalsContact N-O 3.08Å; F132-L142 WeakPolarHBondContact CZ-O 3.17Å; L142-L158 HydrophobicContact CD1-CB 4.38Å; L142-L158 HydrophobicContact CD1-CD2 3.96Å; L142-V159 WeakPolarHBondContact CA-O 3.31Å; L142-V168 HydrophobicContact CD2-CG1 3.88Å; L142-M169 HydrophobicContact CB-SD 4.08Å; L142-M169 HydrophobicContact CD1-SD 4.11Å; L142-A172 HydrophobicContact CD1-CB 3.49Å; L142-A172 VanDerWaalsContact CD1-CB 3.49Å; L142-A172 HydrophobicContact CD2-CB 4.33Å |
| 143 | V | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.3 | 162.1 | 171.3 | 0 | 0 | 0 | 0 | 108.3 | S121 T123 P128 F132 H145 L158 V159 F193 | S121-V143 WeakPolarHBondContact O-CA 3.37Å; T123-V143 HydrophobicContact CG2-CB 4.36Å; T123-V143 HydrophobicContact CG2-CG1 3.8Å; T123-V143 HydrophobicContact CG2-CG2 3.58Å; P128-V143 HydrophobicContact CB-CG2 4.43Å; P128-V143 HydrophobicContact CG-CB 4.42Å; P128-V143 HydrophobicContact CG-CG2 3.76Å; F132-V143 HydrophobicContact CE2-CG2 4.37Å; V143-H145 HydrophobicContact CG1-CB 3.92Å; V143-L158 CarbonylContact O-C 3.56Å; V143-L158 VanDerWaalsContact O-CA 3.3Å; V143-L158 WeakPolarHBondContact O-CA 3.46Å; V143-V159 HydrophobicContact CB-CB 4.03Å; V143-V159 HydrophobicContact CB-CG2 4.23Å; V143-V159 HydrophobicContact CG1-CG2 4.35Å; V143-V159 PolarHBondContact N-O 2.91Å; V143-V159 PolarHBondContact O-N 3.43Å; V143-F193 HydrophobicContact CB-CZ 4.31Å; V143-F193 HydrophobicContact CG1-CE2 3.76Å; V143-F193 HydrophobicContact CG1-CZ 3.84Å; V143-F193 HydrophobicContact CG2-CZ 4.27Å |
| 144 | S | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 84.8 | 165.7 | -55.3 | 0 | 0 | 0 | 0 | 107.7 | Q92 S120 S121 P146 E157 L158 | Q92-S144 PolarHBondContact NE2-O 2.88Å; S120-S144 WeakPolarHBondContact OG-CB 3.29Å; S120-S144 PolarHBondContact OG-OG 3.48Å; S121-S144 CarbonylContact O-C 3.51Å; S121-S144 PolarHBondContact O-N 3.36Å; S144-P146 VanDerWaalsContact O-CD 3.23Å; S144-P146 WeakPolarHBondContact O-CD 3.3Å; S144-E157 WeakPolarHBondContact CA-O 3.49Å; S144-L158 WeakPolarHBondContact OG-CD2 3.42Å |
| 145 | H | 98.5 | Very high | 96 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 6% | 0.06 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 111.2 | -176.1 | 165.5 | -131.6 | 0 | 0 | 0 | 110.1 | T123 V143 V156 E157 F193 | T123-H145 WeakPolarHBondContact O-CB 3.47Å; V143-H145 HydrophobicContact CG1-CB 3.92Å; H145-V156 CarbonylContact O-C 3.55Å; H145-V156 WeakPolarHBondContact O-CA 3.5Å; H145-E157 HydrophobicContact CB-CB 4.18Å; H145-E157 IonicContact CE1-OE2 3.16Å; H145-E157 PolarHBondContact CE1-OE2 2.91Å; H145-E157 IonicContact CG-OE2 3.79Å; H145-E157 PolarHBondContact N-O 3.07Å; H145-E157 IonicContact ND1-OE2 2.76Å; H145-E157 PolarHBondContact ND1-OE2 3.49Å; H145-E157 PolarHBondContact O-N 3.12Å; H145-F193 HydrophobicContact CB-CD2 4.06Å; H145-F193 HydrophobicContact CB-CE2 4.1Å; H145-F193 AromaticContact ND1-CD2 3.87Å |
| 146 | P | 97.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 5% | 0.045 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 158.7 | 174.3 | 37.3 | -34.7 | 0 | 0 | 0 | 111.1 | I17 W21 S144 P150 | I17-P146 HydrophobicContact CG2-CG 3.96Å; W21-P146 HydrophobicContact CH2-CB 4.29Å; W21-P146 HydrophobicContact CZ2-CB 3.6Å; W21-P146 HydrophobicContact CZ2-CG 3.82Å; S144-P146 VanDerWaalsContact O-CD 3.23Å; S144-P146 WeakPolarHBondContact O-CD 3.3Å; P146-P150 HydrophobicContact CB-CB 3.9Å; P146-P150 HydrophobicContact CB-CG 3.78Å; P146-P150 HydrophobicContact CG-CG 4.12Å |
| 147 | V | 96.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 23.8 Ų | 23.8 | 21% | 0.206 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -96.8 | 129.7 | 169.3 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | P149 P150 V153 L155 V195 | V147-P149 CarbonylContact O-C 3.57Å; V147-P150 VanDerWaalsContact O-CA 3.3Å; V147-P150 WeakPolarHBondContact O-CA 3.32Å; V147-P150 VanDerWaalsContact O-N 3.13Å; V147-V153 HydrophobicContact CB-CB 4.22Å; V147-V153 HydrophobicContact CB-CG1 3.65Å; V147-V153 HydrophobicContact CG1-CB 4.34Å; V147-V153 HydrophobicContact CG1-CG1 3.76Å; V147-V153 HydrophobicContact CG2-CG1 4.47Å; V147-L155 HydrophobicContact CG2-CB 4.21Å; V147-L155 HydrophobicContact CG2-CD2 4.17Å; V147-L155 HydrophobicContact CG2-CG 4.39Å; V147-L155 PolarHBondContact N-O 3.3Å; V147-V195 HydrophobicContact CG2-CG1 4.29Å; V147-V195 HydrophobicContact CG2-CG2 4.34Å |
| 148 | N | 90.8 | Very high | 96.2 | Very high | 68 Ų | 68 | 21.3 Ų | 21.3 | 36% | 0.364 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -76.6 | 130.8 | -178.8 | -176.3 | 48.4 | 0 | 0 | 0 | 112.1 | I17 | I17-N148 HydrophobicContact CD1-CB 4.32Š|
| 149 | P | 90.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 18.3 Ų | 18.3 | 7% | 0.065 | 10% | 0.095 | C | C | . | . | S | Bend | cis | -82.3 | 123.9 | -3.2 | 31.2 | -34.8 | 0 | 0 | 0 | 113.8 | V147 Y151 Y152 V153 L307 | V147-P149 CarbonylContact O-C 3.57Å; P149-Y151 PolarHBondContact O-N 3.46Å; P149-Y151 VanDerWaalsContact O-N 3.09Å; P149-Y152 HydrophobicContact CB-CD2 4.08Å; P149-Y152 HydrophobicContact CG-CD2 3.57Å; P149-Y152 HydrophobicContact CG-CE2 4.31Å; P149-Y152 HydrophobicContact CG-CG 4.45Å; P149-Y152 PolarHBondContact O-N 3.37Å; P149-Y152 VanDerWaalsContact O-N 3.13Å; P149-V153 PolarHBondContact O-N 2.97Å; P149-L307 HydrophobicContact CG-CD1 4.01Å |
| 150 | P | 90.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.5 | -170.9 | -21.9 | 34.7 | 0 | 0 | 0 | 114.8 | I17 P146 V147 Y152 Q181 | I17-P150 HydrophobicContact CD1-CG 4.09Å; P146-P150 HydrophobicContact CB-CB 3.9Å; P146-P150 HydrophobicContact CB-CG 3.78Å; P146-P150 HydrophobicContact CG-CG 4.12Å; V147-P150 VanDerWaalsContact O-CA 3.3Å; V147-P150 WeakPolarHBondContact O-CA 3.32Å; V147-P150 VanDerWaalsContact O-N 3.13Å; P150-Y152 VanDerWaalsContact C-N 3.33Å; P150-Q181 PolarHBondContact O-NE2 3.22Å; P150-Q181 PolarHBondContact O-OE1 2.93Å |
| 151 | Y | 91.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 18.1 Ų | 18.1 | 4% | 0.039 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -33.7 | 178.7 | -158.6 | -91.8 | 0 | 0 | 0 | 112 | M23 V24 L56 R63 P149 | M23-Y151 HydrophobicContact CB-CD2 3.94Å; M23-Y151 HydrophobicContact CB-CE2 3.88Å; M23-Y151 HydrophobicContact CE-CD2 4.24Å; M23-Y151 HydrophobicContact CE-CE2 3.98Å; V24-Y151 HydrophobicContact CG2-CD2 4.23Å; L56-Y151 HydrophobicContact CD1-CD1 4.08Å; L56-Y151 HydrophobicContact CD1-CE1 3.47Å; L56-Y151 VanDerWaalsContact CD1-CE1 3.47Å; L56-Y151 HydrophobicContact CD1-CE2 4.29Å; L56-Y151 HydrophobicContact CD2-CE1 4.13Å; L56-Y151 HydrophobicContact CG-CE1 4.41Å; R63-Y151 HydrophobicContact CB-CE1 4.43Å; R63-Y151 HydrophobicContact CB-CE2 4.47Å; R63-Y151 WeakPolarHBondContact CB-OH 3.31Å; R63-Y151 VanDerWaalsContact CD-CZ 3.46Å; R63-Y151 HydrophobicContact CG-CD1 4.38Å; R63-Y151 HydrophobicContact CG-CE1 3.62Å; R63-Y151 HydrophobicContact CG-CE2 4.24Å; R63-Y151 PolarHBondContact N-OH 2.97Å; R63-Y151 PolarHBondContact NH1-O 3.45Å; P149-Y151 PolarHBondContact O-N 3.46Å; P149-Y151 VanDerWaalsContact O-N 3.09Å |
| 152 | Y | 90.6 | Very high | 96.2 | Very high | 39 Ų | 39 | 22.9 Ų | 22.9 | 15% | 0.153 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -39.1 | -179.4 | -47.3 | -50.7 | 0 | 0 | 0 | 112 | L56 P149 P150 K154 D304 M308 | L56-Y152 HydrophobicContact CD2-CE1 4.24Å; P149-Y152 HydrophobicContact CB-CD2 4.08Å; P149-Y152 HydrophobicContact CG-CD2 3.57Å; P149-Y152 HydrophobicContact CG-CE2 4.31Å; P149-Y152 HydrophobicContact CG-CG 4.45Å; P149-Y152 PolarHBondContact O-N 3.37Å; P149-Y152 VanDerWaalsContact O-N 3.13Å; P150-Y152 VanDerWaalsContact C-N 3.33Å; Y152-K154 PolarHBondContact O-N 2.96Å; Y152-D304 HydrophobicContact CD2-CB 4.39Å; Y152-D304 HydrophobicContact CE2-CB 4.04Å; Y152-M308 HydrophobicContact CD1-CB 3.89Å; Y152-M308 HydrophobicContact CD1-CG 4.06Å; Y152-M308 HydrophobicContact CE1-CB 3.94Å; Y152-M308 HydrophobicContact CE1-CG 3.86Å; Y152-M308 HydrophobicContact CE1-SD 4.47Å; Y152-M308 HydrophobicContact CG-CB 4.23Å |
| 153 | V | 94.7 | Very high | 96.2 | Very high | 37 Ų | 37 | 28 Ų | 28 | 22% | 0.224 | 15% | 0.148 | C | C | . | . | trans | -90.2 | 102.8 | 177.1 | -170 | 0 | 0 | 0 | 0 | 109.1 | V147 P149 L155 L307 | V147-V153 HydrophobicContact CB-CB 4.22Å; V147-V153 HydrophobicContact CB-CG1 3.65Å; V147-V153 HydrophobicContact CG1-CB 4.34Å; V147-V153 HydrophobicContact CG1-CG1 3.76Å; V147-V153 HydrophobicContact CG2-CG1 4.47Å; P149-V153 PolarHBondContact O-N 2.97Å; V153-L155 VanDerWaalsContact C-N 3.31Å; V153-L155 PolarHBondContact O-N 3.26Å; V153-L307 HydrophobicContact CG2-CD1 4.18Å; V153-L307 HydrophobicContact CG2-CD2 4.44Å | ||
| 154 | K | 95.4 | Very high | 96.2 | Very high | 74 Ų | 74 | 28.9 Ų | 28.9 | 32% | 0.322 | 15% | 0.154 | S | C | . | . | trans | -72.9 | -17.2 | -170.4 | -66.8 | 178.6 | 178.8 | 176.5 | 0 | 114.7 | Y152 V156 G180 Q181 A182 | Y152-K154 PolarHBondContact O-N 2.96Å; K154-V156 PolarHBondContact O-N 3.28Å; K154-G180 WeakPolarHBondContact CD-O 3.21Å; K154-Q181 CarbonylContact O-C 3.58Å; K154-Q181 WeakPolarHBondContact O-CA 3.21Å; K154-Q181 WeakPolarHBondContact O-CB 3.19Å; K154-Q181 PolarHBondContact O-NE2 3.14Å; K154-Q181 VanDerWaalsContact O-NE2 3.17Å; K154-A182 HydrophobicContact CB-CB 4.13Å; K154-A182 PolarHBondContact O-N 3.29Å | ||
| 155 | L | 97.9 | Very high | 96.2 | Very high | 54 Ų | 54 | 32.3 Ų | 32.3 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133.6 | -174.4 | -177.8 | 64.1 | 0 | 0 | 0 | 111.4 | V147 V153 A182 V184 V195 | V147-L155 HydrophobicContact CG2-CB 4.21Å; V147-L155 HydrophobicContact CG2-CD2 4.17Å; V147-L155 HydrophobicContact CG2-CG 4.39Å; V147-L155 PolarHBondContact N-O 3.3Å; V153-L155 VanDerWaalsContact C-N 3.31Å; V153-L155 PolarHBondContact O-N 3.26Å; L155-A182 WeakPolarHBondContact CA-O 3.43Å; L155-V184 HydrophobicContact CD1-CB 4.33Å; L155-V184 HydrophobicContact CD1-CG1 3.6Å; L155-V184 HydrophobicContact CD1-CG2 3.79Å; L155-V195 HydrophobicContact CD2-CG2 3.4Å |
| 156 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 118.8 | 171.1 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | W21 H145 K154 L158 M176 Q181 A182 P183 V184 | W21-V156 HydrophobicContact CH2-CG1 4Å; W21-V156 HydrophobicContact CH2-CG2 3.67Å; W21-V156 HydrophobicContact CZ2-CG1 4.4Å; W21-V156 HydrophobicContact CZ2-CG2 4.48Å; W21-V156 HydrophobicContact CZ3-CG2 4.48Å; H145-V156 CarbonylContact O-C 3.55Å; H145-V156 WeakPolarHBondContact O-CA 3.5Å; K154-V156 PolarHBondContact O-N 3.28Å; V156-L158 HydrophobicContact CG1-CD2 3.86Å; V156-L158 PolarHBondContact O-N 3.36Å; V156-M176 HydrophobicContact CG1-CG 4.31Å; V156-M176 HydrophobicContact CG1-SD 4.34Å; V156-M176 HydrophobicContact CG2-SD 4.41Å; V156-Q181 HydrophobicContact CG2-CB 3.78Å; V156-Q181 HydrophobicContact CG2-CG 3.86Å; V156-A182 PolarHBondContact N-O 3.45Å; V156-A182 VanDerWaalsContact N-O 3.16Å; V156-P183 CarbonylContact O-C 3.5Å; V156-P183 VanDerWaalsContact O-CA 3.29Å; V156-P183 WeakPolarHBondContact O-CA 3.35Å; V156-V184 PolarHBondContact O-N 2.86Å |
| 157 | E | 98.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 115 | 173.5 | -61.8 | -177.3 | 114.8 | 0 | 0 | 109.6 | S144 H145 V159 V184 L186 F193 A194 V195 | S144-E157 WeakPolarHBondContact CA-O 3.49Å; H145-E157 HydrophobicContact CB-CB 4.18Å; H145-E157 IonicContact CE1-OE2 3.16Å; H145-E157 PolarHBondContact CE1-OE2 2.91Å; H145-E157 IonicContact CG-OE2 3.79Å; H145-E157 PolarHBondContact N-O 3.07Å; H145-E157 IonicContact ND1-OE2 2.76Å; H145-E157 PolarHBondContact ND1-OE2 3.49Å; H145-E157 PolarHBondContact O-N 3.12Å; E157-V159 HydrophobicContact CB-CG2 4.38Å; E157-V184 HydrophobicContact CB-CG2 4.29Å; E157-V184 HydrophobicContact CG-CG2 3.87Å; E157-L186 HydrophobicContact CB-CD1 3.9Å; E157-L186 HydrophobicContact CG-CD1 4.24Å; E157-F193 VanDerWaalsContact OE2-CB 3.3Å; E157-F193 WeakPolarHBondContact OE2-CB 3.39Å; E157-A194 VanDerWaalsContact OE1-CA 3.23Å; E157-A194 WeakPolarHBondContact OE1-CA 3.49Å; E157-A194 WeakPolarHBondContact OE1-CB 3.48Å; E157-A194 PolarHBondContact OE1-N 3.02Å; E157-V195 HydrophobicContact CG-CG2 4.04Å; E157-V195 PolarHBondContact OE1-N 2.83Å |
| 158 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 113.3 | 174 | -58.3 | -176.2 | 0 | 0 | 0 | 108.8 | L142 V143 S144 V156 M169 A172 H173 M176 P183 V184 L185 L186 | L142-L158 HydrophobicContact CD1-CB 4.38Å; L142-L158 HydrophobicContact CD1-CD2 3.96Å; V143-L158 CarbonylContact O-C 3.56Å; V143-L158 VanDerWaalsContact O-CA 3.3Å; V143-L158 WeakPolarHBondContact O-CA 3.46Å; S144-L158 WeakPolarHBondContact OG-CD2 3.42Å; V156-L158 HydrophobicContact CG1-CD2 3.86Å; V156-L158 PolarHBondContact O-N 3.36Å; L158-M169 HydrophobicContact CB-CE 3.76Å; L158-A172 HydrophobicContact CD1-CB 4.13Å; L158-A172 HydrophobicContact CD2-CB 4.38Å; L158-H173 HydrophobicContact CD1-CB 3.94Å; L158-M176 HydrophobicContact CD2-CG 4.24Å; L158-P183 HydrophobicContact CD1-CB 3.7Å; L158-P183 HydrophobicContact CG-CB 4.06Å; L158-V184 WeakPolarHBondContact CB-O 3.26Å; L158-V184 PolarHBondContact N-O 3.39Å; L158-L185 HydrophobicContact CB-CD2 4.04Å; L158-L185 HydrophobicContact CD1-CD2 3.86Å; L158-L186 PolarHBondContact O-N 3.35Å |
| 159 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.1 | -174.6 | -160.4 | 0 | 0 | 0 | 0 | 109.8 | P128 L142 V143 E157 L186 E189 F193 | P128-V159 HydrophobicContact CG-CB 4.12Å; P128-V159 HydrophobicContact CG-CG1 3.94Å; L142-V159 WeakPolarHBondContact CA-O 3.31Å; V143-V159 HydrophobicContact CB-CB 4.03Å; V143-V159 HydrophobicContact CB-CG2 4.23Å; V143-V159 HydrophobicContact CG1-CG2 4.35Å; V143-V159 PolarHBondContact N-O 2.91Å; V143-V159 PolarHBondContact O-N 3.43Å; E157-V159 HydrophobicContact CB-CG2 4.38Å; V159-L186 HydrophobicContact CB-CB 4.47Å; V159-L186 HydrophobicContact CG1-CB 4.13Å; V159-L186 HydrophobicContact CG1-CD2 4.11Å; V159-L186 HydrophobicContact CG2-CB 4.33Å; V159-L186 HydrophobicContact CG2-CD1 4.32Å; V159-L186 HydrophobicContact CG2-CD2 3.89Å; V159-L186 HydrophobicContact CG2-CG 4.39Å; V159-E189 HydrophobicContact CG1-CB 4.08Å; V159-F193 HydrophobicContact CB-CD1 4.34Å; V159-F193 HydrophobicContact CB-CE1 4.16Å; V159-F193 HydrophobicContact CG1-CD1 4Å; V159-F193 HydrophobicContact CG1-CE1 3.91Å; V159-F193 HydrophobicContact CG2-CD1 3.68Å; V159-F193 HydrophobicContact CG2-CD2 4.23Å; V159-F193 HydrophobicContact CG2-CE1 3.84Å; V159-F193 HydrophobicContact CG2-CE2 4.36Å; V159-F193 HydrophobicContact CG2-CG 3.9Å; V159-F193 HydrophobicContact CG2-CZ 4.18Å |
| 160 | P | 98.6 | Very high | 97 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 13% | 0.13 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 144.8 | -179 | 30.8 | -33.9 | 0 | 0 | 0 | 111.1 | T164 M169 L186 | P160-T164 HydrophobicContact CB-CG2 4.35Å; P160-M169 HydrophobicContact CB-CE 4.2Å; P160-M169 HydrophobicContact CB-CG 4.38Å; P160-M169 HydrophobicContact CB-SD 3.81Å; P160-M169 HydrophobicContact CG-CE 4.38Å; P160-L186 WeakPolarHBondContact CD-O 3.48Å; P160-L186 WeakPolarHBondContact CG-O 3.38Å |
