| 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 | 77.5 | Confident | 94.2 | Very high | 78 Ų | 78 | 10.2 Ų | 10.2 | 38% | 0.384 | 6% | 0.055 | S | C | . | . | 0 | 135.3 | 0 | -171.4 | 179.4 | -72.2 | 0 | 0 | 107.7 | N4 Y80 F83 E315 H317 | M1-N4 HydrophobicContact SD-CB 4.4Å; M1-Y80 HydrophobicContact CE-CD1 4.1Å; M1-Y80 HydrophobicContact CE-CE1 3.86Å; M1-Y80 HydrophobicContact SD-CD1 4.03Å; M1-Y80 HydrophobicContact SD-CE1 4Å; M1-F83 HydrophobicContact CB-CD2 3.87Å; M1-F83 HydrophobicContact CB-CE2 3.86Å; M1-F83 HydrophobicContact CB-CG 4.35Å; M1-F83 HydrophobicContact CB-CZ 4.31Å; M1-F83 HydrophobicContact CG-CD2 4.4Å; M1-F83 HydrophobicContact CG-CE1 4.29Å; M1-F83 HydrophobicContact CG-CE2 4.11Å; M1-F83 HydrophobicContact CG-CZ 4.04Å; M1-F83 VanDerWaalsContact O-CE2 3.29Å; M1-F83 WeakPolarHBondContact O-CE2 3.37Å; M1-F83 HydrophobicContact SD-CD1 3.75Å; M1-F83 HydrophobicContact SD-CD2 4.46Å; M1-F83 HydrophobicContact SD-CE1 3.74Å; M1-F83 HydrophobicContact SD-CE2 4.47Å; M1-F83 HydrophobicContact SD-CG 4.12Å; M1-F83 HydrophobicContact SD-CZ 4.11Å; M1-E315 HydrophobicContact CE-CG 4.39Å; M1-H317 WeakPolarHBondContact CE-CE1 3.39Å | |||
| 2 | G | 83 | Confident | 94.5 | Very high | 11 Ų | 11 | 9.7 Ų | 9.7 | 11% | 0.113 | 5% | 0.052 | C | C | . | . | trans | -92.6 | -57.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K270 L316 | G2-K270 VanDerWaalsContact O-CE 3.28Å; G2-K270 WeakPolarHBondContact O-CE 3.03Å; G2-L316 PolarHBondContact N-O 3.04Å | ||
| 3 | I | 93.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 10.6 Ų | 10.6 | 2% | 0.015 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 149.9 | 176.8 | -169.6 | 162.1 | 0 | 0 | 0 | 110.5 | F5 M267 K270 K280 F282 L316 | I3-F5 HydrophobicContact CD1-CZ 4.32Å; I3-F5 HydrophobicContact CG1-CE2 4.43Å; I3-F5 HydrophobicContact CG1-CZ 4.44Å; I3-F5 HydrophobicContact CG2-CE2 3.74Å; I3-F5 HydrophobicContact CG2-CZ 4.14Å; I3-M267 HydrophobicContact CG2-CG 4.47Å; I3-K270 HydrophobicContact CB-CG 4.08Å; I3-K270 HydrophobicContact CG2-CB 4.22Å; I3-K270 HydrophobicContact CG2-CG 4.09Å; I3-K280 CarbonylContact C-O 3.57Å; I3-K280 WeakPolarHBondContact CA-O 3.34Å; I3-F282 HydrophobicContact CD1-CD2 3.65Å; I3-F282 HydrophobicContact CD1-CE2 3.48Å; I3-F282 VanDerWaalsContact CD1-CE2 3.48Å; I3-F282 HydrophobicContact CG1-CD2 4.25Å; I3-L316 HydrophobicContact CG2-CB 3.75Å; I3-L316 HydrophobicContact CG2-CD2 3.99Å; I3-L316 PolarHBondContact N-O 3.5Å; I3-L316 PolarHBondContact O-N 3.5Å |
| 4 | N | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.9 | -178.3 | -170.7 | -63.1 | 0 | 0 | 0 | 110.8 | M1 Q6 Y80 F83 K280 M281 F282 | M1-N4 HydrophobicContact SD-CB 4.4Å; N4-Q6 WeakPolarHBondContact OD1-CG 3.45Å; N4-Q6 PolarHBondContact OD1-NE2 3.21Å; N4-Y80 WeakPolarHBondContact ND2-CE1 3.08Å; N4-Y80 PolarHBondContact ND2-OH 3.08Å; N4-F83 HydrophobicContact CB-CE1 4.29Å; N4-K280 PolarHBondContact N-O 2.94Å; N4-M281 HydrophobicContact CB-CE 3.99Å; N4-M281 HydrophobicContact CB-CG 4.33Å; N4-M281 CarbonylContact O-C 3.57Å; N4-M281 VanDerWaalsContact O-CA 3.28Å; N4-M281 WeakPolarHBondContact O-CA 3.47Å; N4-F282 PolarHBondContact O-N 3.41Å |
| 5 | F | 98 | Very high | 94.8 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 1% | 0.013 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.7 | 170 | -55.2 | -96.6 | 0 | 0 | 0 | 108.7 | I3 I263 N266 M267 F282 Y284 I314 | I3-F5 HydrophobicContact CD1-CZ 4.32Å; I3-F5 HydrophobicContact CG1-CE2 4.43Å; I3-F5 HydrophobicContact CG1-CZ 4.44Å; I3-F5 HydrophobicContact CG2-CE2 3.74Å; I3-F5 HydrophobicContact CG2-CZ 4.14Å; F5-I263 HydrophobicContact CB-CG1 4.48Å; F5-I263 HydrophobicContact CD1-CB 4.43Å; F5-I263 HydrophobicContact CD1-CG1 3.91Å; F5-I263 HydrophobicContact CD1-CG2 4.39Å; F5-I263 HydrophobicContact CD2-CG2 4Å; F5-I263 HydrophobicContact CE1-CB 4.46Å; F5-I263 HydrophobicContact CE1-CG1 4.36Å; F5-I263 HydrophobicContact CE1-CG2 4.47Å; F5-I263 HydrophobicContact CE2-CG2 4.1Å; F5-I263 HydrophobicContact CG-CG1 4.16Å; F5-I263 HydrophobicContact CG-CG2 4.17Å; F5-I263 HydrophobicContact CZ-CG2 4.33Å; F5-I263 WeakPolarHBondContact CZ-O 3.41Å; F5-N266 HydrophobicContact CE1-CB 3.6Å; F5-N266 HydrophobicContact CZ-CB 3.56Å; F5-M267 HydrophobicContact CD2-CE 3.91Å; F5-M267 HydrophobicContact CE2-CE 3.7Å; F5-M267 HydrophobicContact CE2-CG 3.57Å; F5-M267 HydrophobicContact CE2-SD 4.49Å; F5-M267 HydrophobicContact CZ-CG 3.99Å; F5-F282 WeakPolarHBondContact CA-O 3.21Å; F5-F282 HydrophobicContact CD1-CB 3.72Å; F5-F282 AromaticContact CD1-CD2 3.73Å; F5-F282 HydrophobicContact CD1-CD2 3.73Å; F5-F282 AromaticContact CD1-CG 3.97Å; F5-F282 HydrophobicContact CD1-CG 3.97Å; F5-F282 HydrophobicContact CE1-CB 4.23Å; F5-F282 AromaticContact CE1-CD2 3.33Å; F5-F282 HydrophobicContact CE1-CD2 3.33Å; F5-F282 AromaticContact CE1-CE2 3.86Å; F5-F282 HydrophobicContact CE1-CE2 3.86Å; F5-F282 AromaticContact CE1-CG 3.96Å; F5-F282 HydrophobicContact CE1-CG 3.96Å; F5-F282 HydrophobicContact CG-CB 4.49Å; F5-F282 HydrophobicContact CZ-CD2 4.06Å; F5-F282 HydrophobicContact CZ-CE2 4.38Å; F5-Y284 HydrophobicContact CD1-CE2 4.34Å; F5-I314 HydrophobicContact CB-CB 4.27Å; F5-I314 WeakPolarHBondContact CD2-O 3.43Å; F5-I314 PolarHBondContact N-O 2.97Å; F5-I314 PolarHBondContact O-N 2.5Å |
| 6 | Q | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.5 | -179.9 | -53.8 | -175.4 | -17.7 | 0 | 0 | 108.9 | N4 M281 F282 M283 Y284 F313 | N4-Q6 WeakPolarHBondContact OD1-CG 3.45Å; N4-Q6 PolarHBondContact OD1-NE2 3.21Å; Q6-M281 HydrophobicContact CG-CG 4.28Å; Q6-M281 HydrophobicContact CG-SD 4.26Å; Q6-M281 PolarHBondContact NE2-SD 2.94Å; Q6-M281 PolarHBondContact OE1-SD 3.39Å; Q6-F282 PolarHBondContact N-O 3.49Å; Q6-M283 CarbonylContact O-C 3.57Å; Q6-M283 VanDerWaalsContact OE1-CE 3.28Å; Q6-Y284 WeakPolarHBondContact O-CB 3.36Å; Q6-Y284 PolarHBondContact O-N 3.34Å; Q6-F313 HydrophobicContact CG-CD1 4.15Å |
| 7 | L | 98.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 15 Ų | 15 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.4 | 170.8 | -178.9 | 69 | 0 | 0 | 0 | 107.5 | L145 L259 Y284 A286 T290 L291 L294 C311 L312 | L7-L145 HydrophobicContact CD1-CD2 4.19Å; L7-L259 HydrophobicContact CD2-CD2 4.03Å; L7-Y284 VanDerWaalsContact CD1-CB 3.49Å; L7-Y284 HydrophobicContact CD1-CG 4.44Å; L7-A286 HydrophobicContact CD1-CB 3.89Å; L7-T290 HydrophobicContact CD1-CG2 4Å; L7-T290 HydrophobicContact CD2-CG2 4.1Å; L7-L291 HydrophobicContact CB-CD2 4.29Å; L7-L291 HydrophobicContact CD2-CD2 3.89Å; L7-L291 HydrophobicContact CD2-CG 4.06Å; L7-L291 HydrophobicContact CG-CD2 3.96Å; L7-L291 HydrophobicContact CG-CG 4.11Å; L7-L294 HydrophobicContact CD2-CB 4.27Å; L7-L294 HydrophobicContact CD2-CD2 3.58Å; L7-C311 CarbonylContact O-C 3.58Å; L7-C311 WeakPolarHBondContact O-CA 3.37Å; L7-L312 PolarHBondContact N-O 2.79Å; L7-L312 PolarHBondContact O-N 3.22Å |
| 8 | Y | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151 | 177 | 55.4 | -99.8 | 0 | 0 | 0 | 112.7 | L72 H110 M283 Y284 S285 A286 A310 | Y8-L72 HydrophobicContact CG-CD2 4.24Å; Y8-H110 AromaticContact CD1-CE1 3.61Å; Y8-H110 AromaticContact CD1-ND1 3.82Å; Y8-H110 AromaticContact CE1-CE1 3.41Å; Y8-H110 VanDerWaalsContact CE1-CE1 3.41Å; Y8-H110 WeakPolarHBondContact CE1-CE1 3.32Å; Y8-H110 AromaticContact CE1-ND1 3.4Å; Y8-H110 WeakPolarHBondContact CE1-ND1 3.29Å; Y8-H110 AromaticContact CE2-ND1 3.81Å; Y8-H110 AromaticContact CZ-CE1 3.94Å; Y8-H110 AromaticContact CZ-CG 3.93Å; Y8-H110 AromaticContact CZ-ND1 3.42Å; Y8-M283 HydrophobicContact CD1-CG 4.39Å; Y8-M283 HydrophobicContact CE1-CG 3.41Å; Y8-M283 VanDerWaalsContact CE1-CG 3.41Å; Y8-M283 HydrophobicContact CE1-SD 3.74Å; Y8-M283 PolarHBondContact OH-SD 2.95Å; Y8-Y284 PolarHBondContact N-O 3.16Å; Y8-S285 VanDerWaalsContact CE2-CB 3.44Å; Y8-S285 WeakPolarHBondContact CE2-OG 3.42Å; Y8-A286 PolarHBondContact O-N 2.98Å; Y8-A310 CarbonylContact C-O 3.51Å; Y8-A310 WeakPolarHBondContact CA-O 3.38Å; Y8-A310 VanDerWaalsContact CB-O 3.28Å; Y8-A310 WeakPolarHBondContact CB-O 3.33Å |
| 9 | R | 98.1 | Very high | 95 | Very high | 8 Ų | 8 | 14.3 Ų | 14.3 | 3% | 0.03 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 139.3 | 168.4 | -173 | 178.5 | -175.2 | -162.8 | 3 | 108.5 | Q69 D288 L291 P306 P307 F308 A309 A310 | R9-Q69 PolarHBondContact O-NE2 3.02Å; R9-D288 HydrophobicContact CG-CB 4.48Å; R9-D288 IonicContact CZ-OD2 2.65Å; R9-D288 IonicContact NE-OD2 2.84Å; R9-D288 PolarHBondContact NE-OD2 3.44Å; R9-D288 IonicContact NH2-OD2 3.74Å; R9-D288 PolarHBondContact NH2-OD2 3.28Å; R9-L291 HydrophobicContact CB-CD1 3.88Å; R9-P306 VanDerWaalsContact CD-O 3.28Å; R9-P306 WeakPolarHBondContact CD-O 3.45Å; R9-P306 PolarHBondContact NH1-O 3.14Å; R9-P307 VanDerWaalsContact CD-O 3.25Å; R9-P307 WeakPolarHBondContact CD-O 3.34Å; R9-P307 VanDerWaalsContact NH1-C 3.34Å; R9-F308 VanDerWaalsContact CZ-CE1 3.46Å; R9-A309 WeakPolarHBondContact O-CA 3.41Å; R9-A309 PolarHBondContact O-N 3.36Å; R9-A310 PolarHBondContact N-O 3.16Å |
| 10 | H | 98.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | P | Polyproline II helix | trans | -49.9 | 161.9 | 167.7 | 58.7 | 70.8 | 0 | 0 | 0 | 113 | Q69 R102 T103 S106 A286 H287 F308 A309 | H10-Q69 VanDerWaalsContact C-NE2 3.32Å; H10-R102 PolarHBondContact NE2-NE 2.69Å; H10-R102 VanDerWaalsContact NE2-NE 3.15Å; H10-T103 HydrophobicContact CB-CG2 3.85Å; H10-S106 WeakPolarHBondContact CA-OG 3.29Å; H10-S106 WeakPolarHBondContact CB-OG 3.29Å; H10-A286 PolarHBondContact CD2-O 3.5Å; H10-A286 VanDerWaalsContact CD2-O 3.26Å; H10-A286 PolarHBondContact N-O 3.22Å; H10-H287 AromaticContact CD2-CE1 3.91Å; H10-H287 AromaticContact CD2-ND1 3.31Å; H10-H287 PolarHBondContact CD2-ND1 3.42Å; H10-H287 VanDerWaalsContact CD2-ND1 3.31Å; H10-H287 AromaticContact NE2-ND1 3.37Å; H10-H287 PolarHBondContact NE2-ND1 3.42Å; H10-F308 AromaticContact CE1-CE1 3.84Å; H10-A309 PolarHBondContact O-N 3.06Å |
| 11 | G | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 171.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R13 G65 Q69 S106 F308 | G11-R13 PolarHBondContact O-N 3.15Å; G11-G65 WeakPolarHBondContact CA-O 3.46Å; G11-Q69 VanDerWaalsContact N-NE2 3.19Å; G11-S106 PolarHBondContact N-OG 3.09Å; G11-F308 WeakPolarHBondContact O-CD1 3.02Å |
| 12 | E | 97.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.019 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 131.5 | 176.3 | -172.3 | 167.9 | 100.2 | 0 | 0 | 111.1 | L36 T37 K64 G65 L203 N206 F308 | E12-L36 WeakPolarHBondContact O-CA 3.5Å; E12-T37 PolarHBondContact O-N 3.09Å; E12-K64 VanDerWaalsContact OE1-CD 3.31Å; E12-K64 WeakPolarHBondContact OE1-CD 3.39Å; E12-K64 VanDerWaalsContact OE1-CE 3.29Å; E12-K64 WeakPolarHBondContact OE1-CE 3.47Å; E12-K64 IonicContact OE1-NZ 3.93Å; E12-K64 PolarHBondContact OE1-NZ 3.16Å; E12-K64 IonicContact OE2-NZ 3.88Å; E12-K64 PolarHBondContact OE2-NZ 2.82Å; E12-G65 WeakPolarHBondContact O-CA 3.41Å; E12-L203 HydrophobicContact CG-CD2 4.22Å; E12-N206 PolarHBondContact OE2-ND2 3.45Å; E12-F308 VanDerWaalsContact CA-CG 3.49Å; E12-F308 HydrophobicContact CB-CB 4.24Å; E12-F308 HydrophobicContact CB-CD1 4.4Å; E12-F308 HydrophobicContact CB-CD2 3.61Å; E12-F308 HydrophobicContact CB-CE2 4Å; E12-F308 HydrophobicContact CB-CG 3.84Å; E12-F308 HydrophobicContact CG-CD2 3.67Å; E12-F308 HydrophobicContact CG-CE2 3.57Å; E12-F308 HydrophobicContact CG-CG 4.35Å; E12-F308 HydrophobicContact CG-CZ 4.17Å |
| 13 | R | 96.1 | Very high | 96.9 | Very high | 22 Ų | 22 | 21.2 Ų | 21.2 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -125.4 | 155.6 | -177.3 | 55.3 | 132.1 | -172.7 | 87.4 | 4.5 | 110.8 | G11 Q35 T37 L203 F308 | G11-R13 PolarHBondContact O-N 3.15Å; R13-Q35 CarbonylContact C-O 3.45Å; R13-Q35 WeakPolarHBondContact CA-O 3.33Å; R13-Q35 WeakPolarHBondContact CB-O 3.49Å; R13-T37 WeakPolarHBondContact CA-OG1 3.35Å; R13-T37 PolarHBondContact N-OG1 3.1Å; R13-T37 PolarHBondContact O-OG1 3.33Å; R13-L203 WeakPolarHBondContact O-CD2 3.36Å; R13-F308 HydrophobicContact CG-CE1 4.1Å; R13-F308 HydrophobicContact CG-CZ 4.42Å |
| 14 | T | 96.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | trans | -64.9 | 164.4 | 171.3 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | W29 G32 F33 K34 Q35 T37 | T14-W29 HydrophobicContact CG2-CB 4.14Å; T14-W29 HydrophobicContact CG2-CD2 3.87Å; T14-W29 HydrophobicContact CG2-CE3 3.33Å; T14-W29 HydrophobicContact CG2-CG 4.22Å; T14-W29 HydrophobicContact CG2-CZ3 4.01Å; T14-G32 WeakPolarHBondContact CB-O 3.17Å; T14-G32 PolarHBondContact OG1-O 2.71Å; T14-F33 VanDerWaalsContact OG1-C 3.26Å; T14-F33 VanDerWaalsContact OG1-CA 3.29Å; T14-F33 WeakPolarHBondContact OG1-CA 3.15Å; T14-K34 PolarHBondContact OG1-N 2.7Å; T14-Q35 PolarHBondContact N-O 3.21Å; T14-Q35 PolarHBondContact OG1-N 3.15Å; T14-Q35 PolarHBondContact OG1-O 3.29Å; T14-T37 PolarHBondContact N-OG1 2.94Å | ||
| 15 | P | 95.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | trans | -53.3 | 151 | 177 | -26.2 | 35.4 | 0 | 0 | 0 | 112.2 | S17 W29 F33 K34 A200 L203 | P15-S17 VanDerWaalsContact C-N 3.33Å; P15-W29 VanDerWaalsContact CD-CE2 3.42Å; P15-W29 HydrophobicContact CG-CH2 4.32Å; P15-W29 HydrophobicContact CG-CZ2 3.63Å; P15-F33 HydrophobicContact CB-CD1 4.13Å; P15-F33 HydrophobicContact CB-CE1 4.06Å; P15-F33 HydrophobicContact CG-CE1 4.28Å; P15-F33 WeakPolarHBondContact O-CA 3.26Å; P15-F33 WeakPolarHBondContact O-CB 3.3Å; P15-F33 WeakPolarHBondContact O-CD1 3.32Å; P15-F33 WeakPolarHBondContact O-CG 3.37Å; P15-K34 PolarHBondContact O-N 3.44Å; P15-A200 HydrophobicContact CG-CB 4.5Å; P15-L203 HydrophobicContact CB-CD1 4.44Å; P15-L203 HydrophobicContact CG-CB 4.21Å; P15-L203 HydrophobicContact CG-CD1 4.1Å | ||
| 16 | V | 94.1 | Very high | 97.1 | Very high | 65 Ų | 65 | 31.5 Ų | 31.5 | 39% | 0.394 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -74.3 | -34.5 | 172.4 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | K34 | V16-K34 HydrophobicContact CB-CG 4.16Å; V16-K34 HydrophobicContact CG1-CD 4.28Å; V16-K34 HydrophobicContact CG1-CG 4.01Å; V16-K34 HydrophobicContact CG2-CG 4.27Å; V16-K34 WeakPolarHBondContact O-CE 3.45Å |
| 17 | S | 95 | Very high | 97 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 35% | 0.35 | 21% | 0.209 | S | C | . | . | trans | -166.7 | 171.4 | 171.3 | 56.3 | 0 | 0 | 0 | 0 | 107.2 | P15 R196 | P15-S17 VanDerWaalsContact C-N 3.33Å; S17-R196 WeakPolarHBondContact OG-CD 3.15Å | ||
| 18 | T | 96.1 | Very high | 96.8 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | trans | -126.6 | -162.7 | 177 | -165.3 | 0 | 0 | 0 | 0 | 112.2 | D22 F33 R196 A200 | T18-D22 VanDerWaalsContact CB-OD2 3.22Å; T18-D22 WeakPolarHBondContact CB-OD2 3.39Å; T18-D22 HydrophobicContact CG2-CB 3.78Å; T18-D22 WeakPolarHBondContact CG2-OD2 3.45Å; T18-D22 WeakPolarHBondContact OG1-CB 3.45Å; T18-D22 VanDerWaalsContact OG1-CG 3.3Å; T18-D22 PolarHBondContact OG1-OD2 2.74Å; T18-F33 HydrophobicContact CG2-CZ 3.95Å; T18-R196 WeakPolarHBondContact O-CD 3.43Å; T18-A200 WeakPolarHBondContact OG1-CB 3.37Å | ||
| 19 | Y | 97 | Very high | 96.7 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | trans | -104.7 | 156.3 | 178.7 | 54.9 | -84.4 | 0 | 0 | 0 | 111.9 | N21 D22 Q25 T184 I197 A200 L201 | Y19-N21 VanDerWaalsContact C-N 3.34Å; Y19-N21 PolarHBondContact O-N 3.21Å; Y19-D22 HydrophobicContact CD1-CB 4.03Å; Y19-D22 HydrophobicContact CD2-CB 3.8Å; Y19-D22 HydrophobicContact CE1-CB 3.78Å; Y19-D22 VanDerWaalsContact CE2-CA 3.43Å; Y19-D22 HydrophobicContact CE2-CB 3.57Å; Y19-D22 HydrophobicContact CG-CB 4.03Å; Y19-D22 VanDerWaalsContact O-CB 3.27Å; Y19-D22 WeakPolarHBondContact O-CB 3.42Å; Y19-D22 PolarHBondContact O-N 3.13Å; Y19-Q25 PolarHBondContact O-NE2 3.31Å; Y19-T184 VanDerWaalsContact CD2-CB 3.48Å; Y19-T184 HydrophobicContact CD2-CG2 3.71Å; Y19-T184 HydrophobicContact CE2-CG2 3.89Å; Y19-T184 HydrophobicContact CG-CG2 4.12Å; Y19-I197 HydrophobicContact CD1-CB 4.22Å; Y19-I197 HydrophobicContact CD1-CG1 3.86Å; Y19-I197 HydrophobicContact CD1-CG2 4.2Å; Y19-I197 HydrophobicContact CE1-CG2 4.25Å; Y19-I197 HydrophobicContact CG-CG1 4.02Å; Y19-A200 HydrophobicContact CD1-CB 4.49Å; Y19-A200 HydrophobicContact CE1-CB 4.35Å; Y19-L201 HydrophobicContact CE1-CD2 4.34Å; Y19-L201 HydrophobicContact CE1-CG 4.39Å; Y19-L201 WeakPolarHBondContact OH-CD2 3.28Å | ||
| 20 | P | 97.8 | Very high | 96.4 | Very high | 83 Ų | 83 | 43.6 Ų | 43.6 | 54% | 0.539 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -40.3 | -170.9 | -30.7 | 37.9 | 0 | 0 | 0 | 115.7 | D22 T184 | P20-D22 VanDerWaalsContact C-N 3.33Å; P20-T184 WeakPolarHBondContact CD-O 3.15Å |
| 21 | N | 98.1 | Very high | 96.1 | Very high | 96 Ų | 96 | 46.6 Ų | 46.6 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 11.2 | -178.5 | -63.1 | -7.4 | 0 | 0 | 0 | 113.5 | Y19 P23 A183 T184 G185 | Y19-N21 VanDerWaalsContact C-N 3.34Å; Y19-N21 PolarHBondContact O-N 3.21Å; N21-P23 WeakPolarHBondContact O-CD 3.45Å; N21-A183 WeakPolarHBondContact CB-O 3.39Å; N21-A183 PolarHBondContact ND2-O 3.4Å; N21-A183 VanDerWaalsContact ND2-O 3.08Å; N21-T184 WeakPolarHBondContact CB-O 3.32Å; N21-T184 PolarHBondContact N-O 3.46Å; N21-G185 PolarHBondContact ND2-N 3.44Å |
| 22 | D | 97.9 | Very high | 96 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | trans | -68.1 | 124.6 | 175.3 | -176.2 | 8 | 0 | 0 | 0 | 109.7 | T18 Y19 P20 Y24 Q25 E204 | T18-D22 VanDerWaalsContact CB-OD2 3.22Å; T18-D22 WeakPolarHBondContact CB-OD2 3.39Å; T18-D22 HydrophobicContact CG2-CB 3.78Å; T18-D22 WeakPolarHBondContact CG2-OD2 3.45Å; T18-D22 WeakPolarHBondContact OG1-CB 3.45Å; T18-D22 VanDerWaalsContact OG1-CG 3.3Å; T18-D22 PolarHBondContact OG1-OD2 2.74Å; Y19-D22 HydrophobicContact CD1-CB 4.03Å; Y19-D22 HydrophobicContact CD2-CB 3.8Å; Y19-D22 HydrophobicContact CE1-CB 3.78Å; Y19-D22 VanDerWaalsContact CE2-CA 3.43Å; Y19-D22 HydrophobicContact CE2-CB 3.57Å; Y19-D22 HydrophobicContact CG-CB 4.03Å; Y19-D22 VanDerWaalsContact O-CB 3.27Å; Y19-D22 WeakPolarHBondContact O-CB 3.42Å; Y19-D22 PolarHBondContact O-N 3.13Å; P20-D22 VanDerWaalsContact C-N 3.33Å; D22-Y24 PolarHBondContact O-N 2.68Å; D22-Y24 PolarHBondContact OD1-N 2.78Å; D22-Q25 PolarHBondContact O-NE2 3.28Å; D22-E204 VanDerWaalsContact OD2-OE1 3.13Å | ||
| 23 | P | 97.1 | Very high | 96 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -64.7 | -17.7 | 173 | 27.4 | -36.5 | 0 | 0 | 0 | 113.4 | N21 P212 | N21-P23 WeakPolarHBondContact O-CD 3.45Å; P23-P212 HydrophobicContact CG-CG 3.94Å |
| 24 | Y | 97 | Very high | 96 | Very high | 48 Ų | 48 | 52 Ų | 52 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | trans | -106.7 | 71.5 | -175.9 | -53.2 | -60.9 | 0 | 0 | 0 | 112.4 | D22 A28 E204 F209 A210 | D22-Y24 PolarHBondContact O-N 2.68Å; D22-Y24 PolarHBondContact OD1-N 2.78Å; Y24-A28 HydrophobicContact CD1-CB 4.09Å; Y24-E204 HydrophobicContact CD2-CG 4.01Å; Y24-F209 HydrophobicContact CD1-CD1 4.29Å; Y24-F209 HydrophobicContact CD1-CD2 4.38Å; Y24-F209 HydrophobicContact CD1-CG 4.2Å; Y24-F209 HydrophobicContact CD2-CB 4.08Å; Y24-F209 HydrophobicContact CD2-CD2 4.38Å; Y24-F209 HydrophobicContact CD2-CG 4.33Å; Y24-F209 HydrophobicContact CE1-CB 4.26Å; Y24-F209 HydrophobicContact CE1-CD1 4.08Å; Y24-F209 HydrophobicContact CE1-CG 4.15Å; Y24-F209 HydrophobicContact CE2-CB 3.68Å; Y24-F209 HydrophobicContact CE2-CG 4.27Å; Y24-F209 HydrophobicContact CG-CD2 4.17Å; Y24-F209 HydrophobicContact CG-CG 4.29Å; Y24-A210 VanDerWaalsContact CE2-O 3.31Å; Y24-A210 WeakPolarHBondContact CE2-O 3.31Å; Y24-A210 PolarHBondContact OH-N 3.42Å; Y24-A210 PolarHBondContact OH-O 3.32Å | ||
| 25 | Q | 97.2 | Very high | 96 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 33% | 0.332 | 30% | 0.302 | S | S | . | . | trans | -70.8 | -174.8 | 172.8 | -59.1 | -61.3 | -39.9 | 0 | 0 | 111.4 | Y19 D22 D27 A28 W29 | Y19-Q25 PolarHBondContact O-NE2 3.31Å; D22-Q25 PolarHBondContact O-NE2 3.28Å; Q25-D27 WeakPolarHBondContact CB-OD1 3.29Å; Q25-D27 PolarHBondContact O-N 3.38Å; Q25-D27 VanDerWaalsContact O-N 3.16Å; Q25-A28 WeakPolarHBondContact O-CB 3.48Å; Q25-A28 PolarHBondContact O-N 2.88Å; Q25-W29 VanDerWaalsContact O-CD1 3.26Å | ||
| 26 | E | 96.6 | Very high | 96.1 | Very high | 103 Ų | 103 | 54.8 Ų | 54.8 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -57.2 | -32.8 | -172.9 | -174.4 | 158.1 | -153.3 | 0 | 0 | 113.7 | A28 W29 F33 | E26-A28 VanDerWaalsContact C-N 3.26Å; E26-A28 PolarHBondContact O-N 3.27Å; E26-W29 PolarHBondContact O-N 2.84Å; E26-W29 VanDerWaalsContact O-N 3.08Å; E26-F33 HydrophobicContact CB-CD1 4.46Å; E26-F33 HydrophobicContact CB-CD2 3.72Å; E26-F33 HydrophobicContact CB-CE1 4.43Å; E26-F33 HydrophobicContact CB-CE2 3.68Å; E26-F33 HydrophobicContact CB-CG 4.13Å; E26-F33 HydrophobicContact CB-CZ 4.05Å; E26-F33 HydrophobicContact CG-CB 4.33Å; E26-F33 HydrophobicContact CG-CD1 4.49Å; E26-F33 HydrophobicContact CG-CD2 3.96Å; E26-F33 HydrophobicContact CG-CE2 4.42Å; E26-F33 HydrophobicContact CG-CG 3.99Å; E26-F33 PolarHBondContact OE1-N 3.29Å |