| 161 | H | 98.6 | Very high | 97.4 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 6% | 0.06 | 24% | 0.242 | C | C | . | . | trans | -63.3 | 150.7 | 152.1 | -176 | -90.5 | 0 | 0 | 0 | 109.1 | P128 S129 R138 E163 T164 | P128-H161 HydrophobicContact CB-CB 3.99Å; S129-H161 VanDerWaalsContact CA-CD2 3.49Å; S129-H161 WeakPolarHBondContact CA-CD2 3.45Å; R138-H161 VanDerWaalsContact CD-CE1 3.42Å; R138-H161 WeakPolarHBondContact CD-CE1 3.39Å; R138-H161 WeakPolarHBondContact CD-NE2 3.36Å; H161-E163 IonicContact CE1-OE1 3.81Å; H161-E163 PolarHBondContact CE1-OE1 2.75Å; H161-E163 VanDerWaalsContact CE1-OE1 3.28Å; H161-E163 WeakPolarHBondContact ND1-CB 3.47Å; H161-E163 PolarHBondContact ND1-N 2.99Å; H161-E163 IonicContact ND1-OE1 2.99Å; H161-E163 PolarHBondContact O-N 3.07Å; H161-T164 WeakPolarHBondContact CA-OG1 3.43Å; H161-T164 VanDerWaalsContact CB-OG1 3.26Å; H161-T164 WeakPolarHBondContact CB-OG1 3.15Å; H161-T164 PolarHBondContact N-OG1 3.38Å; H161-T164 WeakPolarHBondContact O-CB 3.3Å; H161-T164 PolarHBondContact O-N 3.01Å; H161-T164 PolarHBondContact O-OG1 2.87Å | ||
| 162 | P | 98.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 40.2 Ų | 40.2 | 64% | 0.643 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -26.1 | 176.3 | -31.2 | 36.8 | 0 | 0 | 0 | 115.4 | ||
| 163 | E | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 41.4 Ų | 41.4 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -6.1 | 178.4 | -60.1 | 178.3 | -109.8 | 0 | 0 | 113.9 | R138 S139 H161 V165 | R138-E163 HydrophobicContact CB-CB 4.29Å; R138-E163 WeakPolarHBondContact CD-OE1 3.47Å; R138-E163 IonicContact NH1-OE1 2.71Å; S139-E163 WeakPolarHBondContact CA-O 3.16Å; H161-E163 IonicContact CE1-OE1 3.81Å; H161-E163 PolarHBondContact CE1-OE1 2.75Å; H161-E163 VanDerWaalsContact CE1-OE1 3.28Å; H161-E163 WeakPolarHBondContact ND1-CB 3.47Å; H161-E163 PolarHBondContact ND1-N 2.99Å; H161-E163 IonicContact ND1-OE1 2.99Å; H161-E163 PolarHBondContact O-N 3.07Å; E163-V165 PolarHBondContact O-N 2.85Å |
| 164 | T | 98.7 | Very high | 98.3 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | trans | -59.9 | 126.7 | -177 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | S139 C141 P160 H161 V168 M169 | S139-T164 WeakPolarHBondContact O-CA 3.48Å; C141-T164 WeakPolarHBondContact O-CG2 3.38Å; C141-T164 PolarHBondContact O-OG1 3.43Å; P160-T164 HydrophobicContact CB-CG2 4.35Å; H161-T164 WeakPolarHBondContact CA-OG1 3.43Å; H161-T164 VanDerWaalsContact CB-OG1 3.26Å; H161-T164 WeakPolarHBondContact CB-OG1 3.15Å; H161-T164 PolarHBondContact N-OG1 3.38Å; H161-T164 WeakPolarHBondContact O-CB 3.3Å; H161-T164 PolarHBondContact O-N 3.01Å; H161-T164 PolarHBondContact O-OG1 2.87Å; T164-V168 HydrophobicContact CG2-CB 4Å; T164-V168 HydrophobicContact CG2-CG1 3.85Å; T164-M169 HydrophobicContact CG2-CG 3.9Å; T164-M169 HydrophobicContact CG2-SD 3.85Å | ||
| 165 | V | 98.3 | Very high | 98.5 | Very high | 71 Ų | 71 | 39.9 Ų | 39.9 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | trans | -78.4 | 148.2 | 177.8 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | S139 E163 A167 V168 M169 | S139-V165 PolarHBondContact O-N 2.79Å; E163-V165 PolarHBondContact O-N 2.85Å; V165-A167 VanDerWaalsContact C-N 3.25Å; V165-A167 PolarHBondContact O-N 3.03Å; V165-V168 HydrophobicContact CG2-CB 4.23Å; V165-V168 HydrophobicContact CG2-CG2 3.61Å; V165-V168 WeakPolarHBondContact O-CB 3.45Å; V165-V168 PolarHBondContact O-N 3.36Å; V165-M169 PolarHBondContact O-N 2.87Å | ||
| 166 | A | 98 | Very high | 98.5 | Very high | 69 Ų | 69 | 37.3 Ų | 37.3 | 57% | 0.57 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -53.6 | -40.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V168 M169 D170 | A166-V168 PolarHBondContact O-N 2.89Å; A166-V168 VanDerWaalsContact O-N 3.15Å; A166-M169 WeakPolarHBondContact O-CB 3.47Å; A166-M169 PolarHBondContact O-N 3.08Å; A166-D170 PolarHBondContact O-N 3.22Å |
| 167 | A | 98.1 | Very high | 98.5 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 56% | 0.562 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.5 | -30.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V165 A171 | V165-A167 VanDerWaalsContact C-N 3.25Å; V165-A167 PolarHBondContact O-N 3.03Å; A167-A171 VanDerWaalsContact O-CB 3.22Å; A167-A171 WeakPolarHBondContact O-CB 3.23Å; A167-A171 PolarHBondContact O-N 3.15Å |
| 168 | V | 98.6 | Very high | 98.3 | Very high | 15 Ų | 15 | 47 Ų | 47 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.2 | -40.9 | 176.9 | 168 | 0 | 0 | 0 | 0 | 110.4 | I118 R140 L142 T164 V165 A166 A171 A172 | I118-V168 HydrophobicContact CD1-CG1 4.33Å; I118-V168 HydrophobicContact CG1-CG1 4.2Å; I118-V168 HydrophobicContact CG1-CG2 4.48Å; I118-V168 HydrophobicContact CG2-CG1 4.02Å; R140-V168 HydrophobicContact CB-CG2 4.3Å; L142-V168 HydrophobicContact CD2-CG1 3.88Å; T164-V168 HydrophobicContact CG2-CB 4Å; T164-V168 HydrophobicContact CG2-CG1 3.85Å; V165-V168 HydrophobicContact CG2-CB 4.23Å; V165-V168 HydrophobicContact CG2-CG2 3.61Å; V165-V168 WeakPolarHBondContact O-CB 3.45Å; V165-V168 PolarHBondContact O-N 3.36Å; A166-V168 PolarHBondContact O-N 2.89Å; A166-V168 VanDerWaalsContact O-N 3.15Å; V168-A171 PolarHBondContact O-N 3.23Å; V168-A172 WeakPolarHBondContact O-CB 3.4Å; V168-A172 PolarHBondContact O-N 2.85Å |
| 169 | M | 98.6 | Very high | 98.2 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.2 | -63.4 | -58.3 | -67.4 | 0 | 0 | 111.5 | L142 L158 P160 T164 V165 A166 A172 H173 L185 | L142-M169 HydrophobicContact CB-SD 4.08Å; L142-M169 HydrophobicContact CD1-SD 4.11Å; L158-M169 HydrophobicContact CB-CE 3.76Å; P160-M169 HydrophobicContact CB-CE 4.2Å; P160-M169 HydrophobicContact CB-CG 4.38Å; P160-M169 HydrophobicContact CB-SD 3.81Å; P160-M169 HydrophobicContact CG-CE 4.38Å; T164-M169 HydrophobicContact CG2-CG 3.9Å; T164-M169 HydrophobicContact CG2-SD 3.85Å; V165-M169 PolarHBondContact O-N 2.87Å; A166-M169 WeakPolarHBondContact O-CB 3.47Å; A166-M169 PolarHBondContact O-N 3.08Å; M169-A172 PolarHBondContact O-N 3Å; M169-H173 VanDerWaalsContact O-CB 3.3Å; M169-H173 WeakPolarHBondContact O-CB 3.24Å; M169-H173 PolarHBondContact O-N 3.4Å; M169-L185 HydrophobicContact CB-CD2 4.45Å; M169-L185 HydrophobicContact CE-CD2 3.78Å |
| 170 | D | 98.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 48.9 Ų | 48.9 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 177.3 | -65.8 | -25 | 0 | 0 | 0 | 111.7 | A166 S174 | A166-D170 PolarHBondContact O-N 3.22Å; D170-S174 VanDerWaalsContact O-CB 3.27Å; D170-S174 WeakPolarHBondContact O-CB 3.25Å; D170-S174 PolarHBondContact O-N 3.13Å; D170-S174 PolarHBondContact O-OG 2.81Å |
| 171 | A | 98.3 | Very high | 98 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I118 A167 V168 S174 L175 | I118-A171 HydrophobicContact CD1-CB 3.74Å; A167-A171 VanDerWaalsContact O-CB 3.22Å; A167-A171 WeakPolarHBondContact O-CB 3.23Å; A167-A171 PolarHBondContact O-N 3.15Å; V168-A171 PolarHBondContact O-N 3.23Å; A171-S174 PolarHBondContact O-N 3.45Å; A171-L175 WeakPolarHBondContact O-CB 3.17Å; A171-L175 PolarHBondContact O-N 2.8Å |
| 172 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F90 L142 L158 V168 M169 S174 L175 M176 | F90-A172 HydrophobicContact CE2-CB 4.42Å; L142-A172 HydrophobicContact CD1-CB 3.49Å; L142-A172 VanDerWaalsContact CD1-CB 3.49Å; L142-A172 HydrophobicContact CD2-CB 4.33Å; L158-A172 HydrophobicContact CD1-CB 4.13Å; L158-A172 HydrophobicContact CD2-CB 4.38Å; V168-A172 WeakPolarHBondContact O-CB 3.4Å; V168-A172 PolarHBondContact O-N 2.85Å; M169-A172 PolarHBondContact O-N 3Å; A172-S174 VanDerWaalsContact C-N 3.34Å; A172-S174 PolarHBondContact O-N 2.83Å; A172-L175 PolarHBondContact O-N 2.69Å; A172-M176 WeakPolarHBondContact O-CB 3.37Å; A172-M176 VanDerWaalsContact O-CG 3.25Å; A172-M176 WeakPolarHBondContact O-CG 3.27Å; A172-M176 PolarHBondContact O-N 3.44Å |
| 173 | H | 98.7 | Very high | 98 | Very high | 65 Ų | 65 | 46 Ų | 46 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 174.8 | -177.4 | -75.8 | 0 | 0 | 0 | 111.5 | L158 M169 L175 M176 T177 L185 | L158-H173 HydrophobicContact CD1-CB 3.94Å; M169-H173 VanDerWaalsContact O-CB 3.3Å; M169-H173 WeakPolarHBondContact O-CB 3.24Å; M169-H173 PolarHBondContact O-N 3.4Å; H173-L175 PolarHBondContact O-N 3.49Å; H173-M176 PolarHBondContact O-N 2.7Å; H173-T177 WeakPolarHBondContact O-CB 3.21Å; H173-T177 PolarHBondContact O-N 2.88Å; H173-T177 PolarHBondContact O-OG1 3.24Å; H173-L185 HydrophobicContact CB-CD2 4.4Å |
| 174 | S | 98.4 | Very high | 97.9 | Very high | 74 Ų | 74 | 43.8 Ų | 43.8 | 52% | 0.517 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.9 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | D170 A171 A172 K178 | D170-S174 VanDerWaalsContact O-CB 3.27Å; D170-S174 WeakPolarHBondContact O-CB 3.25Å; D170-S174 PolarHBondContact O-N 3.13Å; D170-S174 PolarHBondContact O-OG 2.81Å; A171-S174 PolarHBondContact O-N 3.45Å; A172-S174 VanDerWaalsContact C-N 3.34Å; A172-S174 PolarHBondContact O-N 2.83Å; S174-K178 VanDerWaalsContact O-CB 3.28Å; S174-K178 WeakPolarHBondContact O-CB 3.42Å; S174-K178 PolarHBondContact O-N 2.87Å |
| 175 | L | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.1 | -53.1 | 175.7 | 172.8 | 59.7 | 0 | 0 | 0 | 111 | I9 F25 Y30 F89 F90 A171 A172 H173 T177 K178 V179 | I9-L175 HydrophobicContact CD1-CD1 3.95Å; I9-L175 HydrophobicContact CD1-CD2 4.19Å; F25-L175 HydrophobicContact CD1-CD1 4.43Å; F25-L175 HydrophobicContact CE1-CD1 4.26Å; F25-L175 HydrophobicContact CE1-CD2 4.05Å; F25-L175 HydrophobicContact CE1-CG 4.13Å; Y30-L175 HydrophobicContact CD2-CD1 4.41Å; Y30-L175 HydrophobicContact CE1-CD1 3.85Å; Y30-L175 HydrophobicContact CE2-CD1 3.73Å; Y30-L175 WeakPolarHBondContact OH-CD1 3.46Å; F89-L175 HydrophobicContact CE2-CD2 4.34Å; F89-L175 HydrophobicContact CZ-CD1 4.16Å; F89-L175 HydrophobicContact CZ-CD2 4.15Å; F90-L175 HydrophobicContact CB-CD2 4.29Å; F90-L175 HydrophobicContact CD1-CD2 4Å; F90-L175 HydrophobicContact CD2-CD2 3.66Å; F90-L175 HydrophobicContact CE1-CD2 4.19Å; F90-L175 HydrophobicContact CE2-CD2 3.9Å; F90-L175 HydrophobicContact CG-CD2 3.73Å; F90-L175 HydrophobicContact CZ-CD2 4.15Å; A171-L175 WeakPolarHBondContact O-CB 3.17Å; A171-L175 PolarHBondContact O-N 2.8Å; A172-L175 PolarHBondContact O-N 2.69Å; H173-L175 PolarHBondContact O-N 3.49Å; L175-T177 VanDerWaalsContact C-N 3.34Å; L175-T177 PolarHBondContact O-N 3.27Å; L175-K178 PolarHBondContact O-N 3.25Å; L175-V179 HydrophobicContact CD1-CG1 4.31Å; L175-V179 WeakPolarHBondContact O-CG2 3.29Å; L175-V179 PolarHBondContact O-N 2.91Å |
| 176 | M | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | -178.5 | -66.4 | -55.1 | 167.9 | 0 | 0 | 111.6 | W21 F25 F90 V156 L158 A172 H173 V179 G180 Q181 P183 | W21-M176 HydrophobicContact CH2-CE 3.72Å; W21-M176 HydrophobicContact CH2-SD 3.53Å; W21-M176 VanDerWaalsContact CH2-SD 3.53Å; W21-M176 HydrophobicContact CZ2-CE 4.45Å; W21-M176 HydrophobicContact CZ3-CE 3.93Å; W21-M176 HydrophobicContact CZ3-SD 3.5Å; W21-M176 VanDerWaalsContact CZ3-SD 3.5Å; F25-M176 HydrophobicContact CZ-CE 4.24Å; F90-M176 HydrophobicContact CE1-CE 4.42Å; F90-M176 HydrophobicContact CZ-CE 4.02Å; V156-M176 HydrophobicContact CG1-CG 4.31Å; V156-M176 HydrophobicContact CG1-SD 4.34Å; V156-M176 HydrophobicContact CG2-SD 4.41Å; L158-M176 HydrophobicContact CD2-CG 4.24Å; A172-M176 WeakPolarHBondContact O-CB 3.37Å; A172-M176 VanDerWaalsContact O-CG 3.25Å; A172-M176 WeakPolarHBondContact O-CG 3.27Å; A172-M176 PolarHBondContact O-N 3.44Å; H173-M176 PolarHBondContact O-N 2.7Å; M176-V179 VanDerWaalsContact O-CG2 3.25Å; M176-V179 WeakPolarHBondContact O-CG2 3.23Å; M176-V179 PolarHBondContact O-N 2.81Å; M176-G180 PolarHBondContact O-N 2.88Å; M176-Q181 HydrophobicContact CB-CB 4.19Å; M176-Q181 WeakPolarHBondContact O-CA 3.46Å; M176-Q181 VanDerWaalsContact O-CB 3.31Å; M176-Q181 WeakPolarHBondContact O-CB 3.3Å; M176-Q181 PolarHBondContact O-N 3.4Å; M176-P183 HydrophobicContact CB-CB 3.85Å; M176-P183 HydrophobicContact CB-CG 3.89Å; M176-P183 HydrophobicContact CG-CB 4.49Å |
| 177 | T | 97.8 | Very high | 97.8 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 43% | 0.429 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 175.1 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | H173 L175 V179 G180 P183 | H173-T177 WeakPolarHBondContact O-CB 3.21Å; H173-T177 PolarHBondContact O-N 2.88Å; H173-T177 PolarHBondContact O-OG1 3.24Å; L175-T177 VanDerWaalsContact C-N 3.34Å; L175-T177 PolarHBondContact O-N 3.27Å; T177-V179 VanDerWaalsContact C-N 3.29Å; T177-V179 PolarHBondContact O-N 2.95Å; T177-G180 WeakPolarHBondContact O-CA 3.36Å; T177-G180 PolarHBondContact O-N 3.23Å; T177-P183 WeakPolarHBondContact OG1-CG 3.43Å |
| 178 | K | 96.4 | Very high | 97.7 | Very high | 136 Ų | 136 | 57.9 Ų | 57.9 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.4 | -35 | -178.9 | 176.4 | 168 | 164.2 | -162.4 | 0 | 112.8 | Y30 S174 L175 G180 | Y30-K178 HydrophobicContact CE2-CD 4.35Å; Y30-K178 HydrophobicContact CE2-CG 4.47Å; Y30-K178 VanDerWaalsContact OH-CD 3.31Å; Y30-K178 WeakPolarHBondContact OH-CD 3.38Å; Y30-K178 PolarHBondContact OH-NZ 2.72Å; S174-K178 VanDerWaalsContact O-CB 3.28Å; S174-K178 WeakPolarHBondContact O-CB 3.42Å; S174-K178 PolarHBondContact O-N 2.87Å; L175-K178 PolarHBondContact O-N 3.25Å; K178-G180 PolarHBondContact O-N 3.21Å |
| 179 | V | 96.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 5.9 | 175.2 | -57.2 | 0 | 0 | 0 | 0 | 113.1 | V24 F25 Y30 R63 L175 M176 T177 Q181 | V24-V179 HydrophobicContact CG1-CB 3.83Å; V24-V179 HydrophobicContact CG1-CG2 3.49Å; V24-V179 VanDerWaalsContact CG1-CG2 3.49Å; F25-V179 HydrophobicContact CD1-CG1 4Å; Y30-V179 HydrophobicContact CD2-CG1 3.86Å; Y30-V179 HydrophobicContact CE2-CG1 3.62Å; R63-V179 PolarHBondContact NH2-O 2.95Å; L175-V179 HydrophobicContact CD1-CG1 4.31Å; L175-V179 WeakPolarHBondContact O-CG2 3.29Å; L175-V179 PolarHBondContact O-N 2.91Å; M176-V179 VanDerWaalsContact O-CG2 3.25Å; M176-V179 WeakPolarHBondContact O-CG2 3.23Å; M176-V179 PolarHBondContact O-N 2.81Å; T177-V179 VanDerWaalsContact C-N 3.29Å; T177-V179 PolarHBondContact O-N 2.95Å; V179-Q181 HydrophobicContact CG2-CG 4.09Å |
| 180 | G | 95.3 | Very high | 97.6 | Very high | 33 Ų | 33 | 61.9 Ų | 61.9 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 14.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | R63 K154 M176 T177 K178 | R63-G180 VanDerWaalsContact NH2-C 3.25Å; R63-G180 PolarHBondContact NH2-O 2.82Å; K154-G180 WeakPolarHBondContact CD-O 3.21Å; M176-G180 PolarHBondContact O-N 2.88Å; T177-G180 WeakPolarHBondContact O-CA 3.36Å; T177-G180 PolarHBondContact O-N 3.23Å; K178-G180 PolarHBondContact O-N 3.21Å |
| 181 | Q | 97.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | trans | -79.5 | 167.6 | 167.2 | -63.4 | -60.4 | 93.2 | 0 | 0 | 110.6 | W21 V24 R63 P150 K154 V156 M176 V179 P183 | W21-Q181 HydrophobicContact CZ3-CG 4.41Å; V24-Q181 HydrophobicContact CG1-CG 4.04Å; R63-Q181 VanDerWaalsContact CZ-OE1 3.29Å; P150-Q181 PolarHBondContact O-NE2 3.22Å; P150-Q181 PolarHBondContact O-OE1 2.93Å; K154-Q181 CarbonylContact O-C 3.58Å; K154-Q181 WeakPolarHBondContact O-CA 3.21Å; K154-Q181 WeakPolarHBondContact O-CB 3.19Å; K154-Q181 PolarHBondContact O-NE2 3.14Å; K154-Q181 VanDerWaalsContact O-NE2 3.17Å; V156-Q181 HydrophobicContact CG2-CB 3.78Å; V156-Q181 HydrophobicContact CG2-CG 3.86Å; M176-Q181 HydrophobicContact CB-CB 4.19Å; M176-Q181 WeakPolarHBondContact O-CA 3.46Å; M176-Q181 VanDerWaalsContact O-CB 3.31Å; M176-Q181 WeakPolarHBondContact O-CB 3.3Å; M176-Q181 PolarHBondContact O-N 3.4Å; V179-Q181 HydrophobicContact CG2-CG 4.09Å; Q181-P183 VanDerWaalsContact O-CD 3.3Å; Q181-P183 WeakPolarHBondContact O-CD 3.39Å | ||
| 182 | A | 97.5 | Very high | 97 | Very high | 47 Ų | 47 | 60.7 Ų | 60.7 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 82.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | K154 L155 V156 | K154-A182 HydrophobicContact CB-CB 4.13Å; K154-A182 PolarHBondContact O-N 3.29Å; L155-A182 WeakPolarHBondContact CA-O 3.43Å; V156-A182 PolarHBondContact N-O 3.45Å; V156-A182 VanDerWaalsContact N-O 3.16Å |
| 183 | P | 98.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 10% | 0.104 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 140.9 | 179.7 | 28.1 | -34.2 | 0 | 0 | 0 | 111.7 | V156 L158 M176 T177 Q181 | V156-P183 CarbonylContact O-C 3.5Å; V156-P183 VanDerWaalsContact O-CA 3.29Å; V156-P183 WeakPolarHBondContact O-CA 3.35Å; L158-P183 HydrophobicContact CD1-CB 3.7Å; L158-P183 HydrophobicContact CG-CB 4.06Å; M176-P183 HydrophobicContact CB-CB 3.85Å; M176-P183 HydrophobicContact CB-CG 3.89Å; M176-P183 HydrophobicContact CG-CB 4.49Å; T177-P183 WeakPolarHBondContact OG1-CG 3.43Å; Q181-P183 VanDerWaalsContact O-CD 3.3Å; Q181-P183 WeakPolarHBondContact O-CD 3.39Å |
| 184 | V | 97.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 60 Ų | 60 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139.2 | 168 | -63 | 0 | 0 | 0 | 0 | 109.7 | L155 V156 E157 L158 L186 | L155-V184 HydrophobicContact CD1-CB 4.33Å; L155-V184 HydrophobicContact CD1-CG1 3.6Å; L155-V184 HydrophobicContact CD1-CG2 3.79Å; V156-V184 PolarHBondContact O-N 2.86Å; E157-V184 HydrophobicContact CB-CG2 4.29Å; E157-V184 HydrophobicContact CG-CG2 3.87Å; L158-V184 WeakPolarHBondContact CB-O 3.26Å; L158-V184 PolarHBondContact N-O 3.39Å; V184-L186 HydrophobicContact CG2-CD1 4.34Å |
| 185 | L | 98.1 | Very high | 96.8 | Very high | 89 Ų | 89 | 58.1 Ų | 58.1 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 113.2 | -177.3 | -63.4 | 172.3 | 0 | 0 | 0 | 110.2 | L158 M169 H173 | L158-L185 HydrophobicContact CB-CD2 4.04Å; L158-L185 HydrophobicContact CD1-CD2 3.86Å; M169-L185 HydrophobicContact CB-CD2 4.45Å; M169-L185 HydrophobicContact CE-CD2 3.78Å; H173-L185 HydrophobicContact CB-CD2 4.4Å |
| 186 | L | 98.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 59.9 Ų | 59.9 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | trans | -78.2 | 133 | 166.7 | -83.5 | 71.5 | 0 | 0 | 0 | 108.9 | E157 L158 V159 P160 V184 K188 F193 | E157-L186 HydrophobicContact CB-CD1 3.9Å; E157-L186 HydrophobicContact CG-CD1 4.24Å; L158-L186 PolarHBondContact O-N 3.35Å; V159-L186 HydrophobicContact CB-CB 4.47Å; V159-L186 HydrophobicContact CG1-CB 4.13Å; V159-L186 HydrophobicContact CG1-CD2 4.11Å; V159-L186 HydrophobicContact CG2-CB 4.33Å; V159-L186 HydrophobicContact CG2-CD1 4.32Å; V159-L186 HydrophobicContact CG2-CD2 3.89Å; V159-L186 HydrophobicContact CG2-CG 4.39Å; P160-L186 WeakPolarHBondContact CD-O 3.48Å; P160-L186 WeakPolarHBondContact CG-O 3.38Å; V184-L186 HydrophobicContact CG2-CD1 4.34Å; L186-K188 VanDerWaalsContact C-N 3.31Å; L186-F193 HydrophobicContact CD2-CB 3.84Å; L186-F193 HydrophobicContact CD2-CD1 4.26Å; L186-F193 HydrophobicContact CD2-CG 4.38Å | ||
| 187 | R | 96.6 | Very high | 96.6 | Very high | 252 Ų | 252 | 66 Ų | 66 | 95% | 0.951 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -74.6 | -24.1 | 179.9 | -65.1 | -176.4 | -179.1 | 176.1 | 0.1 | 113.2 | ||
| 188 | K | 95.7 | Very high | 96.6 | Very high | 159 Ų | 159 | 66.8 Ų | 66.8 | 69% | 0.691 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -155 | 155.9 | 179.1 | 62.2 | 177.8 | -177.3 | 175.8 | 0 | 109.3 | L186 | L186-K188 VanDerWaalsContact C-N 3.31Š|
| 189 | E | 97.1 | Very high | 96.7 | Very high | 48 Ų | 48 | 65.2 Ų | 65.2 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | trans | -66.2 | 147.6 | 170.3 | 60.5 | 178.1 | -149.1 | 0 | 0 | 112.3 | V127 P128 S129 V159 | V127-E189 HydrophobicContact CB-CB 4.21Å; V127-E189 HydrophobicContact CB-CG 4.43Å; V127-E189 HydrophobicContact CG1-CB 4.29Å; P128-E189 WeakPolarHBondContact CD-OE2 3.43Å; P128-E189 HydrophobicContact CG-CB 4.23Å; S129-E189 WeakPolarHBondContact CB-OE1 3.47Å; S129-E189 WeakPolarHBondContact CB-OE2 3.32Å; S129-E189 PolarHBondContact N-OE2 3.4Å; S129-E189 VanDerWaalsContact OG-CD 3.27Å; S129-E189 PolarHBondContact OG-OE1 2.93Å; S129-E189 PolarHBondContact OG-OE2 2.97Å; V159-E189 HydrophobicContact CG1-CB 4.08Å | ||
| 190 | I | 96.8 | Very high | 96.7 | Very high | 68 Ų | 68 | 67.5 Ų | 67.5 | 35% | 0.349 | 36% | 0.356 | S | S | . | . | trans | -154.8 | 145 | 171.3 | -171.5 | 168.2 | 0 | 0 | 0 | 107.8 | G192 F193 | I190-G192 PolarHBondContact O-N 3.28Å; I190-F193 VanDerWaalsContact O-CD1 3.26Å; I190-F193 WeakPolarHBondContact O-CD1 3.34Å; I190-F193 PolarHBondContact O-N 3.13Å | ||
| 191 | D | 92.9 | Very high | 96.8 | Very high | 105 Ų | 105 | 68.9 Ų | 68.9 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 127.8 | 174.7 | 179.9 | 44.1 | 0 | 0 | 0 | 111.3 | F193 R197 | D191-F193 VanDerWaalsContact C-N 3.27Å; D191-F193 PolarHBondContact O-N 3.31Å; D191-R197 PolarHBondContact O-NH1 3.13Å; D191-R197 VanDerWaalsContact O-NH1 3.08Å |
| 192 | G | 91.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 71.6 Ų | 71.6 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 8.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | I190 N196 | I190-G192 PolarHBondContact O-N 3.28Å; G192-N196 VanDerWaalsContact O-CB 3.27Å; G192-N196 WeakPolarHBondContact O-CB 3.48Å; G192-N196 PolarHBondContact O-N 3.45Å |
| 193 | F | 97.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 0% | 0.004 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -145 | 177.6 | -50.7 | -37.7 | 0 | 0 | 0 | 113 | T123 L126 V143 H145 E157 V159 L186 I190 D191 R197 | T123-F193 HydrophobicContact CG2-CE2 4.47Å; T123-F193 HydrophobicContact CG2-CZ 4.28Å; T123-F193 WeakPolarHBondContact O-CE2 3.48Å; L126-F193 WeakPolarHBondContact O-CZ 3.46Å; V143-F193 HydrophobicContact CB-CZ 4.31Å; V143-F193 HydrophobicContact CG1-CE2 3.76Å; V143-F193 HydrophobicContact CG1-CZ 3.84Å; V143-F193 HydrophobicContact CG2-CZ 4.27Å; H145-F193 HydrophobicContact CB-CD2 4.06Å; H145-F193 HydrophobicContact CB-CE2 4.1Å; H145-F193 AromaticContact ND1-CD2 3.87Å; E157-F193 VanDerWaalsContact OE2-CB 3.3Å; E157-F193 WeakPolarHBondContact OE2-CB 3.39Å; V159-F193 HydrophobicContact CB-CD1 4.34Å; V159-F193 HydrophobicContact CB-CE1 4.16Å; V159-F193 HydrophobicContact CG1-CD1 4Å; V159-F193 HydrophobicContact CG1-CE1 3.91Å; V159-F193 HydrophobicContact CG2-CD1 3.68Å; V159-F193 HydrophobicContact CG2-CD2 4.23Å; V159-F193 HydrophobicContact CG2-CE1 3.84Å; V159-F193 HydrophobicContact CG2-CE2 4.36Å; V159-F193 HydrophobicContact CG2-CG 3.9Å; V159-F193 HydrophobicContact CG2-CZ 4.18Å; L186-F193 HydrophobicContact CD2-CB 3.84Å; L186-F193 HydrophobicContact CD2-CD1 4.26Å; L186-F193 HydrophobicContact CD2-CG 4.38Å; I190-F193 VanDerWaalsContact O-CD1 3.26Å; I190-F193 WeakPolarHBondContact O-CD1 3.34Å; I190-F193 PolarHBondContact O-N 3.13Å; D191-F193 VanDerWaalsContact C-N 3.27Å; D191-F193 PolarHBondContact O-N 3.31Å; F193-R197 WeakPolarHBondContact O-CD 3.45Å; F193-R197 WeakPolarHBondContact O-CG 3.28Å |
| 194 | A | 97.2 | Very high | 96.8 | Very high | 49 Ų | 49 | 73 Ų | 73 | 41% | 0.405 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -45.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | E157 N196 R197 V198 | E157-A194 VanDerWaalsContact OE1-CA 3.23Å; E157-A194 WeakPolarHBondContact OE1-CA 3.49Å; E157-A194 WeakPolarHBondContact OE1-CB 3.48Å; E157-A194 PolarHBondContact OE1-N 3.02Å; A194-N196 PolarHBondContact O-N 2.85Å; A194-R197 PolarHBondContact O-N 3.43Å; A194-V198 WeakPolarHBondContact O-CG2 3.38Å; A194-V198 PolarHBondContact O-N 3.5Å |
| 195 | V | 96.7 | Very high | 96.9 | Very high | 36 Ų | 36 | 72.1 Ų | 72.1 | 22% | 0.218 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.3 | -53 | -176.5 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | V147 L155 E157 R197 V198 Q199 | V147-V195 HydrophobicContact CG2-CG1 4.29Å; V147-V195 HydrophobicContact CG2-CG2 4.34Å; L155-V195 HydrophobicContact CD2-CG2 3.4Å; E157-V195 HydrophobicContact CG-CG2 4.04Å; E157-V195 PolarHBondContact OE1-N 2.83Å; V195-R197 VanDerWaalsContact C-N 3.28Å; V195-R197 PolarHBondContact O-N 3.39Å; V195-V198 PolarHBondContact O-N 2.94Å; V195-Q199 WeakPolarHBondContact O-CB 3.47Å; V195-Q199 PolarHBondContact O-N 2.94Å |
| 196 | N | 96.6 | Very high | 96.8 | Very high | 41 Ų | 41 | 69.4 Ų | 69.4 | 22% | 0.219 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.6 | -26.2 | -176.8 | -67.7 | -43.5 | 0 | 0 | 0 | 112.2 | S124 G192 A194 A200 | S124-N196 PolarHBondContact O-ND2 3.31Å; G192-N196 VanDerWaalsContact O-CB 3.27Å; G192-N196 WeakPolarHBondContact O-CB 3.48Å; G192-N196 PolarHBondContact O-N 3.45Å; A194-N196 PolarHBondContact O-N 2.85Å; N196-A200 WeakPolarHBondContact O-CB 2.8Å; N196-A200 PolarHBondContact O-N 3.48Å |
| 197 | R | 97.1 | Very high | 96.8 | Very high | 130 Ų | 130 | 70 Ų | 70 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.3 | -42.9 | 173.8 | -66 | -172.3 | 76.1 | 74.1 | 8.1 | 112.5 | D191 F193 A194 V195 A201 | D191-R197 PolarHBondContact O-NH1 3.13Å; D191-R197 VanDerWaalsContact O-NH1 3.08Å; F193-R197 WeakPolarHBondContact O-CD 3.45Å; F193-R197 WeakPolarHBondContact O-CG 3.28Å; A194-R197 PolarHBondContact O-N 3.43Å; V195-R197 VanDerWaalsContact C-N 3.28Å; V195-R197 PolarHBondContact O-N 3.39Å; R197-A201 PolarHBondContact O-N 3.2Å; R197-A201 VanDerWaalsContact O-N 3.09Å |
| 198 | V | 97.8 | Very high | 96.8 | Very high | 86 Ų | 86 | 59.3 Ų | 59.3 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 173.6 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | A194 V195 A200 A201 I202 | A194-V198 WeakPolarHBondContact O-CG2 3.38Å; A194-V198 PolarHBondContact O-N 3.5Å; V195-V198 PolarHBondContact O-N 2.94Å; V198-A200 PolarHBondContact O-N 3.49Å; V198-A201 PolarHBondContact O-N 3.27Å; V198-I202 HydrophobicContact CG1-CD1 4.27Å; V198-I202 WeakPolarHBondContact O-CG1 3.15Å; V198-I202 PolarHBondContact O-N 3.49Å |
| 199 | Q | 97.6 | Very high | 96.8 | Very high | 103 Ų | 103 | 54.1 Ų | 54.1 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 177.1 | -174.5 | 179 | -81.8 | 0 | 0 | 111.9 | V195 A201 I202 I203 | V195-Q199 WeakPolarHBondContact O-CB 3.47Å; V195-Q199 PolarHBondContact O-N 2.94Å; Q199-A201 VanDerWaalsContact C-N 3.31Å; Q199-A201 PolarHBondContact O-N 3.34Å; Q199-I202 PolarHBondContact O-N 2.57Å; Q199-I203 HydrophobicContact CG-CD1 3.78Å; Q199-I203 HydrophobicContact CG-CG1 4.39Å; Q199-I203 WeakPolarHBondContact O-CG1 3.43Å; Q199-I203 PolarHBondContact O-N 3.03Å |
| 200 | A | 97 | Very high | 96.8 | Very high | 53 Ų | 53 | 52.6 Ų | 52.6 | 44% | 0.438 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N196 V198 I203 A204 | N196-A200 WeakPolarHBondContact O-CB 2.8Å; N196-A200 PolarHBondContact O-N 3.48Å; V198-A200 PolarHBondContact O-N 3.49Å; A200-I203 PolarHBondContact O-N 3.1Å; A200-A204 WeakPolarHBondContact O-CB 3.4Å; A200-A204 PolarHBondContact O-N 3.1Å |
| 201 | A | 97.8 | Very high | 96.6 | Very high | 62 Ų | 62 | 52.4 Ų | 52.4 | 51% | 0.512 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | R197 V198 Q199 E205 | R197-A201 PolarHBondContact O-N 3.2Å; R197-A201 VanDerWaalsContact O-N 3.09Å; V198-A201 PolarHBondContact O-N 3.27Å; Q199-A201 VanDerWaalsContact C-N 3.31Å; Q199-A201 PolarHBondContact O-N 3.34Å; A201-E205 PolarHBondContact O-N 2.86Å |
| 202 | I | 98.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 33% | 0.333 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.8 | -50.6 | 175.5 | -63.5 | 166.7 | 0 | 0 | 0 | 110 | V198 Q199 A204 E205 S206 M224 | V198-I202 HydrophobicContact CG1-CD1 4.27Å; V198-I202 WeakPolarHBondContact O-CG1 3.15Å; V198-I202 PolarHBondContact O-N 3.49Å; Q199-I202 PolarHBondContact O-N 2.57Å; I202-A204 VanDerWaalsContact C-N 3.3Å; I202-A204 PolarHBondContact O-N 3.1Å; I202-E205 PolarHBondContact O-N 3.32Å; I202-S206 WeakPolarHBondContact O-CB 3.2Å; I202-S206 PolarHBondContact O-N 3.04Å; I202-S206 PolarHBondContact O-OG 3.25Å; I202-S206 VanDerWaalsContact O-OG 3.14Å; I202-M224 HydrophobicContact CD1-CE 4.43Å; I202-M224 HydrophobicContact CG2-CE 3.91Å |
| 203 | I | 98 | Very high | 96.7 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 179.5 | -71 | 170.9 | 0 | 0 | 0 | 110.9 | Q199 A200 E205 S206 W207 F273 | Q199-I203 HydrophobicContact CG-CD1 3.78Å; Q199-I203 HydrophobicContact CG-CG1 4.39Å; Q199-I203 WeakPolarHBondContact O-CG1 3.43Å; Q199-I203 PolarHBondContact O-N 3.03Å; A200-I203 PolarHBondContact O-N 3.1Å; I203-E205 VanDerWaalsContact C-N 3.34Å; I203-E205 PolarHBondContact O-N 3.04Å; I203-S206 PolarHBondContact O-N 3.19Å; I203-W207 WeakPolarHBondContact O-CB 3.45Å; I203-W207 PolarHBondContact O-N 2.86Å; I203-F273 HydrophobicContact CG2-CE1 3.81Å; I203-F273 HydrophobicContact CG2-CZ 4.13Å |
| 204 | A | 97.8 | Very high | 96.7 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A200 I202 R208 P271 | A200-A204 WeakPolarHBondContact O-CB 3.4Å; A200-A204 PolarHBondContact O-N 3.1Å; I202-A204 VanDerWaalsContact C-N 3.3Å; I202-A204 PolarHBondContact O-N 3.1Å; A204-R208 WeakPolarHBondContact O-CG 3.26Å; A204-R208 PolarHBondContact O-N 3.1Å; A204-P271 HydrophobicContact CB-CG 4.42Å |