| 27 | D | 96.1 | Very high | 96.2 | Very high | 145 Ų | 145 | 51.7 Ų | 51.7 | 78% | 0.775 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -65.5 | -24.1 | 177.5 | 63.6 | -36.2 | 0 | 0 | 0 | 113.8 | Q25 W29 | Q25-D27 WeakPolarHBondContact CB-OD1 3.29Å; Q25-D27 PolarHBondContact O-N 3.38Å; Q25-D27 VanDerWaalsContact O-N 3.16Å; D27-W29 PolarHBondContact O-N 3.36Å |
| 28 | A | 94.8 | Very high | 96.1 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 26% | 0.256 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -71.1 | -15.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y24 Q25 E26 F209 | Y24-A28 HydrophobicContact CD1-CB 4.09Å; Q25-A28 WeakPolarHBondContact O-CB 3.48Å; Q25-A28 PolarHBondContact O-N 2.88Å; E26-A28 VanDerWaalsContact C-N 3.26Å; E26-A28 PolarHBondContact O-N 3.27Å; A28-F209 WeakPolarHBondContact O-CZ 3.43Å |
| 29 | W | 94.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -104.8 | 117 | -177.1 | -61.8 | 90 | 0 | 0 | 0 | 110.5 | T14 P15 Q25 E26 D27 N31 G32 F33 T37 L203 E204 A207 F209 | T14-W29 HydrophobicContact CG2-CB 4.14Å; T14-W29 HydrophobicContact CG2-CD2 3.87Å; T14-W29 HydrophobicContact CG2-CE3 3.33Å; T14-W29 HydrophobicContact CG2-CG 4.22Å; T14-W29 HydrophobicContact CG2-CZ3 4.01Å; P15-W29 VanDerWaalsContact CD-CE2 3.42Å; P15-W29 HydrophobicContact CG-CH2 4.32Å; P15-W29 HydrophobicContact CG-CZ2 3.63Å; Q25-W29 VanDerWaalsContact O-CD1 3.26Å; E26-W29 PolarHBondContact O-N 2.84Å; E26-W29 VanDerWaalsContact O-N 3.08Å; D27-W29 PolarHBondContact O-N 3.36Å; W29-N31 PolarHBondContact O-N 2.9Å; W29-G32 WeakPolarHBondContact O-CA 3.46Å; W29-G32 PolarHBondContact O-N 2.71Å; W29-F33 AromaticContact CD1-CD1 3.81Å; W29-F33 AromaticContact CD1-CE1 3.37Å; W29-F33 HydrophobicContact CG-CD1 4.34Å; W29-F33 HydrophobicContact CG-CE1 4.28Å; W29-F33 AromaticContact NE1-CE1 3.53Å; W29-T37 HydrophobicContact CZ3-CG2 4.11Å; W29-L203 HydrophobicContact CH2-CB 4.26Å; W29-E204 HydrophobicContact CZ2-CG 3.92Å; W29-A207 HydrophobicContact CH2-CB 3.85Å; W29-A207 HydrophobicContact CZ3-CB 3.71Å; W29-F209 HydrophobicContact CD2-CE2 4.14Å; W29-F209 AromaticContact CE2-CE2 3.85Å; W29-F209 HydrophobicContact CE3-CE2 4.13Å; W29-F209 HydrophobicContact CH2-CD2 4.07Å; W29-F209 AromaticContact CH2-CE2 3.71Å; W29-F209 HydrophobicContact CH2-CE2 3.71Å; W29-F209 HydrophobicContact CZ2-CD2 4.02Å; W29-F209 AromaticContact CZ2-CE2 3.66Å; W29-F209 HydrophobicContact CZ2-CE2 3.66Å; W29-F209 AromaticContact CZ3-CE2 3.94Å; W29-F209 HydrophobicContact CZ3-CE2 3.94Å |
| 30 | P | 92.5 | Very high | 94.9 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.8 | -172.1 | -29.6 | 35.3 | 0 | 0 | 0 | 116.4 | K38 | P30-K38 HydrophobicContact CB-CB 4.26Å; P30-K38 HydrophobicContact CB-CD 4.08Å; P30-K38 HydrophobicContact CB-CG 4.44Å |
| 31 | N | 93.1 | Very high | 93.7 | Very high | 65 Ų | 65 | 57.5 Ų | 57.5 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 9.7 | 176 | -67.7 | -14.3 | 0 | 0 | 0 | 112.1 | W29 Q35 L36 | W29-N31 PolarHBondContact O-N 2.9Å; N31-Q35 HydrophobicContact CB-CB 3.77Å; N31-Q35 HydrophobicContact CB-CG 4.22Å; N31-Q35 WeakPolarHBondContact O-CG 3.28Å; N31-L36 PolarHBondContact ND2-O 2.73Å |
| 32 | G | 95.2 | Very high | 92.2 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | trans | 70 | -168.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T14 W29 | T14-G32 WeakPolarHBondContact CB-O 3.17Å; T14-G32 PolarHBondContact OG1-O 2.71Å; W29-G32 WeakPolarHBondContact O-CA 3.46Å; W29-G32 PolarHBondContact O-N 2.71Å | ||
| 33 | F | 97.1 | Very high | 90.1 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 10% | 0.096 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 158.2 | -179.5 | -75.5 | -27.1 | 0 | 0 | 0 | 112.6 | T14 P15 T18 E26 W29 Q35 | T14-F33 VanDerWaalsContact OG1-C 3.26Å; T14-F33 VanDerWaalsContact OG1-CA 3.29Å; T14-F33 WeakPolarHBondContact OG1-CA 3.15Å; P15-F33 HydrophobicContact CB-CD1 4.13Å; P15-F33 HydrophobicContact CB-CE1 4.06Å; P15-F33 HydrophobicContact CG-CE1 4.28Å; P15-F33 WeakPolarHBondContact O-CA 3.26Å; P15-F33 WeakPolarHBondContact O-CB 3.3Å; P15-F33 WeakPolarHBondContact O-CD1 3.32Å; P15-F33 WeakPolarHBondContact O-CG 3.37Å; T18-F33 HydrophobicContact CG2-CZ 3.95Å; E26-F33 HydrophobicContact CB-CD1 4.46Å; E26-F33 HydrophobicContact CB-CD2 3.72Å; E26-F33 HydrophobicContact CB-CE1 4.43Å; E26-F33 HydrophobicContact CB-CE2 3.68Å; E26-F33 HydrophobicContact CB-CG 4.13Å; E26-F33 HydrophobicContact CB-CZ 4.05Å; E26-F33 HydrophobicContact CG-CB 4.33Å; E26-F33 HydrophobicContact CG-CD1 4.49Å; E26-F33 HydrophobicContact CG-CD2 3.96Å; E26-F33 HydrophobicContact CG-CE2 4.42Å; E26-F33 HydrophobicContact CG-CG 3.99Å; E26-F33 PolarHBondContact OE1-N 3.29Å; W29-F33 AromaticContact CD1-CD1 3.81Å; W29-F33 AromaticContact CD1-CE1 3.37Å; W29-F33 HydrophobicContact CG-CD1 4.34Å; W29-F33 HydrophobicContact CG-CE1 4.28Å; W29-F33 AromaticContact NE1-CE1 3.53Å; F33-Q35 PolarHBondContact O-N 2.73Å |
| 34 | K | 96.3 | Very high | 88 | Confident | 104 Ų | 104 | 65 Ų | 65 | 45% | 0.452 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -6.1 | 177.1 | -52.2 | 163.6 | -169.1 | 169.9 | 0 | 115.9 | T14 P15 V16 | T14-K34 PolarHBondContact OG1-N 2.7Å; P15-K34 PolarHBondContact O-N 3.44Å; V16-K34 HydrophobicContact CB-CG 4.16Å; V16-K34 HydrophobicContact CG1-CD 4.28Å; V16-K34 HydrophobicContact CG1-CG 4.01Å; V16-K34 HydrophobicContact CG2-CG 4.27Å; V16-K34 WeakPolarHBondContact O-CE 3.45Å |
| 35 | Q | 97.4 | Very high | 85.7 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 24% | 0.243 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -86.1 | 164 | 179.4 | -58.6 | -50.1 | -33.7 | 0 | 0 | 112.4 | R13 T14 N31 F33 T37 D101 | R13-Q35 CarbonylContact C-O 3.45Å; R13-Q35 WeakPolarHBondContact CA-O 3.33Å; R13-Q35 WeakPolarHBondContact CB-O 3.49Å; T14-Q35 PolarHBondContact N-O 3.21Å; T14-Q35 PolarHBondContact OG1-N 3.15Å; T14-Q35 PolarHBondContact OG1-O 3.29Å; N31-Q35 HydrophobicContact CB-CB 3.77Å; N31-Q35 HydrophobicContact CB-CG 4.22Å; N31-Q35 WeakPolarHBondContact O-CG 3.28Å; F33-Q35 PolarHBondContact O-N 2.73Å; Q35-T37 PolarHBondContact O-N 3.45Å; Q35-D101 PolarHBondContact NE2-OD2 2.75Å; Q35-D101 VanDerWaalsContact OE1-CB 3.29Å |
| 36 | L | 97.5 | Very high | 83.3 | Confident | 8 Ų | 8 | 76.2 Ų | 76.2 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -61.3 | 133.7 | 172.5 | -64.4 | -179.5 | 0 | 0 | 0 | 110.3 | E12 N31 K38 T63 C66 R102 A105 | E12-L36 WeakPolarHBondContact O-CA 3.5Å; N31-L36 PolarHBondContact ND2-O 2.73Å; L36-K38 PolarHBondContact O-N 2.76Å; L36-T63 HydrophobicContact CB-CG2 3.43Å; L36-T63 VanDerWaalsContact CB-CG2 3.43Å; L36-T63 HydrophobicContact CD1-CG2 4.23Å; L36-T63 HydrophobicContact CG-CG2 4.49Å; L36-C66 HydrophobicContact CD1-CB 4.17Å; L36-R102 HydrophobicContact CD2-CB 3.98Å; L36-R102 HydrophobicContact CG-CB 4.39Å; L36-A105 HydrophobicContact CD1-CB 3.77Å; L36-A105 HydrophobicContact CG-CB 4.42Å |
| 37 | T | 95.6 | Very high | 81.2 | Confident | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 125.9 | -172.9 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | E12 R13 T14 W29 Q35 V39 T63 K64 | E12-T37 PolarHBondContact O-N 3.09Å; R13-T37 WeakPolarHBondContact CA-OG1 3.35Å; R13-T37 PolarHBondContact N-OG1 3.1Å; R13-T37 PolarHBondContact O-OG1 3.33Å; T14-T37 PolarHBondContact N-OG1 2.94Å; W29-T37 HydrophobicContact CZ3-CG2 4.11Å; Q35-T37 PolarHBondContact O-N 3.45Å; T37-V39 HydrophobicContact CG2-CG1 3.86Å; T37-T63 CarbonylContact O-C 3.58Å; T37-T63 WeakPolarHBondContact O-CA 3.4Å; T37-K64 PolarHBondContact O-N 2.66Å |
| 38 | K | 92.4 | Very high | 79.3 | Confident | 83 Ų | 83 | 76.9 Ų | 76.9 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.4 | 172.1 | -168.9 | 169.9 | -175.5 | 179.5 | 0 | 108.6 | P30 L36 T61 I62 | P30-K38 HydrophobicContact CB-CB 4.26Å; P30-K38 HydrophobicContact CB-CD 4.08Å; P30-K38 HydrophobicContact CB-CG 4.44Å; L36-K38 PolarHBondContact O-N 2.76Å; K38-T61 HydrophobicContact CD-CG2 3.85Å; K38-T61 HydrophobicContact CG-CG2 3.35Å; K38-I62 CarbonylContact C-O 3.56Å; K38-I62 WeakPolarHBondContact CA-O 3Å |
| 39 | V | 86.9 | Confident | 77.6 | Confident | 20 Ų | 20 | 81 Ų | 81 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.3 | 179.3 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | T37 L41 T61 I62 K64 | T37-V39 HydrophobicContact CG2-CG1 3.86Å; V39-L41 HydrophobicContact CG2-CD2 4.35Å; V39-L41 HydrophobicContact CG2-CG 4.42Å; V39-T61 WeakPolarHBondContact O-CA 3.36Å; V39-I62 HydrophobicContact CG2-CD1 4.13Å; V39-I62 HydrophobicContact CG2-CG1 3.56Å; V39-I62 PolarHBondContact N-O 3.08Å; V39-I62 PolarHBondContact O-N 3.13Å; V39-K64 HydrophobicContact CG2-CB 4.06Å |
| 40 | T | 82.1 | Confident | 75.8 | Confident | 81 Ų | 81 | 85.6 Ų | 85.6 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.9 | 173.2 | -53.8 | 0 | 0 | 0 | 0 | 108.3 | F59 | T40-F59 HydrophobicContact CG2-CB 3.64Å; T40-F59 HydrophobicContact CG2-CD1 3.77Å; T40-F59 HydrophobicContact CG2-CG 4.08Å |
| 41 | L | 71.8 | Confident | 73.9 | Confident | 87 Ų | 87 | 82.4 Ų | 82.4 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138.8 | 177.8 | -62.8 | 176.7 | 0 | 0 | 0 | 110.1 | V39 F60 I62 | V39-L41 HydrophobicContact CG2-CD2 4.35Å; V39-L41 HydrophobicContact CG2-CG 4.42Å; L41-F60 PolarHBondContact N-O 2.87Å; L41-F60 PolarHBondContact O-N 2.85Å; L41-F60 VanDerWaalsContact O-N 3.1Å; L41-I62 HydrophobicContact CD1-CD1 3.67Å; L41-I62 HydrophobicContact CD1-CG1 4.02Å; L41-I62 HydrophobicContact CG-CD1 4.49Å; L41-I62 HydrophobicContact CG-CG1 4.42Å |
| 42 | L | 66.2 | Low | 72.1 | Confident | 98 Ų | 98 | 83.1 Ų | 83.1 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 124.8 | 165 | -80.2 | 160.3 | 0 | 0 | 0 | 108.9 | F44 F59 | L42-F44 HydrophobicContact CB-CD2 4.22Å; L42-F44 HydrophobicContact CB-CE2 3.95Å; L42-F44 HydrophobicContact CD1-CE2 4.34Å; L42-F44 HydrophobicContact CD1-CZ 4.47Å; L42-F44 PolarHBondContact O-N 3.43Å; L42-F59 HydrophobicContact CD2-CD1 3.77Å; L42-F59 HydrophobicContact CD2-CE1 3.15Å; L42-F59 HydrophobicContact CD2-CZ 3.59Å; L42-F59 HydrophobicContact CG-CD1 4.1Å; L42-F59 HydrophobicContact CG-CE1 3.65Å |
| 43 | L | 54.8 | Low | 70.4 | Confident | 93 Ų | 93 | 90.2 Ų | 90.2 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | trans | -71.6 | 95.9 | 169 | -80.4 | 172.2 | 0 | 0 | 0 | 109.8 | R45 D58 | L43-R45 PolarHBondContact O-N 3.26Å; L43-D58 WeakPolarHBondContact CB-O 3.48Å; L43-D58 HydrophobicContact CD1-CB 3.65Å; L43-D58 WeakPolarHBondContact CD1-O 3.36Å; L43-D58 WeakPolarHBondContact CG-O 3.48Å | ||
| 44 | F | 53.4 | Low | 68.5 | Low | 147 Ų | 147 | 94.4 Ų | 94.4 | 65% | 0.645 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 15.7 | 165.3 | -76.7 | -75.7 | 0 | 0 | 0 | 113 | L42 F46 F48 | L42-F44 HydrophobicContact CB-CD2 4.22Å; L42-F44 HydrophobicContact CB-CE2 3.95Å; L42-F44 HydrophobicContact CD1-CE2 4.34Å; L42-F44 HydrophobicContact CD1-CZ 4.47Å; L42-F44 PolarHBondContact O-N 3.43Å; F44-F46 PolarHBondContact O-N 2.98Å; F44-F48 HydrophobicContact CD1-CD2 4.31Å; F44-F48 AromaticContact CE1-CD2 3.85Å; F44-F48 HydrophobicContact CE1-CD2 3.85Å; F44-F48 HydrophobicContact CE1-CE2 4.14Å |
| 45 | R | 49.1 | Very low | 66.4 | Low | 223 Ų | 223 | 92.4 Ų | 92.4 | 84% | 0.842 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -2.3 | -175 | -110.3 | -170.4 | -178.4 | -170.5 | 1.5 | 114.9 | L43 | L43-R45 PolarHBondContact O-N 3.26Š|
| 46 | F | 45.7 | Very low | 64.2 | Low | 131 Ų | 131 | 93 Ų | 93 | 58% | 0.575 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -123 | 148 | 167.4 | -70.2 | -78.9 | 0 | 0 | 0 | 109.6 | F44 F48 F50 A51 | F44-F46 PolarHBondContact O-N 2.98Å; F46-F48 PolarHBondContact O-N 3.36Å; F46-F48 VanDerWaalsContact O-N 3.11Å; F46-F50 HydrophobicContact CB-CD1 4.43Å; F46-F50 HydrophobicContact CD1-CD1 4.16Å; F46-F50 HydrophobicContact CD1-CE1 4.45Å; F46-A51 HydrophobicContact CB-CB 4.31Å |
| 47 | N | 53.7 | Low | 61.9 | Low | 132 Ų | 132 | 98.1 Ų | 98.1 | 71% | 0.706 | 50% | 0.497 | S | S | * | . | trans | -39.6 | 122.5 | 166.8 | -126.1 | -24 | 0 | 0 | 0 | 108 | D49 F50 A51 | N47-D49 PolarHBondContact O-N 2.89Å; N47-D49 VanDerWaalsContact O-N 3.08Å; N47-F50 HydrophobicContact CB-CB 4.02Å; N47-F50 WeakPolarHBondContact O-CA 3.39Å; N47-F50 WeakPolarHBondContact O-CB 3.47Å; N47-F50 PolarHBondContact O-N 3.17Å; N47-A51 PolarHBondContact O-N 3.32Å; N47-A51 VanDerWaalsContact O-N 3.1Å | ||
| 48 | F | 55.4 | Low | 60 | Low | 130 Ų | 130 | 102.8 Ų | 102.8 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -53.2 | -37.3 | -171.7 | -169.3 | -97.2 | 0 | 0 | 0 | 111.5 | F44 F46 F50 C52 | F44-F48 HydrophobicContact CD1-CD2 4.31Å; F44-F48 AromaticContact CE1-CD2 3.85Å; F44-F48 HydrophobicContact CE1-CD2 3.85Å; F44-F48 HydrophobicContact CE1-CE2 4.14Å; F46-F48 PolarHBondContact O-N 3.36Å; F46-F48 VanDerWaalsContact O-N 3.11Å; F48-F50 PolarHBondContact O-N 2.74Å; F48-C52 WeakPolarHBondContact O-CB 3.46Å; F48-C52 PolarHBondContact O-N 3.2Å; F48-C52 VanDerWaalsContact O-N 3.07Å |
| 49 | D | 58.4 | Low | 58.7 | Low | 116 Ų | 116 | 104.3 Ų | 104.3 | 62% | 0.62 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.3 | -37 | 174.8 | -66.6 | -20.1 | 0 | 0 | 0 | 113.6 | N47 Q53 | N47-D49 PolarHBondContact O-N 2.89Å; N47-D49 VanDerWaalsContact O-N 3.08Å; D49-Q53 WeakPolarHBondContact O-CB 3.15Å; D49-Q53 WeakPolarHBondContact O-CG 3.41Å; D49-Q53 PolarHBondContact O-N 2.9Å |
| 50 | F | 57.4 | Low | 58.2 | Low | 104 Ų | 104 | 109.7 Ų | 109.7 | 46% | 0.456 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.2 | -41.9 | -179.6 | -170.5 | -101.7 | 0 | 0 | 0 | 111.7 | F46 N47 F48 Q53 M54 | F46-F50 HydrophobicContact CB-CD1 4.43Å; F46-F50 HydrophobicContact CD1-CD1 4.16Å; F46-F50 HydrophobicContact CD1-CE1 4.45Å; N47-F50 HydrophobicContact CB-CB 4.02Å; N47-F50 WeakPolarHBondContact O-CA 3.39Å; N47-F50 WeakPolarHBondContact O-CB 3.47Å; N47-F50 PolarHBondContact O-N 3.17Å; F48-F50 PolarHBondContact O-N 2.74Å; F50-Q53 PolarHBondContact O-N 3.17Å; F50-M54 HydrophobicContact CD1-SD 4.02Å; F50-M54 HydrophobicContact CE1-CG 4.37Å; F50-M54 HydrophobicContact CE1-SD 3.29Å; F50-M54 WeakPolarHBondContact CE1-SD 3.38Å; F50-M54 HydrophobicContact CE2-SD 4.28Å; F50-M54 HydrophobicContact CZ-CG 4.43Å; F50-M54 HydrophobicContact CZ-SD 3.45Å; F50-M54 WeakPolarHBondContact CZ-SD 3.44Å; F50-M54 WeakPolarHBondContact O-CG 3.02Å; F50-M54 PolarHBondContact O-N 2.93Å; F50-M54 VanDerWaalsContact O-N 3.11Å |
| 51 | A | 52.6 | Low | 58.1 | Low | 19 Ų | 19 | 108.5 Ų | 108.5 | 16% | 0.157 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F46 N47 M54 G55 I56 | F46-A51 HydrophobicContact CB-CB 4.31Å; N47-A51 PolarHBondContact O-N 3.32Å; N47-A51 VanDerWaalsContact O-N 3.1Å; A51-M54 PolarHBondContact O-N 2.87Å; A51-G55 PolarHBondContact O-N 2.81Å; A51-G55 VanDerWaalsContact O-N 3.16Å; A51-I56 PolarHBondContact O-N 2.88Å; A51-I56 VanDerWaalsContact O-N 3.07Å |
| 52 | C | 55.2 | Low | 58.9 | Low | 80 Ų | 80 | 106 Ų | 106 | 54% | 0.541 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 173.7 | -95.5 | 0 | 0 | 0 | 0 | 112.6 | F48 M54 G55 | F48-C52 WeakPolarHBondContact O-CB 3.46Å; F48-C52 PolarHBondContact O-N 3.2Å; F48-C52 VanDerWaalsContact O-N 3.07Å; C52-M54 VanDerWaalsContact C-N 3.26Å; C52-M54 PolarHBondContact O-N 3.03Å; C52-G55 PolarHBondContact O-N 3.2Å |
| 53 | Q | 60.1 | Low | 60.2 | Low | 163 Ų | 163 | 103.7 Ų | 103.7 | 76% | 0.762 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63 | -30.7 | 176.6 | -86.7 | 178.8 | -1 | 0 | 0 | 113.3 | D49 F50 | D49-Q53 WeakPolarHBondContact O-CB 3.15Å; D49-Q53 WeakPolarHBondContact O-CG 3.41Å; D49-Q53 PolarHBondContact O-N 2.9Å; F50-Q53 PolarHBondContact O-N 3.17Å |
| 54 | M | 55.9 | Low | 62.2 | Low | 110 Ų | 110 | 101.7 Ų | 101.7 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -3.1 | 178.1 | -65.6 | -169.9 | 73.7 | 0 | 0 | 114.1 | F50 A51 C52 I56 | F50-M54 HydrophobicContact CD1-SD 4.02Å; F50-M54 HydrophobicContact CE1-CG 4.37Å; F50-M54 HydrophobicContact CE1-SD 3.29Å; F50-M54 WeakPolarHBondContact CE1-SD 3.38Å; F50-M54 HydrophobicContact CE2-SD 4.28Å; F50-M54 HydrophobicContact CZ-CG 4.43Å; F50-M54 HydrophobicContact CZ-SD 3.45Å; F50-M54 WeakPolarHBondContact CZ-SD 3.44Å; F50-M54 WeakPolarHBondContact O-CG 3.02Å; F50-M54 PolarHBondContact O-N 2.93Å; F50-M54 VanDerWaalsContact O-N 3.11Å; A51-M54 PolarHBondContact O-N 2.87Å; C52-M54 VanDerWaalsContact C-N 3.26Å; C52-M54 PolarHBondContact O-N 3.03Å; M54-I56 HydrophobicContact CB-CD1 3.77Å; M54-I56 HydrophobicContact CB-CG1 3.78Å; M54-I56 HydrophobicContact CE-CD1 4.09Å; M54-I56 PolarHBondContact O-N 3.37Å; M54-I56 HydrophobicContact SD-CD1 4.14Å |
| 55 | G | 52.3 | Low | 64.2 | Low | 62 Ų | 62 | 94.7 Ų | 94.7 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 18.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | A51 C52 N57 | A51-G55 PolarHBondContact O-N 2.81Å; A51-G55 VanDerWaalsContact O-N 3.16Å; C52-G55 PolarHBondContact O-N 3.2Å; G55-N57 PolarHBondContact O-N 2.79Å; G55-N57 VanDerWaalsContact O-N 3.16Å |
| 56 | I | 52.4 | Low | 66.5 | Low | 64 Ų | 64 | 85.8 Ų | 85.8 | 33% | 0.328 | 45% | 0.449 | S | S | . | . | trans | -88.3 | 84.3 | -177.1 | -57.8 | 176.4 | 0 | 0 | 0 | 108.4 | A51 M54 D58 | A51-I56 PolarHBondContact O-N 2.88Å; A51-I56 VanDerWaalsContact O-N 3.07Å; M54-I56 HydrophobicContact CB-CD1 3.77Å; M54-I56 HydrophobicContact CB-CG1 3.78Å; M54-I56 HydrophobicContact CE-CD1 4.09Å; M54-I56 PolarHBondContact O-N 3.37Å; M54-I56 HydrophobicContact SD-CD1 4.14Å; I56-D58 HydrophobicContact CG2-CB 3.82Å; I56-D58 WeakPolarHBondContact CG2-OD2 3.42Å; I56-D58 PolarHBondContact O-N 2.94Å | ||
| 57 | N | 49 | Very low | 69 | Low | 116 Ų | 116 | 83 Ų | 83 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | trans | -85 | 63.4 | 161.5 | -74.8 | -32.1 | 0 | 0 | 0 | 108.9 | G55 F59 | G55-N57 PolarHBondContact O-N 2.79Å; G55-N57 VanDerWaalsContact O-N 3.16Å; N57-F59 HydrophobicContact CB-CD2 4.11Å; N57-F59 HydrophobicContact CB-CE2 3.87Å; N57-F59 WeakPolarHBondContact O-CD2 3.41Å; N57-F59 PolarHBondContact O-N 3.46Å | ||
| 58 | D | 56.2 | Low | 71.1 | Confident | 99 Ų | 99 | 78.9 Ų | 78.9 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | trans | -76.8 | 85.7 | 177 | -75.1 | -8.6 | 0 | 0 | 0 | 108.7 | L43 I56 F60 | L43-D58 WeakPolarHBondContact CB-O 3.48Å; L43-D58 HydrophobicContact CD1-CB 3.65Å; L43-D58 WeakPolarHBondContact CD1-O 3.36Å; L43-D58 WeakPolarHBondContact CG-O 3.48Å; I56-D58 HydrophobicContact CG2-CB 3.82Å; I56-D58 WeakPolarHBondContact CG2-OD2 3.42Å; I56-D58 PolarHBondContact O-N 2.94Å; D58-F60 PolarHBondContact O-N 3.49Å | ||
| 59 | F | 64.2 | Low | 73.1 | Confident | 116 Ų | 116 | 72.7 Ų | 72.7 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 119.4 | 163.4 | -69.9 | -83.8 | 0 | 0 | 0 | 107.9 | T40 L42 N57 | T40-F59 HydrophobicContact CG2-CB 3.64Å; T40-F59 HydrophobicContact CG2-CD1 3.77Å; T40-F59 HydrophobicContact CG2-CG 4.08Å; L42-F59 HydrophobicContact CD2-CD1 3.77Å; L42-F59 HydrophobicContact CD2-CE1 3.15Å; L42-F59 HydrophobicContact CD2-CZ 3.59Å; L42-F59 HydrophobicContact CG-CD1 4.1Å; L42-F59 HydrophobicContact CG-CE1 3.65Å; N57-F59 HydrophobicContact CB-CD2 4.11Å; N57-F59 HydrophobicContact CB-CE2 3.87Å; N57-F59 WeakPolarHBondContact O-CD2 3.41Å; N57-F59 PolarHBondContact O-N 3.46Å |
| 60 | F | 75.7 | Confident | 75 | Confident | 132 Ų | 132 | 71 Ų | 71 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 133.4 | 171.1 | -171.5 | -111.2 | 0 | 0 | 0 | 110 | L41 D58 I62 | L41-F60 PolarHBondContact N-O 2.87Å; L41-F60 PolarHBondContact O-N 2.85Å; L41-F60 VanDerWaalsContact O-N 3.1Å; D58-F60 PolarHBondContact O-N 3.49Å; F60-I62 HydrophobicContact CD1-CG2 3.49Å; F60-I62 VanDerWaalsContact CD1-CG2 3.49Å; F60-I62 HydrophobicContact CE1-CG2 3.37Å |
| 61 | T | 81.1 | Confident | 77 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 34% | 0.344 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.8 | -179.9 | -53.2 | 0 | 0 | 0 | 0 | 110.1 | K38 V39 | K38-T61 HydrophobicContact CD-CG2 3.85Å; K38-T61 HydrophobicContact CG-CG2 3.35Å; V39-T61 WeakPolarHBondContact O-CA 3.36Å |
| 62 | I | 88.6 | Confident | 79.2 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.179 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148.8 | 175.4 | 62.9 | 167.9 | 0 | 0 | 0 | 111 | K38 V39 L41 F60 K64 | K38-I62 CarbonylContact C-O 3.56Å; K38-I62 WeakPolarHBondContact CA-O 3Å; V39-I62 HydrophobicContact CG2-CD1 4.13Å; V39-I62 HydrophobicContact CG2-CG1 3.56Å; V39-I62 PolarHBondContact N-O 3.08Å; V39-I62 PolarHBondContact O-N 3.13Å; L41-I62 HydrophobicContact CD1-CD1 3.67Å; L41-I62 HydrophobicContact CD1-CG1 4.02Å; L41-I62 HydrophobicContact CG-CD1 4.49Å; L41-I62 HydrophobicContact CG-CG1 4.42Å; F60-I62 HydrophobicContact CD1-CG2 3.49Å; F60-I62 VanDerWaalsContact CD1-CG2 3.49Å; F60-I62 HydrophobicContact CE1-CG2 3.37Å; I62-K64 PolarHBondContact O-N 2.84Å |