| 205 | E | 98.1 | Very high | 96.7 | Very high | 43 Ų | 43 | 60 Ų | 60 | 20% | 0.201 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -76.8 | -43 | 178.9 | -175.4 | 59.9 | -171.2 | 0 | 0 | 112.6 | A201 I202 I203 W207 R208 L209 F267 | A201-E205 PolarHBondContact O-N 2.86Å; I202-E205 PolarHBondContact O-N 3.32Å; I203-E205 VanDerWaalsContact C-N 3.34Å; I203-E205 PolarHBondContact O-N 3.04Å; E205-W207 PolarHBondContact O-N 2.81Å; E205-R208 VanDerWaalsContact CA-NH2 3.34Å; E205-R208 PolarHBondContact O-N 3.33Å; E205-R208 VanDerWaalsContact O-N 3.14Å; E205-R208 IonicContact OE2-CZ 3.56Å; E205-R208 IonicContact OE2-NE 3.6Å; E205-R208 PolarHBondContact OE2-NE 3.24Å; E205-R208 IonicContact OE2-NH2 3.87Å; E205-R208 PolarHBondContact OE2-NH2 3.02Å; E205-L209 HydrophobicContact CG-CD1 4.2Å; E205-L209 HydrophobicContact CG-CG 4.46Å; E205-L209 WeakPolarHBondContact O-CG 3.35Å; E205-L209 PolarHBondContact O-N 3.32Å; E205-F267 HydrophobicContact CB-CE2 4.02Å; E205-F267 HydrophobicContact CB-CZ 4.26Å; E205-F267 VanDerWaalsContact CD-CZ 3.44Å; E205-F267 HydrophobicContact CG-CE1 4.26Å; E205-F267 HydrophobicContact CG-CE2 3.92Å; E205-F267 HydrophobicContact CG-CZ 3.67Å; E205-F267 WeakPolarHBondContact OE2-CD2 3.35Å; E205-F267 WeakPolarHBondContact OE2-CE2 3.44Å |
| 206 | S | 97.7 | Very high | 96.8 | Very high | 33 Ų | 33 | 60 Ų | 60 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.8 | -41.1 | 173.3 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | I202 I203 L209 V210 | I202-S206 WeakPolarHBondContact O-CB 3.2Å; I202-S206 PolarHBondContact O-N 3.04Å; I202-S206 PolarHBondContact O-OG 3.25Å; I202-S206 VanDerWaalsContact O-OG 3.14Å; I203-S206 PolarHBondContact O-N 3.19Å; S206-L209 PolarHBondContact O-N 3.27Å; S206-V210 WeakPolarHBondContact O-CG2 3.37Å; S206-V210 PolarHBondContact O-N 3.43Å; S206-V210 VanDerWaalsContact O-N 3.09Å |
| 207 | W | 97.1 | Very high | 96.8 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -47 | 176.7 | -171.8 | -81.4 | 0 | 0 | 0 | 112.3 | I203 E205 L209 V210 Q211 P271 F273 A278 V281 | I203-W207 WeakPolarHBondContact O-CB 3.45Å; I203-W207 PolarHBondContact O-N 2.86Å; E205-W207 PolarHBondContact O-N 2.81Å; W207-L209 PolarHBondContact O-N 3.35Å; W207-V210 PolarHBondContact O-N 2.92Å; W207-Q211 WeakPolarHBondContact O-CB 3.36Å; W207-Q211 PolarHBondContact O-N 3.18Å; W207-P271 HydrophobicContact CB-CG 4.24Å; W207-P271 VanDerWaalsContact CD1-CB 3.44Å; W207-P271 HydrophobicContact CG-CB 4.03Å; W207-P271 HydrophobicContact CG-CG 4.25Å; W207-F273 HydrophobicContact CB-CE1 4.2Å; W207-F273 AromaticContact CD2-CD1 3.68Å; W207-F273 HydrophobicContact CD2-CD1 3.68Å; W207-F273 AromaticContact CD2-CE1 3.95Å; W207-F273 HydrophobicContact CD2-CE1 3.95Å; W207-F273 AromaticContact CE2-CD1 3.96Å; W207-F273 AromaticContact CE3-CD1 3.78Å; W207-F273 HydrophobicContact CE3-CD1 3.78Å; W207-F273 HydrophobicContact CE3-CE1 4.11Å; W207-F273 HydrophobicContact CG-CD1 4.14Å; W207-F273 AromaticContact CG-CE1 3.99Å; W207-F273 HydrophobicContact CG-CE1 3.99Å; W207-F273 HydrophobicContact CH2-CD1 4.31Å; W207-F273 HydrophobicContact CZ2-CB 4.5Å; W207-F273 HydrophobicContact CZ2-CD1 4.27Å; W207-F273 HydrophobicContact CZ3-CD1 4.1Å; W207-A278 HydrophobicContact CH2-CB 3.71Å; W207-A278 HydrophobicContact CZ2-CB 3.68Å; W207-V281 HydrophobicContact CE3-CG1 4.3Å; W207-V281 HydrophobicContact CH2-CB 4.07Å; W207-V281 HydrophobicContact CH2-CG1 4.23Å; W207-V281 HydrophobicContact CH2-CG2 4.17Å; W207-V281 HydrophobicContact CZ2-CG2 4.41Å; W207-V281 HydrophobicContact CZ3-CB 4.07Å; W207-V281 HydrophobicContact CZ3-CG1 3.72Å; W207-V281 HydrophobicContact CZ3-CG2 4.21Å |
| 208 | R | 96.1 | Very high | 96.8 | Very high | 29 Ų | 29 | 57.8 Ų | 57.8 | 11% | 0.109 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 177 | -77.1 | -174.9 | -70.6 | -88.9 | -6.5 | 111.5 | A204 E205 V210 Q211 D212 F267 P269 P271 | A204-R208 WeakPolarHBondContact O-CG 3.26Å; A204-R208 PolarHBondContact O-N 3.1Å; E205-R208 VanDerWaalsContact CA-NH2 3.34Å; E205-R208 PolarHBondContact O-N 3.33Å; E205-R208 VanDerWaalsContact O-N 3.14Å; E205-R208 IonicContact OE2-CZ 3.56Å; E205-R208 IonicContact OE2-NE 3.6Å; E205-R208 PolarHBondContact OE2-NE 3.24Å; E205-R208 IonicContact OE2-NH2 3.87Å; E205-R208 PolarHBondContact OE2-NH2 3.02Å; R208-V210 VanDerWaalsContact C-N 3.32Å; R208-V210 PolarHBondContact O-N 3.37Å; R208-Q211 PolarHBondContact O-N 3.42Å; R208-D212 WeakPolarHBondContact O-CB 2.95Å; R208-D212 PolarHBondContact O-N 2.81Å; R208-F267 VanDerWaalsContact NH2-CD2 3.31Å; R208-P269 PolarHBondContact NH1-O 3.33Å; R208-P269 VanDerWaalsContact NH1-O 3.16Å; R208-P271 HydrophobicContact CG-CG 4.11Å |
| 209 | L | 97 | Very high | 96.9 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | -179.3 | -66.8 | 171.8 | 0 | 0 | 0 | 112.4 | E205 S206 W207 G213 V214 I215 I220 | E205-L209 HydrophobicContact CG-CD1 4.2Å; E205-L209 HydrophobicContact CG-CG 4.46Å; E205-L209 WeakPolarHBondContact O-CG 3.35Å; E205-L209 PolarHBondContact O-N 3.32Å; S206-L209 PolarHBondContact O-N 3.27Å; W207-L209 PolarHBondContact O-N 3.35Å; L209-G213 PolarHBondContact O-N 3.49Å; L209-V214 HydrophobicContact CB-CB 4.41Å; L209-V214 HydrophobicContact CD2-CB 4.18Å; L209-V214 HydrophobicContact CD2-CG1 4.08Å; L209-V214 HydrophobicContact CD2-CG2 4.27Å; L209-V214 WeakPolarHBondContact O-CB 3.46Å; L209-V214 PolarHBondContact O-N 3.34Å; L209-I215 HydrophobicContact CB-CG2 3.84Å; L209-I215 PolarHBondContact O-N 3.35Å; L209-I220 HydrophobicContact CD1-CD1 4.17Å |
| 210 | V | 96.3 | Very high | 96.9 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71 | -46.1 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | S206 W207 R208 D212 G213 I215 V217 I220 V281 | S206-V210 WeakPolarHBondContact O-CG2 3.37Å; S206-V210 PolarHBondContact O-N 3.43Å; S206-V210 VanDerWaalsContact O-N 3.09Å; W207-V210 PolarHBondContact O-N 2.92Å; R208-V210 VanDerWaalsContact C-N 3.32Å; R208-V210 PolarHBondContact O-N 3.37Å; V210-D212 VanDerWaalsContact C-N 3.28Å; V210-D212 PolarHBondContact O-N 3.13Å; V210-G213 PolarHBondContact O-N 3.44Å; V210-I215 WeakPolarHBondContact CA-O 3.04Å; V210-I215 HydrophobicContact CG2-CG2 4.13Å; V210-V217 HydrophobicContact CG1-CG2 3.74Å; V210-I220 HydrophobicContact CG2-CB 4.2Å; V210-I220 HydrophobicContact CG2-CG2 3.65Å; V210-V281 HydrophobicContact CG1-CG2 3.77Å |
| 211 | Q | 92.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.9 | -40.5 | -179.4 | 169.7 | 169.6 | -35.4 | 0 | 0 | 112.3 | W207 R208 G213 P277 | W207-Q211 WeakPolarHBondContact O-CB 3.36Å; W207-Q211 PolarHBondContact O-N 3.18Å; R208-Q211 PolarHBondContact O-N 3.42Å; Q211-G213 PolarHBondContact O-N 2.63Å; Q211-P277 HydrophobicContact CG-CB 3.89Å; Q211-P277 HydrophobicContact CG-CG 4.29Å |
| 212 | D | 93 | Very high | 97 | Very high | 114 Ų | 114 | 55.2 Ų | 55.2 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.3 | -179.9 | -65 | -15.9 | 0 | 0 | 0 | 112.6 | R208 V210 V214 | R208-D212 WeakPolarHBondContact O-CB 2.95Å; R208-D212 PolarHBondContact O-N 2.81Å; V210-D212 VanDerWaalsContact C-N 3.28Å; V210-D212 PolarHBondContact O-N 3.13Å; D212-V214 VanDerWaalsContact C-N 3.29Å; D212-V214 HydrophobicContact CB-CG2 4.27Å; D212-V214 PolarHBondContact O-N 3.03Å |
| 213 | G | 93.8 | Very high | 97 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 66% | 0.66 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 19.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L209 V210 Q211 I215 | L209-G213 PolarHBondContact O-N 3.49Å; V210-G213 PolarHBondContact O-N 3.44Å; Q211-G213 PolarHBondContact O-N 2.63Å; G213-I215 VanDerWaalsContact C-N 3.34Å |
| 214 | V | 97.2 | Very high | 97 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 62% | 0.624 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -70.9 | -34.6 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | L209 D212 | L209-V214 HydrophobicContact CB-CB 4.41Å; L209-V214 HydrophobicContact CD2-CB 4.18Å; L209-V214 HydrophobicContact CD2-CG1 4.08Å; L209-V214 HydrophobicContact CD2-CG2 4.27Å; L209-V214 WeakPolarHBondContact O-CB 3.46Å; L209-V214 PolarHBondContact O-N 3.34Å; D212-V214 VanDerWaalsContact C-N 3.29Å; D212-V214 HydrophobicContact CB-CG2 4.27Å; D212-V214 PolarHBondContact O-N 3.03Å |
| 215 | I | 98.1 | Very high | 97 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 22% | 0.221 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -152.6 | 152.9 | -175.8 | -167.4 | 164 | 0 | 0 | 0 | 110.9 | L209 V210 G213 D219 I220 V223 | L209-I215 HydrophobicContact CB-CG2 3.84Å; L209-I215 PolarHBondContact O-N 3.35Å; V210-I215 WeakPolarHBondContact CA-O 3.04Å; V210-I215 HydrophobicContact CG2-CG2 4.13Å; G213-I215 VanDerWaalsContact C-N 3.34Å; I215-D219 HydrophobicContact CD1-CB 3.86Å; I215-D219 HydrophobicContact CG1-CB 3.61Å; I215-I220 HydrophobicContact CD1-CB 4.29Å; I215-I220 HydrophobicContact CD1-CD1 4.44Å; I215-I220 HydrophobicContact CG1-CB 4.45Å; I215-I220 HydrophobicContact CG2-CB 3.91Å; I215-I220 HydrophobicContact CG2-CD1 4.22Å; I215-I220 HydrophobicContact CG2-CG1 4.37Å; I215-V223 HydrophobicContact CD1-CG2 3.95Å |
| 216 | S | 97.6 | Very high | 97 | Very high | 36 Ų | 36 | 61.3 Ų | 61.3 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | trans | -76.8 | 162.3 | 175.8 | 74.3 | 0 | 0 | 0 | 0 | 112.2 | K218 D219 I220 | S216-K218 VanDerWaalsContact C-N 3.26Å; S216-K218 PolarHBondContact O-N 3.49Å; S216-D219 PolarHBondContact O-N 3.4Å; S216-D219 WeakPolarHBondContact OG-CB 3.45Å; S216-D219 PolarHBondContact OG-N 3Å; S216-D219 PolarHBondContact OG-OD2 3.49Å; S216-I220 WeakPolarHBondContact O-CG2 3.28Å; S216-I220 PolarHBondContact O-N 2.92Å | ||
| 217 | V | 97.1 | Very high | 97 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58 | -40.6 | 173.2 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | V210 I220 D221 V281 E284 M285 | V210-V217 HydrophobicContact CG1-CG2 3.74Å; V217-I220 VanDerWaalsContact O-CG2 3.25Å; V217-I220 WeakPolarHBondContact O-CG2 3.48Å; V217-D221 PolarHBondContact O-N 2.91Å; V217-V281 HydrophobicContact CG2-CB 4.33Å; V217-V281 HydrophobicContact CG2-CG1 3.91Å; V217-V281 HydrophobicContact CG2-CG2 4.45Å; V217-E284 HydrophobicContact CB-CB 3.87Å; V217-E284 WeakPolarHBondContact CB-OE2 3.3Å; V217-E284 HydrophobicContact CG2-CB 3.75Å; V217-E284 HydrophobicContact CG2-CG 4.43Å; V217-E284 WeakPolarHBondContact CG2-OE2 3.27Å; V217-E284 PolarHBondContact N-OE2 2.96Å; V217-M285 HydrophobicContact CG1-CB 4.31Å; V217-M285 HydrophobicContact CG1-CE 3.52Å; V217-M285 HydrophobicContact CG1-SD 4.45Å |
| 218 | K | 97.6 | Very high | 97.1 | Very high | 119 Ų | 119 | 62.9 Ų | 62.9 | 52% | 0.517 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 178.6 | -176.1 | -174.3 | 173.4 | -172.5 | 0 | 111.6 | S216 D221 L222 L288 | S216-K218 VanDerWaalsContact C-N 3.26Å; S216-K218 PolarHBondContact O-N 3.49Å; K218-D221 PolarHBondContact O-N 2.84Å; K218-L222 WeakPolarHBondContact O-CG 3.44Å; K218-L222 PolarHBondContact O-N 3.2Å; K218-L288 HydrophobicContact CB-CD1 3.92Å; K218-L288 HydrophobicContact CB-CD2 4.37Å; K218-L288 HydrophobicContact CD-CD2 4.19Å; K218-L288 HydrophobicContact CG-CD1 4.29Å; K218-L288 HydrophobicContact CG-CD2 4.24Å |
| 219 | D | 98.4 | Very high | 97.2 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -77.8 | -31.3 | -171.4 | -61.9 | -37.4 | 0 | 0 | 0 | 111.8 | I215 S216 D221 L222 V223 | I215-D219 HydrophobicContact CD1-CB 3.86Å; I215-D219 HydrophobicContact CG1-CB 3.61Å; S216-D219 PolarHBondContact O-N 3.4Å; S216-D219 WeakPolarHBondContact OG-CB 3.45Å; S216-D219 PolarHBondContact OG-N 3Å; S216-D219 PolarHBondContact OG-OD2 3.49Å; D219-D221 VanDerWaalsContact C-N 3.29Å; D219-D221 PolarHBondContact O-N 3.24Å; D219-L222 PolarHBondContact O-N 2.58Å; D219-V223 WeakPolarHBondContact O-CG2 3.34Å; D219-V223 PolarHBondContact O-N 2.93Å |
| 220 | I | 98.2 | Very high | 97.2 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 10% | 0.103 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 173.1 | -168.6 | 57.5 | 0 | 0 | 0 | 111.8 | L209 V210 I215 S216 V217 V223 M224 | L209-I220 HydrophobicContact CD1-CD1 4.17Å; V210-I220 HydrophobicContact CG2-CB 4.2Å; V210-I220 HydrophobicContact CG2-CG2 3.65Å; I215-I220 HydrophobicContact CD1-CB 4.29Å; I215-I220 HydrophobicContact CD1-CD1 4.44Å; I215-I220 HydrophobicContact CG1-CB 4.45Å; I215-I220 HydrophobicContact CG2-CB 3.91Å; I215-I220 HydrophobicContact CG2-CD1 4.22Å; I215-I220 HydrophobicContact CG2-CG1 4.37Å; S216-I220 WeakPolarHBondContact O-CG2 3.28Å; S216-I220 PolarHBondContact O-N 2.92Å; V217-I220 VanDerWaalsContact O-CG2 3.25Å; V217-I220 WeakPolarHBondContact O-CG2 3.48Å; I220-V223 PolarHBondContact O-N 3.25Å; I220-M224 PolarHBondContact O-N 2.81Å |
| 221 | D | 98.1 | Very high | 97.3 | Very high | 84 Ų | 84 | 69.6 Ų | 69.6 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | 172.9 | -87.3 | -5.1 | 0 | 0 | 0 | 111.5 | V217 K218 D219 M224 S225 | V217-D221 PolarHBondContact O-N 2.91Å; K218-D221 PolarHBondContact O-N 2.84Å; D219-D221 VanDerWaalsContact C-N 3.29Å; D219-D221 PolarHBondContact O-N 3.24Å; D221-M224 WeakPolarHBondContact O-CB 3.43Å; D221-M224 PolarHBondContact O-N 2.71Å; D221-S225 PolarHBondContact O-N 2.69Å; D221-S225 PolarHBondContact O-OG 2.75Å |
| 222 | L | 98.4 | Very high | 97.5 | Very high | 72 Ų | 72 | 71.1 Ų | 71.1 | 38% | 0.377 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 174.8 | -71.2 | 174.8 | 0 | 0 | 0 | 112.9 | K218 D219 M224 S225 E226 | K218-L222 WeakPolarHBondContact O-CG 3.44Å; K218-L222 PolarHBondContact O-N 3.2Å; D219-L222 PolarHBondContact O-N 2.58Å; L222-M224 PolarHBondContact O-N 3.42Å; L222-S225 PolarHBondContact O-N 3.25Å; L222-E226 HydrophobicContact CD2-CG 3.93Å; L222-E226 WeakPolarHBondContact O-CB 3.28Å; L222-E226 PolarHBondContact O-N 2.95Å |
| 223 | V | 98.6 | Very high | 97.7 | Very high | 73 Ų | 73 | 67 Ų | 67 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.3 | -34.6 | 172.5 | 169 | 0 | 0 | 0 | 0 | 111 | I215 D219 I220 G227 L228 | I215-V223 HydrophobicContact CD1-CG2 3.95Å; D219-V223 WeakPolarHBondContact O-CG2 3.34Å; D219-V223 PolarHBondContact O-N 2.93Å; I220-V223 PolarHBondContact O-N 3.25Å; V223-G227 WeakPolarHBondContact O-CA 3.42Å; V223-L228 PolarHBondContact O-N 3.42Å |
| 224 | M | 98.4 | Very high | 97.8 | Very high | 55 Ų | 55 | 69.1 Ų | 69.1 | 27% | 0.271 | 37% | 0.365 | S | S | . | . | I | π-helix | trans | -80.2 | -60 | 173.3 | -170.5 | 58.2 | 62.5 | 0 | 0 | 111.6 | I202 I220 D221 L222 E226 G227 L228 G229 | I202-M224 HydrophobicContact CD1-CE 4.43Å; I202-M224 HydrophobicContact CG2-CE 3.91Å; I220-M224 PolarHBondContact O-N 2.81Å; D221-M224 WeakPolarHBondContact O-CB 3.43Å; D221-M224 PolarHBondContact O-N 2.71Å; L222-M224 PolarHBondContact O-N 3.42Å; M224-E226 PolarHBondContact O-N 3.05Å; M224-G227 PolarHBondContact O-N 3.46Å; M224-L228 HydrophobicContact CE-CB 4.2Å; M224-L228 HydrophobicContact CE-CD1 4.39Å; M224-L228 PolarHBondContact O-N 2.72Å; M224-L228 HydrophobicContact SD-CB 3.85Å; M224-G229 WeakPolarHBondContact O-CA 3.38Å; M224-G229 PolarHBondContact O-N 3.29Å; M224-G229 PolarHBondContact SD-N 2.94Å; M224-G229 VanDerWaalsContact SD-N 3.42Å |
| 225 | S | 97.8 | Very high | 97.8 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 44% | 0.441 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -65.8 | -37.2 | -168.3 | 70 | 0 | 0 | 0 | 0 | 113.8 | D221 L222 M230 | D221-S225 PolarHBondContact O-N 2.69Å; D221-S225 PolarHBondContact O-OG 2.75Å; L222-S225 PolarHBondContact O-N 3.25Å; S225-M230 WeakPolarHBondContact O-CG 3.46Å |
| 226 | E | 98.1 | Very high | 97.7 | Very high | 138 Ų | 138 | 65.9 Ų | 65.9 | 65% | 0.645 | 35% | 0.353 | S | S | * | . | I | π-helix | trans | -100.5 | 0.9 | -179.7 | -55.5 | -56.6 | 139.2 | 0 | 0 | 112.7 | L222 M224 | L222-E226 HydrophobicContact CD2-CG 3.93Å; L222-E226 WeakPolarHBondContact O-CB 3.28Å; L222-E226 PolarHBondContact O-N 2.95Å; M224-E226 PolarHBondContact O-N 3.05Å |
| 227 | G | 98.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 67.4 Ų | 67.4 | 32% | 0.32 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -131.1 | -99.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | V223 M224 G229 M230 | V223-G227 WeakPolarHBondContact O-CA 3.42Å; M224-G227 PolarHBondContact O-N 3.46Å; G227-G229 VanDerWaalsContact C-N 3.33Å; G227-G229 PolarHBondContact O-N 3.36Å; G227-M230 PolarHBondContact O-N 3.4Å |
| 228 | L | 97.9 | Very high | 97.8 | Very high | 69 Ų | 69 | 73.6 Ų | 73.6 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | I | π-helix | trans | -63.5 | -37.1 | -173.3 | -70.7 | 176 | 0 | 0 | 0 | 113.1 | V223 M224 M230 R231 Y232 | V223-L228 PolarHBondContact O-N 3.42Å; M224-L228 HydrophobicContact CE-CB 4.2Å; M224-L228 HydrophobicContact CE-CD1 4.39Å; M224-L228 PolarHBondContact O-N 2.72Å; M224-L228 HydrophobicContact SD-CB 3.85Å; L228-M230 VanDerWaalsContact C-N 3.31Å; L228-M230 PolarHBondContact O-N 3.41Å; L228-R231 WeakPolarHBondContact O-CG 3.41Å; L228-R231 PolarHBondContact O-N 3.37Å; L228-Y232 HydrophobicContact CB-CE2 4.32Å; L228-Y232 WeakPolarHBondContact O-CD2 2.99Å; L228-Y232 PolarHBondContact O-N 2.86Å |
| 229 | G | 98.1 | Very high | 97.8 | Very high | 21 Ų | 21 | 72.6 Ų | 72.6 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.2 | -32.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | M224 G227 R231 Y232 A233 | M224-G229 WeakPolarHBondContact O-CA 3.38Å; M224-G229 PolarHBondContact O-N 3.29Å; M224-G229 PolarHBondContact SD-N 2.94Å; M224-G229 VanDerWaalsContact SD-N 3.42Å; G227-G229 VanDerWaalsContact C-N 3.33Å; G227-G229 PolarHBondContact O-N 3.36Å; G229-R231 PolarHBondContact O-N 3.37Å; G229-Y232 PolarHBondContact O-N 2.59Å; G229-A233 PolarHBondContact O-N 3.02Å |
| 230 | M | 97.9 | Very high | 97.8 | Very high | 111 Ų | 111 | 69.4 Ų | 69.4 | 55% | 0.547 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 179.5 | -65.9 | -168.9 | 74.9 | 0 | 0 | 112.1 | S225 G227 L228 A233 F234 | S225-M230 WeakPolarHBondContact O-CG 3.46Å; G227-M230 PolarHBondContact O-N 3.4Å; L228-M230 VanDerWaalsContact C-N 3.31Å; L228-M230 PolarHBondContact O-N 3.41Å; M230-A233 WeakPolarHBondContact O-CB 3.39Å; M230-F234 WeakPolarHBondContact O-CD2 3.43Å |
| 231 | R | 97.4 | Very high | 97.8 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 39% | 0.389 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -72 | -36.5 | 176 | 67.2 | -179.1 | 78.1 | 179 | -0.2 | 111.8 | L228 G229 A233 F234 I235 N244 | L228-R231 WeakPolarHBondContact O-CG 3.41Å; L228-R231 PolarHBondContact O-N 3.37Å; G229-R231 PolarHBondContact O-N 3.37Å; R231-A233 PolarHBondContact O-N 3.39Å; R231-F234 PolarHBondContact O-N 3.28Å; R231-I235 HydrophobicContact CB-CG1 4.34Å; R231-I235 WeakPolarHBondContact O-CG1 3.21Å; R231-I235 PolarHBondContact O-N 3.19Å; R231-N244 PolarHBondContact NH1-ND2 2.91Å |
| 232 | Y | 97.9 | Very high | 97.8 | Very high | 96 Ų | 96 | 71.4 Ų | 71.4 | 38% | 0.376 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.1 | -14.9 | 179.4 | -67.9 | -20.7 | 0 | 0 | 0 | 114.1 | L228 G229 F234 I235 P237 | L228-Y232 HydrophobicContact CB-CE2 4.32Å; L228-Y232 WeakPolarHBondContact O-CD2 2.99Å; L228-Y232 PolarHBondContact O-N 2.86Å; G229-Y232 PolarHBondContact O-N 2.59Å; Y232-F234 PolarHBondContact O-N 2.87Å; Y232-I235 WeakPolarHBondContact CA-O 3.38Å; Y232-P237 HydrophobicContact CE1-CB 4.13Å |
| 233 | A | 96.5 | Very high | 97.8 | Very high | 27 Ų | 27 | 73.1 Ų | 73.1 | 22% | 0.223 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G229 M230 R231 L310 K314 | G229-A233 PolarHBondContact O-N 3.02Å; M230-A233 WeakPolarHBondContact O-CB 3.39Å; R231-A233 PolarHBondContact O-N 3.39Å; A233-L310 HydrophobicContact CB-CD1 4.24Å; A233-L310 HydrophobicContact CB-CD2 4Å; A233-K314 WeakPolarHBondContact O-CD 2.98Å; A233-K314 WeakPolarHBondContact O-CE 3.48Å; A233-K314 PolarHBondContact O-NZ 3.43Å |
| 234 | F | 96.1 | Very high | 97.8 | Very high | 109 Ų | 109 | 73.1 Ų | 73.1 | 48% | 0.478 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -46.1 | -174 | -59.6 | -75.8 | 0 | 0 | 0 | 113.5 | M230 R231 Y232 L310 L313 K314 | M230-F234 WeakPolarHBondContact O-CD2 3.43Å; R231-F234 PolarHBondContact O-N 3.28Å; Y232-F234 PolarHBondContact O-N 2.87Å; F234-L310 HydrophobicContact CE1-CD1 4.27Å; F234-L310 HydrophobicContact CZ-CD1 4.03Å; F234-L313 HydrophobicContact CE1-CD2 4.05Å; F234-L313 HydrophobicContact CE1-CG 4.41Å; F234-L313 HydrophobicContact CZ-CD2 3.82Å; F234-K314 HydrophobicContact CD1-CG 4.34Å; F234-K314 HydrophobicContact CE1-CG 4.19Å |
| 235 | I | 97 | Very high | 97.7 | Very high | 44 Ų | 44 | 70.8 Ų | 70.8 | 23% | 0.226 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -124.1 | 147.6 | -173.8 | 58.7 | 170 | 0 | 0 | 0 | 111.7 | R231 Y232 E239 T240 L243 | R231-I235 HydrophobicContact CB-CG1 4.34Å; R231-I235 WeakPolarHBondContact O-CG1 3.21Å; R231-I235 PolarHBondContact O-N 3.19Å; Y232-I235 WeakPolarHBondContact CA-O 3.38Å; I235-E239 HydrophobicContact CB-CB 4.41Å; I235-E239 HydrophobicContact CB-CG 4.19Å; I235-E239 WeakPolarHBondContact CB-OE2 3.45Å; I235-E239 HydrophobicContact CG2-CG 4.32Å; I235-E239 WeakPolarHBondContact CG2-OE2 3.43Å; I235-T240 WeakPolarHBondContact CD1-OG1 3.41Å; I235-L243 HydrophobicContact CD1-CD1 4Å |
| 236 | G | 97.4 | Very high | 97.6 | Very high | 34 Ų | 34 | 72.9 Ų | 72.9 | 35% | 0.351 | 39% | 0.387 | S | S | . | . | trans | -74.8 | 169.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | M238 E239 T240 | G236-M238 VanDerWaalsContact C-N 3.35Å; G236-M238 PolarHBondContact O-N 2.6Å; G236-E239 PolarHBondContact O-N 3.28Å; G236-T240 WeakPolarHBondContact O-CB 3.49Å; G236-T240 PolarHBondContact O-N 3.08Å; G236-T240 PolarHBondContact O-OG1 2.94Å | ||
| 237 | P | 97.8 | Very high | 97.5 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 178.1 | 24.4 | -33.6 | 0 | 0 | 0 | 113 | Y232 T240 M241 | Y232-P237 HydrophobicContact CE1-CB 4.13Å; P237-T240 WeakPolarHBondContact O-CB 3.47Å; P237-T240 PolarHBondContact O-N 3.49Å; P237-M241 WeakPolarHBondContact O-CG 3.44Å; P237-M241 PolarHBondContact O-N 2.95Å |
| 238 | M | 97.9 | Very high | 97.5 | Very high | 134 Ų | 134 | 71.6 Ų | 71.6 | 66% | 0.66 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.3 | -42.1 | 178.4 | -60.3 | -59.9 | 166.6 | 0 | 0 | 111.9 | G236 M241 H242 | G236-M238 VanDerWaalsContact C-N 3.35Å; G236-M238 PolarHBondContact O-N 2.6Å; M238-M241 PolarHBondContact O-N 3.29Å; M238-M241 HydrophobicContact SD-SD 4.29Å; M238-H242 PolarHBondContact O-N 3.37Å |
| 239 | E | 98.2 | Very high | 97.5 | Very high | 98 Ų | 98 | 71.1 Ų | 71.1 | 46% | 0.458 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 174.3 | -175.7 | 176.3 | -168.2 | 0 | 0 | 111.3 | I235 G236 M241 H242 L243 | I235-E239 HydrophobicContact CB-CB 4.41Å; I235-E239 HydrophobicContact CB-CG 4.19Å; I235-E239 WeakPolarHBondContact CB-OE2 3.45Å; I235-E239 HydrophobicContact CG2-CG 4.32Å; I235-E239 WeakPolarHBondContact CG2-OE2 3.43Å; G236-E239 PolarHBondContact O-N 3.28Å; E239-M241 VanDerWaalsContact C-N 3.31Å; E239-M241 PolarHBondContact O-N 3.19Å; E239-H242 WeakPolarHBondContact O-CA 3.34Å; E239-H242 WeakPolarHBondContact O-CB 3.43Å; E239-H242 PolarHBondContact O-N 3.46Å; E239-H242 VanDerWaalsContact O-N 3.07Å; E239-L243 HydrophobicContact CG-CD1 3.95Å; E239-L243 HydrophobicContact CG-CG 4.25Å; E239-L243 WeakPolarHBondContact O-CG 3.44Å; E239-L243 PolarHBondContact O-N 3.18Å |
| 240 | T | 98.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 77.1 Ų | 77.1 | 4% | 0.043 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 172.4 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | I235 G236 P237 N244 | I235-T240 WeakPolarHBondContact CD1-OG1 3.41Å; G236-T240 WeakPolarHBondContact O-CB 3.49Å; G236-T240 PolarHBondContact O-N 3.08Å; G236-T240 PolarHBondContact O-OG1 2.94Å; P237-T240 WeakPolarHBondContact O-CB 3.47Å; P237-T240 PolarHBondContact O-N 3.49Å; T240-N244 VanDerWaalsContact CG2-ND2 3.27Å; T240-N244 WeakPolarHBondContact CG2-ND2 3.39Å; T240-N244 WeakPolarHBondContact O-CB 3.23Å; T240-N244 PolarHBondContact O-N 3.07Å; T240-N244 VanDerWaalsContact O-N 3.09Å; T240-N244 PolarHBondContact O-ND2 2.88Å; T240-N244 VanDerWaalsContact O-ND2 3.13Å |
| 241 | M | 98.3 | Very high | 97.5 | Very high | 47 Ų | 47 | 71.9 Ų | 71.9 | 23% | 0.232 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 174 | -67.4 | 170 | 68.9 | 0 | 0 | 111.2 | P237 M238 E239 L243 N244 L249 Y252 M253 | P237-M241 WeakPolarHBondContact O-CG 3.44Å; P237-M241 PolarHBondContact O-N 2.95Å; M238-M241 PolarHBondContact O-N 3.29Å; M238-M241 HydrophobicContact SD-SD 4.29Å; E239-M241 VanDerWaalsContact C-N 3.31Å; E239-M241 PolarHBondContact O-N 3.19Å; M241-L243 PolarHBondContact O-N 3.47Å; M241-N244 PolarHBondContact O-N 3.44Å; M241-L249 HydrophobicContact CB-CD1 3.53Å; M241-L249 HydrophobicContact CE-CD1 3.7Å; M241-L249 HydrophobicContact CG-CD1 4.48Å; M241-L249 HydrophobicContact SD-CD1 4.26Å; M241-Y252 HydrophobicContact CB-CD1 3.81Å; M241-Y252 HydrophobicContact CB-CD2 4.32Å; M241-Y252 HydrophobicContact CB-CE1 4.04Å; M241-Y252 HydrophobicContact CB-CG 3.97Å; M241-Y252 HydrophobicContact CE-CD1 3.61Å; M241-Y252 HydrophobicContact CE-CE1 3.8Å; M241-Y252 HydrophobicContact CG-CD1 3.89Å; M241-Y252 HydrophobicContact CG-CE1 3.64Å; M241-Y252 HydrophobicContact CG-CG 4.48Å; M241-Y252 WeakPolarHBondContact O-CB 3.44Å; M241-Y252 WeakPolarHBondContact O-CD2 3.37Å; M241-Y252 HydrophobicContact SD-CE1 4.46Å; M241-M253 HydrophobicContact CE-CG 4.47Å |
| 242 | H | 98.3 | Very high | 97.5 | Very high | 99 Ų | 99 | 69 Ų | 69 | 46% | 0.458 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.6 | -169.1 | 82.1 | 0 | 0 | 0 | 112.3 | M238 E239 G248 L249 | M238-H242 PolarHBondContact O-N 3.37Å; E239-H242 WeakPolarHBondContact O-CA 3.34Å; E239-H242 WeakPolarHBondContact O-CB 3.43Å; E239-H242 PolarHBondContact O-N 3.46Å; E239-H242 VanDerWaalsContact O-N 3.07Å; H242-G248 VanDerWaalsContact O-CA 3.32Å; H242-G248 WeakPolarHBondContact O-CA 3.34Å; H242-L249 HydrophobicContact CB-CB 4.38Å; H242-L249 PolarHBondContact ND1-N 2.97Å |
| 243 | L | 97.9 | Very high | 97.5 | Very high | 107 Ų | 107 | 69.3 Ų | 69.3 | 56% | 0.56 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -79.8 | -21.2 | -176.9 | -62.8 | 177.2 | 0 | 0 | 0 | 113.9 | I235 E239 M241 A245 | I235-L243 HydrophobicContact CD1-CD1 4Å; E239-L243 HydrophobicContact CG-CD1 3.95Å; E239-L243 HydrophobicContact CG-CG 4.25Å; E239-L243 WeakPolarHBondContact O-CG 3.44Å; E239-L243 PolarHBondContact O-N 3.18Å; M241-L243 PolarHBondContact O-N 3.47Å; L243-A245 VanDerWaalsContact C-N 3.28Å; L243-A245 PolarHBondContact O-N 3.36Å |
| 244 | N | 97.6 | Very high | 97.6 | Very high | 74 Ų | 74 | 75.7 Ų | 75.7 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 9.6 | -178 | -73.4 | -19 | 0 | 0 | 0 | 114 | R231 T240 M241 Y252 | R231-N244 PolarHBondContact NH1-ND2 2.91Å; T240-N244 VanDerWaalsContact CG2-ND2 3.27Å; T240-N244 WeakPolarHBondContact CG2-ND2 3.39Å; T240-N244 WeakPolarHBondContact O-CB 3.23Å; T240-N244 PolarHBondContact O-N 3.07Å; T240-N244 VanDerWaalsContact O-N 3.09Å; T240-N244 PolarHBondContact O-ND2 2.88Å; T240-N244 VanDerWaalsContact O-ND2 3.13Å; M241-N244 PolarHBondContact O-N 3.44Å; N244-Y252 HydrophobicContact CB-CD2 4Å; N244-Y252 HydrophobicContact CB-CE2 3.78Å |
| 245 | A | 96.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 76.2 Ų | 76.2 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -132.5 | 135.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L243 E247 G248 D251 Y252 | L243-A245 VanDerWaalsContact C-N 3.28Å; L243-A245 PolarHBondContact O-N 3.36Å; A245-E247 PolarHBondContact O-N 3.42Å; A245-E247 VanDerWaalsContact O-N 3.14Å; A245-G248 WeakPolarHBondContact CB-O 3.32Å; A245-G248 PolarHBondContact O-N 2.9Å; A245-D251 HydrophobicContact CB-CB 4.17Å; A245-Y252 HydrophobicContact CB-CD2 4.11Å; A245-Y252 HydrophobicContact CB-CG 4.37Å; A245-Y252 VanDerWaalsContact CB-N 3.31Å |
| 246 | P | 95.7 | Very high | 97.7 | Very high | 107 Ų | 107 | 78.9 Ų | 78.9 | 70% | 0.695 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -34.6 | -177.4 | -30.3 | 35.1 | 0 | 0 | 0 | 115.5 | D251 | P246-D251 WeakPolarHBondContact CD-OD2 3.32Š|
| 247 | E | 96.9 | Very high | 97.7 | Very high | 137 Ų | 137 | 78.6 Ų | 78.6 | 64% | 0.64 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 24.1 | -179.1 | -46 | 174.3 | 150.3 | 0 | 0 | 112.2 | A245 D251 R254 | A245-E247 PolarHBondContact O-N 3.42Å; A245-E247 VanDerWaalsContact O-N 3.14Å; E247-D251 HydrophobicContact CB-CB 3.71Å; E247-D251 HydrophobicContact CG-CB 4.41Å; E247-D251 PolarHBondContact N-OD2 3.29Å; E247-R254 IonicContact OE2-CZ 3.54Å; E247-R254 IonicContact OE2-NH1 2.78Å; E247-R254 IonicContact OE2-NH2 2.72Å; E247-R254 PolarHBondContact OE2-NH2 3.21Å |
| 248 | G | 97.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 83.2 Ų | 83.2 | 6% | 0.062 | 40% | 0.402 | C | S | . | . | trans | 81.2 | -162 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H242 A245 E250 D251 Y252 | H242-G248 VanDerWaalsContact O-CA 3.32Å; H242-G248 WeakPolarHBondContact O-CA 3.34Å; A245-G248 WeakPolarHBondContact CB-O 3.32Å; A245-G248 PolarHBondContact O-N 2.9Å; G248-E250 VanDerWaalsContact C-N 3.33Å; G248-E250 PolarHBondContact O-N 2.89Å; G248-D251 PolarHBondContact O-N 3.08Å; G248-Y252 PolarHBondContact O-N 3.35Å | ||
| 249 | L | 97.2 | Very high | 97.7 | Very high | 59 Ų | 59 | 78 Ų | 78 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.7 | -36.9 | -169.1 | -178.5 | 61.2 | 0 | 0 | 0 | 113.6 | M241 H242 Y252 M253 | M241-L249 HydrophobicContact CB-CD1 3.53Å; M241-L249 HydrophobicContact CE-CD1 3.7Å; M241-L249 HydrophobicContact CG-CD1 4.48Å; M241-L249 HydrophobicContact SD-CD1 4.26Å; H242-L249 HydrophobicContact CB-CB 4.38Å; H242-L249 PolarHBondContact ND1-N 2.97Å; L249-Y252 WeakPolarHBondContact O-CB 3.34Å; L249-Y252 PolarHBondContact O-N 3.38Å; L249-M253 HydrophobicContact CG-CE 4.37Å; L249-M253 WeakPolarHBondContact O-CG 3.14Å; L249-M253 PolarHBondContact O-N 2.99Å |
| 250 | E | 97.9 | Very high | 97.7 | Very high | 146 Ų | 146 | 76.3 Ų | 76.3 | 68% | 0.682 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64 | -44 | 179 | -172.3 | 176.1 | 173.9 | 0 | 0 | 111.6 | G248 M253 R254 | G248-E250 VanDerWaalsContact C-N 3.33Å; G248-E250 PolarHBondContact O-N 2.89Å; E250-M253 PolarHBondContact O-N 3.2Å; E250-R254 PolarHBondContact O-N 3.4Å |