| 63 | T | 94 | Very high | 81.2 | Confident | 49 Ų | 49 | 65 Ų | 65 | 30% | 0.301 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 94.2 | 161.2 | -57.8 | 0 | 0 | 0 | 0 | 107.7 | L36 T37 G65 C66 Q67 | L36-T63 HydrophobicContact CB-CG2 3.43Å; L36-T63 VanDerWaalsContact CB-CG2 3.43Å; L36-T63 HydrophobicContact CD1-CG2 4.23Å; L36-T63 HydrophobicContact CG-CG2 4.49Å; T37-T63 CarbonylContact O-C 3.58Å; T37-T63 WeakPolarHBondContact O-CA 3.4Å; T63-G65 VanDerWaalsContact C-N 3.3Å; T63-G65 PolarHBondContact O-N 2.76Å; T63-C66 HydrophobicContact CG2-CB 3.68Å; T63-C66 WeakPolarHBondContact O-CA 3.25Å; T63-C66 VanDerWaalsContact O-CB 3.32Å; T63-C66 WeakPolarHBondContact O-CB 3.48Å; T63-C66 PolarHBondContact O-N 3.47Å; T63-Q67 PolarHBondContact O-N 2.85Å |
| 64 | K | 94.8 | Very high | 83.1 | Confident | 52 Ų | 52 | 63.3 Ų | 63.3 | 23% | 0.226 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -52.3 | -44.9 | -174.7 | -177.4 | 176.2 | 173.9 | -164.7 | 0 | 112.7 | E12 T37 V39 I62 C66 Q67 Q68 N206 | E12-K64 VanDerWaalsContact OE1-CD 3.31Å; E12-K64 WeakPolarHBondContact OE1-CD 3.39Å; E12-K64 VanDerWaalsContact OE1-CE 3.29Å; E12-K64 WeakPolarHBondContact OE1-CE 3.47Å; E12-K64 IonicContact OE1-NZ 3.93Å; E12-K64 PolarHBondContact OE1-NZ 3.16Å; E12-K64 IonicContact OE2-NZ 3.88Å; E12-K64 PolarHBondContact OE2-NZ 2.82Å; T37-K64 PolarHBondContact O-N 2.66Å; V39-K64 HydrophobicContact CG2-CB 4.06Å; I62-K64 PolarHBondContact O-N 2.84Å; K64-C66 VanDerWaalsContact C-N 3.31Å; K64-C66 PolarHBondContact O-N 3.24Å; K64-Q67 WeakPolarHBondContact O-CB 3.3Å; K64-Q67 PolarHBondContact O-N 3.2Å; K64-Q68 WeakPolarHBondContact O-CG 3.44Å; K64-Q68 PolarHBondContact O-N 2.86Å; K64-N206 PolarHBondContact NZ-O 3.13Å |
| 65 | G | 96.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.1 | -34.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G11 E12 T63 Q69 | G11-G65 WeakPolarHBondContact CA-O 3.46Å; E12-G65 WeakPolarHBondContact O-CA 3.41Å; T63-G65 VanDerWaalsContact C-N 3.3Å; T63-G65 PolarHBondContact O-N 2.76Å; G65-Q69 WeakPolarHBondContact O-CG 3.44Å; G65-Q69 PolarHBondContact O-N 3.26Å |
| 66 | C | 97.8 | Very high | 87.2 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.5 | -42.5 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | L36 T63 K64 Q68 Q69 Y70 C109 | L36-C66 HydrophobicContact CD1-CB 4.17Å; T63-C66 HydrophobicContact CG2-CB 3.68Å; T63-C66 WeakPolarHBondContact O-CA 3.25Å; T63-C66 VanDerWaalsContact O-CB 3.32Å; T63-C66 WeakPolarHBondContact O-CB 3.48Å; T63-C66 PolarHBondContact O-N 3.47Å; K64-C66 VanDerWaalsContact C-N 3.31Å; K64-C66 PolarHBondContact O-N 3.24Å; C66-Q68 PolarHBondContact O-N 2.97Å; C66-Q69 PolarHBondContact O-N 2.7Å; C66-Q69 VanDerWaalsContact O-N 3.17Å; C66-Y70 WeakPolarHBondContact O-CB 3.33Å; C66-Y70 PolarHBondContact O-N 3.28Å; C66-C109 VanDerWaalsContact CA-SG 3.57Å; C66-C109 HydrophobicContact CB-CB 3.93Å; C66-C109 WeakPolarHBondContact CB-SG 3.38Å; C66-C109 WeakPolarHBondContact O-CB 3.47Å; C66-C109 WeakPolarHBondContact SG-CB 2.93Å; C66-C109 CovalentContact SG-SG 2.03Å; C66-C109 PolarHBondContact SG-SG 2.99Å |
| 67 | Q | 96.9 | Very high | 89.3 | Confident | 72 Ų | 72 | 56 Ų | 56 | 34% | 0.336 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 176.5 | -175.6 | 61.2 | 30.9 | 0 | 0 | 111.9 | T63 K64 Q69 Y70 E71 | T63-Q67 PolarHBondContact O-N 2.85Å; K64-Q67 WeakPolarHBondContact O-CB 3.3Å; K64-Q67 PolarHBondContact O-N 3.2Å; Q67-Q69 VanDerWaalsContact C-N 3.3Å; Q67-Q69 PolarHBondContact O-N 3.34Å; Q67-Y70 PolarHBondContact O-N 3.15Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.36Å; Q67-E71 PolarHBondContact NE2-OE1 2.82Å; Q67-E71 WeakPolarHBondContact O-CG 3.41Å; Q67-E71 PolarHBondContact O-N 3.49Å |
| 68 | Q | 97.9 | Very high | 91.6 | Very high | 46 Ų | 46 | 56.8 Ų | 56.8 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 175.5 | -71.9 | 173 | -33.1 | 0 | 0 | 112.3 | K64 C66 L72 A309 | K64-Q68 WeakPolarHBondContact O-CG 3.44Å; K64-Q68 PolarHBondContact O-N 2.86Å; C66-Q68 PolarHBondContact O-N 2.97Å; Q68-L72 WeakPolarHBondContact O-CB 3.39Å; Q68-L72 PolarHBondContact O-N 2.93Å; Q68-A309 HydrophobicContact CB-CB 3.9Å |
| 69 | Q | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.2 | -39 | 178.9 | -70.2 | -66.9 | -28 | 0 | 0 | 112.2 | R9 H10 G11 G65 C66 Q67 E71 L72 G73 C109 H110 | R9-Q69 PolarHBondContact O-NE2 3.02Å; H10-Q69 VanDerWaalsContact C-NE2 3.32Å; G11-Q69 VanDerWaalsContact N-NE2 3.19Å; G65-Q69 WeakPolarHBondContact O-CG 3.44Å; G65-Q69 PolarHBondContact O-N 3.26Å; C66-Q69 PolarHBondContact O-N 2.7Å; C66-Q69 VanDerWaalsContact O-N 3.17Å; Q67-Q69 VanDerWaalsContact C-N 3.3Å; Q67-Q69 PolarHBondContact O-N 3.34Å; Q69-E71 VanDerWaalsContact C-N 3.34Å; Q69-E71 PolarHBondContact O-N 2.88Å; Q69-L72 WeakPolarHBondContact O-CB 3.43Å; Q69-L72 PolarHBondContact O-N 2.8Å; Q69-G73 PolarHBondContact O-N 2.94Å; Q69-C109 HydrophobicContact CB-CB 3.99Å; Q69-H110 HydrophobicContact CB-CB 4.17Å; Q69-H110 WeakPolarHBondContact O-CA 3.28Å; Q69-H110 PolarHBondContact OE1-ND1 2.81Å |
| 70 | Y | 98.3 | Very high | 95 | Very high | 81 Ų | 81 | 50.2 Ų | 50.2 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 172.8 | 173.4 | -102.3 | 0 | 0 | 0 | 111.8 | C66 Q67 G73 R74 C109 S112 G113 | C66-Y70 WeakPolarHBondContact O-CB 3.33Å; C66-Y70 PolarHBondContact O-N 3.28Å; Q67-Y70 PolarHBondContact O-N 3.15Å; Y70-G73 PolarHBondContact O-N 3.35Å; Y70-R74 HydrophobicContact CE1-CG 4.21Å; Y70-R74 HydrophobicContact CE2-CG 4.45Å; Y70-R74 PolarHBondContact O-N 3.3Å; Y70-C109 VanDerWaalsContact CA-O 3.3Å; Y70-C109 WeakPolarHBondContact CA-O 3.39Å; Y70-S112 WeakPolarHBondContact CD2-OG 3.41Å; Y70-G113 VanDerWaalsContact CD2-CA 3.41Å; Y70-G113 VanDerWaalsContact CE2-CA 3.49Å |
| 71 | E | 98.5 | Very high | 96 | Very high | 78 Ų | 78 | 49.2 Ų | 49.2 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.3 | -72.8 | 168.7 | -175.2 | 0 | 0 | 112.1 | Q67 Q69 R74 Y75 V334 | Q67-E71 WeakPolarHBondContact CG-OE1 3.36Å; Q67-E71 PolarHBondContact NE2-OE1 2.82Å; Q67-E71 WeakPolarHBondContact O-CG 3.41Å; Q67-E71 PolarHBondContact O-N 3.49Å; Q69-E71 VanDerWaalsContact C-N 3.34Å; Q69-E71 PolarHBondContact O-N 2.88Å; E71-R74 PolarHBondContact O-N 2.93Å; E71-Y75 PolarHBondContact O-N 3.14Å; E71-V334 HydrophobicContact CB-CG2 4.31Å |
| 72 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 172.2 | -178.8 | 62 | 0 | 0 | 0 | 111.1 | Y8 Q68 Q69 R74 Y75 L76 H110 A309 C311 L331 V334 | Y8-L72 HydrophobicContact CG-CD2 4.24Å; Q68-L72 WeakPolarHBondContact O-CB 3.39Å; Q68-L72 PolarHBondContact O-N 2.93Å; Q69-L72 WeakPolarHBondContact O-CB 3.43Å; Q69-L72 PolarHBondContact O-N 2.8Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 3.12Å; L72-Y75 WeakPolarHBondContact O-CB 3.48Å; L72-Y75 PolarHBondContact O-N 3.01Å; L72-Y75 VanDerWaalsContact O-N 3.12Å; L72-L76 HydrophobicContact CD1-CD1 3.59Å; L72-L76 HydrophobicContact CG-CD1 3.84Å; L72-L76 WeakPolarHBondContact O-CD1 2.91Å; L72-L76 PolarHBondContact O-N 2.87Å; L72-H110 VanDerWaalsContact CD2-CE1 3.42Å; L72-H110 WeakPolarHBondContact CD2-CE1 3.39Å; L72-H110 VanDerWaalsContact CG-CE1 3.49Å; L72-H110 WeakPolarHBondContact CG-CE1 3.38Å; L72-A309 HydrophobicContact CD2-CB 4.36Å; L72-A309 WeakPolarHBondContact CD2-O 3.36Å; L72-C311 HydrophobicContact CD1-CB 4.08Å; L72-C311 HydrophobicContact CD2-CB 4.12Å; L72-L331 HydrophobicContact CD1-CD2 3.77Å; L72-V334 HydrophobicContact CB-CG1 4.36Å; L72-V334 HydrophobicContact CD1-CG1 4.22Å |
| 73 | G | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.6 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q69 Y70 L76 R77 H110 G113 L114 | Q69-G73 PolarHBondContact O-N 2.94Å; Y70-G73 PolarHBondContact O-N 3.35Å; G73-L76 WeakPolarHBondContact O-CB 3.48Å; G73-L76 PolarHBondContact O-N 3.18Å; G73-R77 PolarHBondContact O-N 3.47Å; G73-H110 WeakPolarHBondContact CA-O 3.44Å; G73-G113 VanDerWaalsContact C-C 3.47Å; G73-L114 WeakPolarHBondContact O-CA 3.37Å |
| 74 | R | 98.2 | Very high | 97 | Very high | 126 Ų | 126 | 48 Ų | 48 | 48% | 0.475 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 174 | -79.1 | -164.8 | 59.4 | -168 | -7.6 | 113 | Y70 E71 L72 L76 R77 Q78 | Y70-R74 HydrophobicContact CE1-CG 4.21Å; Y70-R74 HydrophobicContact CE2-CG 4.45Å; Y70-R74 PolarHBondContact O-N 3.3Å; E71-R74 PolarHBondContact O-N 2.93Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 3.12Å; R74-L76 VanDerWaalsContact C-N 3.27Å; R74-L76 PolarHBondContact O-N 2.93Å; R74-R77 WeakPolarHBondContact O-CB 3.37Å; R74-R77 PolarHBondContact O-N 3.26Å; R74-Q78 PolarHBondContact O-N 2.93Å; R74-Q78 VanDerWaalsContact O-N 3.15Å |
| 75 | Y | 98.4 | Very high | 97.1 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 17% | 0.165 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -42.5 | 173.8 | 173.8 | -88.7 | 0 | 0 | 0 | 110.5 | E71 L72 Q78 R79 F313 L331 V334 P338 | E71-Y75 PolarHBondContact O-N 3.14Å; L72-Y75 WeakPolarHBondContact O-CB 3.48Å; L72-Y75 PolarHBondContact O-N 3.01Å; L72-Y75 VanDerWaalsContact O-N 3.12Å; Y75-Q78 PolarHBondContact O-N 3.31Å; Y75-R79 HydrophobicContact CE1-CB 4.3Å; Y75-R79 WeakPolarHBondContact O-CB 3.44Å; Y75-R79 PolarHBondContact O-N 2.88Å; Y75-F313 HydrophobicContact CE1-CE2 4.35Å; Y75-F313 HydrophobicContact CE1-CZ 4.13Å; Y75-L331 HydrophobicContact CD1-CD2 3.71Å; Y75-L331 HydrophobicContact CE1-CD1 4.47Å; Y75-L331 HydrophobicContact CE1-CD2 3.56Å; Y75-L331 HydrophobicContact CE2-CD1 4.5Å; Y75-L331 HydrophobicContact CE2-CD2 4.49Å; Y75-L331 HydrophobicContact CG-CD2 4.26Å; Y75-V334 HydrophobicContact CG-CG1 4.38Å; Y75-P338 WeakPolarHBondContact OH-CG 3.24Å |
| 76 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 177.1 | -87.5 | 74.6 | 0 | 0 | 0 | 113 | L72 G73 R74 Q78 R79 Y80 H110 L114 M283 F313 | L72-L76 HydrophobicContact CD1-CD1 3.59Å; L72-L76 HydrophobicContact CG-CD1 3.84Å; L72-L76 WeakPolarHBondContact O-CD1 2.91Å; L72-L76 PolarHBondContact O-N 2.87Å; G73-L76 WeakPolarHBondContact O-CB 3.48Å; G73-L76 PolarHBondContact O-N 3.18Å; R74-L76 VanDerWaalsContact C-N 3.27Å; R74-L76 PolarHBondContact O-N 2.93Å; L76-Q78 PolarHBondContact O-N 3.38Å; L76-R79 PolarHBondContact O-N 3.11Å; L76-Y80 HydrophobicContact CB-CD2 4.17Å; L76-Y80 HydrophobicContact CB-CE2 4.38Å; L76-Y80 HydrophobicContact CD2-CE2 4.34Å; L76-Y80 HydrophobicContact CG-CD2 4.21Å; L76-Y80 HydrophobicContact CG-CE2 3.92Å; L76-Y80 WeakPolarHBondContact O-CD2 3.21Å; L76-Y80 PolarHBondContact O-N 3.1Å; L76-H110 WeakPolarHBondContact CD2-NE2 3.43Å; L76-L114 HydrophobicContact CB-CD1 3.83Å; L76-M283 HydrophobicContact CD2-CE 4.33Å; L76-F313 HydrophobicContact CD1-CE1 3.99Å; L76-F313 HydrophobicContact CD1-CZ 4.12Å; L76-F313 HydrophobicContact CG-CE1 4.22Å |
| 77 | R | 96.5 | Very high | 96.9 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 15% | 0.151 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.1 | -43.6 | 173.4 | 172 | 51.8 | 57.4 | -174.2 | 8.4 | 110.9 | G73 R74 N81 D85 E86 L114 | G73-R77 PolarHBondContact O-N 3.47Å; R74-R77 WeakPolarHBondContact O-CB 3.37Å; R74-R77 PolarHBondContact O-N 3.26Å; R77-N81 PolarHBondContact O-N 3.01Å; R77-D85 PolarHBondContact NH1-O 2.8Å; R77-D85 PolarHBondContact NH2-O 3.23Å; R77-E86 PolarHBondContact NH2-O 3.24Å; R77-L114 HydrophobicContact CB-CD1 4.05Å; R77-L114 PolarHBondContact NE-O 3.07Å; R77-L114 PolarHBondContact NH2-O 2.95Å |
| 78 | Q | 96.7 | Very high | 96.9 | Very high | 133 Ų | 133 | 54.1 Ų | 54.1 | 62% | 0.621 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -71 | -47.3 | 176.7 | -67.5 | 176.3 | -12.1 | 0 | 0 | 111.8 | R74 Y75 L76 Y80 N81 | R74-Q78 PolarHBondContact O-N 2.93Å; R74-Q78 VanDerWaalsContact O-N 3.15Å; Y75-Q78 PolarHBondContact O-N 3.31Å; L76-Q78 PolarHBondContact O-N 3.38Å; Q78-Y80 VanDerWaalsContact C-N 3.35Å; Q78-Y80 PolarHBondContact O-N 2.8Å; Q78-N81 WeakPolarHBondContact O-CB 3.38Å; Q78-N81 PolarHBondContact O-N 3.07Å |
| 79 | R | 96.1 | Very high | 96.8 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 28% | 0.275 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -41 | -177.7 | 177.6 | 177.5 | 178.4 | 78.6 | 4.1 | 113.2 | Y75 L76 E315 | Y75-R79 HydrophobicContact CE1-CB 4.3Å; Y75-R79 WeakPolarHBondContact O-CB 3.44Å; Y75-R79 PolarHBondContact O-N 2.88Å; L76-R79 PolarHBondContact O-N 3.11Å; R79-E315 IonicContact CZ-OE1 2.79Å; R79-E315 IonicContact NE-OE1 3.19Å; R79-E315 PolarHBondContact NE-OE1 3.27Å; R79-E315 IonicContact NH2-OE1 2.71Å; R79-E315 PolarHBondContact NH2-OE1 3.15Å; R79-E315 IonicContact NH2-OE2 3.64Å |
| 80 | Y | 96.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 20.9 | -177 | -57.9 | -63.8 | 0 | 0 | 0 | 112.6 | M1 N4 L76 Q78 G82 F83 L84 M281 F313 E315 | M1-Y80 HydrophobicContact CE-CD1 4.1Å; M1-Y80 HydrophobicContact CE-CE1 3.86Å; M1-Y80 HydrophobicContact SD-CD1 4.03Å; M1-Y80 HydrophobicContact SD-CE1 4Å; N4-Y80 WeakPolarHBondContact ND2-CE1 3.08Å; N4-Y80 PolarHBondContact ND2-OH 3.08Å; L76-Y80 HydrophobicContact CB-CD2 4.17Å; L76-Y80 HydrophobicContact CB-CE2 4.38Å; L76-Y80 HydrophobicContact CD2-CE2 4.34Å; L76-Y80 HydrophobicContact CG-CD2 4.21Å; L76-Y80 HydrophobicContact CG-CE2 3.92Å; L76-Y80 WeakPolarHBondContact O-CD2 3.21Å; L76-Y80 PolarHBondContact O-N 3.1Å; Q78-Y80 VanDerWaalsContact C-N 3.35Å; Q78-Y80 PolarHBondContact O-N 2.8Å; Y80-G82 PolarHBondContact O-N 3.35Å; Y80-F83 HydrophobicContact CD1-CD1 4.25Å; Y80-F83 WeakPolarHBondContact O-CA 3.43Å; Y80-F83 WeakPolarHBondContact O-CB 3.48Å; Y80-F83 PolarHBondContact O-N 3.07Å; Y80-L84 PolarHBondContact O-N 3.11Å; Y80-M281 HydrophobicContact CD2-CE 3.77Å; Y80-M281 HydrophobicContact CE2-CE 4.03Å; Y80-M281 HydrophobicContact CG-CE 4.11Å; Y80-F313 HydrophobicContact CE2-CE1 4.45Å; Y80-F313 WeakPolarHBondContact OH-CD1 3.35Å; Y80-F313 WeakPolarHBondContact OH-CG 3Å; Y80-E315 PolarHBondContact OH-OE1 3.08Å; Y80-E315 VanDerWaalsContact OH-OE1 3.13Å |
| 81 | N | 95 | Very high | 96.6 | Very high | 111 Ų | 111 | 56.9 Ų | 56.9 | 59% | 0.594 | 30% | 0.304 | S | S | * | . | B | Isolated β-bridge | trans | -56.1 | 134.7 | 171 | -173.3 | 31.2 | 0 | 0 | 0 | 110.4 | R77 Q78 F83 | R77-N81 PolarHBondContact O-N 3.01Å; Q78-N81 WeakPolarHBondContact O-CB 3.38Å; Q78-N81 PolarHBondContact O-N 3.07Å; N81-F83 PolarHBondContact O-N 3.16Å; N81-F83 VanDerWaalsContact O-N 3.16Å |
| 82 | G | 93.7 | Very high | 96.6 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 79% | 0.794 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -15 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y80 | Y80-G82 PolarHBondContact O-N 3.35Š|
| 83 | F | 95.9 | Very high | 96.5 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -55.4 | 166.5 | 177.9 | -118.2 | 0 | 0 | 0 | 110.7 | M1 N4 Y80 N81 K280 | M1-F83 HydrophobicContact CB-CD2 3.87Å; M1-F83 HydrophobicContact CB-CE2 3.86Å; M1-F83 HydrophobicContact CB-CG 4.35Å; M1-F83 HydrophobicContact CB-CZ 4.31Å; M1-F83 HydrophobicContact CG-CD2 4.4Å; M1-F83 HydrophobicContact CG-CE1 4.29Å; M1-F83 HydrophobicContact CG-CE2 4.11Å; M1-F83 HydrophobicContact CG-CZ 4.04Å; M1-F83 VanDerWaalsContact O-CE2 3.29Å; M1-F83 WeakPolarHBondContact O-CE2 3.37Å; M1-F83 HydrophobicContact SD-CD1 3.75Å; M1-F83 HydrophobicContact SD-CD2 4.46Å; M1-F83 HydrophobicContact SD-CE1 3.74Å; M1-F83 HydrophobicContact SD-CE2 4.47Å; M1-F83 HydrophobicContact SD-CG 4.12Å; M1-F83 HydrophobicContact SD-CZ 4.11Å; N4-F83 HydrophobicContact CB-CE1 4.29Å; Y80-F83 HydrophobicContact CD1-CD1 4.25Å; Y80-F83 WeakPolarHBondContact O-CA 3.43Å; Y80-F83 WeakPolarHBondContact O-CB 3.48Å; Y80-F83 PolarHBondContact O-N 3.07Å; N81-F83 PolarHBondContact O-N 3.16Å; N81-F83 VanDerWaalsContact O-N 3.16Å; F83-K280 HydrophobicContact CE1-CB 3.77Å; F83-K280 HydrophobicContact CE1-CG 4.47Å; F83-K280 WeakPolarHBondContact CE1-O 3.34Å; F83-K280 HydrophobicContact CE2-CB 4.31Å; F83-K280 HydrophobicContact CE2-CD 4.46Å; F83-K280 HydrophobicContact CE2-CG 4.22Å; F83-K280 HydrophobicContact CZ-CB 3.6Å; F83-K280 HydrophobicContact CZ-CD 4.49Å; F83-K280 HydrophobicContact CZ-CG 4.01Å; F83-K280 WeakPolarHBondContact CZ-O 3.28Å; F83-K280 WeakPolarHBondContact O-CD 3.15Å; F83-K280 WeakPolarHBondContact O-CE 3.22Å; F83-K280 PolarHBondContact O-NZ 2.9Å |
| 84 | L | 96.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -85.9 | 142.5 | 172.9 | -66.6 | -179.7 | 0 | 0 | 0 | 110.7 | Y80 I93 L114 K280 M281 | Y80-L84 PolarHBondContact O-N 3.11Å; L84-I93 HydrophobicContact CD2-CG2 4.12Å; L84-L114 HydrophobicContact CD1-CD1 4.12Å; L84-L114 HydrophobicContact CD1-CD2 4.39Å; L84-K280 HydrophobicContact CD2-CB 3.83Å; L84-K280 HydrophobicContact CD2-CD 4.01Å; L84-M281 HydrophobicContact CD1-CE 3.57Å; L84-M281 HydrophobicContact CD1-SD 4.01Å; L84-M281 HydrophobicContact CD2-CB 4.4Å; L84-M281 HydrophobicContact CD2-CE 4.05Å; L84-M281 HydrophobicContact CG-CE 4.03Å |
| 85 | D | 95.5 | Very high | 96.6 | Very high | 60 Ų | 60 | 52 Ų | 52 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | trans | -67.6 | 150.1 | 174.2 | -62.3 | 4.5 | 0 | 0 | 0 | 110.1 | R77 Q92 K280 | R77-D85 PolarHBondContact NH1-O 2.8Å; R77-D85 PolarHBondContact NH2-O 3.23Å; D85-Q92 VanDerWaalsContact CG-OE1 3.3Å; D85-Q92 PolarHBondContact OD1-NE2 3.36Å; D85-Q92 VanDerWaalsContact OD1-NE2 3.09Å; D85-Q92 PolarHBondContact OD1-OE1 3.45Å; D85-Q92 PolarHBondContact OD2-NE2 2.84Å; D85-K280 IonicContact OD1-NZ 3.13Å; D85-K280 PolarHBondContact OD1-NZ 3.36Å | ||
| 86 | E | 94.8 | Very high | 96.6 | Very high | 137 Ų | 137 | 51.4 Ų | 51.4 | 64% | 0.64 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -59.8 | -52 | 176 | -68.4 | -174.6 | 175.8 | 0 | 0 | 110.9 | R77 | R77-E86 PolarHBondContact NH2-O 3.24Š|
| 87 | S | 95.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 35% | 0.35 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -74.1 | 145.5 | 171.9 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | N89 | S87-N89 PolarHBondContact O-N 3.23Š|
| 88 | Y | 97.2 | Very high | 96.7 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | trans | -61.7 | 133.4 | 174 | 166.7 | -109.9 | 0 | 0 | 0 | 111.5 | A90 I93 Y115 Q121 I132 P133 | Y88-A90 HydrophobicContact CE1-CB 4.21Å; Y88-A90 WeakPolarHBondContact OH-CA 3.31Å; Y88-A90 WeakPolarHBondContact OH-CB 3.42Å; Y88-I93 HydrophobicContact CD2-CD1 3.7Å; Y88-I93 HydrophobicContact CD2-CG1 4.24Å; Y88-I93 HydrophobicContact CE2-CD1 3.56Å; Y88-I93 HydrophobicContact CE2-CG1 3.72Å; Y88-Y115 VanDerWaalsContact CA-CD1 3.49Å; Y88-Q121 PolarHBondContact O-NE2 2.93Å; Y88-I132 HydrophobicContact CD1-CG1 4.39Å; Y88-I132 HydrophobicContact CD2-CD1 3.76Å; Y88-I132 HydrophobicContact CD2-CG1 4.06Å; Y88-I132 HydrophobicContact CD2-CG2 4.15Å; Y88-I132 HydrophobicContact CE2-CD1 4.34Å; Y88-I132 HydrophobicContact CE2-CG1 4.27Å; Y88-I132 HydrophobicContact CE2-CG2 3.64Å; Y88-I132 HydrophobicContact CG-CD1 3.98Å; Y88-I132 HydrophobicContact CG-CG1 4.12Å; Y88-P133 WeakPolarHBondContact OH-CD 3.47Å | ||
| 89 | N | 96.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | trans | -131.2 | 116.2 | 174 | -178.3 | -25 | 0 | 0 | 0 | 109 | S87 S91 Q92 | S87-N89 PolarHBondContact O-N 3.23Å; N89-S91 PolarHBondContact O-N 2.67Å; N89-S91 VanDerWaalsContact O-N 3.14Å; N89-S91 WeakPolarHBondContact OD1-CB 3.49Å; N89-S91 PolarHBondContact OD1-N 3.32Å; N89-Q92 HydrophobicContact CB-CB 4.27Å; N89-Q92 HydrophobicContact CB-CG 3.85Å; N89-Q92 WeakPolarHBondContact O-CB 3.45Å; N89-Q92 PolarHBondContact O-N 2.03Å | ||
| 90 | A | 96.3 | Very high | 96.9 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y88 Q92 | Y88-A90 HydrophobicContact CE1-CB 4.21Å; Y88-A90 WeakPolarHBondContact OH-CA 3.31Å; Y88-A90 WeakPolarHBondContact OH-CB 3.42Å; A90-Q92 VanDerWaalsContact C-N 3.32Å |
| 91 | S | 96.8 | Very high | 96.9 | Very high | 62 Ų | 62 | 50.9 Ų | 50.9 | 43% | 0.434 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.3 | 175.6 | -55.5 | 0 | 0 | 0 | 0 | 113.3 | N89 T279 | N89-S91 PolarHBondContact O-N 2.67Å; N89-S91 VanDerWaalsContact O-N 3.14Å; N89-S91 WeakPolarHBondContact OD1-CB 3.49Å; N89-S91 PolarHBondContact OD1-N 3.32Å; S91-T279 PolarHBondContact O-N 2.94Å; S91-T279 PolarHBondContact O-OG1 3.38Å |
| 92 | Q | 97.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -33 | -176.2 | -68.6 | -172.6 | 0.8 | 0 | 0 | 113.8 | D85 N89 A90 P278 T279 K280 M281 | D85-Q92 VanDerWaalsContact CG-OE1 3.3Å; D85-Q92 PolarHBondContact OD1-NE2 3.36Å; D85-Q92 VanDerWaalsContact OD1-NE2 3.09Å; D85-Q92 PolarHBondContact OD1-OE1 3.45Å; D85-Q92 PolarHBondContact OD2-NE2 2.84Å; N89-Q92 HydrophobicContact CB-CB 4.27Å; N89-Q92 HydrophobicContact CB-CG 3.85Å; N89-Q92 WeakPolarHBondContact O-CB 3.45Å; N89-Q92 PolarHBondContact O-N 2.03Å; A90-Q92 VanDerWaalsContact C-N 3.32Å; Q92-P278 WeakPolarHBondContact O-CB 3.39Å; Q92-T279 WeakPolarHBondContact CA-OG1 3.44Å; Q92-K280 HydrophobicContact CB-CB 4.26Å; Q92-K280 HydrophobicContact CB-CD 4.08Å; Q92-K280 HydrophobicContact CB-CG 4.17Å; Q92-K280 VanDerWaalsContact CD-NZ 3.28Å; Q92-K280 HydrophobicContact CG-CD 3.86Å; Q92-K280 HydrophobicContact CG-CG 4.14Å; Q92-K280 VanDerWaalsContact NE2-CE 3.26Å; Q92-K280 CarbonylContact O-C 3.57Å; Q92-K280 WeakPolarHBondContact O-CA 3.39Å; Q92-K280 WeakPolarHBondContact O-CB 3.33Å; Q92-K280 PolarHBondContact O-N 3.39Å; Q92-M281 PolarHBondContact O-N 3.49Å |
| 93 | I | 97.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.2 | -173.4 | 76.3 | -179.4 | 0 | 0 | 0 | 111.2 | L84 Y88 V95 L111 Y115 I132 M281 | L84-I93 HydrophobicContact CD2-CG2 4.12Å; Y88-I93 HydrophobicContact CD2-CD1 3.7Å; Y88-I93 HydrophobicContact CD2-CG1 4.24Å; Y88-I93 HydrophobicContact CE2-CD1 3.56Å; Y88-I93 HydrophobicContact CE2-CG1 3.72Å; I93-V95 HydrophobicContact CD1-CG2 4.39Å; I93-L111 HydrophobicContact CD1-CD2 4.4Å; I93-Y115 HydrophobicContact CD1-CD2 3.94Å; I93-Y115 HydrophobicContact CD1-CE2 3.33Å; I93-Y115 HydrophobicContact CG2-CE2 4.24Å; I93-Y115 WeakPolarHBondContact CG2-OH 3.36Å; I93-I132 HydrophobicContact CD1-CG2 4.2Å; I93-M281 CarbonylContact C-O 3.45Å; I93-M281 VanDerWaalsContact CA-O 3.3Å; I93-M281 WeakPolarHBondContact CA-O 3.33Å; I93-M281 HydrophobicContact CB-CB 4.4Å; I93-M281 HydrophobicContact CG2-CB 4Å |
| 94 | Y | 98.3 | Very high | 97.4 | Very high | 77 Ų | 77 | 43.8 Ų | 43.8 | 30% | 0.302 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.7 | 167.3 | 176.1 | -97.6 | 0 | 0 | 0 | 108.7 | R96 H135 M281 F282 M283 | Y94-R96 HydrophobicContact CD1-CB 4.41Å; Y94-R96 HydrophobicContact CE1-CB 3.75Å; Y94-H135 AromaticContact CD2-CD2 3.79Å; Y94-H135 HydrophobicContact CE2-CB 4.34Å; Y94-H135 AromaticContact CE2-CD2 3.25Å; Y94-H135 WeakPolarHBondContact CE2-CD2 3.43Å; Y94-H135 AromaticContact CE2-CG 3.84Å; Y94-H135 AromaticContact CE2-NE2 3.78Å; Y94-H135 AromaticContact CZ-CD2 3.87Å; Y94-M281 PolarHBondContact N-O 3.14Å; Y94-F282 AromaticContact CD1-CD1 3.79Å; Y94-F282 HydrophobicContact CD1-CD1 3.79Å; Y94-F282 HydrophobicContact CD1-CE1 4.06Å; Y94-F282 HydrophobicContact CG-CD1 4.36Å; Y94-F282 HydrophobicContact CG-CE1 4.44Å; Y94-M283 PolarHBondContact O-N 2.8Å |
| 95 | V | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.1 | -177.3 | -167.2 | 0 | 0 | 0 | 0 | 110.1 | I93 A107 L111 V134 H135 M283 | I93-V95 HydrophobicContact CD1-CG2 4.39Å; V95-A107 HydrophobicContact CG1-CB 4.5Å; V95-L111 HydrophobicContact CB-CD1 4.46Å; V95-L111 HydrophobicContact CG1-CD1 4.19Å; V95-L111 HydrophobicContact CG2-CD1 4.05Å; V95-L111 HydrophobicContact CG2-CD2 3.87Å; V95-V134 HydrophobicContact CB-CG2 4.48Å; V95-V134 HydrophobicContact CG1-CG1 4.31Å; V95-V134 HydrophobicContact CG1-CG2 4.08Å; V95-H135 PolarHBondContact O-CD2 3.34Å; V95-H135 PolarHBondContact O-N 3.26Å; V95-M283 WeakPolarHBondContact CA-O 3.44Å; V95-M283 HydrophobicContact CB-CB 4.47Å; V95-M283 HydrophobicContact CG1-CB 4.17Å; V95-M283 HydrophobicContact CG1-CG 4.19Å; V95-M283 HydrophobicContact CG1-SD 3.98Å; V95-M283 HydrophobicContact CG2-CB 4.26Å; V95-M283 HydrophobicContact CG2-SD 4.32Å |
| 96 | R | 98.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 11% | 0.109 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136.4 | -179.6 | 178.3 | 73.4 | -178.1 | -166.8 | -11.6 | 109.6 | Y94 H135 T136 V137 L145 M283 Y284 S285 | Y94-R96 HydrophobicContact CD1-CB 4.41Å; Y94-R96 HydrophobicContact CE1-CB 3.75Å; R96-H135 CarbonylContact C-O 3.56Å; R96-H135 WeakPolarHBondContact CA-O 3.34Å; R96-H135 WeakPolarHBondContact CD-O 3.45Å; R96-T136 VanDerWaalsContact CZ-C 3.44Å; R96-T136 PolarHBondContact NH1-O 3.49Å; R96-T136 VanDerWaalsContact NH1-O 3.12Å; R96-V137 VanDerWaalsContact NH2-CB 3.26Å; R96-L145 HydrophobicContact CB-CD1 4.4Å; R96-L145 HydrophobicContact CG-CD1 3.66Å; R96-M283 PolarHBondContact N-O 3.4Å; R96-Y284 HydrophobicContact CB-CD1 3.79Å; R96-Y284 HydrophobicContact CB-CE1 4.03Å; R96-Y284 HydrophobicContact CG-CD1 4.17Å; R96-Y284 HydrophobicContact CG-CE1 4.39Å; R96-Y284 CarbonylContact O-C 3.4Å; R96-Y284 VanDerWaalsContact O-CA 3.27Å; R96-Y284 WeakPolarHBondContact O-CA 3.31Å; R96-S285 PolarHBondContact O-N 3Å |
| 97 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 152.5 | 175.5 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | T103 L104 H135 T136 S285 | S97-T103 VanDerWaalsContact OG-CB 3.29Å; S97-T103 WeakPolarHBondContact OG-CB 3.37Å; S97-T103 PolarHBondContact OG-O 3.38Å; S97-T103 PolarHBondContact OG-OG1 3.11Å; S97-L104 PolarHBondContact OG-N 3.37Å; S97-H135 PolarHBondContact N-O 2.85Å; S97-T136 PolarHBondContact O-OG1 2.94Å; S97-S285 WeakPolarHBondContact CA-O 3.31Å |
| 98 | T | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -64.5 | 155.2 | 158.4 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | Y100 T103 D142 L145 S285 A286 H287 | T98-Y100 VanDerWaalsContact C-N 3.28Å; T98-Y100 PolarHBondContact O-N 3.23Å; T98-T103 PolarHBondContact O-OG1 3.32Å; T98-T103 WeakPolarHBondContact OG1-CB 3.42Å; T98-T103 VanDerWaalsContact OG1-CG2 3.3Å; T98-T103 WeakPolarHBondContact OG1-CG2 3.43Å; T98-T103 PolarHBondContact OG1-OG1 2.9Å; T98-D142 WeakPolarHBondContact CG2-OD2 3.44Å; T98-L145 HydrophobicContact CG2-CB 3.51Å; T98-L145 HydrophobicContact CG2-CD1 4.48Å; T98-S285 PolarHBondContact N-O 2.75Å; T98-S285 VanDerWaalsContact N-O 3.14Å; T98-A286 HydrophobicContact CG2-CB 4.38Å; T98-H287 PolarHBondContact OG1-NE2 3.17Å | ||
| 99 | D | 98 | Very high | 98.1 | Very high | 68 Ų | 68 | 34.5 Ų | 34.5 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -82.3 | 65.2 | 179.3 | -168.1 | 31.9 | 0 | 0 | 0 | 113 | T136 V137 T139 | D99-T136 WeakPolarHBondContact CA-OG1 3.3Å; D99-T136 WeakPolarHBondContact CB-OG1 3.46Å; D99-T136 PolarHBondContact N-OG1 2.74Å; D99-V137 VanDerWaalsContact CB-O 3.28Å; D99-V137 WeakPolarHBondContact CB-O 3.28Å; D99-T139 HydrophobicContact CB-CG2 3.84Å; D99-T139 VanDerWaalsContact O-CG2 3.22Å; D99-T139 WeakPolarHBondContact O-CG2 3.48Å |
| 100 | Y | 98.1 | Very high | 98.2 | Very high | 73 Ų | 73 | 31.8 Ų | 31.8 | 29% | 0.286 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -128.5 | 139.3 | 167.3 | -66.6 | -84.1 | 0 | 0 | 0 | 109.2 | T98 R102 T103 L104 T139 H287 | T98-Y100 VanDerWaalsContact C-N 3.28Å; T98-Y100 PolarHBondContact O-N 3.23Å; Y100-R102 PolarHBondContact O-N 2.95Å; Y100-R102 VanDerWaalsContact O-N 3.11Å; Y100-T103 PolarHBondContact N-OG1 2.81Å; Y100-T103 PolarHBondContact O-N 3.43Å; Y100-T103 PolarHBondContact O-OG1 2.89Å; Y100-L104 PolarHBondContact O-N 2.83Å; Y100-T139 HydrophobicContact CD2-CG2 4.44Å; Y100-T139 HydrophobicContact CE1-CG2 4.5Å; Y100-T139 HydrophobicContact CE2-CG2 3.99Å; Y100-H287 AromaticContact CD2-CE1 3.52Å; Y100-H287 AromaticContact CD2-NE2 3.28Å; Y100-H287 VanDerWaalsContact CD2-NE2 3.28Å; Y100-H287 WeakPolarHBondContact CD2-NE2 3.38Å; Y100-H287 AromaticContact CE2-CE1 3.95Å; Y100-H287 AromaticContact CE2-NE2 3.42Å; Y100-H287 WeakPolarHBondContact CE2-NE2 3.13Å |
| 101 | D | 98.1 | Very high | 98.3 | Very high | 98 Ų | 98 | 28.9 Ų | 28.9 | 52% | 0.524 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -49.1 | -45.5 | -179.6 | -58.1 | -14.9 | 0 | 0 | 0 | 112.4 | Q35 T103 L104 A105 | Q35-D101 PolarHBondContact NE2-OD2 2.75Å; Q35-D101 VanDerWaalsContact OE1-CB 3.29Å; D101-T103 VanDerWaalsContact C-N 3.34Å; D101-T103 PolarHBondContact O-N 3.01Å; D101-L104 PolarHBondContact O-N 2.84Å; D101-A105 WeakPolarHBondContact O-CB 3.49Å; D101-A105 PolarHBondContact O-N 3.02Å |
| 102 | R | 97.9 | Very high | 98.3 | Very high | 24 Ų | 24 | 27 Ų | 27 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -32.3 | 179.1 | 66.5 | -178 | 177.6 | -76.1 | -8.9 | 114.2 | H10 L36 Y100 S106 H287 | H10-R102 PolarHBondContact NE2-NE 2.69Å; H10-R102 VanDerWaalsContact NE2-NE 3.15Å; L36-R102 HydrophobicContact CD2-CB 3.98Å; L36-R102 HydrophobicContact CG-CB 4.39Å; Y100-R102 PolarHBondContact O-N 2.95Å; Y100-R102 VanDerWaalsContact O-N 3.11Å; R102-S106 WeakPolarHBondContact O-CB 3.47Å; R102-S106 PolarHBondContact O-N 2.83Å; R102-S106 PolarHBondContact O-OG 2.84Å; R102-H287 PolarHBondContact NH2-CE1 2.63Å; R102-H287 VanDerWaalsContact NH2-CE1 3.29Å |
| 103 | T | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -82.2 | -37.8 | -179.7 | 46.6 | 0 | 0 | 0 | 0 | 111 | H10 S97 T98 Y100 D101 S106 A107 S285 | H10-T103 HydrophobicContact CB-CG2 3.85Å; S97-T103 VanDerWaalsContact OG-CB 3.29Å; S97-T103 WeakPolarHBondContact OG-CB 3.37Å; S97-T103 PolarHBondContact OG-O 3.38Å; S97-T103 PolarHBondContact OG-OG1 3.11Å; T98-T103 PolarHBondContact O-OG1 3.32Å; T98-T103 WeakPolarHBondContact OG1-CB 3.42Å; T98-T103 VanDerWaalsContact OG1-CG2 3.3Å; T98-T103 WeakPolarHBondContact OG1-CG2 3.43Å; T98-T103 PolarHBondContact OG1-OG1 2.9Å; Y100-T103 PolarHBondContact N-OG1 2.81Å; Y100-T103 PolarHBondContact O-N 3.43Å; Y100-T103 PolarHBondContact O-OG1 2.89Å; D101-T103 VanDerWaalsContact C-N 3.34Å; D101-T103 PolarHBondContact O-N 3.01Å; T103-S106 PolarHBondContact O-N 2.85Å; T103-A107 PolarHBondContact O-N 3.4Å; T103-S285 PolarHBondContact O-OG 2.99Å |
| 104 | L | 98.7 | Very high | 98.4 | Very high | 48 Ų | 48 | 26 Ų | 26 | 25% | 0.251 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -65.4 | -48.8 | 173.2 | -69.6 | 167 | 0 | 0 | 0 | 111.4 | S97 Y100 D101 S106 A107 A108 V134 T136 | S97-L104 PolarHBondContact OG-N 3.37Å; Y100-L104 PolarHBondContact O-N 2.83Å; D101-L104 PolarHBondContact O-N 2.84Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 2.78Å; L104-A107 PolarHBondContact O-N 2.81Å; L104-A108 PolarHBondContact O-N 2.85Å; L104-V134 HydrophobicContact CD2-CG1 4.01Å; L104-T136 HydrophobicContact CD2-CG2 4.45Å |
| 105 | A | 98.4 | Very high | 98.3 | Very high | 41 Ų | 41 | 22.4 Ų | 22.4 | 34% | 0.339 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -61.9 | -39.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L36 D101 A107 A108 C109 | L36-A105 HydrophobicContact CD1-CB 3.77Å; L36-A105 HydrophobicContact CG-CB 4.42Å; D101-A105 WeakPolarHBondContact O-CB 3.49Å; D101-A105 PolarHBondContact O-N 3.02Å; A105-A107 PolarHBondContact O-N 2.85Å; A105-A108 PolarHBondContact O-N 3.42Å; A105-C109 PolarHBondContact O-N 2.92Å; A105-C109 PolarHBondContact O-SG 2.98Å |
| 106 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 174 | -71.8 | 0 | 0 | 0 | 0 | 112 | H10 G11 R102 T103 L104 A108 C109 H110 | H10-S106 WeakPolarHBondContact CA-OG 3.29Å; H10-S106 WeakPolarHBondContact CB-OG 3.29Å; G11-S106 PolarHBondContact N-OG 3.09Å; R102-S106 WeakPolarHBondContact O-CB 3.47Å; R102-S106 PolarHBondContact O-N 2.83Å; R102-S106 PolarHBondContact O-OG 2.84Å; T103-S106 PolarHBondContact O-N 2.85Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 2.78Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-A108 PolarHBondContact O-N 2.87Å; S106-C109 PolarHBondContact O-N 2.53Å; S106-H110 VanDerWaalsContact O-CB 3.28Å; S106-H110 WeakPolarHBondContact O-CB 3.11Å; S106-H110 PolarHBondContact O-N 2.84Å |
| 107 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V95 T103 L104 A105 C109 H110 L111 V134 | V95-A107 HydrophobicContact CG1-CB 4.5Å; T103-A107 PolarHBondContact O-N 3.4Å; L104-A107 PolarHBondContact O-N 2.81Å; A105-A107 PolarHBondContact O-N 2.85Å; A107-C109 PolarHBondContact O-N 3.22Å; A107-H110 WeakPolarHBondContact O-CB 3.42Å; A107-H110 PolarHBondContact O-N 3.26Å; A107-L111 WeakPolarHBondContact O-CB 3.39Å; A107-L111 WeakPolarHBondContact O-CG 3.33Å; A107-L111 PolarHBondContact O-N 2.92Å; A107-V134 HydrophobicContact CB-CG1 3.85Å; A107-V134 HydrophobicContact CB-CG2 3.87Å |
| 108 | A | 98.6 | Very high | 97.9 | Very high | 39 Ų | 39 | 26.2 Ų | 26.2 | 32% | 0.322 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L104 A105 S106 L111 S112 | L104-A108 PolarHBondContact O-N 2.85Å; A105-A108 PolarHBondContact O-N 3.42Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-A108 PolarHBondContact O-N 2.87Å; A108-L111 PolarHBondContact O-N 3.48Å; A108-S112 PolarHBondContact O-N 3.28Å; A108-S112 VanDerWaalsContact O-N 3.1Å |
| 109 | C | 98.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.9 | -36.5 | 175.7 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | C66 Q69 Y70 A105 S106 A107 S112 G113 | C66-C109 VanDerWaalsContact CA-SG 3.57Å; C66-C109 HydrophobicContact CB-CB 3.93Å; C66-C109 WeakPolarHBondContact CB-SG 3.38Å; C66-C109 WeakPolarHBondContact O-CB 3.47Å; C66-C109 WeakPolarHBondContact SG-CB 2.93Å; C66-C109 CovalentContact SG-SG 2.03Å; C66-C109 PolarHBondContact SG-SG 2.99Å; Q69-C109 HydrophobicContact CB-CB 3.99Å; Y70-C109 VanDerWaalsContact CA-O 3.3Å; Y70-C109 WeakPolarHBondContact CA-O 3.39Å; A105-C109 PolarHBondContact O-N 2.92Å; A105-C109 PolarHBondContact O-SG 2.98Å; S106-C109 PolarHBondContact O-N 2.53Å; A107-C109 PolarHBondContact O-N 3.22Å; C109-S112 PolarHBondContact O-N 3Å; C109-S112 PolarHBondContact O-OG 3.28Å; C109-G113 PolarHBondContact O-N 2.85Å |
| 110 | H | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 175.2 | -166.8 | 127.2 | 0 | 0 | 0 | 111.1 | Y8 Q69 L72 G73 L76 S106 A107 S112 G113 L114 | Y8-H110 AromaticContact CD1-CE1 3.61Å; Y8-H110 AromaticContact CD1-ND1 3.82Å; Y8-H110 AromaticContact CE1-CE1 3.41Å; Y8-H110 VanDerWaalsContact CE1-CE1 3.41Å; Y8-H110 WeakPolarHBondContact CE1-CE1 3.32Å; Y8-H110 AromaticContact CE1-ND1 3.4Å; Y8-H110 WeakPolarHBondContact CE1-ND1 3.29Å; Y8-H110 AromaticContact CE2-ND1 3.81Å; Y8-H110 AromaticContact CZ-CE1 3.94Å; Y8-H110 AromaticContact CZ-CG 3.93Å; Y8-H110 AromaticContact CZ-ND1 3.42Å; Q69-H110 HydrophobicContact CB-CB 4.17Å; Q69-H110 WeakPolarHBondContact O-CA 3.28Å; Q69-H110 PolarHBondContact OE1-ND1 2.81Å; L72-H110 VanDerWaalsContact CD2-CE1 3.42Å; L72-H110 WeakPolarHBondContact CD2-CE1 3.39Å; L72-H110 VanDerWaalsContact CG-CE1 3.49Å; L72-H110 WeakPolarHBondContact CG-CE1 3.38Å; G73-H110 WeakPolarHBondContact CA-O 3.44Å; L76-H110 WeakPolarHBondContact CD2-NE2 3.43Å; S106-H110 VanDerWaalsContact O-CB 3.28Å; S106-H110 WeakPolarHBondContact O-CB 3.11Å; S106-H110 PolarHBondContact O-N 2.84Å; A107-H110 WeakPolarHBondContact O-CB 3.42Å; A107-H110 PolarHBondContact O-N 3.26Å; H110-S112 VanDerWaalsContact C-N 3.3Å; H110-S112 PolarHBondContact O-N 3.47Å; H110-G113 PolarHBondContact O-N 3.37Å; H110-L114 PolarHBondContact O-N 3.28Å |
| 111 | L | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -29.4 | -179.6 | -68.7 | 167.9 | 0 | 0 | 0 | 112.8 | I93 V95 A107 A108 G113 L114 Y115 I132 V134 M283 | I93-L111 HydrophobicContact CD1-CD2 4.4Å; V95-L111 HydrophobicContact CB-CD1 4.46Å; V95-L111 HydrophobicContact CG1-CD1 4.19Å; V95-L111 HydrophobicContact CG2-CD1 4.05Å; V95-L111 HydrophobicContact CG2-CD2 3.87Å; A107-L111 WeakPolarHBondContact O-CB 3.39Å; A107-L111 WeakPolarHBondContact O-CG 3.33Å; A107-L111 PolarHBondContact O-N 2.92Å; A108-L111 PolarHBondContact O-N 3.48Å; L111-G113 VanDerWaalsContact C-N 3.3Å; L111-G113 PolarHBondContact O-N 3.17Å; L111-L114 PolarHBondContact O-N 3.45Å; L111-Y115 PolarHBondContact O-N 2.98Å; L111-I132 HydrophobicContact CB-CB 4.4Å; L111-I132 HydrophobicContact CB-CD1 4.27Å; L111-I132 HydrophobicContact CD1-CB 3.86Å; L111-I132 HydrophobicContact CD1-CG2 3.77Å; L111-I132 HydrophobicContact CD2-CD1 4.46Å; L111-I132 HydrophobicContact CD2-CG2 4.14Å; L111-I132 HydrophobicContact CG-CG2 4.44Å; L111-V134 HydrophobicContact CD1-CG2 3.62Å; L111-M283 HydrophobicContact CD2-CE 4.25Å; L111-M283 HydrophobicContact CD2-SD 3.99Å |
| 112 | S | 97.7 | Very high | 97.5 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -31.1 | 174 | 75.9 | 0 | 0 | 0 | 0 | 112.9 | Y70 A108 C109 H110 | Y70-S112 WeakPolarHBondContact CD2-OG 3.41Å; A108-S112 PolarHBondContact O-N 3.28Å; A108-S112 VanDerWaalsContact O-N 3.1Å; C109-S112 PolarHBondContact O-N 3Å; C109-S112 PolarHBondContact O-OG 3.28Å; H110-S112 VanDerWaalsContact C-N 3.3Å; H110-S112 PolarHBondContact O-N 3.47Å |
| 113 | G | 97.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -77 | -35.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y70 G73 C109 H110 L111 | Y70-G113 VanDerWaalsContact CD2-CA 3.41Å; Y70-G113 VanDerWaalsContact CE2-CA 3.49Å; G73-G113 VanDerWaalsContact C-C 3.47Å; C109-G113 PolarHBondContact O-N 2.85Å; H110-G113 PolarHBondContact O-N 3.37Å; L111-G113 VanDerWaalsContact C-N 3.3Å; L111-G113 PolarHBondContact O-N 3.17Å |
| 114 | L | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -77.2 | -42.9 | -179.4 | -175.7 | 58.1 | 0 | 0 | 0 | 112.5 | G73 L76 R77 L84 H110 L111 M283 | G73-L114 WeakPolarHBondContact O-CA 3.37Å; L76-L114 HydrophobicContact CB-CD1 3.83Å; R77-L114 HydrophobicContact CB-CD1 4.05Å; R77-L114 PolarHBondContact NE-O 3.07Å; R77-L114 PolarHBondContact NH2-O 2.95Å; L84-L114 HydrophobicContact CD1-CD1 4.12Å; L84-L114 HydrophobicContact CD1-CD2 4.39Å; H110-L114 PolarHBondContact O-N 3.28Å; L111-L114 PolarHBondContact O-N 3.45Å; L114-M283 HydrophobicContact CD2-CE 3.57Å |
| 115 | Y | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | trans | -129.8 | 66.1 | -174.4 | -72.1 | -78.8 | 0 | 0 | 0 | 111.8 | Y88 I93 L111 Q130 I132 | Y88-Y115 VanDerWaalsContact CA-CD1 3.49Å; I93-Y115 HydrophobicContact CD1-CD2 3.94Å; I93-Y115 HydrophobicContact CD1-CE2 3.33Å; I93-Y115 HydrophobicContact CG2-CE2 4.24Å; I93-Y115 WeakPolarHBondContact CG2-OH 3.36Å; L111-Y115 PolarHBondContact O-N 2.98Å; Y115-Q130 PolarHBondContact O-NE2 3.4Å; Y115-I132 VanDerWaalsContact CB-CD1 3.41Å; Y115-I132 HydrophobicContact CD2-CD1 3.77Å; Y115-I132 HydrophobicContact CG-CD1 3.82Å | ||
| 116 | P | 96.2 | Very high | 96.9 | Very high | 50 Ų | 50 | 49.5 Ų | 49.5 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | trans | -56.1 | 139.8 | 164.4 | 27.6 | -34.1 | 0 | 0 | 0 | 109.2 | T118 | P116-T118 PolarHBondContact O-N 2.83Š| ||
| 117 | P | 96.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | trans | -63 | 134.4 | -179.2 | 26.2 | -33.4 | 0 | 0 | 0 | 111.1 | Q121 V122 Q128 Q130 | P117-Q121 HydrophobicContact CB-CB 4.4Å; P117-Q121 WeakPolarHBondContact CB-O 3.5Å; P117-V122 HydrophobicContact CB-CG2 4.05Å; P117-V122 WeakPolarHBondContact O-CG2 3.42Å; P117-Q128 VanDerWaalsContact CD-C 3.47Å; P117-Q130 HydrophobicContact CB-CB 4.26Å; P117-Q130 HydrophobicContact CB-CG 4.41Å | ||
| 118 | T | 94.1 | Very high | 96.4 | Very high | 56 Ų | 56 | 58.5 Ų | 58.5 | 34% | 0.344 | 32% | 0.324 | S | S | . | . | trans | -132.6 | 145.1 | 179.4 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | P116 E120 Q121 | P116-T118 PolarHBondContact O-N 2.83Å; T118-E120 PolarHBondContact O-N 3.28Å; T118-Q121 WeakPolarHBondContact O-CB 3.49Å; T118-Q121 PolarHBondContact O-N 2.81Å; T118-Q121 VanDerWaalsContact O-N 3.1Å | ||
| 119 | G | 94.7 | Very high | 96.2 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 69% | 0.691 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | 56.2 | -128.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q121 V122 | G119-Q121 PolarHBondContact O-N 3.43Å; G119-Q121 VanDerWaalsContact O-N 3.15Å; G119-V122 WeakPolarHBondContact O-CB 3.44Å; G119-V122 PolarHBondContact O-N 3.1Å; G119-V122 VanDerWaalsContact O-N 3.09Å |
| 120 | E | 95.4 | Very high | 96.1 | Very high | 202 Ų | 202 | 61.6 Ų | 61.6 | 94% | 0.944 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -65.2 | -13.7 | -179.3 | -61.3 | -177.1 | 172.9 | 0 | 0 | 114.1 | T118 V122 | T118-E120 PolarHBondContact O-N 3.28Å; E120-V122 VanDerWaalsContact C-N 3.3Å |
| 121 | Q | 96.3 | Very high | 96 | Very high | 48 Ų | 48 | 65.6 Ų | 65.6 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -80.2 | -10.7 | 174.7 | -62.8 | -170.1 | -36.1 | 0 | 0 | 113.3 | Y88 P117 T118 G119 W123 | Y88-Q121 PolarHBondContact O-NE2 2.93Å; P117-Q121 HydrophobicContact CB-CB 4.4Å; P117-Q121 WeakPolarHBondContact CB-O 3.5Å; T118-Q121 WeakPolarHBondContact O-CB 3.49Å; T118-Q121 PolarHBondContact O-N 2.81Å; T118-Q121 VanDerWaalsContact O-N 3.1Å; G119-Q121 PolarHBondContact O-N 3.43Å; G119-Q121 VanDerWaalsContact O-N 3.15Å; Q121-W123 PolarHBondContact O-N 3.47Å |
| 122 | V | 97.2 | Very high | 96 | Very high | 58 Ų | 58 | 66.2 Ų | 66.2 | 35% | 0.352 | 36% | 0.355 | S | S | . | . | trans | -73.2 | 92.6 | 171.8 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | P117 G119 E120 | P117-V122 HydrophobicContact CB-CG2 4.05Å; P117-V122 WeakPolarHBondContact O-CG2 3.42Å; G119-V122 WeakPolarHBondContact O-CB 3.44Å; G119-V122 PolarHBondContact O-N 3.1Å; G119-V122 VanDerWaalsContact O-N 3.09Å; E120-V122 VanDerWaalsContact C-N 3.3Å | ||
| 123 | W | 96.1 | Very high | 96 | Very high | 143 Ų | 143 | 68.2 Ų | 68.2 | 54% | 0.542 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -83 | -20.5 | 179.4 | 68.8 | -85.8 | 0 | 0 | 0 | 112.8 | Q121 I127 W129 | Q121-W123 PolarHBondContact O-N 3.47Å; W123-I127 HydrophobicContact CH2-CD1 3.64Å; W123-I127 HydrophobicContact CZ2-CB 4.27Å; W123-I127 HydrophobicContact CZ2-CD1 3.84Å; W123-I127 HydrophobicContact CZ2-CG2 4.04Å; W123-W129 PolarHBondContact NE1-O 3.5Å |