| 251 | D | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.011 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 175 | 179.3 | 41.1 | 0 | 0 | 0 | 112 | A245 P246 E247 G248 M253 R254 R255 | A245-D251 HydrophobicContact CB-CB 4.17Å; P246-D251 WeakPolarHBondContact CD-OD2 3.32Å; E247-D251 HydrophobicContact CB-CB 3.71Å; E247-D251 HydrophobicContact CG-CB 4.41Å; E247-D251 PolarHBondContact N-OD2 3.29Å; G248-D251 PolarHBondContact O-N 3.08Å; D251-M253 VanDerWaalsContact C-N 3.33Å; D251-M253 PolarHBondContact O-N 3.4Å; D251-R254 PolarHBondContact O-N 3.2Å; D251-R254 IonicContact OD1-CZ 3.9Å; D251-R254 IonicContact OD1-NE 3.05Å; D251-R254 IonicContact OD1-NH2 3.8Å; D251-R254 PolarHBondContact OD1-NH2 2.89Å; D251-R255 WeakPolarHBondContact O-CB 3.48Å; D251-R255 VanDerWaalsContact O-CG 3.3Å; D251-R255 WeakPolarHBondContact O-CG 3.36Å; D251-R255 PolarHBondContact O-N 3.49Å; D251-R255 IonicContact OD1-CZ 2.6Å; D251-R255 IonicContact OD1-NE 3.29Å; D251-R255 PolarHBondContact OD1-NE 3.4Å; D251-R255 IonicContact OD1-NH2 2.74Å; D251-R255 PolarHBondContact OD1-NH2 3.09Å; D251-R255 IonicContact OD2-CZ 2.71Å; D251-R255 IonicContact OD2-NE 3.51Å; D251-R255 PolarHBondContact OD2-NE 3.09Å; D251-R255 IonicContact OD2-NH2 3.92Å; D251-R255 PolarHBondContact OD2-NH2 3.25Å |
| 252 | Y | 98.4 | Very high | 97.7 | Very high | 42 Ų | 42 | 83.2 Ų | 83.2 | 17% | 0.165 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 172.4 | -168.9 | -84.2 | 0 | 0 | 0 | 111.5 | M241 N244 A245 G248 L249 R255 Y256 I260 | M241-Y252 HydrophobicContact CB-CD1 3.81Å; M241-Y252 HydrophobicContact CB-CD2 4.32Å; M241-Y252 HydrophobicContact CB-CE1 4.04Å; M241-Y252 HydrophobicContact CB-CG 3.97Å; M241-Y252 HydrophobicContact CE-CD1 3.61Å; M241-Y252 HydrophobicContact CE-CE1 3.8Å; M241-Y252 HydrophobicContact CG-CD1 3.89Å; M241-Y252 HydrophobicContact CG-CE1 3.64Å; M241-Y252 HydrophobicContact CG-CG 4.48Å; M241-Y252 WeakPolarHBondContact O-CB 3.44Å; M241-Y252 WeakPolarHBondContact O-CD2 3.37Å; M241-Y252 HydrophobicContact SD-CE1 4.46Å; N244-Y252 HydrophobicContact CB-CD2 4Å; N244-Y252 HydrophobicContact CB-CE2 3.78Å; A245-Y252 HydrophobicContact CB-CD2 4.11Å; A245-Y252 HydrophobicContact CB-CG 4.37Å; A245-Y252 VanDerWaalsContact CB-N 3.31Å; G248-Y252 PolarHBondContact O-N 3.35Å; L249-Y252 WeakPolarHBondContact O-CB 3.34Å; L249-Y252 PolarHBondContact O-N 3.38Å; Y252-R255 PolarHBondContact O-N 3Å; Y252-Y256 HydrophobicContact CD1-CD2 4.07Å; Y252-Y256 AromaticContact CD2-CD2 3.52Å; Y252-Y256 HydrophobicContact CD2-CD2 3.52Å; Y252-Y256 AromaticContact CD2-CE2 3.77Å; Y252-Y256 HydrophobicContact CD2-CE2 3.77Å; Y252-Y256 HydrophobicContact CE1-CD2 4.06Å; Y252-Y256 AromaticContact CE2-CD2 3.49Å; Y252-Y256 HydrophobicContact CE2-CD2 3.49Å; Y252-Y256 VanDerWaalsContact CE2-CD2 3.49Å; Y252-Y256 AromaticContact CE2-CE2 3.82Å; Y252-Y256 HydrophobicContact CE2-CE2 3.82Å; Y252-Y256 HydrophobicContact CE2-CG 4.44Å; Y252-Y256 AromaticContact CG-CD2 3.81Å; Y252-Y256 HydrophobicContact CG-CD2 3.81Å; Y252-Y256 HydrophobicContact CG-CE2 4.41Å; Y252-Y256 AromaticContact CZ-CD2 3.77Å; Y252-Y256 WeakPolarHBondContact O-CD2 3.35Å; Y252-Y256 PolarHBondContact O-N 2.81Å; Y252-I260 HydrophobicContact CE1-CD1 3.83Å |
| 253 | M | 97.8 | Very high | 97.6 | Very high | 103 Ų | 103 | 83 Ų | 83 | 51% | 0.507 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 178 | -70.6 | -172.5 | -63.4 | 0 | 0 | 111.8 | M241 L249 E250 D251 R255 G257 | M241-M253 HydrophobicContact CE-CG 4.47Å; L249-M253 HydrophobicContact CG-CE 4.37Å; L249-M253 WeakPolarHBondContact O-CG 3.14Å; L249-M253 PolarHBondContact O-N 2.99Å; E250-M253 PolarHBondContact O-N 3.2Å; D251-M253 VanDerWaalsContact C-N 3.33Å; D251-M253 PolarHBondContact O-N 3.4Å; M253-R255 PolarHBondContact O-N 3.38Å; M253-G257 WeakPolarHBondContact O-CA 3.47Å; M253-G257 PolarHBondContact O-N 3.3Å |
| 254 | R | 98.1 | Very high | 97.6 | Very high | 160 Ų | 160 | 82.8 Ų | 82.8 | 60% | 0.604 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.4 | -40.8 | 176.8 | -177.8 | 177 | 59.9 | -152 | 0.2 | 112.5 | E247 E250 D251 | E247-R254 IonicContact OE2-CZ 3.54Å; E247-R254 IonicContact OE2-NH1 2.78Å; E247-R254 IonicContact OE2-NH2 2.72Å; E247-R254 PolarHBondContact OE2-NH2 3.21Å; E250-R254 PolarHBondContact O-N 3.4Å; D251-R254 PolarHBondContact O-N 3.2Å; D251-R254 IonicContact OD1-CZ 3.9Å; D251-R254 IonicContact OD1-NE 3.05Å; D251-R254 IonicContact OD1-NH2 3.8Å; D251-R254 PolarHBondContact OD1-NH2 2.89Å |
| 255 | R | 97.6 | Very high | 97.6 | Very high | 121 Ų | 121 | 88.4 Ų | 88.4 | 46% | 0.457 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -77.5 | -43.6 | -178 | -70.6 | 178.8 | -169.5 | -157 | 7 | 113.6 | D251 Y252 M253 | D251-R255 WeakPolarHBondContact O-CB 3.48Å; D251-R255 VanDerWaalsContact O-CG 3.3Å; D251-R255 WeakPolarHBondContact O-CG 3.36Å; D251-R255 PolarHBondContact O-N 3.49Å; D251-R255 IonicContact OD1-CZ 2.6Å; D251-R255 IonicContact OD1-NE 3.29Å; D251-R255 PolarHBondContact OD1-NE 3.4Å; D251-R255 IonicContact OD1-NH2 2.74Å; D251-R255 PolarHBondContact OD1-NH2 3.09Å; D251-R255 IonicContact OD2-CZ 2.71Å; D251-R255 IonicContact OD2-NE 3.51Å; D251-R255 PolarHBondContact OD2-NE 3.09Å; D251-R255 IonicContact OD2-NH2 3.92Å; D251-R255 PolarHBondContact OD2-NH2 3.25Å; Y252-R255 PolarHBondContact O-N 3Å; M253-R255 PolarHBondContact O-N 3.38Å |
| 256 | Y | 98 | Very high | 97.6 | Very high | 100 Ų | 100 | 92.4 Ų | 92.4 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -116.6 | -13 | -165.6 | -52.8 | -62.7 | 0 | 0 | 0 | 113.5 | Y252 E258 G259 I260 | Y252-Y256 HydrophobicContact CD1-CD2 4.07Å; Y252-Y256 AromaticContact CD2-CD2 3.52Å; Y252-Y256 HydrophobicContact CD2-CD2 3.52Å; Y252-Y256 AromaticContact CD2-CE2 3.77Å; Y252-Y256 HydrophobicContact CD2-CE2 3.77Å; Y252-Y256 HydrophobicContact CE1-CD2 4.06Å; Y252-Y256 AromaticContact CE2-CD2 3.49Å; Y252-Y256 HydrophobicContact CE2-CD2 3.49Å; Y252-Y256 VanDerWaalsContact CE2-CD2 3.49Å; Y252-Y256 AromaticContact CE2-CE2 3.82Å; Y252-Y256 HydrophobicContact CE2-CE2 3.82Å; Y252-Y256 HydrophobicContact CE2-CG 4.44Å; Y252-Y256 AromaticContact CG-CD2 3.81Å; Y252-Y256 HydrophobicContact CG-CD2 3.81Å; Y252-Y256 HydrophobicContact CG-CE2 4.41Å; Y252-Y256 AromaticContact CZ-CD2 3.77Å; Y252-Y256 WeakPolarHBondContact O-CD2 3.35Å; Y252-Y256 PolarHBondContact O-N 2.81Å; Y256-E258 PolarHBondContact O-N 2.8Å; Y256-G259 PolarHBondContact O-N 2.81Å; Y256-G259 VanDerWaalsContact O-N 3.1Å; Y256-I260 WeakPolarHBondContact O-CG1 3.45Å; Y256-I260 PolarHBondContact O-N 2.97Å |
| 257 | G | 97.4 | Very high | 97.7 | Very high | 28 Ų | 28 | 91.3 Ų | 91.3 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -57.7 | -44 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M253 I260 A261 | M253-G257 WeakPolarHBondContact O-CA 3.47Å; M253-G257 PolarHBondContact O-N 3.3Å; G257-I260 PolarHBondContact O-N 3.38Å; G257-A261 WeakPolarHBondContact O-CB 3.33Å; G257-A261 PolarHBondContact O-N 3.2Å |
| 258 | E | 97.8 | Very high | 97.6 | Very high | 166 Ų | 166 | 86.6 Ų | 86.6 | 78% | 0.776 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.3 | -42 | 176.6 | -170.2 | -175.8 | 171.5 | 0 | 0 | 111.7 | Y256 A261 R262 | Y256-E258 PolarHBondContact O-N 2.8Å; E258-A261 PolarHBondContact O-N 3.18Å; E258-R262 WeakPolarHBondContact O-CB 3.5Å; E258-R262 PolarHBondContact O-N 3.18Å |
| 259 | G | 98.1 | Very high | 97.5 | Very high | 23 Ų | 23 | 91.7 Ų | 91.7 | 24% | 0.237 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y256 R262 L263 | Y256-G259 PolarHBondContact O-N 2.81Å; Y256-G259 VanDerWaalsContact O-N 3.1Å; G259-R262 PolarHBondContact O-N 3.12Å; G259-L263 WeakPolarHBondContact O-CG 3.48Å; G259-L263 PolarHBondContact O-N 3.17Å |
| 260 | I | 97.4 | Very high | 97.4 | Very high | 64 Ų | 64 | 95 Ų | 95 | 33% | 0.328 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 175.7 | -67.9 | 166.4 | 0 | 0 | 0 | 110 | Y252 Y256 G257 R262 L263 L264 | Y252-I260 HydrophobicContact CE1-CD1 3.83Å; Y256-I260 WeakPolarHBondContact O-CG1 3.45Å; Y256-I260 PolarHBondContact O-N 2.97Å; G257-I260 PolarHBondContact O-N 3.38Å; I260-R262 VanDerWaalsContact C-N 3.31Å; I260-R262 PolarHBondContact O-N 3Å; I260-L263 PolarHBondContact O-N 3.39Å; I260-L264 HydrophobicContact CG2-CD1 3.8Å; I260-L264 HydrophobicContact CG2-CG 4.25Å; I260-L264 WeakPolarHBondContact O-CG 3.46Å; I260-L264 PolarHBondContact O-N 2.94Å |
| 261 | A | 97.9 | Very high | 97.3 | Very high | 31 Ų | 31 | 88.8 Ų | 88.8 | 26% | 0.256 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63 | -37.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G257 E258 R265 | G257-A261 WeakPolarHBondContact O-CB 3.33Å; G257-A261 PolarHBondContact O-N 3.2Å; E258-A261 PolarHBondContact O-N 3.18Å; A261-R265 WeakPolarHBondContact O-CB 3.35Å; A261-R265 WeakPolarHBondContact O-CG 3.22Å; A261-R265 PolarHBondContact O-N 3.27Å; A261-R265 VanDerWaalsContact O-N 3.11Å; A261-R265 PolarHBondContact O-NE 3.27Å |
| 262 | R | 98.3 | Very high | 96.9 | Very high | 167 Ų | 167 | 93.4 Ų | 93.4 | 63% | 0.63 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.5 | -46.9 | 172.8 | -176.6 | -169.9 | 67.5 | -146.8 | -1.7 | 111.6 | E258 G259 I260 R265 S266 | E258-R262 WeakPolarHBondContact O-CB 3.5Å; E258-R262 PolarHBondContact O-N 3.18Å; G259-R262 PolarHBondContact O-N 3.12Å; I260-R262 VanDerWaalsContact C-N 3.31Å; I260-R262 PolarHBondContact O-N 3Å; R262-R265 PolarHBondContact O-N 3Å; R262-S266 PolarHBondContact O-N 3.48Å |
| 263 | L | 96.8 | Very high | 96.6 | Very high | 96 Ų | 96 | 95.3 Ų | 95.3 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 178.4 | -70.6 | 170.4 | 0 | 0 | 0 | 111.8 | G259 I260 R265 S266 F267 | G259-L263 WeakPolarHBondContact O-CG 3.48Å; G259-L263 PolarHBondContact O-N 3.17Å; I260-L263 PolarHBondContact O-N 3.39Å; L263-R265 PolarHBondContact O-N 2.63Å; L263-S266 PolarHBondContact O-N 3.33Å; L263-S266 PolarHBondContact O-OG 3.46Å; L263-F267 WeakPolarHBondContact O-CD1 3.21Å |
| 264 | L | 97.6 | Very high | 96.3 | Very high | 102 Ų | 102 | 97.7 Ų | 97.7 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 177.9 | -69.5 | 172.4 | 0 | 0 | 0 | 112.1 | I260 S266 F267 | I260-L264 HydrophobicContact CG2-CD1 3.8Å; I260-L264 HydrophobicContact CG2-CG 4.25Å; I260-L264 WeakPolarHBondContact O-CG 3.46Å; I260-L264 PolarHBondContact O-N 2.94Å; L264-S266 VanDerWaalsContact C-N 3.26Å; L264-S266 PolarHBondContact O-N 2.99Å; L264-F267 HydrophobicContact CD2-CD2 4.48Å; L264-F267 HydrophobicContact CD2-CE2 4.05Å; L264-F267 HydrophobicContact CD2-CZ 4.12Å; L264-F267 WeakPolarHBondContact O-CB 3.49Å; L264-F267 PolarHBondContact O-N 3.08Å |
| 265 | R | 97.7 | Very high | 96 | Very high | 191 Ų | 191 | 92.3 Ų | 92.3 | 72% | 0.721 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.7 | -19.8 | 175.4 | -80.7 | -175.1 | -81.2 | -105.2 | 4.4 | 113.9 | A261 R262 L263 | A261-R265 WeakPolarHBondContact O-CB 3.35Å; A261-R265 WeakPolarHBondContact O-CG 3.22Å; A261-R265 PolarHBondContact O-N 3.27Å; A261-R265 VanDerWaalsContact O-N 3.11Å; A261-R265 PolarHBondContact O-NE 3.27Å; R262-R265 PolarHBondContact O-N 3Å; L263-R265 PolarHBondContact O-N 2.63Å |
| 266 | S | 97.1 | Very high | 95.6 | Very high | 89 Ų | 89 | 91.9 Ų | 91.9 | 62% | 0.622 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -1.4 | 175.5 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | R262 L263 L264 G268 | R262-S266 PolarHBondContact O-N 3.48Å; L263-S266 PolarHBondContact O-N 3.33Å; L263-S266 PolarHBondContact O-OG 3.46Å; L264-S266 VanDerWaalsContact C-N 3.26Å; L264-S266 PolarHBondContact O-N 2.99Å; S266-G268 PolarHBondContact O-N 3.11Å |
| 267 | F | 97.9 | Very high | 95.1 | Very high | 84 Ų | 84 | 88.7 Ų | 88.7 | 37% | 0.368 | 48% | 0.479 | S | S | . | . | trans | -64.2 | 135.8 | 178.3 | -79.3 | 20.8 | 0 | 0 | 0 | 110.3 | E205 R208 L263 L264 | E205-F267 HydrophobicContact CB-CE2 4.02Å; E205-F267 HydrophobicContact CB-CZ 4.26Å; E205-F267 VanDerWaalsContact CD-CZ 3.44Å; E205-F267 HydrophobicContact CG-CE1 4.26Å; E205-F267 HydrophobicContact CG-CE2 3.92Å; E205-F267 HydrophobicContact CG-CZ 3.67Å; E205-F267 WeakPolarHBondContact OE2-CD2 3.35Å; E205-F267 WeakPolarHBondContact OE2-CE2 3.44Å; R208-F267 VanDerWaalsContact NH2-CD2 3.31Å; L263-F267 WeakPolarHBondContact O-CD1 3.21Å; L264-F267 HydrophobicContact CD2-CD2 4.48Å; L264-F267 HydrophobicContact CD2-CE2 4.05Å; L264-F267 HydrophobicContact CD2-CZ 4.12Å; L264-F267 WeakPolarHBondContact O-CB 3.49Å; L264-F267 PolarHBondContact O-N 3.08Å | ||
| 268 | G | 95.2 | Very high | 94.9 | Very high | 38 Ų | 38 | 87.9 Ų | 87.9 | 39% | 0.392 | 47% | 0.47 | S | S | . | . | trans | -67.6 | 179.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S266 | S266-G268 PolarHBondContact O-N 3.11Š| ||
| 269 | P | 95.4 | Very high | 94.7 | Very high | 114 Ų | 114 | 86.1 Ų | 86.1 | 74% | 0.74 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 172.4 | 177.6 | 28.7 | -35.7 | 0 | 0 | 0 | 112.4 | R208 P271 | R208-P269 PolarHBondContact NH1-O 3.33Å; R208-P269 VanDerWaalsContact NH1-O 3.16Å; P269-P271 WeakPolarHBondContact O-CD 3.43Å |
| 270 | V | 95.7 | Very high | 94.4 | Very high | 128 Ų | 128 | 91.2 Ų | 91.2 | 78% | 0.776 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 126.6 | 171.8 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 271 | P | 93.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 89.2 Ų | 89.2 | 10% | 0.097 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 145.2 | 176.9 | -21.2 | 33.5 | 0 | 0 | 0 | 111.8 | A204 W207 R208 P269 F273 | A204-P271 HydrophobicContact CB-CG 4.42Å; W207-P271 HydrophobicContact CB-CG 4.24Å; W207-P271 VanDerWaalsContact CD1-CB 3.44Å; W207-P271 HydrophobicContact CG-CB 4.03Å; W207-P271 HydrophobicContact CG-CG 4.25Å; R208-P271 HydrophobicContact CG-CG 4.11Å; P269-P271 WeakPolarHBondContact O-CD 3.43Å; P271-F273 HydrophobicContact CB-CD1 4.4Å; P271-F273 HydrophobicContact CB-CE1 4.1Å; P271-F273 HydrophobicContact CB-CE2 4.24Å; P271-F273 HydrophobicContact CB-CZ 4.02Å; P271-F273 HydrophobicContact CG-CZ 4.31Å; P271-F273 WeakPolarHBondContact O-CD2 3.16Å; P271-F273 WeakPolarHBondContact O-CE2 3.47Å |
| 272 | D | 89.8 | Confident | 94 | Very high | 100 Ų | 100 | 91.8 Ų | 91.8 | 54% | 0.535 | 48% | 0.475 | S | S | . | . | trans | -83.7 | -19.4 | 175.6 | 64.2 | 15.7 | 0 | 0 | 0 | 112.7 | F274 | D272-F274 HydrophobicContact CB-CD2 4.28Å; D272-F274 WeakPolarHBondContact O-CD2 3.42Å; D272-F274 WeakPolarHBondContact O-CE2 3.22Å; D272-F274 PolarHBondContact O-N 3.34Å; D272-F274 PolarHBondContact OD1-N 3.29Å | ||