| 124 | N | 96 | Very high | 96.1 | Very high | 46 Ų | 46 | 70 Ų | 70 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | trans | -147.4 | 123.3 | 176.2 | -178.7 | -25.4 | 0 | 0 | 0 | 109.8 | E126 I127 | N124-E126 PolarHBondContact O-N 3.34Å; N124-E126 WeakPolarHBondContact OD1-CB 3.41Å; N124-E126 PolarHBondContact OD1-N 3.3Å; N124-I127 HydrophobicContact CB-CB 4.19Å; N124-I127 HydrophobicContact CB-CD1 4.36Å; N124-I127 HydrophobicContact CB-CG1 4.36Å; N124-I127 WeakPolarHBondContact ND2-CD1 3.4Å; N124-I127 PolarHBondContact O-N 3.48Å | ||
| 125 | S | 94.5 | Very high | 96.1 | Very high | 103 Ų | 103 | 74 Ų | 74 | 72% | 0.72 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.9 | -176.7 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 126 | E | 95.7 | Very high | 96.1 | Very high | 174 Ų | 174 | 76.5 Ų | 76.5 | 81% | 0.813 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -14.4 | 178.2 | -58.8 | -179.1 | 176.4 | 0 | 0 | 112.5 | N124 | N124-E126 PolarHBondContact O-N 3.34Å; N124-E126 WeakPolarHBondContact OD1-CB 3.41Å; N124-E126 PolarHBondContact OD1-N 3.3Å |
| 127 | I | 93.5 | Very high | 96.2 | Very high | 64 Ų | 64 | 76.6 Ų | 76.6 | 33% | 0.328 | 41% | 0.411 | S | S | . | . | trans | -117.2 | 104.1 | -173.7 | -58.1 | 177.3 | 0 | 0 | 0 | 109.9 | W123 N124 W129 | W123-I127 HydrophobicContact CH2-CD1 3.64Å; W123-I127 HydrophobicContact CZ2-CB 4.27Å; W123-I127 HydrophobicContact CZ2-CD1 3.84Å; W123-I127 HydrophobicContact CZ2-CG2 4.04Å; N124-I127 HydrophobicContact CB-CB 4.19Å; N124-I127 HydrophobicContact CB-CD1 4.36Å; N124-I127 HydrophobicContact CB-CG1 4.36Å; N124-I127 WeakPolarHBondContact ND2-CD1 3.4Å; N124-I127 PolarHBondContact O-N 3.48Å; I127-W129 HydrophobicContact CG2-CB 3.87Å; I127-W129 PolarHBondContact O-N 3.03Å | ||
| 128 | Q | 92.7 | Very high | 96.2 | Very high | 124 Ų | 124 | 78.5 Ų | 78.5 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | trans | -81.2 | 44.1 | 175.5 | -61.6 | -60.6 | -52.7 | 0 | 0 | 112.2 | P117 | P117-Q128 VanDerWaalsContact CD-C 3.47Š| ||
| 129 | W | 95.9 | Very high | 96.2 | Very high | 104 Ų | 104 | 77.1 Ų | 77.1 | 39% | 0.394 | 42% | 0.416 | S | S | . | . | trans | -145.4 | 145.1 | -178.8 | 175.5 | 88.8 | 0 | 0 | 0 | 109.9 | W123 I127 P131 | W123-W129 PolarHBondContact NE1-O 3.5Å; I127-W129 HydrophobicContact CG2-CB 3.87Å; I127-W129 PolarHBondContact O-N 3.03Å; W129-P131 VanDerWaalsContact CH2-CA 3.44Å; W129-P131 HydrophobicContact CH2-CB 3.63Å; W129-P131 HydrophobicContact CH2-CG 4.41Å; W129-P131 HydrophobicContact CZ2-CB 4.28Å; W129-P131 HydrophobicContact CZ3-CB 4.08Å; W129-P131 HydrophobicContact CZ3-CG 4.39Å | ||
| 130 | Q | 96.4 | Very high | 96.2 | Very high | 17 Ų | 17 | 80.2 Ų | 80.2 | 8% | 0.079 | 41% | 0.412 | C | S | . | . | trans | -130.3 | 147.1 | 171.6 | 60.2 | -179.2 | -45.4 | 0 | 0 | 110.3 | Y115 P117 I132 | Y115-Q130 PolarHBondContact O-NE2 3.4Å; P117-Q130 HydrophobicContact CB-CB 4.26Å; P117-Q130 HydrophobicContact CB-CG 4.41Å; Q130-I132 HydrophobicContact CG-CD1 4.47Å; Q130-I132 HydrophobicContact CG-CG1 4.31Å; Q130-I132 PolarHBondContact O-N 3.1Å | ||
| 131 | P | 95.9 | Very high | 96 | Very high | 85 Ų | 85 | 75.4 Ų | 75.4 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | trans | -67.2 | 122.5 | 175.1 | 27.2 | -32.9 | 0 | 0 | 0 | 110.2 | W129 | W129-P131 VanDerWaalsContact CH2-CA 3.44Å; W129-P131 HydrophobicContact CH2-CB 3.63Å; W129-P131 HydrophobicContact CH2-CG 4.41Å; W129-P131 HydrophobicContact CZ2-CB 4.28Å; W129-P131 HydrophobicContact CZ3-CB 4.08Å; W129-P131 HydrophobicContact CZ3-CG 4.39Å | ||
| 132 | I | 98.1 | Very high | 96 | Very high | 18 Ų | 18 | 73.2 Ų | 73.2 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | trans | -117.9 | 128.4 | 169.2 | -63.1 | 180 | 0 | 0 | 0 | 107.9 | Y88 I93 L111 Y115 Q130 V134 | Y88-I132 HydrophobicContact CD1-CG1 4.39Å; Y88-I132 HydrophobicContact CD2-CD1 3.76Å; Y88-I132 HydrophobicContact CD2-CG1 4.06Å; Y88-I132 HydrophobicContact CD2-CG2 4.15Å; Y88-I132 HydrophobicContact CE2-CD1 4.34Å; Y88-I132 HydrophobicContact CE2-CG1 4.27Å; Y88-I132 HydrophobicContact CE2-CG2 3.64Å; Y88-I132 HydrophobicContact CG-CD1 3.98Å; Y88-I132 HydrophobicContact CG-CG1 4.12Å; I93-I132 HydrophobicContact CD1-CG2 4.2Å; L111-I132 HydrophobicContact CB-CB 4.4Å; L111-I132 HydrophobicContact CB-CD1 4.27Å; L111-I132 HydrophobicContact CD1-CB 3.86Å; L111-I132 HydrophobicContact CD1-CG2 3.77Å; L111-I132 HydrophobicContact CD2-CD1 4.46Å; L111-I132 HydrophobicContact CD2-CG2 4.14Å; L111-I132 HydrophobicContact CG-CG2 4.44Å; Y115-I132 VanDerWaalsContact CB-CD1 3.41Å; Y115-I132 HydrophobicContact CD2-CD1 3.77Å; Y115-I132 HydrophobicContact CG-CD1 3.82Å; Q130-I132 HydrophobicContact CG-CD1 4.47Å; Q130-I132 HydrophobicContact CG-CG1 4.31Å; Q130-I132 PolarHBondContact O-N 3.1Å; I132-V134 PolarHBondContact O-N 3.16Å | ||
| 133 | P | 98.2 | Very high | 95.8 | Very high | 64 Ų | 64 | 74.5 Ų | 74.5 | 42% | 0.416 | 38% | 0.382 | S | S | . | . | trans | -58.4 | 128.8 | -177.9 | -25.6 | 35 | 0 | 0 | 0 | 112.7 | Y88 | Y88-P133 WeakPolarHBondContact OH-CD 3.47Š| ||
| 134 | V | 98.7 | Very high | 95.7 | Very high | 42 Ų | 42 | 69.5 Ų | 69.5 | 26% | 0.255 | 37% | 0.365 | S | S | . | . | trans | -116.9 | 114.7 | 169.1 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | V95 L104 A107 L111 I132 | V95-V134 HydrophobicContact CB-CG2 4.48Å; V95-V134 HydrophobicContact CG1-CG1 4.31Å; V95-V134 HydrophobicContact CG1-CG2 4.08Å; L104-V134 HydrophobicContact CD2-CG1 4.01Å; A107-V134 HydrophobicContact CB-CG1 3.85Å; A107-V134 HydrophobicContact CB-CG2 3.87Å; L111-V134 HydrophobicContact CD1-CG2 3.62Å; I132-V134 PolarHBondContact O-N 3.16Å | ||
| 135 | H | 98.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 67.3 Ų | 67.3 | 39% | 0.389 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -86.4 | 151.6 | 179.9 | -59.5 | -80.2 | 0 | 0 | 0 | 110.8 | Y94 V95 R96 S97 | Y94-H135 AromaticContact CD2-CD2 3.79Å; Y94-H135 HydrophobicContact CE2-CB 4.34Å; Y94-H135 AromaticContact CE2-CD2 3.25Å; Y94-H135 WeakPolarHBondContact CE2-CD2 3.43Å; Y94-H135 AromaticContact CE2-CG 3.84Å; Y94-H135 AromaticContact CE2-NE2 3.78Å; Y94-H135 AromaticContact CZ-CD2 3.87Å; V95-H135 PolarHBondContact O-CD2 3.34Å; V95-H135 PolarHBondContact O-N 3.26Å; R96-H135 CarbonylContact C-O 3.56Å; R96-H135 WeakPolarHBondContact CA-O 3.34Å; R96-H135 WeakPolarHBondContact CD-O 3.45Å; S97-H135 PolarHBondContact N-O 2.85Å |
| 136 | T | 98.2 | Very high | 95.6 | Very high | 52 Ų | 52 | 64.3 Ų | 64.3 | 32% | 0.319 | 33% | 0.328 | S | S | . | . | trans | -148.8 | 164.1 | 175.3 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | R96 S97 D99 L104 | R96-T136 VanDerWaalsContact CZ-C 3.44Å; R96-T136 PolarHBondContact NH1-O 3.49Å; R96-T136 VanDerWaalsContact NH1-O 3.12Å; S97-T136 PolarHBondContact O-OG1 2.94Å; D99-T136 WeakPolarHBondContact CA-OG1 3.3Å; D99-T136 WeakPolarHBondContact CB-OG1 3.46Å; D99-T136 PolarHBondContact N-OG1 2.74Å; L104-T136 HydrophobicContact CD2-CG2 4.45Å | ||
| 137 | V | 97.6 | Very high | 95.3 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | trans | -130.8 | 161.4 | 161.5 | -68.5 | 0 | 0 | 0 | 0 | 107.8 | R96 D99 T139 D141 D142 | R96-V137 VanDerWaalsContact NH2-CB 3.26Å; D99-V137 VanDerWaalsContact CB-O 3.28Å; D99-V137 WeakPolarHBondContact CB-O 3.28Å; V137-T139 PolarHBondContact O-N 3.23Å; V137-D141 HydrophobicContact CG2-CB 4.41Å; V137-D142 HydrophobicContact CG2-CB 3.68Å | ||
| 138 | S | 97.5 | Very high | 94.9 | Very high | 45 Ų | 45 | 56.8 Ų | 56.8 | 32% | 0.315 | 31% | 0.307 | S | S | . | . | trans | -43 | 138.2 | 171.6 | 162.7 | 0 | 0 | 0 | 0 | 111.7 | H140 D141 D142 | S138-H140 PolarHBondContact O-N 3.24Å; S138-H140 PolarHBondContact OG-N 3.17Å; S138-H140 PolarHBondContact OG-ND1 2.9Å; S138-D141 WeakPolarHBondContact CB-OD2 3.35Å; S138-D141 PolarHBondContact O-N 2.98Å; S138-D142 PolarHBondContact O-N 3.06Å; S138-D142 VanDerWaalsContact O-N 3.15Å | ||
| 139 | T | 93.9 | Very high | 94.7 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -20.8 | 176 | 60.6 | 0 | 0 | 0 | 0 | 114 | D99 Y100 V137 K146 H149 | D99-T139 HydrophobicContact CB-CG2 3.84Å; D99-T139 VanDerWaalsContact O-CG2 3.22Å; D99-T139 WeakPolarHBondContact O-CG2 3.48Å; Y100-T139 HydrophobicContact CD2-CG2 4.44Å; Y100-T139 HydrophobicContact CE1-CG2 4.5Å; Y100-T139 HydrophobicContact CE2-CG2 3.99Å; V137-T139 PolarHBondContact O-N 3.23Å; T139-K146 WeakPolarHBondContact O-CD 3.48Å; T139-K146 WeakPolarHBondContact O-CE 3.43Å; T139-K146 PolarHBondContact O-NZ 3.42Å; T139-H149 PolarHBondContact O-CE1 3.48Å |
| 140 | H | 93 | Very high | 94.3 | Very high | 132 Ų | 132 | 54.1 Ų | 54.1 | 61% | 0.611 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -29.9 | 176.9 | -60.1 | 86.6 | 0 | 0 | 0 | 112.2 | S138 H149 | S138-H140 PolarHBondContact O-N 3.24Å; S138-H140 PolarHBondContact OG-N 3.17Å; S138-H140 PolarHBondContact OG-ND1 2.9Å; H140-H149 PolarHBondContact O-CE1 3.31Å |
| 141 | D | 93.1 | Very high | 93.9 | Very high | 101 Ų | 101 | 53.3 Ų | 53.3 | 54% | 0.54 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -2.3 | -175 | -52.2 | -50.5 | 0 | 0 | 0 | 112.5 | V137 S138 Y143 | V137-D141 HydrophobicContact CG2-CB 4.41Å; S138-D141 WeakPolarHBondContact CB-OD2 3.35Å; S138-D141 PolarHBondContact O-N 2.98Å; D141-Y143 VanDerWaalsContact C-N 3.32Å; D141-Y143 WeakPolarHBondContact O-CD2 3.4Å; D141-Y143 PolarHBondContact O-N 3.23Å |
| 142 | D | 95.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.011 | 29% | 0.291 | C | S | . | . | trans | -82.7 | 69.1 | -176.6 | -167.1 | -3.6 | 0 | 0 | 0 | 112.7 | T98 V137 S138 L144 L145 K146 H149 | T98-D142 WeakPolarHBondContact CG2-OD2 3.44Å; V137-D142 HydrophobicContact CG2-CB 3.68Å; S138-D142 PolarHBondContact O-N 3.06Å; S138-D142 VanDerWaalsContact O-N 3.15Å; D142-L144 PolarHBondContact O-N 3.43Å; D142-L144 PolarHBondContact OD1-N 3.08Å; D142-L145 PolarHBondContact OD1-N 3.34Å; D142-K146 HydrophobicContact CB-CB 4.13Å; D142-K146 WeakPolarHBondContact O-CB 3.22Å; D142-K146 PolarHBondContact O-N 3.48Å; D142-H149 VanDerWaalsContact C-NE2 3.32Å; D142-H149 PolarHBondContact O-NE2 3.37Å | ||
| 143 | Y | 92.4 | Very high | 93.3 | Very high | 86 Ų | 86 | 54 Ų | 54 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -5.1 | 175 | -59.6 | -73.2 | 0 | 0 | 0 | 113.9 | D141 H149 H258 | D141-Y143 VanDerWaalsContact C-N 3.32Å; D141-Y143 WeakPolarHBondContact O-CD2 3.4Å; D141-Y143 PolarHBondContact O-N 3.23Å; Y143-H149 HydrophobicContact CD1-CB 4.34Å; Y143-H149 AromaticContact CD1-CD2 3.76Å; Y143-H149 AromaticContact CD1-CG 3.91Å; Y143-H149 AromaticContact CD1-NE2 3.94Å; Y143-H149 HydrophobicContact CE1-CB 4.18Å; Y143-H149 AromaticContact CE1-CG 3.9Å; Y143-H149 AromaticContact CE1-ND1 3.94Å; Y143-H258 WeakPolarHBondContact O-CB 3.24Å |
| 144 | L | 95 | Very high | 92.8 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 19% | 0.194 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -49.4 | -178.6 | -176.6 | 69 | 0 | 0 | 0 | 112.1 | D142 L259 T262 Y284 | D142-L144 PolarHBondContact O-N 3.43Å; D142-L144 PolarHBondContact OD1-N 3.08Å; L144-L259 HydrophobicContact CD1-CB 4.2Å; L144-L259 HydrophobicContact CD1-CD1 3.9Å; L144-L259 HydrophobicContact CG-CD1 4.29Å; L144-T262 HydrophobicContact CD1-CG2 4.23Å; L144-Y284 HydrophobicContact CD2-CE1 4.05Å |
| 145 | L | 96 | Very high | 92.2 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -20.8 | -170.7 | -60.9 | -177.2 | 0 | 0 | 0 | 114.3 | L7 R96 T98 D142 L259 Y284 A286 T290 | L7-L145 HydrophobicContact CD1-CD2 4.19Å; R96-L145 HydrophobicContact CB-CD1 4.4Å; R96-L145 HydrophobicContact CG-CD1 3.66Å; T98-L145 HydrophobicContact CG2-CB 3.51Å; T98-L145 HydrophobicContact CG2-CD1 4.48Å; D142-L145 PolarHBondContact OD1-N 3.34Å; L145-L259 HydrophobicContact CD2-CD1 4.24Å; L145-L259 HydrophobicContact CD2-CD2 4.44Å; L145-Y284 HydrophobicContact CD1-CD1 3.99Å; L145-Y284 HydrophobicContact CD2-CD1 3.76Å; L145-Y284 HydrophobicContact CD2-CG 3.83Å; L145-Y284 HydrophobicContact CG-CD1 4.35Å; L145-A286 HydrophobicContact CB-CB 4.41Å; L145-T290 WeakPolarHBondContact O-CG2 3.31Å; L145-T290 PolarHBondContact O-OG1 2.93Å |
| 146 | K | 91.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 53.4 Ų | 53.4 | 17% | 0.174 | 30% | 0.303 | C | S | . | . | trans | -91.2 | 128.2 | 177.4 | -174.9 | -167.3 | 171.3 | -152.3 | 0 | 110.3 | T139 D142 H149 | T139-K146 WeakPolarHBondContact O-CD 3.48Å; T139-K146 WeakPolarHBondContact O-CE 3.43Å; T139-K146 PolarHBondContact O-NZ 3.42Å; D142-K146 HydrophobicContact CB-CB 4.13Å; D142-K146 WeakPolarHBondContact O-CB 3.22Å; D142-K146 PolarHBondContact O-N 3.48Å; K146-H149 PolarHBondContact O-CD2 2.99Å; K146-H149 PolarHBondContact O-NE2 3.4Å | ||
| 147 | V | 89.1 | Confident | 91 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | trans | -95.7 | 153.8 | 174 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | H255 A289 | V147-H255 HydrophobicContact CG1-CB 3.92Å; V147-H255 HydrophobicContact CG2-CB 4.37Å; V147-A289 HydrophobicContact CB-CB 4.34Å | ||
| 148 | G | 85.7 | Confident | 90.2 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 57% | 0.567 | 29% | 0.293 | S | S | * | . | trans | 88.9 | 24.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 149 | H | 87.8 | Confident | 89.5 | Confident | 20 Ų | 20 | 57 Ų | 57 | 9% | 0.093 | 31% | 0.306 | C | S | . | . | trans | -68.2 | 143.6 | 162.2 | -66.7 | -75.8 | 0 | 0 | 0 | 110.1 | T139 H140 D142 Y143 K146 | T139-H149 PolarHBondContact O-CE1 3.48Å; H140-H149 PolarHBondContact O-CE1 3.31Å; D142-H149 VanDerWaalsContact C-NE2 3.32Å; D142-H149 PolarHBondContact O-NE2 3.37Å; Y143-H149 HydrophobicContact CD1-CB 4.34Å; Y143-H149 AromaticContact CD1-CD2 3.76Å; Y143-H149 AromaticContact CD1-CG 3.91Å; Y143-H149 AromaticContact CD1-NE2 3.94Å; Y143-H149 HydrophobicContact CE1-CB 4.18Å; Y143-H149 AromaticContact CE1-CG 3.9Å; Y143-H149 AromaticContact CE1-ND1 3.94Å; K146-H149 PolarHBondContact O-CD2 2.99Å; K146-H149 PolarHBondContact O-NE2 3.4Å | ||
| 150 | E | 87.6 | Confident | 89 | Confident | 152 Ų | 152 | 62 Ų | 62 | 71% | 0.71 | 33% | 0.328 | S | S | * | . | trans | -58.7 | 143 | 179 | -64.8 | -179.5 | 176 | 0 | 0 | 111.2 | D155 R370 | E150-D155 WeakPolarHBondContact CA-OD2 3.38Å; E150-R370 PolarHBondContact O-NH2 3.05Å | ||
| 151 | C | 89.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -143 | 82.2 | 174.6 | -167.7 | 0 | 0 | 0 | 0 | 108.1 | A153 F154 D155 I254 C374 | C151-A153 PolarHBondContact O-N 3.38Å; C151-F154 PolarHBondContact O-N 3.36Å; C151-D155 VanDerWaalsContact N-CG 3.35Å; C151-D155 PolarHBondContact N-OD1 2.81Å; C151-D155 PolarHBondContact N-OD2 2.94Å; C151-D155 WeakPolarHBondContact O-CB 3.4Å; C151-D155 PolarHBondContact O-N 2.99Å; C151-I254 HydrophobicContact CB-CD1 4.47Å; C151-I254 HydrophobicContact CB-CG2 3.79Å; C151-I254 VanDerWaalsContact SG-CD1 3.57Å; C151-C374 HydrophobicContact CB-CB 3.92Å; C151-C374 WeakPolarHBondContact CB-SG 3.36Å; C151-C374 WeakPolarHBondContact SG-CA 3.24Å; C151-C374 WeakPolarHBondContact SG-CB 3.3Å; C151-C374 CovalentContact SG-SG 2.05Å; C151-C374 PolarHBondContact SG-SG 2.91Å | ||
| 152 | P | 91.7 | Very high | 87.7 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -34.2 | -173.7 | -31.7 | 34.6 | 0 | 0 | 0 | 115.1 | F154 P156 C374 L376 | P152-F154 VanDerWaalsContact C-N 3.33Å; P152-F154 PolarHBondContact O-N 2.83Å; P152-P156 VanDerWaalsContact O-CD 3.32Å; P152-P156 WeakPolarHBondContact O-CD 3.44Å; P152-C374 WeakPolarHBondContact CD-O 3.23Å; P152-L376 HydrophobicContact CG-CD2 4.23Å |
| 153 | A | 90.1 | Very high | 87.1 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -30 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | C151 E373 | C151-A153 PolarHBondContact O-N 3.38Å; A153-E373 WeakPolarHBondContact CB-O 3.27Å |
| 154 | F | 86.4 | Confident | 86.6 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 17% | 0.171 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -21 | -172.4 | -69.2 | -90.4 | 0 | 0 | 0 | 114.5 | C151 P152 P156 M157 F158 E250 I254 E373 | C151-F154 PolarHBondContact O-N 3.36Å; P152-F154 VanDerWaalsContact C-N 3.33Å; P152-F154 PolarHBondContact O-N 2.83Å; F154-P156 VanDerWaalsContact C-CD 3.41Å; F154-P156 VanDerWaalsContact C-N 3.32Å; F154-M157 HydrophobicContact CD1-CE 3.77Å; F154-M157 WeakPolarHBondContact O-CB 3.38Å; F154-M157 PolarHBondContact O-N 2.87Å; F154-F158 HydrophobicContact CB-CD2 4.02Å; F154-F158 HydrophobicContact CB-CE2 3.33Å; F154-F158 HydrophobicContact CB-CZ 3.62Å; F154-F158 HydrophobicContact CD1-CZ 4.11Å; F154-F158 HydrophobicContact CG-CE2 4.29Å; F154-F158 HydrophobicContact CG-CZ 4.17Å; F154-F158 WeakPolarHBondContact O-CD2 3.4Å; F154-F158 PolarHBondContact O-N 3Å; F154-E250 HydrophobicContact CD1-CB 3.99Å; F154-E250 HydrophobicContact CE1-CB 3.57Å; F154-E250 HydrophobicContact CE1-CG 3.74Å; F154-E250 HydrophobicContact CZ-CB 4.23Å; F154-E250 HydrophobicContact CZ-CG 4.32Å; F154-I254 HydrophobicContact CB-CD1 3.61Å; F154-I254 HydrophobicContact CD1-CD1 4.12Å; F154-I254 HydrophobicContact CD2-CD1 3.42Å; F154-I254 VanDerWaalsContact CD2-CD1 3.42Å; F154-I254 HydrophobicContact CD2-CG1 4.4Å; F154-I254 HydrophobicContact CE2-CD1 4.06Å; F154-I254 HydrophobicContact CG-CD1 3.44Å; F154-I254 VanDerWaalsContact CG-CD1 3.44Å; F154-E373 HydrophobicContact CE2-CG 3.66Å; F154-E373 HydrophobicContact CZ-CG 4.22Å |
| 155 | D | 86.7 | Confident | 85.9 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -53 | -40.1 | 179.3 | -72.4 | -14.8 | 0 | 0 | 0 | 113.6 | E150 C151 M157 F158 K159 | E150-D155 WeakPolarHBondContact CA-OD2 3.38Å; C151-D155 VanDerWaalsContact N-CG 3.35Å; C151-D155 PolarHBondContact N-OD1 2.81Å; C151-D155 PolarHBondContact N-OD2 2.94Å; C151-D155 WeakPolarHBondContact O-CB 3.4Å; C151-D155 PolarHBondContact O-N 2.99Å; D155-M157 PolarHBondContact O-N 2.98Å; D155-F158 PolarHBondContact O-N 2.75Å; D155-K159 VanDerWaalsContact O-CB 3.23Å; D155-K159 WeakPolarHBondContact O-CB 3.22Å; D155-K159 PolarHBondContact O-N 2.82Å |
| 156 | P | 87.7 | Confident | 85.3 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 54% | 0.539 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.8 | -24.4 | 35.3 | 0 | 0 | 0 | 112.9 | P152 F154 K159 E160 | P152-P156 VanDerWaalsContact O-CD 3.32Å; P152-P156 WeakPolarHBondContact O-CD 3.44Å; F154-P156 VanDerWaalsContact C-CD 3.41Å; F154-P156 VanDerWaalsContact C-N 3.32Å; P156-K159 PolarHBondContact O-N 3.39Å; P156-E160 WeakPolarHBondContact O-CB 3.26Å; P156-E160 PolarHBondContact O-N 3.27Å |
| 157 | M | 84.3 | Confident | 85 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | -179.5 | -178.5 | -168 | 68.2 | 0 | 0 | 111.3 | F154 D155 K159 E160 A161 L248 | F154-M157 HydrophobicContact CD1-CE 3.77Å; F154-M157 WeakPolarHBondContact O-CB 3.38Å; F154-M157 PolarHBondContact O-N 2.87Å; D155-M157 PolarHBondContact O-N 2.98Å; M157-K159 VanDerWaalsContact C-N 3.33Å; M157-K159 PolarHBondContact O-N 3.05Å; M157-E160 PolarHBondContact O-N 3.17Å; M157-A161 WeakPolarHBondContact O-CB 3.35Å; M157-A161 PolarHBondContact O-N 2.8Å; M157-A161 VanDerWaalsContact O-N 3.08Å; M157-L248 HydrophobicContact CE-CD1 3.35Å; M157-L248 HydrophobicContact CG-CD1 4.39Å; M157-L248 HydrophobicContact SD-CD1 3.64Å |
| 158 | F | 79.9 | Confident | 84.8 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 9% | 0.088 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 176.7 | -60.3 | -37.7 | 0 | 0 | 0 | 112.2 | F154 D155 N162 Q251 I254 | F154-F158 HydrophobicContact CB-CD2 4.02Å; F154-F158 HydrophobicContact CB-CE2 3.33Å; F154-F158 HydrophobicContact CB-CZ 3.62Å; F154-F158 HydrophobicContact CD1-CZ 4.11Å; F154-F158 HydrophobicContact CG-CE2 4.29Å; F154-F158 HydrophobicContact CG-CZ 4.17Å; F154-F158 WeakPolarHBondContact O-CD2 3.4Å; F154-F158 PolarHBondContact O-N 3Å; D155-F158 PolarHBondContact O-N 2.75Å; F158-N162 VanDerWaalsContact O-CB 3.27Å; F158-N162 WeakPolarHBondContact O-CB 3.36Å; F158-N162 PolarHBondContact O-N 2.89Å; F158-Q251 HydrophobicContact CD1-CB 4.07Å; F158-Q251 HydrophobicContact CD1-CG 4.04Å; F158-Q251 HydrophobicContact CD2-CG 3.95Å; F158-Q251 HydrophobicContact CE1-CB 3.35Å; F158-Q251 HydrophobicContact CE1-CG 3.73Å; F158-Q251 HydrophobicContact CE2-CB 3.9Å; F158-Q251 HydrophobicContact CE2-CG 3.58Å; F158-Q251 HydrophobicContact CG-CG 4.19Å; F158-Q251 HydrophobicContact CZ-CB 3.25Å; F158-Q251 HydrophobicContact CZ-CG 3.5Å; F158-Q251 VanDerWaalsContact CZ-CG 3.5Å; F158-I254 HydrophobicContact CE2-CD1 3.74Å; F158-I254 HydrophobicContact CZ-CD1 3.84Å |
| 159 | K | 82.3 | Confident | 84.7 | Confident | 136 Ų | 136 | 63.4 Ų | 63.4 | 59% | 0.591 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.2 | -48.4 | 177 | -177.5 | 177.7 | 177.2 | -178.4 | 0 | 111.5 | D155 P156 M157 N162 D163 | D155-K159 VanDerWaalsContact O-CB 3.23Å; D155-K159 WeakPolarHBondContact O-CB 3.22Å; D155-K159 PolarHBondContact O-N 2.82Å; P156-K159 PolarHBondContact O-N 3.39Å; M157-K159 VanDerWaalsContact C-N 3.33Å; M157-K159 PolarHBondContact O-N 3.05Å; K159-N162 PolarHBondContact O-N 2.91Å; K159-D163 VanDerWaalsContact O-CB 3.3Å; K159-D163 WeakPolarHBondContact O-CB 3.3Å; K159-D163 VanDerWaalsContact O-CG 3.22Å; K159-D163 PolarHBondContact O-N 3.23Å |
| 160 | E | 83.7 | Confident | 84.8 | Confident | 130 Ų | 130 | 63.7 Ų | 63.7 | 61% | 0.607 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.3 | -50.8 | 178.9 | -177.8 | 175.8 | -168 | 0 | 0 | 111.4 | P156 M157 N162 D163 D164 | P156-E160 WeakPolarHBondContact O-CB 3.26Å; P156-E160 PolarHBondContact O-N 3.27Å; M157-E160 PolarHBondContact O-N 3.17Å; E160-N162 PolarHBondContact O-N 3.35Å; E160-D163 PolarHBondContact O-N 3.4Å; E160-D164 WeakPolarHBondContact O-CB 3.31Å; E160-D164 PolarHBondContact O-N 3.47Å |
| 161 | A | 78.9 | Confident | 85 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 22% | 0.223 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.2 | -53.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M157 D163 D164 F165 L245 | M157-A161 WeakPolarHBondContact O-CB 3.35Å; M157-A161 PolarHBondContact O-N 2.8Å; M157-A161 VanDerWaalsContact O-N 3.08Å; A161-D163 VanDerWaalsContact C-N 3.35Å; A161-D163 PolarHBondContact O-N 3.31Å; A161-D164 PolarHBondContact O-N 3.07Å; A161-F165 PolarHBondContact O-N 3.43Å; A161-L245 HydrophobicContact CB-CB 4.07Å; A161-L245 HydrophobicContact CB-CD1 3.86Å; A161-L245 WeakPolarHBondContact O-CD1 3.21Å |
| 162 | N | 79.4 | Confident | 85.1 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 179.7 | 174.3 | 87.8 | 0 | 0 | 0 | 112.5 | F158 K159 E160 F165 V166 S244 | F158-N162 VanDerWaalsContact O-CB 3.27Å; F158-N162 WeakPolarHBondContact O-CB 3.36Å; F158-N162 PolarHBondContact O-N 2.89Å; K159-N162 PolarHBondContact O-N 2.91Å; E160-N162 PolarHBondContact O-N 3.35Å; N162-F165 PolarHBondContact O-N 3.42Å; N162-V166 WeakPolarHBondContact O-CB 3.49Å; N162-V166 VanDerWaalsContact O-CG2 3.24Å; N162-V166 WeakPolarHBondContact O-CG2 3.49Å; N162-V166 PolarHBondContact O-N 3.2Å; N162-S244 VanDerWaalsContact OD1-CB 3.27Å; N162-S244 WeakPolarHBondContact OD1-CB 3.19Å; N162-S244 PolarHBondContact OD1-OG 2.83Å |
| 163 | D | 82.4 | Confident | 85.2 | Confident | 62 Ų | 62 | 65.7 Ų | 65.7 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | -179 | -73.2 | -9.3 | 0 | 0 | 0 | 110.7 | K159 E160 A161 V166 N167 | K159-D163 VanDerWaalsContact O-CB 3.3Å; K159-D163 WeakPolarHBondContact O-CB 3.3Å; K159-D163 VanDerWaalsContact O-CG 3.22Å; K159-D163 PolarHBondContact O-N 3.23Å; E160-D163 PolarHBondContact O-N 3.4Å; A161-D163 VanDerWaalsContact C-N 3.35Å; A161-D163 PolarHBondContact O-N 3.31Å; D163-V166 PolarHBondContact O-N 3.34Å; D163-N167 WeakPolarHBondContact O-CB 3.21Å; D163-N167 PolarHBondContact O-N 3.5Å; D163-N167 PolarHBondContact O-ND2 3.01Å |
| 164 | D | 83.1 | Confident | 85.4 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 175.3 | -82.2 | -9.6 | 0 | 0 | 0 | 112.4 | E160 A161 N168 | E160-D164 WeakPolarHBondContact O-CB 3.31Å; E160-D164 PolarHBondContact O-N 3.47Å; A161-D164 PolarHBondContact O-N 3.07Å; D164-N168 WeakPolarHBondContact O-CB 3.37Å; D164-N168 VanDerWaalsContact O-CG 3.28Å; D164-N168 PolarHBondContact O-N 2.95Å; D164-N168 PolarHBondContact O-ND2 2.96Å; D164-N168 VanDerWaalsContact O-ND2 3.15Å |
| 165 | F | 80.9 | Confident | 85.9 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 31% | 0.311 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.4 | -50.2 | 176.4 | 178.8 | -88.9 | 0 | 0 | 0 | 111.5 | A161 N162 N168 L169 V239 L245 | A161-F165 PolarHBondContact O-N 3.43Å; N162-F165 PolarHBondContact O-N 3.42Å; F165-N168 PolarHBondContact O-N 2.79Å; F165-L169 HydrophobicContact CE1-CD2 4.38Å; F165-L169 WeakPolarHBondContact O-CB 3.28Å; F165-L169 PolarHBondContact O-N 2.03Å; F165-V239 HydrophobicContact CD1-CG1 4.18Å; F165-V239 HydrophobicContact CE1-CB 4.4Å; F165-V239 HydrophobicContact CE1-CG1 3.5Å; F165-V239 HydrophobicContact CE1-CG2 3.96Å; F165-V239 HydrophobicContact CZ-CG1 4.36Å; F165-L245 HydrophobicContact CB-CD1 3.71Å; F165-L245 HydrophobicContact CB-CG 4.26Å; F165-L245 HydrophobicContact CD2-CG 4.45Å; F165-L245 HydrophobicContact CG-CD1 4.49Å |
| 166 | V | 82 | Confident | 86.4 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | -178.6 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | N162 D163 N168 L169 Y170 A191 | N162-V166 WeakPolarHBondContact O-CB 3.49Å; N162-V166 VanDerWaalsContact O-CG2 3.24Å; N162-V166 WeakPolarHBondContact O-CG2 3.49Å; N162-V166 PolarHBondContact O-N 3.2Å; D163-V166 PolarHBondContact O-N 3.34Å; V166-N168 VanDerWaalsContact C-N 3.34Å; V166-N168 PolarHBondContact O-N 3.31Å; V166-L169 PolarHBondContact O-N 2.82Å; V166-Y170 HydrophobicContact CG1-CD1 4.29Å; V166-Y170 HydrophobicContact CG1-CD2 3.78Å; V166-Y170 HydrophobicContact CG1-CE1 4.13Å; V166-Y170 HydrophobicContact CG1-CE2 3.61Å; V166-Y170 HydrophobicContact CG1-CG 4.11Å; V166-Y170 VanDerWaalsContact O-CB 3.3Å; V166-Y170 WeakPolarHBondContact O-CB 3.18Å; V166-Y170 PolarHBondContact O-N 2.9Å; V166-A191 HydrophobicContact CG1-CB 4.14Å; V166-A191 HydrophobicContact CG2-CB 4.22Å |
| 167 | N | 85 | Confident | 86.8 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 47% | 0.465 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | -179.7 | -73.2 | -29.6 | 0 | 0 | 0 | 111.3 | D163 Y170 K171 | D163-N167 WeakPolarHBondContact O-CB 3.21Å; D163-N167 PolarHBondContact O-N 3.5Å; D163-N167 PolarHBondContact O-ND2 3.01Å; N167-Y170 PolarHBondContact O-N 3.05Å; N167-K171 VanDerWaalsContact O-CG 3.27Å; N167-K171 WeakPolarHBondContact O-CG 3.46Å; N167-K171 PolarHBondContact O-N 3.2Å; N167-K171 VanDerWaalsContact O-N 3.14Å |
| 168 | N | 85.5 | Confident | 87.4 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 176.5 | -72.4 | -28.5 | 0 | 0 | 0 | 111.9 | D164 F165 V166 Y170 K171 | D164-N168 WeakPolarHBondContact O-CB 3.37Å; D164-N168 VanDerWaalsContact O-CG 3.28Å; D164-N168 PolarHBondContact O-N 2.95Å; D164-N168 PolarHBondContact O-ND2 2.96Å; D164-N168 VanDerWaalsContact O-ND2 3.15Å; F165-N168 PolarHBondContact O-N 2.79Å; V166-N168 VanDerWaalsContact C-N 3.34Å; V166-N168 PolarHBondContact O-N 3.31Å; N168-Y170 PolarHBondContact O-N 2.95Å; N168-K171 PolarHBondContact OD1-NZ 3.26Å |
| 169 | L | 85.1 | Confident | 88.2 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 20% | 0.199 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 174.6 | -179.9 | 64.7 | 0 | 0 | 0 | 111.4 | F165 V166 K171 E172 Y173 L237 V239 | F165-L169 HydrophobicContact CE1-CD2 4.38Å; F165-L169 WeakPolarHBondContact O-CB 3.28Å; F165-L169 PolarHBondContact O-N 2.03Å; V166-L169 PolarHBondContact O-N 2.82Å; L169-K171 VanDerWaalsContact C-N 3.34Å; L169-K171 PolarHBondContact O-N 2.87Å; L169-E172 PolarHBondContact O-N 2.87Å; L169-Y173 HydrophobicContact CD1-CE2 3.97Å; L169-Y173 VanDerWaalsContact O-CD2 3.23Å; L169-Y173 WeakPolarHBondContact O-CD2 3.46Å; L169-L237 HydrophobicContact CD1-CD2 4.13Å; L169-L237 HydrophobicContact CD2-CD2 3.91Å; L169-L237 HydrophobicContact CG-CD2 3.91Å; L169-V239 HydrophobicContact CD2-CG2 3.23Å |
| 170 | Y | 89.3 | Confident | 89 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.2 | -24.7 | -174.1 | -77.4 | 7.7 | 0 | 0 | 0 | 114.1 | V166 N167 N168 E172 Y173 E174 L177 A191 L194 | V166-Y170 HydrophobicContact CG1-CD1 4.29Å; V166-Y170 HydrophobicContact CG1-CD2 3.78Å; V166-Y170 HydrophobicContact CG1-CE1 4.13Å; V166-Y170 HydrophobicContact CG1-CE2 3.61Å; V166-Y170 HydrophobicContact CG1-CG 4.11Å; V166-Y170 VanDerWaalsContact O-CB 3.3Å; V166-Y170 WeakPolarHBondContact O-CB 3.18Å; V166-Y170 PolarHBondContact O-N 2.9Å; N167-Y170 PolarHBondContact O-N 3.05Å; N168-Y170 PolarHBondContact O-N 2.95Å; Y170-E172 PolarHBondContact O-N 3.44Å; Y170-Y173 CarbonylContact O-C 3.44Å; Y170-Y173 PolarHBondContact O-N 3.1Å; Y170-E174 PolarHBondContact O-N 3.37Å; Y170-L177 HydrophobicContact CD1-CD1 3.91Å; Y170-L177 HydrophobicContact CD2-CD1 3.68Å; Y170-L177 HydrophobicContact CE2-CD1 4.34Å; Y170-L177 HydrophobicContact CG-CD1 3.44Å; Y170-L177 VanDerWaalsContact CG-CD1 3.44Å; Y170-A191 WeakPolarHBondContact OH-CA 3.15Å; Y170-L194 HydrophobicContact CE1-CD2 3.83Å; Y170-L194 WeakPolarHBondContact OH-CB 3.35Å; Y170-L194 WeakPolarHBondContact OH-CD2 3.42Å |
| 171 | K | 91.3 | Very high | 89.7 | Confident | 142 Ų | 142 | 60.8 Ų | 60.8 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.2 | -39.9 | 174.3 | -80.2 | 167.1 | -169.2 | 167.1 | 0 | 112 | N167 N168 L169 Y173 | N167-K171 VanDerWaalsContact O-CG 3.27Å; N167-K171 WeakPolarHBondContact O-CG 3.46Å; N167-K171 PolarHBondContact O-N 3.2Å; N167-K171 VanDerWaalsContact O-N 3.14Å; N168-K171 PolarHBondContact OD1-NZ 3.26Å; L169-K171 VanDerWaalsContact C-N 3.34Å; L169-K171 PolarHBondContact O-N 2.87Å; K171-Y173 PolarHBondContact O-N 3.5Å |
| 172 | E | 91.3 | Very high | 90.6 | Very high | 117 Ų | 117 | 64.7 Ų | 64.7 | 55% | 0.547 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -17.7 | 179.7 | -62.3 | 179.7 | 179 | 0 | 0 | 112.8 | L169 Y170 P222 | L169-E172 PolarHBondContact O-N 2.87Å; Y170-E172 PolarHBondContact O-N 3.44Å; E172-P222 HydrophobicContact CB-CB 4.2Å; E172-P222 VanDerWaalsContact O-CG 3.27Å; E172-P222 WeakPolarHBondContact O-CG 3.11Å |
| 173 | Y | 94.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 19.7 | -174.6 | -63.5 | -102.8 | 0 | 0 | 0 | 112.6 | L169 Y170 K171 A175 F176 L177 D221 P222 I233 K236 L237 | L169-Y173 HydrophobicContact CD1-CE2 3.97Å; L169-Y173 VanDerWaalsContact O-CD2 3.23Å; L169-Y173 WeakPolarHBondContact O-CD2 3.46Å; Y170-Y173 CarbonylContact O-C 3.44Å; Y170-Y173 PolarHBondContact O-N 3.1Å; K171-Y173 PolarHBondContact O-N 3.5Å; Y173-A175 PolarHBondContact O-N 2.87Å; Y173-F176 HydrophobicContact CD1-CD1 4.43Å; Y173-F176 CarbonylContact O-C 3.6Å; Y173-F176 WeakPolarHBondContact O-CA 3.25Å; Y173-F176 WeakPolarHBondContact O-CB 3.4Å; Y173-F176 PolarHBondContact O-N 3.19Å; Y173-L177 WeakPolarHBondContact O-CB 3.43Å; Y173-L177 WeakPolarHBondContact O-CG 3.27Å; Y173-L177 PolarHBondContact O-N 3.24Å; Y173-D221 PolarHBondContact OH-OD1 2.96Å; Y173-P222 HydrophobicContact CD1-CG 4.1Å; Y173-P222 VanDerWaalsContact CE1-CD 3.42Å; Y173-P222 HydrophobicContact CE1-CG 4.05Å; Y173-P222 HydrophobicContact CE2-CG 4.46Å; Y173-P222 HydrophobicContact CG-CG 4.39Å; Y173-I233 HydrophobicContact CD1-CG2 3.78Å; Y173-I233 HydrophobicContact CE1-CG2 3.7Å; Y173-K236 PolarHBondContact OH-NZ 2.85Å; Y173-L237 HydrophobicContact CD1-CD1 3.63Å; Y173-L237 HydrophobicContact CD1-CD2 4Å; Y173-L237 HydrophobicContact CD1-CG 4.12Å; Y173-L237 HydrophobicContact CD2-CD1 4.45Å; Y173-L237 HydrophobicContact CD2-CD2 3.75Å; Y173-L237 HydrophobicContact CE1-CD1 4.15Å; Y173-L237 HydrophobicContact CE1-CD2 3.87Å; Y173-L237 HydrophobicContact CE1-CG 4.14Å; Y173-L237 HydrophobicContact CE2-CD2 3.68Å; Y173-L237 HydrophobicContact CG-CD1 3.77Å; Y173-L237 HydrophobicContact CG-CD2 3.91Å; Y173-L237 HydrophobicContact CG-CG 4.36Å |
| 174 | E | 94 | Very high | 92.3 | Very high | 149 Ų | 149 | 61.3 Ų | 61.3 | 70% | 0.696 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -51.6 | -53.8 | -173.3 | -175.6 | 175.2 | -162.7 | 0 | 0 | 112.9 | Y170 F176 L177 E178 | Y170-E174 PolarHBondContact O-N 3.37Å; E174-F176 VanDerWaalsContact C-N 3.3Å; E174-F176 PolarHBondContact O-N 3.31Å; E174-L177 PolarHBondContact O-N 2.87Å; E174-E178 PolarHBondContact O-N 3.21Å |
| 175 | A | 95.9 | Very high | 93 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 52% | 0.521 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.3 | -35 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y173 Y179 W219 | Y173-A175 PolarHBondContact O-N 2.87Å; A175-Y179 PolarHBondContact O-N 3.01Å; A175-Y179 VanDerWaalsContact O-N 3.14Å; A175-W219 HydrophobicContact CB-CZ3 4.35Å |
| 176 | F | 97.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.7 | -44.2 | 176 | 176.1 | -100.2 | 0 | 0 | 0 | 111.4 | Y173 E174 E178 Y179 V180 W219 A230 I233 V234 L237 | Y173-F176 HydrophobicContact CD1-CD1 4.43Å; Y173-F176 CarbonylContact O-C 3.6Å; Y173-F176 WeakPolarHBondContact O-CA 3.25Å; Y173-F176 WeakPolarHBondContact O-CB 3.4Å; Y173-F176 PolarHBondContact O-N 3.19Å; E174-F176 VanDerWaalsContact C-N 3.3Å; E174-F176 PolarHBondContact O-N 3.31Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-E178 PolarHBondContact O-N 3.04Å; F176-Y179 WeakPolarHBondContact O-CB 3.29Å; F176-Y179 PolarHBondContact O-N 3Å; F176-V180 HydrophobicContact CD1-CG2 4.12Å; F176-V180 HydrophobicContact CE1-CG2 3.6Å; F176-V180 HydrophobicContact CE2-CG2 4.14Å; F176-V180 HydrophobicContact CZ-CG2 3.62Å; F176-V180 WeakPolarHBondContact O-CG2 3.4Å; F176-V180 PolarHBondContact O-N 3.33Å; F176-W219 HydrophobicContact CB-CE3 4.17Å; F176-W219 HydrophobicContact CB-CZ3 4.16Å; F176-W219 HydrophobicContact CD2-CB 4.41Å; F176-W219 AromaticContact CD2-CD1 3.9Å; F176-W219 AromaticContact CD2-CD2 3.61Å; F176-W219 HydrophobicContact CD2-CD2 3.61Å; F176-W219 AromaticContact CD2-CE2 3.75Å; F176-W219 HydrophobicContact CD2-CE3 4.05Å; F176-W219 AromaticContact CD2-CG 3.75Å; F176-W219 HydrophobicContact CD2-CG 3.75Å; F176-W219 HydrophobicContact CD2-CZ2 4.33Å; F176-W219 AromaticContact CD2-NE1 3.88Å; F176-W219 AromaticContact CE2-CD1 3.86Å; F176-W219 HydrophobicContact CE2-CD2 4.34Å; F176-W219 HydrophobicContact CE2-CG 4.09Å; F176-W219 AromaticContact CE2-NE1 3.99Å; F176-A230 HydrophobicContact CE2-CB 3.77Å; F176-A230 HydrophobicContact CZ-CB 4.09Å; F176-I233 HydrophobicContact CD1-CG2 3.7Å; F176-I233 HydrophobicContact CD2-CD1 4.37Å; F176-I233 HydrophobicContact CD2-CG2 4.39Å; F176-I233 HydrophobicContact CE1-CB 3.88Å; F176-I233 HydrophobicContact CE1-CG2 3.34Å; F176-I233 HydrophobicContact CE2-CB 4.02Å; F176-I233 HydrophobicContact CE2-CD1 4.15Å; F176-I233 HydrophobicContact CE2-CG2 4.1Å; F176-I233 HydrophobicContact CG-CG2 4.2Å; F176-I233 HydrophobicContact CZ-CB 3.55Å; F176-I233 HydrophobicContact CZ-CG2 3.56Å; F176-V234 HydrophobicContact CE1-CG2 3.95Å; F176-V234 HydrophobicContact CZ-CG2 3.85Å; F176-L237 HydrophobicContact CD1-CD1 3.86Å; F176-L237 HydrophobicContact CE1-CD1 3.94Å |
| 177 | L | 95.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 64.8 Ų | 64.8 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 179.3 | -71.5 | 174.8 | 0 | 0 | 0 | 111.8 | Y170 Y173 E174 V180 K181 M189 L194 L237 | Y170-L177 HydrophobicContact CD1-CD1 3.91Å; Y170-L177 HydrophobicContact CD2-CD1 3.68Å; Y170-L177 HydrophobicContact CE2-CD1 4.34Å; Y170-L177 HydrophobicContact CG-CD1 3.44Å; Y170-L177 VanDerWaalsContact CG-CD1 3.44Å; Y173-L177 WeakPolarHBondContact O-CB 3.43Å; Y173-L177 WeakPolarHBondContact O-CG 3.27Å; Y173-L177 PolarHBondContact O-N 3.24Å; E174-L177 PolarHBondContact O-N 2.87Å; L177-V180 PolarHBondContact O-N 3.05Å; L177-K181 VanDerWaalsContact O-CB 3.29Å; L177-K181 WeakPolarHBondContact O-CB 3.48Å; L177-K181 PolarHBondContact O-N 3.41Å; L177-M189 HydrophobicContact CB-CG 4Å; L177-M189 HydrophobicContact CD2-CG 3.86Å; L177-M189 HydrophobicContact CD2-SD 4.32Å; L177-M189 HydrophobicContact CG-CG 4.38Å; L177-L194 HydrophobicContact CD2-CD1 4.29Å; L177-L237 HydrophobicContact CD2-CD1 4.11Å |
| 178 | E | 97.5 | Very high | 94.8 | Very high | 122 Ų | 122 | 67 Ų | 67 | 57% | 0.57 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 170.3 | -173.5 | 175.7 | -165.9 | 0 | 0 | 111.5 | E174 F176 V180 K181 N182 | E174-E178 PolarHBondContact O-N 3.21Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-E178 PolarHBondContact O-N 3.04Å; E178-V180 PolarHBondContact O-N 3.4Å; E178-K181 WeakPolarHBondContact O-CB 3.37Å; E178-K181 PolarHBondContact O-N 2.86Å; E178-N182 PolarHBondContact O-N 2.84Å; E178-N182 PolarHBondContact O-ND2 2.86Å |
| 179 | Y | 98.2 | Very high | 95 | Very high | 49 Ų | 49 | 64.2 Ų | 64.2 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 173.9 | 169.8 | -106.7 | 0 | 0 | 0 | 112.3 | A175 F176 K181 N182 A183 W214 K217 W219 A230 | A175-Y179 PolarHBondContact O-N 3.01Å; A175-Y179 VanDerWaalsContact O-N 3.14Å; F176-Y179 WeakPolarHBondContact O-CB 3.29Å; F176-Y179 PolarHBondContact O-N 3Å; Y179-K181 VanDerWaalsContact C-N 3.34Å; Y179-K181 PolarHBondContact O-N 3.39Å; Y179-N182 PolarHBondContact O-N 2.83Å; Y179-A183 WeakPolarHBondContact O-CB 3.4Å; Y179-A183 PolarHBondContact O-N 3.27Å; Y179-W214 HydrophobicContact CE1-CE3 4.27Å; Y179-W214 VanDerWaalsContact OH-CA 3.27Å; Y179-W214 WeakPolarHBondContact OH-CA 3.45Å; Y179-W214 WeakPolarHBondContact OH-CB 3.2Å; Y179-W214 PolarHBondContact OH-O 2.76Å; Y179-W214 VanDerWaalsContact OH-O 3.05Å; Y179-K217 HydrophobicContact CD2-CD 4.43Å; Y179-K217 HydrophobicContact CE1-CB 4.28Å; Y179-K217 HydrophobicContact CE1-CD 4.03Å; Y179-K217 HydrophobicContact CE2-CD 3.71Å; Y179-K217 VanDerWaalsContact CZ-CD 3.47Å; Y179-K217 WeakPolarHBondContact OH-CB 3.14Å; Y179-K217 WeakPolarHBondContact OH-CD 3.02Å; Y179-W219 VanDerWaalsContact CB-CZ2 3.5Å; Y179-W219 AromaticContact CD1-CE2 3.91Å; Y179-W219 AromaticContact CD1-CZ2 3.65Å; Y179-W219 HydrophobicContact CD1-CZ2 3.65Å; Y179-W219 AromaticContact CD1-NE1 3.67Å; Y179-W219 HydrophobicContact CD2-CZ2 4.14Å; Y179-W219 HydrophobicContact CE1-CZ2 4.41Å; Y179-W219 AromaticContact CE1-NE1 3.74Å; Y179-W219 HydrophobicContact CG-CH2 4.37Å; Y179-W219 AromaticContact CG-CZ2 3.48Å; Y179-W219 HydrophobicContact CG-CZ2 3.48Å; Y179-W219 VanDerWaalsContact CG-CZ2 3.48Å; Y179-A230 HydrophobicContact CE1-CB 4.16Å |
| 180 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 177.9 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | F176 L177 E178 N182 A183 T184 M189 I197 W214 V234 | F176-V180 HydrophobicContact CD1-CG2 4.12Å; F176-V180 HydrophobicContact CE1-CG2 3.6Å; F176-V180 HydrophobicContact CE2-CG2 4.14Å; F176-V180 HydrophobicContact CZ-CG2 3.62Å; F176-V180 WeakPolarHBondContact O-CG2 3.4Å; F176-V180 PolarHBondContact O-N 3.33Å; L177-V180 PolarHBondContact O-N 3.05Å; E178-V180 PolarHBondContact O-N 3.4Å; V180-N182 PolarHBondContact O-N 3.26Å; V180-A183 PolarHBondContact O-N 3.47Å; V180-T184 HydrophobicContact CG1-CG2 3.97Å; V180-T184 WeakPolarHBondContact O-CB 3.04Å; V180-T184 VanDerWaalsContact O-CG2 3.27Å; V180-T184 WeakPolarHBondContact O-CG2 3.04Å; V180-T184 PolarHBondContact O-N 2.88Å; V180-T184 PolarHBondContact O-OG1 2.7Å; V180-M189 HydrophobicContact CB-CE 3.96Å; V180-M189 HydrophobicContact CG1-CE 3.65Å; V180-I197 HydrophobicContact CG1-CD1 4.15Å; V180-W214 HydrophobicContact CG1-CH2 4.21Å; V180-W214 HydrophobicContact CG1-CZ3 4.27Å; V180-W214 HydrophobicContact CG2-CZ3 4.13Å; V180-V234 HydrophobicContact CG1-CG2 4.21Å; V180-V234 HydrophobicContact CG2-CG2 3.86Å |
| 181 | K | 98.1 | Very high | 95 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.6 | -48.7 | 176.2 | -179.8 | -175.9 | 170.8 | -174.2 | 0 | 111.3 | L177 E178 Y179 T184 G185 V186 K187 M189 | L177-K181 VanDerWaalsContact O-CB 3.29Å; L177-K181 WeakPolarHBondContact O-CB 3.48Å; L177-K181 PolarHBondContact O-N 3.41Å; E178-K181 WeakPolarHBondContact O-CB 3.37Å; E178-K181 PolarHBondContact O-N 2.86Å; Y179-K181 VanDerWaalsContact C-N 3.34Å; Y179-K181 PolarHBondContact O-N 3.39Å; K181-T184 PolarHBondContact O-OG1 2.92Å; K181-G185 PolarHBondContact O-N 3.23Å; K181-V186 HydrophobicContact CB-CG2 4.43Å; K181-V186 HydrophobicContact CG-CG2 4.15Å; K181-V186 WeakPolarHBondContact CG-O 3.44Å; K181-K187 VanDerWaalsContact CE-O 3.23Å; K181-K187 WeakPolarHBondContact CE-O 3.4Å; K181-M189 HydrophobicContact CB-CB 4.4Å; K181-M189 HydrophobicContact CB-CE 3.95Å |
| 182 | N | 98.2 | Very high | 94.7 | Very high | 109 Ų | 109 | 61.7 Ų | 61.7 | 58% | 0.583 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.3 | -41.5 | -180 | -69.6 | -21.6 | 0 | 0 | 0 | 112 | E178 Y179 V180 | E178-N182 PolarHBondContact O-N 2.84Å; E178-N182 PolarHBondContact O-ND2 2.86Å; Y179-N182 PolarHBondContact O-N 2.83Å; V180-N182 PolarHBondContact O-N 3.26Å |
| 183 | A | 98.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N21 Y179 V180 W214 | N21-A183 WeakPolarHBondContact CB-O 3.39Å; N21-A183 PolarHBondContact ND2-O 3.4Å; N21-A183 VanDerWaalsContact ND2-O 3.08Å; Y179-A183 WeakPolarHBondContact O-CB 3.4Å; Y179-A183 PolarHBondContact O-N 3.27Å; V180-A183 PolarHBondContact O-N 3.47Å; A183-W214 HydrophobicContact CB-CB 3.82Å; A183-W214 HydrophobicContact CB-CD2 3.82Å; A183-W214 HydrophobicContact CB-CE3 4.26Å; A183-W214 HydrophobicContact CB-CG 3.62Å |
| 184 | T | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -89.5 | -16.1 | -173.9 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | Y19 P20 N21 V180 K181 V186 I197 W214 | Y19-T184 VanDerWaalsContact CD2-CB 3.48Å; Y19-T184 HydrophobicContact CD2-CG2 3.71Å; Y19-T184 HydrophobicContact CE2-CG2 3.89Å; Y19-T184 HydrophobicContact CG-CG2 4.12Å; P20-T184 WeakPolarHBondContact CD-O 3.15Å; N21-T184 WeakPolarHBondContact CB-O 3.32Å; N21-T184 PolarHBondContact N-O 3.46Å; V180-T184 HydrophobicContact CG1-CG2 3.97Å; V180-T184 WeakPolarHBondContact O-CB 3.04Å; V180-T184 VanDerWaalsContact O-CG2 3.27Å; V180-T184 WeakPolarHBondContact O-CG2 3.04Å; V180-T184 PolarHBondContact O-N 2.88Å; V180-T184 PolarHBondContact O-OG1 2.7Å; K181-T184 PolarHBondContact O-OG1 2.92Å; T184-V186 VanDerWaalsContact C-N 3.26Å; T184-V186 PolarHBondContact O-N 3.04Å; T184-I197 HydrophobicContact CG2-CD1 3.85Å; T184-I197 HydrophobicContact CG2-CG1 4.06Å; T184-I197 HydrophobicContact CG2-CG2 4Å; T184-W214 HydrophobicContact CG2-CH2 4.02Å; T184-W214 HydrophobicContact CG2-CZ2 3.61Å |