| 273 | F | 92.2 | Very high | 93.9 | Very high | 82 Ų | 82 | 90.2 Ų | 90.2 | 36% | 0.36 | 47% | 0.473 | S | S | . | . | trans | 61.5 | 19.9 | -176.5 | -51.8 | -78.4 | 0 | 0 | 0 | 114.7 | I203 W207 P271 A278 | I203-F273 HydrophobicContact CG2-CE1 3.81Å; I203-F273 HydrophobicContact CG2-CZ 4.13Å; W207-F273 HydrophobicContact CB-CE1 4.2Å; W207-F273 AromaticContact CD2-CD1 3.68Å; W207-F273 HydrophobicContact CD2-CD1 3.68Å; W207-F273 AromaticContact CD2-CE1 3.95Å; W207-F273 HydrophobicContact CD2-CE1 3.95Å; W207-F273 AromaticContact CE2-CD1 3.96Å; W207-F273 AromaticContact CE3-CD1 3.78Å; W207-F273 HydrophobicContact CE3-CD1 3.78Å; W207-F273 HydrophobicContact CE3-CE1 4.11Å; W207-F273 HydrophobicContact CG-CD1 4.14Å; W207-F273 AromaticContact CG-CE1 3.99Å; W207-F273 HydrophobicContact CG-CE1 3.99Å; W207-F273 HydrophobicContact CH2-CD1 4.31Å; W207-F273 HydrophobicContact CZ2-CB 4.5Å; W207-F273 HydrophobicContact CZ2-CD1 4.27Å; W207-F273 HydrophobicContact CZ3-CD1 4.1Å; P271-F273 HydrophobicContact CB-CD1 4.4Å; P271-F273 HydrophobicContact CB-CE1 4.1Å; P271-F273 HydrophobicContact CB-CE2 4.24Å; P271-F273 HydrophobicContact CB-CZ 4.02Å; P271-F273 HydrophobicContact CG-CZ 4.31Å; P271-F273 WeakPolarHBondContact O-CD2 3.16Å; P271-F273 WeakPolarHBondContact O-CE2 3.47Å; F273-A278 WeakPolarHBondContact O-CB 3.18Å | ||
| 274 | F | 92.8 | Very high | 93.8 | Very high | 152 Ų | 152 | 88.9 Ų | 88.9 | 67% | 0.667 | 46% | 0.464 | S | S | * | . | trans | -125.6 | -177.1 | -177.2 | -59.7 | -65.4 | 0 | 0 | 0 | 112.2 | D272 A278 | D272-F274 HydrophobicContact CB-CD2 4.28Å; D272-F274 WeakPolarHBondContact O-CD2 3.42Å; D272-F274 WeakPolarHBondContact O-CE2 3.22Å; D272-F274 PolarHBondContact O-N 3.34Å; D272-F274 PolarHBondContact OD1-N 3.29Å; F274-A278 WeakPolarHBondContact O-CB 3.42Å | ||
| 275 | G | 91.7 | Very high | 93.8 | Very high | 48 Ų | 48 | 87 Ų | 87 | 50% | 0.495 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | 69.1 | -156.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | A278 K279 | G275-A278 PolarHBondContact O-N 2.76Å; G275-K279 PolarHBondContact O-N 2.92Å |
| 276 | E | 89.6 | Confident | 93.7 | Very high | 112 Ų | 112 | 79.9 Ų | 79.9 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.3 | -39.7 | -174.1 | -159.8 | 57.8 | -152.3 | 0 | 0 | 114.1 | A278 K279 R280 | E276-A278 VanDerWaalsContact C-N 3.29Å; E276-A278 PolarHBondContact O-N 3.34Å; E276-K279 PolarHBondContact O-N 2.79Å; E276-K279 WeakPolarHBondContact OE2-CD 3.44Å; E276-K279 IonicContact OE2-NZ 3.42Å; E276-K279 PolarHBondContact OE2-NZ 3.4Å; E276-R280 PolarHBondContact O-N 3.03Å; E276-R280 VanDerWaalsContact O-N 3.15Å |
| 277 | P | 87.4 | Confident | 93.7 | Very high | 33 Ų | 33 | 82 Ų | 82 | 21% | 0.214 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -55.6 | -44.1 | 173.7 | -27 | 36.7 | 0 | 0 | 0 | 112.7 | Q211 K279 R280 V281 | Q211-P277 HydrophobicContact CG-CB 3.89Å; Q211-P277 HydrophobicContact CG-CG 4.29Å; P277-K279 PolarHBondContact O-N 3.31Å; P277-R280 PolarHBondContact O-N 3.41Å; P277-V281 WeakPolarHBondContact O-CG2 3.5Å; P277-V281 PolarHBondContact O-N 2.71Å; P277-V281 VanDerWaalsContact O-N 3.14Å |
| 278 | A | 92.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 81.9 Ų | 81.9 | 9% | 0.091 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W207 F273 F274 G275 E276 R280 V281 V282 | W207-A278 HydrophobicContact CH2-CB 3.71Å; W207-A278 HydrophobicContact CZ2-CB 3.68Å; F273-A278 WeakPolarHBondContact O-CB 3.18Å; F274-A278 WeakPolarHBondContact O-CB 3.42Å; G275-A278 PolarHBondContact O-N 2.76Å; E276-A278 VanDerWaalsContact C-N 3.29Å; E276-A278 PolarHBondContact O-N 3.34Å; A278-R280 VanDerWaalsContact C-N 3.29Å; A278-R280 PolarHBondContact O-N 2.86Å; A278-V281 PolarHBondContact O-N 3.45Å; A278-V282 VanDerWaalsContact O-CG2 3.3Å; A278-V282 WeakPolarHBondContact O-CG2 3.45Å; A278-V282 PolarHBondContact O-N 3.48Å |
| 279 | K | 93.7 | Very high | 93.6 | Very high | 129 Ų | 129 | 82.2 Ų | 82.2 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.7 | -37.1 | 176.7 | -67.8 | 178 | -161.5 | 159 | 0 | 112.5 | G275 E276 P277 K283 | G275-K279 PolarHBondContact O-N 2.92Å; E276-K279 PolarHBondContact O-N 2.79Å; E276-K279 WeakPolarHBondContact OE2-CD 3.44Å; E276-K279 IonicContact OE2-NZ 3.42Å; E276-K279 PolarHBondContact OE2-NZ 3.4Å; P277-K279 PolarHBondContact O-N 3.31Å; K279-K283 WeakPolarHBondContact O-CB 3.25Å; K279-K283 PolarHBondContact O-N 3.46Å |
| 280 | R | 91 | Very high | 93.7 | Very high | 129 Ų | 129 | 79 Ų | 79 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.8 | -47.7 | 176 | -66.9 | -170.2 | -59 | -165.2 | 4.9 | 111.4 | E276 P277 A278 V282 K283 E284 | E276-R280 PolarHBondContact O-N 3.03Å; E276-R280 VanDerWaalsContact O-N 3.15Å; P277-R280 PolarHBondContact O-N 3.41Å; A278-R280 VanDerWaalsContact C-N 3.29Å; A278-R280 PolarHBondContact O-N 2.86Å; R280-V282 VanDerWaalsContact C-N 3.33Å; R280-V282 PolarHBondContact O-N 3.28Å; R280-K283 WeakPolarHBondContact O-CB 3.38Å; R280-K283 PolarHBondContact O-N 3.34Å; R280-K283 VanDerWaalsContact O-N 3.17Å; R280-E284 PolarHBondContact O-N 2.85Å |
| 281 | V | 93.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 77 Ų | 77 | 14% | 0.139 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 176.1 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | W207 V210 V217 P277 A278 K283 E284 M285 | W207-V281 HydrophobicContact CE3-CG1 4.3Å; W207-V281 HydrophobicContact CH2-CB 4.07Å; W207-V281 HydrophobicContact CH2-CG1 4.23Å; W207-V281 HydrophobicContact CH2-CG2 4.17Å; W207-V281 HydrophobicContact CZ2-CG2 4.41Å; W207-V281 HydrophobicContact CZ3-CB 4.07Å; W207-V281 HydrophobicContact CZ3-CG1 3.72Å; W207-V281 HydrophobicContact CZ3-CG2 4.21Å; V210-V281 HydrophobicContact CG1-CG2 3.77Å; V217-V281 HydrophobicContact CG2-CB 4.33Å; V217-V281 HydrophobicContact CG2-CG1 3.91Å; V217-V281 HydrophobicContact CG2-CG2 4.45Å; P277-V281 WeakPolarHBondContact O-CG2 3.5Å; P277-V281 PolarHBondContact O-N 2.71Å; P277-V281 VanDerWaalsContact O-N 3.14Å; A278-V281 PolarHBondContact O-N 3.45Å; V281-K283 VanDerWaalsContact C-N 3.34Å; V281-K283 PolarHBondContact O-N 3.14Å; V281-E284 PolarHBondContact O-N 3.44Å; V281-M285 WeakPolarHBondContact O-CB 3.36Å; V281-M285 PolarHBondContact O-N 3.41Å |
| 282 | V | 94.6 | Very high | 93.8 | Very high | 85 Ų | 85 | 79.5 Ų | 79.5 | 52% | 0.515 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 176.7 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | A278 R280 M285 C286 | A278-V282 VanDerWaalsContact O-CG2 3.3Å; A278-V282 WeakPolarHBondContact O-CG2 3.45Å; A278-V282 PolarHBondContact O-N 3.48Å; R280-V282 VanDerWaalsContact C-N 3.33Å; R280-V282 PolarHBondContact O-N 3.28Å; V282-M285 PolarHBondContact O-N 3.45Å; V282-C286 WeakPolarHBondContact O-CB 3.38Å; V282-C286 PolarHBondContact O-N 3.38Å; V282-C286 PolarHBondContact O-SG 3.1Å |
| 283 | K | 95.7 | Very high | 94 | Very high | 134 Ų | 134 | 81.2 Ų | 81.2 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.3 | -50.7 | 178.6 | -175.2 | -173.1 | 174 | -162.7 | 0 | 111.4 | K279 R280 V281 M285 C286 E287 | K279-K283 WeakPolarHBondContact O-CB 3.25Å; K279-K283 PolarHBondContact O-N 3.46Å; R280-K283 WeakPolarHBondContact O-CB 3.38Å; R280-K283 PolarHBondContact O-N 3.34Å; R280-K283 VanDerWaalsContact O-N 3.17Å; V281-K283 VanDerWaalsContact C-N 3.34Å; V281-K283 PolarHBondContact O-N 3.14Å; K283-M285 VanDerWaalsContact C-N 3.32Å; K283-M285 PolarHBondContact O-N 3.41Å; K283-C286 PolarHBondContact O-N 3.17Å; K283-E287 WeakPolarHBondContact CE-OE1 3.48Å; K283-E287 IonicContact NZ-OE1 2.95Å; K283-E287 WeakPolarHBondContact O-CG 3.3Å; K283-E287 PolarHBondContact O-N 3.08Å |
| 284 | E | 95.7 | Very high | 94.2 | Very high | 68 Ų | 68 | 84.6 Ų | 84.6 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 177.9 | -74.6 | -178.2 | -138.5 | 0 | 0 | 111.7 | V217 R280 V281 C286 E287 L288 | V217-E284 HydrophobicContact CB-CB 3.87Å; V217-E284 WeakPolarHBondContact CB-OE2 3.3Å; V217-E284 HydrophobicContact CG2-CB 3.75Å; V217-E284 HydrophobicContact CG2-CG 4.43Å; V217-E284 WeakPolarHBondContact CG2-OE2 3.27Å; V217-E284 PolarHBondContact N-OE2 2.96Å; R280-E284 PolarHBondContact O-N 2.85Å; V281-E284 PolarHBondContact O-N 3.44Å; E284-C286 PolarHBondContact O-N 3.06Å; E284-E287 PolarHBondContact O-N 3.46Å; E284-L288 PolarHBondContact O-N 3.28Å |
| 285 | M | 95.9 | Very high | 94.4 | Very high | 63 Ų | 63 | 81.5 Ų | 81.5 | 31% | 0.31 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 176.4 | -173.4 | 57.7 | 74.7 | 0 | 0 | 111.9 | V217 V281 V282 K283 E287 L288 I289 | V217-M285 HydrophobicContact CG1-CB 4.31Å; V217-M285 HydrophobicContact CG1-CE 3.52Å; V217-M285 HydrophobicContact CG1-SD 4.45Å; V281-M285 WeakPolarHBondContact O-CB 3.36Å; V281-M285 PolarHBondContact O-N 3.41Å; V282-M285 PolarHBondContact O-N 3.45Å; K283-M285 VanDerWaalsContact C-N 3.32Å; K283-M285 PolarHBondContact O-N 3.41Å; M285-E287 VanDerWaalsContact C-N 3.3Å; M285-E287 PolarHBondContact O-N 3.16Å; M285-L288 WeakPolarHBondContact O-CB 3.33Å; M285-L288 PolarHBondContact O-N 3.02Å; M285-L288 VanDerWaalsContact O-N 3.11Å; M285-I289 PolarHBondContact O-N 3.08Å; M285-I289 HydrophobicContact SD-CD1 4.32Å |
| 286 | C | 96.8 | Very high | 94.6 | Very high | 41 Ų | 41 | 82 Ų | 82 | 28% | 0.277 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.9 | -26.4 | 177.9 | -74.8 | 0 | 0 | 0 | 0 | 113.5 | V282 K283 E284 L288 I289 P290 | V282-C286 WeakPolarHBondContact O-CB 3.38Å; V282-C286 PolarHBondContact O-N 3.38Å; V282-C286 PolarHBondContact O-SG 3.1Å; K283-C286 PolarHBondContact O-N 3.17Å; E284-C286 PolarHBondContact O-N 3.06Å; C286-L288 VanDerWaalsContact C-N 3.31Å; C286-I289 WeakPolarHBondContact CA-O 3.48Å; C286-I289 CarbonylContact O-C 3.42Å; C286-P290 WeakPolarHBondContact O-CA 3.49Å |
| 287 | E | 96.4 | Very high | 94.8 | Very high | 132 Ų | 132 | 78.3 Ų | 78.3 | 62% | 0.617 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68.9 | -30.6 | 171.2 | -73 | 172.3 | -176.1 | 0 | 0 | 111.7 | K283 E284 M285 | K283-E287 WeakPolarHBondContact CE-OE1 3.48Å; K283-E287 IonicContact NZ-OE1 2.95Å; K283-E287 WeakPolarHBondContact O-CG 3.3Å; K283-E287 PolarHBondContact O-N 3.08Å; E284-E287 PolarHBondContact O-N 3.46Å; M285-E287 VanDerWaalsContact C-N 3.3Å; M285-E287 PolarHBondContact O-N 3.16Å |
| 288 | L | 94.7 | Very high | 95.1 | Very high | 83 Ų | 83 | 79.3 Ų | 79.3 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -82.1 | -43.9 | 175.1 | -59.9 | 173.2 | 0 | 0 | 0 | 112.3 | K218 E284 M285 C286 | K218-L288 HydrophobicContact CB-CD1 3.92Å; K218-L288 HydrophobicContact CB-CD2 4.37Å; K218-L288 HydrophobicContact CD-CD2 4.19Å; K218-L288 HydrophobicContact CG-CD1 4.29Å; K218-L288 HydrophobicContact CG-CD2 4.24Å; E284-L288 PolarHBondContact O-N 3.28Å; M285-L288 WeakPolarHBondContact O-CB 3.33Å; M285-L288 PolarHBondContact O-N 3.02Å; M285-L288 VanDerWaalsContact O-N 3.11Å; C286-L288 VanDerWaalsContact C-N 3.31Å |
| 289 | I | 96.3 | Very high | 95.3 | Very high | 44 Ų | 44 | 84.7 Ų | 84.7 | 23% | 0.226 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -139.1 | 99.4 | -176.4 | -55.9 | 160 | 0 | 0 | 0 | 107.7 | M285 C286 S291 L296 R299 | M285-I289 PolarHBondContact O-N 3.08Å; M285-I289 HydrophobicContact SD-CD1 4.32Å; C286-I289 WeakPolarHBondContact CA-O 3.48Å; C286-I289 CarbonylContact O-C 3.42Å; I289-S291 PolarHBondContact O-N 3.49Å; I289-L296 HydrophobicContact CG2-CD2 4.19Å; I289-R299 HydrophobicContact CD1-CG 3.94Å; I289-R299 HydrophobicContact CG1-CG 4.39Å; I289-R299 HydrophobicContact CG2-CB 4.2Å; I289-R299 HydrophobicContact CG2-CG 4.26Å |
| 290 | P | 97 | Very high | 95.3 | Very high | 46 Ų | 46 | 83.2 Ų | 83.2 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | trans | -52.4 | 142 | 175.9 | -29.2 | 36.4 | 0 | 0 | 0 | 112.4 | C286 D292 H295 | C286-P290 WeakPolarHBondContact O-CA 3.49Å; P290-D292 VanDerWaalsContact CB-OD2 3.27Å; P290-D292 WeakPolarHBondContact CB-OD2 3.38Å; P290-D292 PolarHBondContact O-N 2.99Å; P290-H295 HydrophobicContact CB-CB 4.02Å; P290-H295 HydrophobicContact CG-CB 4.42Å; P290-H295 WeakPolarHBondContact O-CB 3.34Å | ||
| 291 | S | 96.1 | Very high | 95.3 | Very high | 87 Ų | 87 | 83.4 Ų | 83.4 | 61% | 0.608 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -82.9 | 5.6 | -174.2 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | I289 L296 | I289-S291 PolarHBondContact O-N 3.49Å; S291-L296 VanDerWaalsContact O-CD1 3.3Å; S291-L296 WeakPolarHBondContact O-CD1 3.17Å |
| 292 | D | 96.4 | Very high | 95.4 | Very high | 68 Ų | 68 | 89.7 Ų | 89.7 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -72.7 | 157.9 | 173.6 | 67.4 | 84 | 0 | 0 | 0 | 111.5 | P290 Q294 H295 L296 | P290-D292 VanDerWaalsContact CB-OD2 3.27Å; P290-D292 WeakPolarHBondContact CB-OD2 3.38Å; P290-D292 PolarHBondContact O-N 2.99Å; D292-Q294 PolarHBondContact O-N 3.47Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.41Å; D292-Q294 PolarHBondContact OD1-N 3.36Å; D292-Q294 VanDerWaalsContact OD1-N 3.08Å; D292-H295 PolarHBondContact O-N 2.89Å; D292-H295 IonicContact OD1-CE1 3.65Å; D292-H295 IonicContact OD1-CG 3.75Å; D292-H295 PolarHBondContact OD1-N 3.14Å; D292-H295 VanDerWaalsContact OD1-N 3.1Å; D292-H295 IonicContact OD1-ND1 2.81Å; D292-H295 PolarHBondContact OD1-ND1 3.2Å; D292-H295 IonicContact OD2-CE1 2.93Å; D292-H295 IonicContact OD2-CG 3.91Å; D292-H295 IonicContact OD2-ND1 3.94Å; D292-H295 PolarHBondContact OD2-ND1 3.26Å; D292-L296 WeakPolarHBondContact O-CB 3.38Å; D292-L296 WeakPolarHBondContact O-CG 3.33Å; D292-L296 PolarHBondContact O-N 2.83Å; D292-L296 VanDerWaalsContact O-N 3.08Å |
| 293 | Q | 95 | Very high | 95.4 | Very high | 136 Ų | 136 | 90.4 Ų | 90.4 | 64% | 0.636 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.4 | -33.2 | -173 | -174 | 61.9 | 30 | 0 | 0 | 112.8 | S297 | Q293-S297 PolarHBondContact NE2-OG 3.43Å; Q293-S297 VanDerWaalsContact NE2-OG 3.08Å; Q293-S297 VanDerWaalsContact O-CB 3.22Å; Q293-S297 WeakPolarHBondContact O-CB 3.42Å; Q293-S297 PolarHBondContact O-N 3.37Å; Q293-S297 PolarHBondContact O-OG 2.91Å |
| 294 | Q | 96.6 | Very high | 95.2 | Very high | 153 Ų | 153 | 85.9 Ų | 85.9 | 72% | 0.715 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.6 | -52.4 | -177 | -177.5 | -177.9 | 4.4 | 0 | 0 | 110.5 | D292 S297 A298 | D292-Q294 PolarHBondContact O-N 3.47Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.41Å; D292-Q294 PolarHBondContact OD1-N 3.36Å; D292-Q294 VanDerWaalsContact OD1-N 3.08Å; Q294-S297 PolarHBondContact O-N 3.27Å; Q294-A298 WeakPolarHBondContact O-CB 3.35Å; Q294-A298 PolarHBondContact O-N 3.09Å |