| 185 | G | 97.8 | Very high | 94.5 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 12.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N21 K181 | N21-G185 PolarHBondContact ND2-N 3.44Å; K181-G185 PolarHBondContact O-N 3.23Å |
| 186 | V | 97.3 | Very high | 94.3 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | trans | -70.1 | 138.2 | 177.1 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | K181 T184 Q188 M189 I197 | K181-V186 HydrophobicContact CB-CG2 4.43Å; K181-V186 HydrophobicContact CG-CG2 4.15Å; K181-V186 WeakPolarHBondContact CG-O 3.44Å; T184-V186 VanDerWaalsContact C-N 3.26Å; T184-V186 PolarHBondContact O-N 3.04Å; V186-Q188 VanDerWaalsContact C-N 3.34Å; V186-Q188 PolarHBondContact O-N 3.24Å; V186-M189 HydrophobicContact CG2-CE 3.74Å; V186-I197 HydrophobicContact CG1-CD1 4.12Å; V186-I197 HydrophobicContact CG2-CD1 4.47Å | ||
| 187 | K | 96 | Very high | 94.3 | Very high | 202 Ų | 202 | 55.6 Ų | 55.6 | 88% | 0.878 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -63.5 | -39.7 | -179.8 | -65.2 | -176.3 | 178.5 | -178.8 | 0 | 112.7 | K181 | K181-K187 VanDerWaalsContact CE-O 3.23Å; K181-K187 WeakPolarHBondContact CE-O 3.4Å |
| 188 | Q | 92.8 | Very high | 94.3 | Very high | 133 Ų | 133 | 55 Ų | 55 | 62% | 0.621 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -136.4 | 135.4 | 179.9 | -172 | -177.9 | 15.5 | 0 | 0 | 110.1 | V186 S193 | V186-Q188 VanDerWaalsContact C-N 3.34Å; V186-Q188 PolarHBondContact O-N 3.24Å; Q188-S193 PolarHBondContact O-OG 3.31Å |
| 189 | M | 91 | Very high | 94.1 | Very high | 32 Ų | 32 | 50 Ų | 50 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | trans | -89.6 | 119.4 | 170.9 | -169 | 54.7 | 68.2 | 0 | 0 | 109.2 | L177 V180 K181 V186 S193 L194 I197 | L177-M189 HydrophobicContact CB-CG 4Å; L177-M189 HydrophobicContact CD2-CG 3.86Å; L177-M189 HydrophobicContact CD2-SD 4.32Å; L177-M189 HydrophobicContact CG-CG 4.38Å; V180-M189 HydrophobicContact CB-CE 3.96Å; V180-M189 HydrophobicContact CG1-CE 3.65Å; K181-M189 HydrophobicContact CB-CB 4.4Å; K181-M189 HydrophobicContact CB-CE 3.95Å; V186-M189 HydrophobicContact CG2-CE 3.74Å; M189-S193 WeakPolarHBondContact CA-OG 3.46Å; M189-L194 HydrophobicContact SD-CB 4.21Å; M189-L194 HydrophobicContact SD-CD1 4.21Å; M189-I197 HydrophobicContact CE-CD1 4.01Å; M189-I197 HydrophobicContact SD-CD1 4.47Å | ||
| 190 | N | 87.3 | Confident | 94 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -152.2 | 177.3 | 177.5 | 60.8 | 34.2 | 0 | 0 | 0 | 109.6 | A192 S193 L194 | N190-A192 PolarHBondContact O-N 3.49Å; N190-A192 WeakPolarHBondContact OD1-CB 3.4Å; N190-A192 PolarHBondContact OD1-N 3.02Å; N190-A192 VanDerWaalsContact OD1-N 3.09Å; N190-S193 PolarHBondContact N-OG 3.47Å; N190-S193 PolarHBondContact O-N 2.66Å; N190-S193 PolarHBondContact O-OG 3.45Å; N190-S193 PolarHBondContact OD1-N 2.93Å; N190-S193 PolarHBondContact OD1-OG 3.26Å; N190-L194 WeakPolarHBondContact O-CB 3.41Å; N190-L194 PolarHBondContact O-N 3.4Å |
| 191 | A | 85.3 | Confident | 94 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 30% | 0.298 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -52.1 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | V166 Y170 K195 | V166-A191 HydrophobicContact CG1-CB 4.14Å; V166-A191 HydrophobicContact CG2-CB 4.22Å; Y170-A191 WeakPolarHBondContact OH-CA 3.15Å; A191-K195 WeakPolarHBondContact O-CB 3.44Å; A191-K195 PolarHBondContact O-N 3.14Å |
| 192 | A | 86.1 | Confident | 93.9 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 50% | 0.496 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.8 | -43.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N190 R196 | N190-A192 PolarHBondContact O-N 3.49Å; N190-A192 WeakPolarHBondContact OD1-CB 3.4Å; N190-A192 PolarHBondContact OD1-N 3.02Å; N190-A192 VanDerWaalsContact OD1-N 3.09Å; A192-R196 WeakPolarHBondContact O-CB 3.34Å; A192-R196 PolarHBondContact O-N 3.27Å; A192-R196 VanDerWaalsContact O-N 3.14Å |
| 193 | S | 91.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 42 Ų | 42 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.3 | -39.8 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | Q188 M189 N190 R196 I197 | Q188-S193 PolarHBondContact O-OG 3.31Å; M189-S193 WeakPolarHBondContact CA-OG 3.46Å; N190-S193 PolarHBondContact N-OG 3.47Å; N190-S193 PolarHBondContact O-N 2.66Å; N190-S193 PolarHBondContact O-OG 3.45Å; N190-S193 PolarHBondContact OD1-N 2.93Å; N190-S193 PolarHBondContact OD1-OG 3.26Å; S193-R196 WeakPolarHBondContact O-CB 3.34Å; S193-R196 PolarHBondContact O-N 2.93Å; S193-I197 WeakPolarHBondContact O-CD1 3.22Å; S193-I197 VanDerWaalsContact O-CG1 3.25Å; S193-I197 WeakPolarHBondContact O-CG1 2.81Å; S193-I197 PolarHBondContact O-N 2.78Å |
| 194 | L | 92.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 175.9 | -169.5 | 72.7 | 0 | 0 | 0 | 112.1 | Y170 L177 M189 N190 R196 I197 A198 V234 L237 | Y170-L194 HydrophobicContact CE1-CD2 3.83Å; Y170-L194 WeakPolarHBondContact OH-CB 3.35Å; Y170-L194 WeakPolarHBondContact OH-CD2 3.42Å; L177-L194 HydrophobicContact CD2-CD1 4.29Å; M189-L194 HydrophobicContact SD-CB 4.21Å; M189-L194 HydrophobicContact SD-CD1 4.21Å; N190-L194 WeakPolarHBondContact O-CB 3.41Å; N190-L194 PolarHBondContact O-N 3.4Å; L194-R196 PolarHBondContact O-N 2.74Å; L194-I197 PolarHBondContact O-N 2.82Å; L194-A198 WeakPolarHBondContact O-CB 3.36Å; L194-A198 PolarHBondContact O-N 3.39Å; L194-V234 HydrophobicContact CD1-CG1 4.18Å; L194-V234 HydrophobicContact CD1-CG2 4.29Å; L194-L237 VanDerWaalsContact CD2-C 3.44Å; L194-L237 HydrophobicContact CD2-CB 3.45Å; L194-L237 VanDerWaalsContact CD2-CB 3.45Å; L194-L237 WeakPolarHBondContact CD2-O 3.42Å |
| 195 | K | 90.4 | Very high | 93.5 | Very high | 110 Ų | 110 | 45.9 Ų | 45.9 | 48% | 0.478 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.9 | -40.6 | 174.6 | 177.8 | 176.8 | -178.7 | 178 | 0 | 111.9 | A191 T199 N238 | A191-K195 WeakPolarHBondContact O-CB 3.44Å; A191-K195 PolarHBondContact O-N 3.14Å; K195-T199 WeakPolarHBondContact O-CB 3.48Å; K195-T199 PolarHBondContact O-N 3.43Å; K195-T199 PolarHBondContact O-OG1 3.12Å; K195-N238 WeakPolarHBondContact CA-OD1 3.28Å |
| 196 | R | 93.3 | Very high | 93.3 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 36% | 0.358 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -52.1 | 176.7 | -168 | -173.4 | -49 | 143 | 7.6 | 111.3 | S17 T18 A192 S193 L194 T199 A200 | S17-R196 WeakPolarHBondContact OG-CD 3.15Å; T18-R196 WeakPolarHBondContact O-CD 3.43Å; A192-R196 WeakPolarHBondContact O-CB 3.34Å; A192-R196 PolarHBondContact O-N 3.27Å; A192-R196 VanDerWaalsContact O-N 3.14Å; S193-R196 WeakPolarHBondContact O-CB 3.34Å; S193-R196 PolarHBondContact O-N 2.93Å; L194-R196 PolarHBondContact O-N 2.74Å; R196-T199 PolarHBondContact O-N 2.86Å; R196-A200 WeakPolarHBondContact O-CB 3.39Å; R196-A200 PolarHBondContact O-N 3.13Å |
| 197 | I | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -51.7 | 178.8 | -65.7 | 157.2 | 0 | 0 | 0 | 110.4 | Y19 V180 T184 V186 M189 S193 L194 T199 A200 L201 W214 V234 | Y19-I197 HydrophobicContact CD1-CB 4.22Å; Y19-I197 HydrophobicContact CD1-CG1 3.86Å; Y19-I197 HydrophobicContact CD1-CG2 4.2Å; Y19-I197 HydrophobicContact CE1-CG2 4.25Å; Y19-I197 HydrophobicContact CG-CG1 4.02Å; V180-I197 HydrophobicContact CG1-CD1 4.15Å; T184-I197 HydrophobicContact CG2-CD1 3.85Å; T184-I197 HydrophobicContact CG2-CG1 4.06Å; T184-I197 HydrophobicContact CG2-CG2 4Å; V186-I197 HydrophobicContact CG1-CD1 4.12Å; V186-I197 HydrophobicContact CG2-CD1 4.47Å; M189-I197 HydrophobicContact CE-CD1 4.01Å; M189-I197 HydrophobicContact SD-CD1 4.47Å; S193-I197 WeakPolarHBondContact O-CD1 3.22Å; S193-I197 VanDerWaalsContact O-CG1 3.25Å; S193-I197 WeakPolarHBondContact O-CG1 2.81Å; S193-I197 PolarHBondContact O-N 2.78Å; L194-I197 PolarHBondContact O-N 2.82Å; I197-T199 VanDerWaalsContact C-N 3.34Å; I197-T199 PolarHBondContact O-N 3.17Å; I197-A200 PolarHBondContact O-N 3.36Å; I197-L201 HydrophobicContact CG2-CD1 3.81Å; I197-L201 HydrophobicContact CG2-CG 4.36Å; I197-L201 VanDerWaalsContact O-CG 3.31Å; I197-L201 WeakPolarHBondContact O-CG 3.25Å; I197-L201 PolarHBondContact O-N 3.18Å; I197-W214 HydrophobicContact CG2-CH2 3.98Å; I197-W214 HydrophobicContact CG2-CZ2 4.23Å; I197-V234 HydrophobicContact CG2-CG1 4.12Å |
| 198 | A | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L194 R202 V234 Q235 N238 | L194-A198 WeakPolarHBondContact O-CB 3.36Å; L194-A198 PolarHBondContact O-N 3.39Å; A198-R202 VanDerWaalsContact O-CB 3.29Å; A198-R202 WeakPolarHBondContact O-CB 3.43Å; A198-R202 PolarHBondContact O-N 3.34Å; A198-V234 HydrophobicContact CB-CG1 3.61Å; A198-Q235 PolarHBondContact O-NE2 3.25Å; A198-N238 HydrophobicContact CB-CB 3.31Å |
| 199 | T | 93.8 | Very high | 92.8 | Very high | 17 Ų | 17 | 38.5 Ų | 38.5 | 10% | 0.104 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 178 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | K195 R196 I197 L203 | K195-T199 WeakPolarHBondContact O-CB 3.48Å; K195-T199 PolarHBondContact O-N 3.43Å; K195-T199 PolarHBondContact O-OG1 3.12Å; R196-T199 PolarHBondContact O-N 2.86Å; I197-T199 VanDerWaalsContact C-N 3.34Å; I197-T199 PolarHBondContact O-N 3.17Å; T199-L203 HydrophobicContact CG2-CD1 3.73Å; T199-L203 WeakPolarHBondContact O-CD1 3.47Å; T199-L203 WeakPolarHBondContact O-CG 3.32Å; T199-L203 PolarHBondContact O-N 3.4Å; T199-L203 VanDerWaalsContact O-N 3.16Å |
| 200 | A | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -57.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P15 T18 Y19 R196 I197 R202 L203 E204 | P15-A200 HydrophobicContact CG-CB 4.5Å; T18-A200 WeakPolarHBondContact OG1-CB 3.37Å; Y19-A200 HydrophobicContact CD1-CB 4.49Å; Y19-A200 HydrophobicContact CE1-CB 4.35Å; R196-A200 WeakPolarHBondContact O-CB 3.39Å; R196-A200 PolarHBondContact O-N 3.13Å; I197-A200 PolarHBondContact O-N 3.36Å; A200-R202 VanDerWaalsContact C-N 3.28Å; A200-R202 PolarHBondContact O-N 3.27Å; A200-L203 PolarHBondContact O-N 2.73Å; A200-E204 VanDerWaalsContact CB-OE1 3.31Å; A200-E204 WeakPolarHBondContact CB-OE1 3.19Å; A200-E204 WeakPolarHBondContact O-CG 3.36Å; A200-E204 PolarHBondContact O-N 3.48Å |
| 201 | L | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.3 | -40.2 | 178.9 | -68.2 | 173.9 | 0 | 0 | 0 | 113.2 | Y19 I197 E204 K205 L211 W214 T215 F231 V234 | Y19-L201 HydrophobicContact CE1-CD2 4.34Å; Y19-L201 HydrophobicContact CE1-CG 4.39Å; Y19-L201 WeakPolarHBondContact OH-CD2 3.28Å; I197-L201 HydrophobicContact CG2-CD1 3.81Å; I197-L201 HydrophobicContact CG2-CG 4.36Å; I197-L201 VanDerWaalsContact O-CG 3.31Å; I197-L201 WeakPolarHBondContact O-CG 3.25Å; I197-L201 PolarHBondContact O-N 3.18Å; L201-E204 PolarHBondContact N-OE1 2.99Å; L201-K205 WeakPolarHBondContact O-CB 3.29Å; L201-K205 PolarHBondContact O-N 2.93Å; L201-L211 HydrophobicContact CD2-CD2 4.13Å; L201-L211 WeakPolarHBondContact O-CD2 3.15Å; L201-W214 HydrophobicContact CD1-CH2 3.63Å; L201-W214 HydrophobicContact CD1-CZ2 3.82Å; L201-W214 HydrophobicContact CD2-CZ2 4.26Å; L201-T215 HydrophobicContact CD1-CG2 4.12Å; L201-T215 HydrophobicContact CD2-CG2 3.75Å; L201-F231 HydrophobicContact CB-CD2 4.15Å; L201-F231 HydrophobicContact CB-CE2 3.98Å; L201-F231 HydrophobicContact CD1-CD2 4.46Å; L201-V234 HydrophobicContact CD1-CG1 4.22Å |
| 202 | R | 95.5 | Very high | 94.1 | Very high | 67 Ų | 67 | 38.1 Ų | 38.1 | 25% | 0.253 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 177.6 | -178 | 176.6 | 62.1 | -150.1 | -5.6 | 111.4 | A198 A200 N206 | A198-R202 VanDerWaalsContact O-CB 3.29Å; A198-R202 WeakPolarHBondContact O-CB 3.43Å; A198-R202 PolarHBondContact O-N 3.34Å; A200-R202 VanDerWaalsContact C-N 3.28Å; A200-R202 PolarHBondContact O-N 3.27Å; R202-N206 WeakPolarHBondContact O-CB 3.39Å; R202-N206 PolarHBondContact O-N 2.9Å; R202-N206 PolarHBondContact O-OD1 3.05Å |
| 203 | L | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.9 | -38.3 | -178.6 | -67.3 | 167.8 | 0 | 0 | 0 | 111.7 | E12 R13 P15 W29 T199 A200 N206 A207 F308 | E12-L203 HydrophobicContact CG-CD2 4.22Å; R13-L203 WeakPolarHBondContact O-CD2 3.36Å; P15-L203 HydrophobicContact CB-CD1 4.44Å; P15-L203 HydrophobicContact CG-CB 4.21Å; P15-L203 HydrophobicContact CG-CD1 4.1Å; W29-L203 HydrophobicContact CH2-CB 4.26Å; T199-L203 HydrophobicContact CG2-CD1 3.73Å; T199-L203 WeakPolarHBondContact O-CD1 3.47Å; T199-L203 WeakPolarHBondContact O-CG 3.32Å; T199-L203 PolarHBondContact O-N 3.4Å; T199-L203 VanDerWaalsContact O-N 3.16Å; A200-L203 PolarHBondContact O-N 2.73Å; L203-N206 PolarHBondContact O-N 3.37Å; L203-A207 WeakPolarHBondContact O-CB 3.3Å; L203-A207 PolarHBondContact O-N 3.35Å; L203-F308 HydrophobicContact CD2-CE2 3.81Å; L203-F308 HydrophobicContact CD2-CZ 3.85Å |
| 204 | E | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.3 | -50 | 171.9 | -71.8 | 155.2 | -136.5 | 0 | 0 | 110.8 | D22 Y24 W29 A200 L201 N206 A207 G208 F209 L211 | D22-E204 VanDerWaalsContact OD2-OE1 3.13Å; Y24-E204 HydrophobicContact CD2-CG 4.01Å; W29-E204 HydrophobicContact CZ2-CG 3.92Å; A200-E204 VanDerWaalsContact CB-OE1 3.31Å; A200-E204 WeakPolarHBondContact CB-OE1 3.19Å; A200-E204 WeakPolarHBondContact O-CG 3.36Å; A200-E204 PolarHBondContact O-N 3.48Å; L201-E204 PolarHBondContact N-OE1 2.99Å; E204-N206 VanDerWaalsContact C-N 3.33Å; E204-N206 PolarHBondContact O-N 2.86Å; E204-A207 CarbonylContact O-C 3.57Å; E204-A207 PolarHBondContact O-N 3.14Å; E204-A207 VanDerWaalsContact O-N 3.12Å; E204-G208 PolarHBondContact O-N 3.12Å; E204-G208 VanDerWaalsContact O-N 3.14Å; E204-F209 HydrophobicContact CB-CB 4.07Å; E204-F209 HydrophobicContact CB-CD2 4.06Å; E204-F209 HydrophobicContact CG-CD2 4.09Å; E204-F209 WeakPolarHBondContact O-CB 3.41Å; E204-F209 PolarHBondContact O-N 3.31Å; E204-L211 HydrophobicContact CB-CD2 3.86Å |
| 205 | K | 95 | Very high | 95.2 | Very high | 106 Ų | 106 | 43.8 Ų | 43.8 | 46% | 0.461 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 175.3 | -174 | 176 | 180 | 178.2 | 0 | 111.8 | L201 A207 G208 L211 F231 | L201-K205 WeakPolarHBondContact O-CB 3.29Å; L201-K205 PolarHBondContact O-N 2.93Å; K205-A207 PolarHBondContact O-N 2.98Å; K205-G208 PolarHBondContact O-N 2.63Å; K205-G208 VanDerWaalsContact O-N 3.13Å; K205-L211 HydrophobicContact CB-CD1 4.23Å; K205-L211 HydrophobicContact CB-CD2 4.17Å; K205-L211 HydrophobicContact CB-CG 4.39Å; K205-L211 HydrophobicContact CD-CD1 4.32Å; K205-F231 HydrophobicContact CD-CE1 3.97Å; K205-F231 HydrophobicContact CD-CE2 4.22Å; K205-F231 HydrophobicContact CD-CZ 3.59Å |
| 206 | N | 92.3 | Very high | 95.6 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.6 | -26.2 | 178.1 | -76 | 9.1 | 0 | 0 | 0 | 113.7 | E12 K64 R202 L203 E204 G208 | E12-N206 PolarHBondContact OE2-ND2 3.45Å; K64-N206 PolarHBondContact NZ-O 3.13Å; R202-N206 WeakPolarHBondContact O-CB 3.39Å; R202-N206 PolarHBondContact O-N 2.9Å; R202-N206 PolarHBondContact O-OD1 3.05Å; L203-N206 PolarHBondContact O-N 3.37Å; E204-N206 VanDerWaalsContact C-N 3.33Å; E204-N206 PolarHBondContact O-N 2.86Å; N206-G208 VanDerWaalsContact C-N 3.35Å |
| 207 | A | 91.1 | Very high | 95.8 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 22% | 0.223 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -87.1 | -4.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | W29 L203 E204 K205 F209 | W29-A207 HydrophobicContact CH2-CB 3.85Å; W29-A207 HydrophobicContact CZ3-CB 3.71Å; L203-A207 WeakPolarHBondContact O-CB 3.3Å; L203-A207 PolarHBondContact O-N 3.35Å; E204-A207 CarbonylContact O-C 3.57Å; E204-A207 PolarHBondContact O-N 3.14Å; E204-A207 VanDerWaalsContact O-N 3.12Å; K205-A207 PolarHBondContact O-N 2.98Å; A207-F209 HydrophobicContact CB-CD2 4.2Å; A207-F209 HydrophobicContact CB-CE2 4.2Å |
| 208 | G | 91.1 | Very high | 95.9 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 68% | 0.68 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 11 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E204 K205 N206 | E204-G208 PolarHBondContact O-N 3.12Å; E204-G208 VanDerWaalsContact O-N 3.14Å; K205-G208 PolarHBondContact O-N 2.63Å; K205-G208 VanDerWaalsContact O-N 3.13Å; N206-G208 VanDerWaalsContact C-N 3.35Å |
| 209 | F | 93.3 | Very high | 96 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 25% | 0.254 | 27% | 0.272 | S | S | . | . | trans | -70.4 | 143.9 | 174.1 | -65.6 | -43 | 0 | 0 | 0 | 111.6 | Y24 A28 W29 E204 A207 L211 | Y24-F209 HydrophobicContact CD1-CD1 4.29Å; Y24-F209 HydrophobicContact CD1-CD2 4.38Å; Y24-F209 HydrophobicContact CD1-CG 4.2Å; Y24-F209 HydrophobicContact CD2-CB 4.08Å; Y24-F209 HydrophobicContact CD2-CD2 4.38Å; Y24-F209 HydrophobicContact CD2-CG 4.33Å; Y24-F209 HydrophobicContact CE1-CB 4.26Å; Y24-F209 HydrophobicContact CE1-CD1 4.08Å; Y24-F209 HydrophobicContact CE1-CG 4.15Å; Y24-F209 HydrophobicContact CE2-CB 3.68Å; Y24-F209 HydrophobicContact CE2-CG 4.27Å; Y24-F209 HydrophobicContact CG-CD2 4.17Å; Y24-F209 HydrophobicContact CG-CG 4.29Å; A28-F209 WeakPolarHBondContact O-CZ 3.43Å; W29-F209 HydrophobicContact CD2-CE2 4.14Å; W29-F209 AromaticContact CE2-CE2 3.85Å; W29-F209 HydrophobicContact CE3-CE2 4.13Å; W29-F209 HydrophobicContact CH2-CD2 4.07Å; W29-F209 AromaticContact CH2-CE2 3.71Å; W29-F209 HydrophobicContact CH2-CE2 3.71Å; W29-F209 HydrophobicContact CZ2-CD2 4.02Å; W29-F209 AromaticContact CZ2-CE2 3.66Å; W29-F209 HydrophobicContact CZ2-CE2 3.66Å; W29-F209 AromaticContact CZ3-CE2 3.94Å; W29-F209 HydrophobicContact CZ3-CE2 3.94Å; E204-F209 HydrophobicContact CB-CB 4.07Å; E204-F209 HydrophobicContact CB-CD2 4.06Å; E204-F209 HydrophobicContact CG-CD2 4.09Å; E204-F209 WeakPolarHBondContact O-CB 3.41Å; E204-F209 PolarHBondContact O-N 3.31Å; A207-F209 HydrophobicContact CB-CD2 4.2Å; A207-F209 HydrophobicContact CB-CE2 4.2Å; F209-L211 PolarHBondContact O-N 3.21Å | ||
| 210 | A | 96.3 | Very high | 96.1 | Very high | 69 Ų | 69 | 56.7 Ų | 56.7 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | trans | -75.4 | 113.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y24 | Y24-A210 VanDerWaalsContact CE2-O 3.31Å; Y24-A210 WeakPolarHBondContact CE2-O 3.31Å; Y24-A210 PolarHBondContact OH-N 3.42Å; Y24-A210 PolarHBondContact OH-O 3.32Å | ||
| 211 | L | 97.7 | Very high | 96 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | trans | -63.1 | 146.3 | -178.8 | -60.4 | -174.8 | 0 | 0 | 0 | 111.8 | L201 E204 K205 F209 T215 R216 F231 | L201-L211 HydrophobicContact CD2-CD2 4.13Å; L201-L211 WeakPolarHBondContact O-CD2 3.15Å; E204-L211 HydrophobicContact CB-CD2 3.86Å; K205-L211 HydrophobicContact CB-CD1 4.23Å; K205-L211 HydrophobicContact CB-CD2 4.17Å; K205-L211 HydrophobicContact CB-CG 4.39Å; K205-L211 HydrophobicContact CD-CD1 4.32Å; F209-L211 PolarHBondContact O-N 3.21Å; L211-T215 HydrophobicContact CB-CG2 4.28Å; L211-T215 WeakPolarHBondContact CB-OG1 3.49Å; L211-R216 PolarHBondContact O-NH1 2.84Å; L211-F231 HydrophobicContact CD1-CD2 3.4Å; L211-F231 HydrophobicContact CD1-CE2 3.61Å; L211-F231 HydrophobicContact CD1-CG 4.06Å; L211-F231 HydrophobicContact CD1-CZ 4.43Å | ||
| 212 | P | 97.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 60 Ų | 60 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | trans | -55.3 | 150.4 | 178.2 | -27.9 | 36.2 | 0 | 0 | 0 | 112.9 | P23 W214 T215 | P23-P212 HydrophobicContact CG-CG 3.94Å; P212-W214 VanDerWaalsContact C-N 3.26Å; P212-W214 VanDerWaalsContact CB-CD1 3.46Å; P212-W214 HydrophobicContact CB-CG 4.44Å; P212-W214 PolarHBondContact O-N 3.2Å; P212-W214 VanDerWaalsContact O-N 3.16Å; P212-T215 HydrophobicContact CB-CG2 4.43Å; P212-T215 WeakPolarHBondContact O-CB 3.33Å; P212-T215 WeakPolarHBondContact O-CG2 3.4Å; P212-T215 PolarHBondContact O-N 3.29Å; P212-T215 PolarHBondContact O-OG1 3.46Å | ||
| 213 | E | 97.8 | Very high | 95.3 | Very high | 150 Ų | 150 | 61.6 Ų | 61.6 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -57.1 | -36.9 | -173.1 | -178.1 | 169.9 | -153.3 | 0 | 0 | 114 | T215 R216 | E213-T215 PolarHBondContact O-N 3.12Å; E213-R216 WeakPolarHBondContact O-CB 3.36Å; E213-R216 PolarHBondContact O-N 2.95Å |