| 295 | H | 96.6 | Very high | 95 | Very high | 86 Ų | 86 | 87 Ų | 87 | 40% | 0.398 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | -179.7 | -68.6 | 86.9 | 0 | 0 | 0 | 112 | P290 D292 S297 A298 R299 | P290-H295 HydrophobicContact CB-CB 4.02Å; P290-H295 HydrophobicContact CG-CB 4.42Å; P290-H295 WeakPolarHBondContact O-CB 3.34Å; D292-H295 PolarHBondContact O-N 2.89Å; D292-H295 IonicContact OD1-CE1 3.65Å; D292-H295 IonicContact OD1-CG 3.75Å; D292-H295 PolarHBondContact OD1-N 3.14Å; D292-H295 VanDerWaalsContact OD1-N 3.1Å; D292-H295 IonicContact OD1-ND1 2.81Å; D292-H295 PolarHBondContact OD1-ND1 3.2Å; D292-H295 IonicContact OD2-CE1 2.93Å; D292-H295 IonicContact OD2-CG 3.91Å; D292-H295 IonicContact OD2-ND1 3.94Å; D292-H295 PolarHBondContact OD2-ND1 3.26Å; H295-S297 VanDerWaalsContact C-N 3.34Å; H295-S297 PolarHBondContact O-N 3.49Å; H295-A298 PolarHBondContact O-N 2.75Å; H295-R299 WeakPolarHBondContact O-CB 3.46Å; H295-R299 PolarHBondContact O-N 3.37Å |
| 296 | L | 96.1 | Very high | 95 | Very high | 58 Ų | 58 | 88.9 Ų | 88.9 | 30% | 0.304 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 176.5 | -68.9 | -179.3 | 0 | 0 | 0 | 112.3 | I289 S291 D292 K300 | I289-L296 HydrophobicContact CG2-CD2 4.19Å; S291-L296 VanDerWaalsContact O-CD1 3.3Å; S291-L296 WeakPolarHBondContact O-CD1 3.17Å; D292-L296 WeakPolarHBondContact O-CB 3.38Å; D292-L296 WeakPolarHBondContact O-CG 3.33Å; D292-L296 PolarHBondContact O-N 2.83Å; D292-L296 VanDerWaalsContact O-N 3.08Å; L296-K300 WeakPolarHBondContact O-CB 3.48Å; L296-K300 WeakPolarHBondContact O-CD 3.47Å; L296-K300 WeakPolarHBondContact O-CG 3.39Å; L296-K300 PolarHBondContact O-N 3.42Å |
| 297 | S | 92.9 | Very high | 94.9 | Very high | 35 Ų | 35 | 89.2 Ų | 89.2 | 25% | 0.245 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.2 | -49 | 178.4 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | Q293 Q294 H295 R299 K300 E301 | Q293-S297 PolarHBondContact NE2-OG 3.43Å; Q293-S297 VanDerWaalsContact NE2-OG 3.08Å; Q293-S297 VanDerWaalsContact O-CB 3.22Å; Q293-S297 WeakPolarHBondContact O-CB 3.42Å; Q293-S297 PolarHBondContact O-N 3.37Å; Q293-S297 PolarHBondContact O-OG 2.91Å; Q294-S297 PolarHBondContact O-N 3.27Å; H295-S297 VanDerWaalsContact C-N 3.34Å; H295-S297 PolarHBondContact O-N 3.49Å; S297-R299 VanDerWaalsContact C-N 3.26Å; S297-R299 PolarHBondContact O-N 3.03Å; S297-K300 PolarHBondContact O-N 2.98Å; S297-K300 VanDerWaalsContact O-N 3.12Å; S297-E301 WeakPolarHBondContact O-CG 3.4Å; S297-E301 PolarHBondContact O-N 3.47Å |
| 298 | A | 94.1 | Very high | 94.5 | Very high | 54 Ų | 54 | 83.8 Ų | 83.8 | 45% | 0.446 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.7 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q294 H295 R302 | Q294-A298 WeakPolarHBondContact O-CB 3.35Å; Q294-A298 PolarHBondContact O-N 3.09Å; H295-A298 PolarHBondContact O-N 2.75Å; A298-R302 PolarHBondContact O-N 3.42Å |
| 299 | R | 95.8 | Very high | 94.3 | Very high | 124 Ų | 124 | 84.8 Ų | 84.8 | 47% | 0.468 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.4 | -38.6 | 177 | -168.3 | 65.9 | 176.8 | 174.8 | 1.9 | 112.5 | I289 H295 S297 R302 R303 | I289-R299 HydrophobicContact CD1-CG 3.94Å; I289-R299 HydrophobicContact CG1-CG 4.39Å; I289-R299 HydrophobicContact CG2-CB 4.2Å; I289-R299 HydrophobicContact CG2-CG 4.26Å; H295-R299 WeakPolarHBondContact O-CB 3.46Å; H295-R299 PolarHBondContact O-N 3.37Å; S297-R299 VanDerWaalsContact C-N 3.26Å; S297-R299 PolarHBondContact O-N 3.03Å; R299-R302 PolarHBondContact O-N 3.31Å; R299-R303 PolarHBondContact O-N 2.84Å |
| 300 | K | 93.8 | Very high | 94.3 | Very high | 98 Ų | 98 | 85.2 Ų | 85.2 | 43% | 0.426 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 174.5 | -73.8 | 166 | -173.4 | 172.9 | 0 | 111.3 | L296 S297 R302 R303 D304 | L296-K300 WeakPolarHBondContact O-CB 3.48Å; L296-K300 WeakPolarHBondContact O-CD 3.47Å; L296-K300 WeakPolarHBondContact O-CG 3.39Å; L296-K300 PolarHBondContact O-N 3.42Å; S297-K300 PolarHBondContact O-N 2.98Å; S297-K300 VanDerWaalsContact O-N 3.12Å; K300-R302 VanDerWaalsContact C-N 3.35Å; K300-R302 PolarHBondContact O-N 2.98Å; K300-R303 WeakPolarHBondContact O-CB 3.27Å; K300-R303 PolarHBondContact O-N 3.11Å; K300-D304 WeakPolarHBondContact O-CB 3.46Å; K300-D304 PolarHBondContact O-N 3.49Å |
| 301 | E | 91.6 | Very high | 93.9 | Very high | 134 Ų | 134 | 84 Ų | 84 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -57.8 | -46.7 | 175.3 | -73.2 | 169.5 | -170.5 | 0 | 0 | 111.5 | S297 R303 D304 L305 | S297-E301 WeakPolarHBondContact O-CG 3.4Å; S297-E301 PolarHBondContact O-N 3.47Å; E301-R303 PolarHBondContact O-N 3.42Å; E301-D304 PolarHBondContact O-N 3.49Å; E301-L305 WeakPolarHBondContact O-CB 2.99Å; E301-L305 PolarHBondContact O-N 3.32Å |
| 302 | R | 94.6 | Very high | 93.5 | Very high | 154 Ų | 154 | 85.2 Ų | 85.2 | 58% | 0.581 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.2 | -43.7 | 175.4 | -177.5 | 173.8 | 177.1 | 175.3 | -0.7 | 112.4 | A298 R299 K300 D304 L305 L306 | A298-R302 PolarHBondContact O-N 3.42Å; R299-R302 PolarHBondContact O-N 3.31Å; K300-R302 VanDerWaalsContact C-N 3.35Å; K300-R302 PolarHBondContact O-N 2.98Å; R302-D304 VanDerWaalsContact C-N 3.33Å; R302-L305 PolarHBondContact O-N 2.89Å; R302-L306 HydrophobicContact CG-CD1 4.43Å; R302-L306 WeakPolarHBondContact O-CG 2.77Å; R302-L306 PolarHBondContact O-N 3.19Å; R302-L306 VanDerWaalsContact O-N 3.13Å |
| 303 | R | 96 | Very high | 93.4 | Very high | 100 Ų | 100 | 85.6 Ų | 85.6 | 38% | 0.377 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 176.3 | 178.6 | -159.2 | 65.9 | -170.1 | -1.9 | 110.5 | R299 K300 E301 L305 L306 L307 | R299-R303 PolarHBondContact O-N 2.84Å; K300-R303 WeakPolarHBondContact O-CB 3.27Å; K300-R303 PolarHBondContact O-N 3.11Å; E301-R303 PolarHBondContact O-N 3.42Å; R303-L305 VanDerWaalsContact C-N 3.35Å; R303-L305 PolarHBondContact O-N 3.37Å; R303-L306 PolarHBondContact O-N 3.35Å; R303-L307 HydrophobicContact CG-CD1 4.08Å; R303-L307 HydrophobicContact CG-CG 4.46Å; R303-L307 WeakPolarHBondContact O-CG 3.49Å; R303-L307 PolarHBondContact O-N 2.74Å |
| 304 | D | 91.9 | Very high | 93.2 | Very high | 39 Ų | 39 | 83.2 Ų | 83.2 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68 | -36.6 | -175.6 | -67.8 | -4.3 | 0 | 0 | 0 | 111.3 | Y152 K300 E301 R302 L307 M308 | Y152-D304 HydrophobicContact CD2-CB 4.39Å; Y152-D304 HydrophobicContact CE2-CB 4.04Å; K300-D304 WeakPolarHBondContact O-CB 3.46Å; K300-D304 PolarHBondContact O-N 3.49Å; E301-D304 PolarHBondContact O-N 3.49Å; R302-D304 VanDerWaalsContact C-N 3.33Å; D304-L307 PolarHBondContact O-N 2.93Å; D304-M308 VanDerWaalsContact O-CB 3.28Å; D304-M308 WeakPolarHBondContact O-CB 3.33Å; D304-M308 PolarHBondContact O-N 3.41Å |
| 305 | L | 90.8 | Very high | 92.5 | Very high | 91 Ų | 91 | 83.5 Ų | 83.5 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 171 | -175 | 70.6 | 0 | 0 | 0 | 112.4 | E301 R302 R303 M308 H309 | E301-L305 WeakPolarHBondContact O-CB 2.99Å; E301-L305 PolarHBondContact O-N 3.32Å; R302-L305 PolarHBondContact O-N 2.89Å; R303-L305 VanDerWaalsContact C-N 3.35Å; R303-L305 PolarHBondContact O-N 3.37Å; L305-M308 HydrophobicContact CD1-CE 3.52Å; L305-M308 WeakPolarHBondContact O-CB 3.3Å; L305-M308 PolarHBondContact O-N 3.34Å; L305-H309 PolarHBondContact O-N 3.39Å |
| 306 | L | 94.9 | Very high | 91.2 | Very high | 103 Ų | 103 | 84.9 Ų | 84.9 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.4 | -68.7 | 171 | 0 | 0 | 0 | 111.7 | R302 R303 M308 H309 L310 | R302-L306 HydrophobicContact CG-CD1 4.43Å; R302-L306 WeakPolarHBondContact O-CG 2.77Å; R302-L306 PolarHBondContact O-N 3.19Å; R302-L306 VanDerWaalsContact O-N 3.13Å; R303-L306 PolarHBondContact O-N 3.35Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.32Å; L306-H309 PolarHBondContact O-N 3Å; L306-L310 WeakPolarHBondContact O-CB 3.48Å; L306-L310 PolarHBondContact O-N 3.32Å |
| 307 | L | 94.8 | Very high | 89.4 | Confident | 48 Ų | 48 | 91.4 Ų | 91.4 | 25% | 0.251 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 175.5 | -71.6 | 173.7 | 0 | 0 | 0 | 111.6 | P149 V153 R303 D304 L310 A311 | P149-L307 HydrophobicContact CG-CD1 4.01Å; V153-L307 HydrophobicContact CG2-CD1 4.18Å; V153-L307 HydrophobicContact CG2-CD2 4.44Å; R303-L307 HydrophobicContact CG-CD1 4.08Å; R303-L307 HydrophobicContact CG-CG 4.46Å; R303-L307 WeakPolarHBondContact O-CG 3.49Å; R303-L307 PolarHBondContact O-N 2.74Å; D304-L307 PolarHBondContact O-N 2.93Å; L307-L310 PolarHBondContact O-N 3.03Å; L307-A311 VanDerWaalsContact O-CB 3.28Å; L307-A311 WeakPolarHBondContact O-CB 3.32Å; L307-A311 PolarHBondContact O-N 3.14Å |
| 308 | M | 88.7 | Confident | 89.2 | Confident | 19 Ų | 19 | 94.3 Ų | 94.3 | 9% | 0.094 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 175 | -178.9 | -166.1 | 80.5 | 0 | 0 | 111.5 | M61 Y152 D304 L305 L306 L310 A311 K312 | M61-M308 HydrophobicContact CB-SD 4.14Å; M61-M308 HydrophobicContact CE-CE 4.34Å; M61-M308 HydrophobicContact CE-CG 3.4Å; M61-M308 VanDerWaalsContact CE-CG 3.4Å; M61-M308 HydrophobicContact CE-SD 4.09Å; M61-M308 HydrophobicContact CG-CE 4.06Å; M61-M308 HydrophobicContact CG-CG 4.32Å; M61-M308 HydrophobicContact CG-SD 3.73Å; Y152-M308 HydrophobicContact CD1-CB 3.89Å; Y152-M308 HydrophobicContact CD1-CG 4.06Å; Y152-M308 HydrophobicContact CE1-CB 3.94Å; Y152-M308 HydrophobicContact CE1-CG 3.86Å; Y152-M308 HydrophobicContact CE1-SD 4.47Å; Y152-M308 HydrophobicContact CG-CB 4.23Å; D304-M308 VanDerWaalsContact O-CB 3.28Å; D304-M308 WeakPolarHBondContact O-CB 3.33Å; D304-M308 PolarHBondContact O-N 3.41Å; L305-M308 HydrophobicContact CD1-CE 3.52Å; L305-M308 WeakPolarHBondContact O-CB 3.3Å; L305-M308 PolarHBondContact O-N 3.34Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.32Å; M308-L310 PolarHBondContact O-N 3.22Å; M308-A311 PolarHBondContact O-N 3.45Å; M308-K312 PolarHBondContact O-N 2.91Å |
| 309 | H | 91.4 | Very high | 88.9 | Confident | 104 Ų | 104 | 96.4 Ų | 96.4 | 48% | 0.481 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 175.8 | -70.6 | 169.9 | 0 | 0 | 0 | 112.5 | L305 L306 K312 L313 | L305-H309 PolarHBondContact O-N 3.39Å; L306-H309 PolarHBondContact O-N 3Å; H309-K312 WeakPolarHBondContact O-CB 3.21Å; H309-K312 PolarHBondContact O-N 3.38Å; H309-L313 PolarHBondContact O-N 3.46Å |
| 310 | L | 94.4 | Very high | 88.5 | Confident | 53 Ų | 53 | 94.8 Ų | 94.8 | 28% | 0.277 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 175.5 | 179.9 | 61.3 | 0 | 0 | 0 | 111.6 | A233 F234 L306 L307 M308 K312 L313 K314 | A233-L310 HydrophobicContact CB-CD1 4.24Å; A233-L310 HydrophobicContact CB-CD2 4Å; F234-L310 HydrophobicContact CE1-CD1 4.27Å; F234-L310 HydrophobicContact CZ-CD1 4.03Å; L306-L310 WeakPolarHBondContact O-CB 3.48Å; L306-L310 PolarHBondContact O-N 3.32Å; L307-L310 PolarHBondContact O-N 3.03Å; M308-L310 PolarHBondContact O-N 3.22Å; L310-K312 VanDerWaalsContact C-N 3.27Å; L310-K312 PolarHBondContact O-N 3.3Å; L310-L313 HydrophobicContact CD1-CD2 4.41Å; L310-L313 PolarHBondContact O-N 3.34Å; L310-K314 HydrophobicContact CD1-CD 4.21Å; L310-K314 HydrophobicContact CD1-CG 4.16Å; L310-K314 HydrophobicContact CG-CD 4.07Å; L310-K314 HydrophobicContact CG-CG 4.41Å; L310-K314 WeakPolarHBondContact O-CB 3.43Å; L310-K314 VanDerWaalsContact O-CG 3.32Å; L310-K314 WeakPolarHBondContact O-CG 3.36Å; L310-K314 PolarHBondContact O-N 2.95Å |
| 311 | A | 90.3 | Very high | 88.2 | Confident | 21 Ų | 21 | 94.6 Ų | 94.6 | 17% | 0.174 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L307 M308 K315 | L307-A311 VanDerWaalsContact O-CB 3.28Å; L307-A311 WeakPolarHBondContact O-CB 3.32Å; L307-A311 PolarHBondContact O-N 3.14Å; M308-A311 PolarHBondContact O-N 3.45Å; A311-K315 PolarHBondContact O-N 2.9Å |
| 312 | K | 87.8 | Confident | 88 | Confident | 111 Ų | 111 | 92.2 Ų | 92.2 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.4 | -52 | 171.5 | -173.7 | 174.9 | -176.1 | 168.1 | 0 | 111.1 | M61 M308 H309 L310 K314 K315 | M61-K312 HydrophobicContact CE-CB 3.97Å; M61-K312 HydrophobicContact CE-CD 4.11Å; M61-K312 HydrophobicContact CE-CG 4.45Å; M61-K312 HydrophobicContact SD-CD 3.95Å; M308-K312 PolarHBondContact O-N 2.91Å; H309-K312 WeakPolarHBondContact O-CB 3.21Å; H309-K312 PolarHBondContact O-N 3.38Å; L310-K312 VanDerWaalsContact C-N 3.27Å; L310-K312 PolarHBondContact O-N 3.3Å; K312-K314 VanDerWaalsContact C-N 3.26Å; K312-K314 PolarHBondContact O-N 3.17Å; K312-K315 WeakPolarHBondContact O-CB 3.43Å; K312-K315 PolarHBondContact O-N 3.15Å |
| 313 | L | 92.7 | Very high | 87.6 | Confident | 77 Ų | 77 | 88.1 Ų | 88.1 | 40% | 0.403 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -54.9 | -42 | 177.2 | 178.8 | 64 | 0 | 0 | 0 | 112.2 | F234 H309 L310 K315 D316 H317 | F234-L313 HydrophobicContact CE1-CD2 4.05Å; F234-L313 HydrophobicContact CE1-CG 4.41Å; F234-L313 HydrophobicContact CZ-CD2 3.82Å; H309-L313 PolarHBondContact O-N 3.46Å; L310-L313 HydrophobicContact CD1-CD2 4.41Å; L310-L313 PolarHBondContact O-N 3.34Å; L313-K315 VanDerWaalsContact C-N 3.26Å; L313-K315 PolarHBondContact O-N 3.21Å; L313-D316 PolarHBondContact O-N 3.3Å; L313-H317 PolarHBondContact O-CD2 2.95Å |
| 314 | K | 91.4 | Very high | 87 | Confident | 85 Ų | 85 | 87.2 Ų | 87.2 | 37% | 0.37 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -6.1 | 177.7 | -69 | 179.6 | 67.2 | 64.1 | 0 | 114.7 | A233 F234 L310 K312 H317 | A233-K314 WeakPolarHBondContact O-CD 2.98Å; A233-K314 WeakPolarHBondContact O-CE 3.48Å; A233-K314 PolarHBondContact O-NZ 3.43Å; F234-K314 HydrophobicContact CD1-CG 4.34Å; F234-K314 HydrophobicContact CE1-CG 4.19Å; L310-K314 HydrophobicContact CD1-CD 4.21Å; L310-K314 HydrophobicContact CD1-CG 4.16Å; L310-K314 HydrophobicContact CG-CD 4.07Å; L310-K314 HydrophobicContact CG-CG 4.41Å; L310-K314 WeakPolarHBondContact O-CB 3.43Å; L310-K314 VanDerWaalsContact O-CG 3.32Å; L310-K314 WeakPolarHBondContact O-CG 3.36Å; L310-K314 PolarHBondContact O-N 2.95Å; K312-K314 VanDerWaalsContact C-N 3.26Å; K312-K314 PolarHBondContact O-N 3.17Å; K314-H317 VanDerWaalsContact O-OXT 3.06Å |
| 315 | K | 82.1 | Confident | 86.6 | Confident | 160 Ų | 160 | 90.9 Ų | 90.9 | 70% | 0.696 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -28.6 | 172.5 | -172.7 | -177.1 | 173.8 | -174.3 | 0 | 110.7 | A311 K312 L313 H317 | A311-K315 PolarHBondContact O-N 2.9Å; K312-K315 WeakPolarHBondContact O-CB 3.43Å; K312-K315 PolarHBondContact O-N 3.15Å; L313-K315 VanDerWaalsContact C-N 3.26Å; L313-K315 PolarHBondContact O-N 3.21Å; K315-H317 VanDerWaalsContact C-N 3.29Å |
| 316 | D | 70.3 | Confident | 86.3 | Confident | 115 Ų | 115 | 90.9 Ų | 90.9 | 62% | 0.615 | 44% | 0.44 | S | S | * | . | trans | -87.1 | -1.1 | -175.3 | -58 | -25.6 | 0 | 0 | 0 | 112.7 | L313 | L313-D316 PolarHBondContact O-N 3.3Š| ||
| 317 | H | 56.4 | Low | 85.5 | Confident | 195 Ų | 195 | 89.8 Ų | 89.8 | 90% | 0.903 | 43% | 0.431 | S | S | * | . | trans | -138.9 | 0 | -179 | -65.8 | -62.4 | 0 | 0 | 0 | 110.7 | L313 K314 K315 | L313-H317 PolarHBondContact O-CD2 2.95Å; K314-H317 VanDerWaalsContact O-OXT 3.06Å; K315-H317 VanDerWaalsContact C-N 3.29Å |
Retrieved 317 of 317 residues in 254.9 ms
(Link to these results)