| 214 | W | 98.3 | Very high | 95.2 | Very high | 30 Ų | 30 | 65.2 Ų | 65.2 | 11% | 0.114 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -56.9 | -27.9 | 179.2 | 72.7 | -101.7 | 0 | 0 | 0 | 112.8 | Y179 V180 A183 T184 I197 L201 P212 R216 K217 A230 V234 | Y179-W214 HydrophobicContact CE1-CE3 4.27Å; Y179-W214 VanDerWaalsContact OH-CA 3.27Å; Y179-W214 WeakPolarHBondContact OH-CA 3.45Å; Y179-W214 WeakPolarHBondContact OH-CB 3.2Å; Y179-W214 PolarHBondContact OH-O 2.76Å; Y179-W214 VanDerWaalsContact OH-O 3.05Å; V180-W214 HydrophobicContact CG1-CH2 4.21Å; V180-W214 HydrophobicContact CG1-CZ3 4.27Å; V180-W214 HydrophobicContact CG2-CZ3 4.13Å; A183-W214 HydrophobicContact CB-CB 3.82Å; A183-W214 HydrophobicContact CB-CD2 3.82Å; A183-W214 HydrophobicContact CB-CE3 4.26Å; A183-W214 HydrophobicContact CB-CG 3.62Å; T184-W214 HydrophobicContact CG2-CH2 4.02Å; T184-W214 HydrophobicContact CG2-CZ2 3.61Å; I197-W214 HydrophobicContact CG2-CH2 3.98Å; I197-W214 HydrophobicContact CG2-CZ2 4.23Å; L201-W214 HydrophobicContact CD1-CH2 3.63Å; L201-W214 HydrophobicContact CD1-CZ2 3.82Å; L201-W214 HydrophobicContact CD2-CZ2 4.26Å; P212-W214 VanDerWaalsContact C-N 3.26Å; P212-W214 VanDerWaalsContact CB-CD1 3.46Å; P212-W214 HydrophobicContact CB-CG 4.44Å; P212-W214 PolarHBondContact O-N 3.2Å; P212-W214 VanDerWaalsContact O-N 3.16Å; W214-R216 PolarHBondContact O-N 3.19Å; W214-K217 PolarHBondContact O-N 3.19Å; W214-A230 HydrophobicContact CE3-CB 4.24Å; W214-A230 HydrophobicContact CZ3-CB 4.27Å; W214-A230 WeakPolarHBondContact O-CB 3.18Å; W214-V234 HydrophobicContact CH2-CG2 4.29Å; W214-V234 HydrophobicContact CZ3-CG2 4.21Å |
| 215 | T | 98.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 67.5 Ų | 67.5 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -69 | -17.9 | 179.7 | 70.6 | 0 | 0 | 0 | 0 | 113.3 | L201 L211 P212 E213 T229 A230 F231 | L201-T215 HydrophobicContact CD1-CG2 4.12Å; L201-T215 HydrophobicContact CD2-CG2 3.75Å; L211-T215 HydrophobicContact CB-CG2 4.28Å; L211-T215 WeakPolarHBondContact CB-OG1 3.49Å; P212-T215 HydrophobicContact CB-CG2 4.43Å; P212-T215 WeakPolarHBondContact O-CB 3.33Å; P212-T215 WeakPolarHBondContact O-CG2 3.4Å; P212-T215 PolarHBondContact O-N 3.29Å; P212-T215 PolarHBondContact O-OG1 3.46Å; E213-T215 PolarHBondContact O-N 3.12Å; T215-T229 WeakPolarHBondContact O-CB 3.3Å; T215-A230 PolarHBondContact O-N 3.28Å; T215-F231 PolarHBondContact O-N 2.71Å |
| 216 | R | 98.2 | Very high | 95.2 | Very high | 144 Ų | 144 | 68.3 Ų | 68.3 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -89.5 | -15.9 | -179.6 | -62.4 | -171.8 | -73.7 | -101.5 | 7.3 | 113.6 | L211 E213 W214 V218 | L211-R216 PolarHBondContact O-NH1 2.84Å; E213-R216 WeakPolarHBondContact O-CB 3.36Å; E213-R216 PolarHBondContact O-N 2.95Å; W214-R216 PolarHBondContact O-N 3.19Å; R216-V218 PolarHBondContact O-N 3.32Å |
| 217 | K | 97.8 | Very high | 95.4 | Very high | 103 Ų | 103 | 72 Ų | 72 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | trans | -58.5 | 130.4 | 179.4 | -173.7 | 174.1 | -179 | 179.8 | 0 | 110 | Y179 W214 T229 A230 | Y179-K217 HydrophobicContact CD2-CD 4.43Å; Y179-K217 HydrophobicContact CE1-CB 4.28Å; Y179-K217 HydrophobicContact CE1-CD 4.03Å; Y179-K217 HydrophobicContact CE2-CD 3.71Å; Y179-K217 VanDerWaalsContact CZ-CD 3.47Å; Y179-K217 WeakPolarHBondContact OH-CB 3.14Å; Y179-K217 WeakPolarHBondContact OH-CD 3.02Å; W214-K217 PolarHBondContact O-N 3.19Å; K217-T229 CarbonylContact O-C 3.49Å; K217-T229 WeakPolarHBondContact O-CA 3.42Å; K217-A230 PolarHBondContact O-N 2.91Å | ||
| 218 | V | 98 | Very high | 95.7 | Very high | 75 Ų | 75 | 73.2 Ų | 73.2 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 140 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | R216 E227 K228 T229 | R216-V218 PolarHBondContact O-N 3.32Å; V218-E227 HydrophobicContact CG1-CB 3.74Å; V218-E227 HydrophobicContact CG1-CG 4.07Å; V218-K228 WeakPolarHBondContact CA-O 3.49Å; V218-T229 HydrophobicContact CG2-CG2 4.47Å |
| 219 | W | 97.5 | Very high | 96 | Very high | 59 Ų | 59 | 71.9 Ų | 71.9 | 22% | 0.223 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.7 | 177.1 | -72.2 | 79.8 | 0 | 0 | 0 | 108.8 | A175 F176 Y179 K228 I233 | A175-W219 HydrophobicContact CB-CZ3 4.35Å; F176-W219 HydrophobicContact CB-CE3 4.17Å; F176-W219 HydrophobicContact CB-CZ3 4.16Å; F176-W219 HydrophobicContact CD2-CB 4.41Å; F176-W219 AromaticContact CD2-CD1 3.9Å; F176-W219 AromaticContact CD2-CD2 3.61Å; F176-W219 HydrophobicContact CD2-CD2 3.61Å; F176-W219 AromaticContact CD2-CE2 3.75Å; F176-W219 HydrophobicContact CD2-CE3 4.05Å; F176-W219 AromaticContact CD2-CG 3.75Å; F176-W219 HydrophobicContact CD2-CG 3.75Å; F176-W219 HydrophobicContact CD2-CZ2 4.33Å; F176-W219 AromaticContact CD2-NE1 3.88Å; F176-W219 AromaticContact CE2-CD1 3.86Å; F176-W219 HydrophobicContact CE2-CD2 4.34Å; F176-W219 HydrophobicContact CE2-CG 4.09Å; F176-W219 AromaticContact CE2-NE1 3.99Å; Y179-W219 VanDerWaalsContact CB-CZ2 3.5Å; Y179-W219 AromaticContact CD1-CE2 3.91Å; Y179-W219 AromaticContact CD1-CZ2 3.65Å; Y179-W219 HydrophobicContact CD1-CZ2 3.65Å; Y179-W219 AromaticContact CD1-NE1 3.67Å; Y179-W219 HydrophobicContact CD2-CZ2 4.14Å; Y179-W219 HydrophobicContact CE1-CZ2 4.41Å; Y179-W219 AromaticContact CE1-NE1 3.74Å; Y179-W219 HydrophobicContact CG-CH2 4.37Å; Y179-W219 AromaticContact CG-CZ2 3.48Å; Y179-W219 HydrophobicContact CG-CZ2 3.48Å; Y179-W219 VanDerWaalsContact CG-CZ2 3.48Å; W219-K228 PolarHBondContact N-O 3.27Å; W219-K228 PolarHBondContact O-N 3.37Å; W219-K228 VanDerWaalsContact O-O 3.13Å; W219-I233 HydrophobicContact CB-CD1 3.54Å; W219-I233 HydrophobicContact CG-CD1 4.41Å |
| 220 | I | 96.6 | Very high | 96.2 | Very high | 113 Ų | 113 | 69.1 Ų | 69.1 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.8 | 169 | -61.6 | 174.7 | 0 | 0 | 0 | 107.2 | P222 | I220-P222 VanDerWaalsContact O-CD 3.28Å; I220-P222 WeakPolarHBondContact O-CD 3.31Å |
| 221 | D | 94.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -72.1 | 114.5 | 177.1 | -177.1 | -26.2 | 0 | 0 | 0 | 109.6 | Y173 N223 D224 G225 E226 K228 K236 | Y173-D221 PolarHBondContact OH-OD1 2.96Å; D221-N223 PolarHBondContact O-N 3.1Å; D221-N223 WeakPolarHBondContact OD1-CB 2.97Å; D221-N223 PolarHBondContact OD1-N 3.3Å; D221-D224 WeakPolarHBondContact CB-OD1 3.35Å; D221-D224 PolarHBondContact O-N 2.8Å; D221-G225 WeakPolarHBondContact O-CA 3.33Å; D221-G225 PolarHBondContact O-N 3.13Å; D221-E226 WeakPolarHBondContact CB-O 3.13Å; D221-E226 PolarHBondContact N-O 2.91Å; D221-K228 HydrophobicContact CB-CD 3.96Å; D221-K228 HydrophobicContact CB-CG 4.45Å; D221-K228 WeakPolarHBondContact OD2-CD 3.45Å; D221-K228 WeakPolarHBondContact OD2-CE 3.15Å; D221-K228 IonicContact OD2-NZ 3.85Å; D221-K228 PolarHBondContact OD2-NZ 3.36Å; D221-K236 IonicContact OD1-NZ 2.73Å; D221-K236 PolarHBondContact OD1-NZ 2.91Å; D221-K236 WeakPolarHBondContact OD2-CD 3.34Å; D221-K236 IonicContact OD2-NZ 3.4Å; D221-K236 PolarHBondContact OD2-NZ 2.96Å | ||
| 222 | P | 92.1 | Very high | 96.2 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 44% | 0.442 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.3 | -177.2 | -25.3 | 34.3 | 0 | 0 | 0 | 114.9 | E172 Y173 I220 | E172-P222 HydrophobicContact CB-CB 4.2Å; E172-P222 VanDerWaalsContact O-CG 3.27Å; E172-P222 WeakPolarHBondContact O-CG 3.11Å; Y173-P222 HydrophobicContact CD1-CG 4.1Å; Y173-P222 VanDerWaalsContact CE1-CD 3.42Å; Y173-P222 HydrophobicContact CE1-CG 4.05Å; Y173-P222 HydrophobicContact CE2-CG 4.46Å; Y173-P222 HydrophobicContact CG-CG 4.39Å; I220-P222 VanDerWaalsContact O-CD 3.28Å; I220-P222 WeakPolarHBondContact O-CD 3.31Å |
| 223 | N | 87.2 | Confident | 96.1 | Very high | 101 Ų | 101 | 69.1 Ų | 69.1 | 54% | 0.54 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -26.3 | -174.2 | 160.7 | 104 | 0 | 0 | 0 | 113.6 | D221 K236 | D221-N223 PolarHBondContact O-N 3.1Å; D221-N223 WeakPolarHBondContact OD1-CB 2.97Å; D221-N223 PolarHBondContact OD1-N 3.3Å; N223-K236 VanDerWaalsContact CB-NZ 3.33Å; N223-K236 PolarHBondContact ND2-NZ 2.68Å |
| 224 | D | 92.6 | Very high | 96 | Very high | 77 Ų | 77 | 62 Ų | 62 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | -6.2 | 177.2 | 53.4 | 27.2 | 0 | 0 | 0 | 115 | D221 E226 K228 | D221-D224 WeakPolarHBondContact CB-OD1 3.35Å; D221-D224 PolarHBondContact O-N 2.8Å; D224-E226 VanDerWaalsContact C-N 3.26Å; D224-E226 HydrophobicContact CB-CG 4.49Å; D224-E226 PolarHBondContact O-N 3.31Å; D224-E226 WeakPolarHBondContact OD1-CB 3.28Å; D224-E226 PolarHBondContact OD1-N 3.32Å; D224-K228 VanDerWaalsContact CG-NZ 3.3Å; D224-K228 IonicContact OD1-NZ 2.72Å; D224-K228 PolarHBondContact OD1-NZ 2.95Å; D224-K228 VanDerWaalsContact OD1-NZ 3.13Å; D224-K228 IonicContact OD2-NZ 2.82Å; D224-K228 PolarHBondContact OD2-NZ 3.42Å |
| 225 | G | 94 | Very high | 95.8 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | trans | 78.4 | 5.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D221 | D221-G225 WeakPolarHBondContact O-CA 3.33Å; D221-G225 PolarHBondContact O-N 3.13Å | ||
| 226 | E | 96.2 | Very high | 95.3 | Very high | 124 Ų | 124 | 65.8 Ų | 65.8 | 58% | 0.579 | 33% | 0.329 | S | S | * | . | trans | -87.5 | 147.5 | -175.4 | -65.7 | -65.6 | 156.9 | 0 | 0 | 112.5 | D221 D224 K228 | D221-E226 WeakPolarHBondContact CB-O 3.13Å; D221-E226 PolarHBondContact N-O 2.91Å; D224-E226 VanDerWaalsContact C-N 3.26Å; D224-E226 HydrophobicContact CB-CG 4.49Å; D224-E226 PolarHBondContact O-N 3.31Å; D224-E226 WeakPolarHBondContact OD1-CB 3.28Å; D224-E226 PolarHBondContact OD1-N 3.32Å; E226-K228 PolarHBondContact O-N 3.23Å | ||
| 227 | E | 97.5 | Very high | 94.9 | Very high | 150 Ų | 150 | 59 Ų | 59 | 70% | 0.701 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 121.4 | 174 | -73.9 | -169.6 | 173.7 | 0 | 0 | 111.3 | V218 | V218-E227 HydrophobicContact CG1-CB 3.74Å; V218-E227 HydrophobicContact CG1-CG 4.07Å |
| 228 | K | 97.2 | Very high | 94.3 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.6 | 179.4 | -63.3 | -178.4 | -164.2 | 167.3 | 0 | 111.1 | V218 W219 D221 D224 E226 H232 I233 | V218-K228 WeakPolarHBondContact CA-O 3.49Å; W219-K228 PolarHBondContact N-O 3.27Å; W219-K228 PolarHBondContact O-N 3.37Å; W219-K228 VanDerWaalsContact O-O 3.13Å; D221-K228 HydrophobicContact CB-CD 3.96Å; D221-K228 HydrophobicContact CB-CG 4.45Å; D221-K228 WeakPolarHBondContact OD2-CD 3.45Å; D221-K228 WeakPolarHBondContact OD2-CE 3.15Å; D221-K228 IonicContact OD2-NZ 3.85Å; D221-K228 PolarHBondContact OD2-NZ 3.36Å; D224-K228 VanDerWaalsContact CG-NZ 3.3Å; D224-K228 IonicContact OD1-NZ 2.72Å; D224-K228 PolarHBondContact OD1-NZ 2.95Å; D224-K228 VanDerWaalsContact OD1-NZ 3.13Å; D224-K228 IonicContact OD2-NZ 2.82Å; D224-K228 PolarHBondContact OD2-NZ 3.42Å; E226-K228 PolarHBondContact O-N 3.23Å; K228-H232 HydrophobicContact CB-CB 4.27Å; K228-I233 HydrophobicContact CB-CD1 4.28Å; K228-I233 HydrophobicContact CB-CG1 3.88Å |
| 229 | T | 97.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 52.5 Ų | 52.5 | 23% | 0.233 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 154 | 172.9 | 72.9 | 0 | 0 | 0 | 0 | 110.8 | T215 K217 V218 F231 H232 I233 | T215-T229 WeakPolarHBondContact O-CB 3.3Å; K217-T229 CarbonylContact O-C 3.49Å; K217-T229 WeakPolarHBondContact O-CA 3.42Å; V218-T229 HydrophobicContact CG2-CG2 4.47Å; T229-F231 PolarHBondContact O-N 2.73Å; T229-F231 VanDerWaalsContact O-N 3.14Å; T229-H232 PolarHBondContact O-N 3.27Å; T229-H232 PolarHBondContact OG1-ND1 2.79Å; T229-I233 PolarHBondContact O-N 3.15Å; T229-I233 VanDerWaalsContact O-N 3.13Å |
| 230 | A | 97.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.6 | -34.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F176 Y179 W214 T215 K217 H232 I233 V234 | F176-A230 HydrophobicContact CE2-CB 3.77Å; F176-A230 HydrophobicContact CZ-CB 4.09Å; Y179-A230 HydrophobicContact CE1-CB 4.16Å; W214-A230 HydrophobicContact CE3-CB 4.24Å; W214-A230 HydrophobicContact CZ3-CB 4.27Å; W214-A230 WeakPolarHBondContact O-CB 3.18Å; T215-A230 PolarHBondContact O-N 3.28Å; K217-A230 PolarHBondContact O-N 2.91Å; A230-H232 PolarHBondContact O-N 2.94Å; A230-I233 PolarHBondContact O-N 3.37Å; A230-V234 WeakPolarHBondContact O-CB 3.3Å; A230-V234 WeakPolarHBondContact O-CG2 3.28Å; A230-V234 PolarHBondContact O-N 3.29Å |
| 231 | F | 97.8 | Very high | 88.7 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.7 | -52.8 | 170.3 | 175.9 | -101.5 | 0 | 0 | 0 | 112.1 | L201 K205 L211 T215 T229 I233 V234 Q235 | L201-F231 HydrophobicContact CB-CD2 4.15Å; L201-F231 HydrophobicContact CB-CE2 3.98Å; L201-F231 HydrophobicContact CD1-CD2 4.46Å; K205-F231 HydrophobicContact CD-CE1 3.97Å; K205-F231 HydrophobicContact CD-CE2 4.22Å; K205-F231 HydrophobicContact CD-CZ 3.59Å; L211-F231 HydrophobicContact CD1-CD2 3.4Å; L211-F231 HydrophobicContact CD1-CE2 3.61Å; L211-F231 HydrophobicContact CD1-CG 4.06Å; L211-F231 HydrophobicContact CD1-CZ 4.43Å; T215-F231 PolarHBondContact O-N 2.71Å; T229-F231 PolarHBondContact O-N 2.73Å; T229-F231 VanDerWaalsContact O-N 3.14Å; F231-I233 PolarHBondContact O-N 3.26Å; F231-V234 PolarHBondContact O-N 3.35Å; F231-Q235 HydrophobicContact CD1-CG 4.34Å; F231-Q235 HydrophobicContact CD2-CG 4.38Å; F231-Q235 HydrophobicContact CE1-CG 3.9Å; F231-Q235 HydrophobicContact CE2-CG 3.97Å; F231-Q235 HydrophobicContact CZ-CG 3.7Å; F231-Q235 WeakPolarHBondContact O-CG 3.17Å; F231-Q235 PolarHBondContact O-N 3.45Å |
| 232 | H | 95.9 | Very high | 86.4 | Confident | 96 Ų | 96 | 50.7 Ų | 50.7 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | -176.3 | -67.3 | 101 | 0 | 0 | 0 | 111.8 | K228 T229 A230 Q235 K236 | K228-H232 HydrophobicContact CB-CB 4.27Å; T229-H232 PolarHBondContact O-N 3.27Å; T229-H232 PolarHBondContact OG1-ND1 2.79Å; A230-H232 PolarHBondContact O-N 2.94Å; H232-Q235 PolarHBondContact O-N 2.99Å; H232-K236 WeakPolarHBondContact O-CB 3.46Å; H232-K236 PolarHBondContact O-N 2.8Å |
| 233 | I | 95.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 176.8 | -59.3 | 179.3 | 0 | 0 | 0 | 110.6 | Y173 F176 W219 K228 T229 A230 F231 Q235 K236 L237 | Y173-I233 HydrophobicContact CD1-CG2 3.78Å; Y173-I233 HydrophobicContact CE1-CG2 3.7Å; F176-I233 HydrophobicContact CD1-CG2 3.7Å; F176-I233 HydrophobicContact CD2-CD1 4.37Å; F176-I233 HydrophobicContact CD2-CG2 4.39Å; F176-I233 HydrophobicContact CE1-CB 3.88Å; F176-I233 HydrophobicContact CE1-CG2 3.34Å; F176-I233 HydrophobicContact CE2-CB 4.02Å; F176-I233 HydrophobicContact CE2-CD1 4.15Å; F176-I233 HydrophobicContact CE2-CG2 4.1Å; F176-I233 HydrophobicContact CG-CG2 4.2Å; F176-I233 HydrophobicContact CZ-CB 3.55Å; F176-I233 HydrophobicContact CZ-CG2 3.56Å; W219-I233 HydrophobicContact CB-CD1 3.54Å; W219-I233 HydrophobicContact CG-CD1 4.41Å; K228-I233 HydrophobicContact CB-CD1 4.28Å; K228-I233 HydrophobicContact CB-CG1 3.88Å; T229-I233 PolarHBondContact O-N 3.15Å; T229-I233 VanDerWaalsContact O-N 3.13Å; A230-I233 PolarHBondContact O-N 3.37Å; F231-I233 PolarHBondContact O-N 3.26Å; I233-Q235 VanDerWaalsContact C-N 3.32Å; I233-Q235 PolarHBondContact O-N 3Å; I233-K236 PolarHBondContact O-N 3.01Å; I233-L237 HydrophobicContact CG2-CD1 3.8Å; I233-L237 HydrophobicContact CG2-CG 4.02Å; I233-L237 WeakPolarHBondContact O-CB 3.29Å; I233-L237 WeakPolarHBondContact O-CG 3.28Å; I233-L237 PolarHBondContact O-N 3.16Å |
| 234 | V | 95.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 173.9 | 165.5 | 0 | 0 | 0 | 0 | 111.6 | F176 V180 L194 I197 A198 L201 W214 A230 F231 N238 | F176-V234 HydrophobicContact CE1-CG2 3.95Å; F176-V234 HydrophobicContact CZ-CG2 3.85Å; V180-V234 HydrophobicContact CG1-CG2 4.21Å; V180-V234 HydrophobicContact CG2-CG2 3.86Å; L194-V234 HydrophobicContact CD1-CG1 4.18Å; L194-V234 HydrophobicContact CD1-CG2 4.29Å; I197-V234 HydrophobicContact CG2-CG1 4.12Å; A198-V234 HydrophobicContact CB-CG1 3.61Å; L201-V234 HydrophobicContact CD1-CG1 4.22Å; W214-V234 HydrophobicContact CH2-CG2 4.29Å; W214-V234 HydrophobicContact CZ3-CG2 4.21Å; A230-V234 WeakPolarHBondContact O-CB 3.3Å; A230-V234 WeakPolarHBondContact O-CG2 3.28Å; A230-V234 PolarHBondContact O-N 3.29Å; F231-V234 PolarHBondContact O-N 3.35Å; V234-N238 WeakPolarHBondContact O-CB 3.49Å; V234-N238 PolarHBondContact O-N 2.98Å |
| 235 | Q | 93.5 | Very high | 80.1 | Confident | 39 Ų | 39 | 47 Ų | 47 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66 | -39 | 176.5 | -67.4 | -53.3 | -50.7 | 0 | 0 | 112.3 | A198 F231 H232 I233 | A198-Q235 PolarHBondContact O-NE2 3.25Å; F231-Q235 HydrophobicContact CD1-CG 4.34Å; F231-Q235 HydrophobicContact CD2-CG 4.38Å; F231-Q235 HydrophobicContact CE1-CG 3.9Å; F231-Q235 HydrophobicContact CE2-CG 3.97Å; F231-Q235 HydrophobicContact CZ-CG 3.7Å; F231-Q235 WeakPolarHBondContact O-CG 3.17Å; F231-Q235 PolarHBondContact O-N 3.45Å; H232-Q235 PolarHBondContact O-N 2.99Å; I233-Q235 VanDerWaalsContact C-N 3.32Å; I233-Q235 PolarHBondContact O-N 3Å |
| 236 | K | 88.8 | Confident | 77.9 | Confident | 75 Ų | 75 | 45.4 Ų | 45.4 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.5 | -47 | 176.7 | 179.4 | -173.6 | 178.9 | -174.1 | 0 | 111.8 | Y173 D221 N223 H232 I233 N238 | Y173-K236 PolarHBondContact OH-NZ 2.85Å; D221-K236 IonicContact OD1-NZ 2.73Å; D221-K236 PolarHBondContact OD1-NZ 2.91Å; D221-K236 WeakPolarHBondContact OD2-CD 3.34Å; D221-K236 IonicContact OD2-NZ 3.4Å; D221-K236 PolarHBondContact OD2-NZ 2.96Å; N223-K236 VanDerWaalsContact CB-NZ 3.33Å; N223-K236 PolarHBondContact ND2-NZ 2.68Å; H232-K236 WeakPolarHBondContact O-CB 3.46Å; H232-K236 PolarHBondContact O-N 2.8Å; I233-K236 PolarHBondContact O-N 3.01Å; K236-N238 PolarHBondContact O-N 3.4Å |
| 237 | L | 89.5 | Confident | 75.8 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74 | -14.9 | 179.7 | -69.5 | -178 | 0 | 0 | 0 | 113 | L169 Y173 F176 L177 L194 I233 V239 | L169-L237 HydrophobicContact CD1-CD2 4.13Å; L169-L237 HydrophobicContact CD2-CD2 3.91Å; L169-L237 HydrophobicContact CG-CD2 3.91Å; Y173-L237 HydrophobicContact CD1-CD1 3.63Å; Y173-L237 HydrophobicContact CD1-CD2 4Å; Y173-L237 HydrophobicContact CD1-CG 4.12Å; Y173-L237 HydrophobicContact CD2-CD1 4.45Å; Y173-L237 HydrophobicContact CD2-CD2 3.75Å; Y173-L237 HydrophobicContact CE1-CD1 4.15Å; Y173-L237 HydrophobicContact CE1-CD2 3.87Å; Y173-L237 HydrophobicContact CE1-CG 4.14Å; Y173-L237 HydrophobicContact CE2-CD2 3.68Å; Y173-L237 HydrophobicContact CG-CD1 3.77Å; Y173-L237 HydrophobicContact CG-CD2 3.91Å; Y173-L237 HydrophobicContact CG-CG 4.36Å; F176-L237 HydrophobicContact CD1-CD1 3.86Å; F176-L237 HydrophobicContact CE1-CD1 3.94Å; L177-L237 HydrophobicContact CD2-CD1 4.11Å; L194-L237 VanDerWaalsContact CD2-C 3.44Å; L194-L237 HydrophobicContact CD2-CB 3.45Å; L194-L237 VanDerWaalsContact CD2-CB 3.45Å; L194-L237 WeakPolarHBondContact CD2-O 3.42Å; I233-L237 HydrophobicContact CG2-CD1 3.8Å; I233-L237 HydrophobicContact CG2-CG 4.02Å; I233-L237 WeakPolarHBondContact O-CB 3.29Å; I233-L237 WeakPolarHBondContact O-CG 3.28Å; I233-L237 PolarHBondContact O-N 3.16Å; L237-V239 WeakPolarHBondContact O-CG2 3.37Å; L237-V239 PolarHBondContact O-N 3.34Å |
| 238 | N | 85.5 | Confident | 74.2 | Confident | 17 Ų | 17 | 37.8 Ų | 37.8 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -70.2 | 71.3 | 162.3 | 173.8 | 44.9 | 0 | 0 | 0 | 108.9 | K195 A198 V234 K236 P240 | K195-N238 WeakPolarHBondContact CA-OD1 3.28Å; A198-N238 HydrophobicContact CB-CB 3.31Å; V234-N238 WeakPolarHBondContact O-CB 3.49Å; V234-N238 PolarHBondContact O-N 2.98Å; K236-N238 PolarHBondContact O-N 3.4Å; N238-P240 WeakPolarHBondContact O-CD 3.47Å |
| 239 | V | 65.9 | Low | 72.8 | Confident | 25 Ų | 25 | 39.5 Ų | 39.5 | 15% | 0.152 | 21% | 0.212 | C | C | . | . | trans | -54.8 | 107.9 | 172.6 | 178.4 | 0 | 0 | 0 | 0 | 106.3 | F165 L169 L237 T243 | F165-V239 HydrophobicContact CD1-CG1 4.18Å; F165-V239 HydrophobicContact CE1-CB 4.4Å; F165-V239 HydrophobicContact CE1-CG1 3.5Å; F165-V239 HydrophobicContact CE1-CG2 3.96Å; F165-V239 HydrophobicContact CZ-CG1 4.36Å; L169-V239 HydrophobicContact CD2-CG2 3.23Å; L237-V239 WeakPolarHBondContact O-CG2 3.37Å; L237-V239 PolarHBondContact O-N 3.34Å; V239-T243 WeakPolarHBondContact CG1-OG1 3.35Å | ||
| 240 | P | 56.5 | Low | 71.8 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | trans | -57.6 | 148.2 | 170.8 | 21.6 | -29.7 | 0 | 0 | 0 | 109 | N238 T242 T243 V305 | N238-P240 WeakPolarHBondContact O-CD 3.47Å; P240-T242 HydrophobicContact CB-CG2 4.25Å; P240-T242 VanDerWaalsContact CB-OG1 3.3Å; P240-T242 WeakPolarHBondContact CB-OG1 3.34Å; P240-T242 WeakPolarHBondContact CG-OG1 3.45Å; P240-T242 PolarHBondContact O-N 3.11Å; P240-T243 WeakPolarHBondContact CD-OG1 3.36Å; P240-T243 HydrophobicContact CG-CG2 4.29Å; P240-T243 WeakPolarHBondContact CG-OG1 3.38Å; P240-T243 PolarHBondContact O-N 3.42Å; P240-T243 PolarHBondContact O-OG1 3.34Å; P240-V305 HydrophobicContact CB-CG2 3.24Å; P240-V305 HydrophobicContact CG-CG2 3.81Å | ||
| 241 | L | 51.1 | Low | 70.8 | Confident | 79 Ų | 79 | 42 Ų | 42 | 41% | 0.414 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -24.3 | 174.3 | -156.7 | 76 | 0 | 0 | 0 | 111.2 | T243 S246 | L241-T243 VanDerWaalsContact C-N 3.32Å; L241-T243 PolarHBondContact O-N 3.31Å; L241-S246 WeakPolarHBondContact O-CB 3.11Å; L241-S246 PolarHBondContact O-OG 3.33Å |
| 242 | T | 45.7 | Very low | 69.8 | Low | 19 Ų | 19 | 41.3 Ų | 41.3 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.8 | 173.7 | 67.4 | 0 | 0 | 0 | 0 | 114.7 | P240 V292 G303 | P240-T242 HydrophobicContact CB-CG2 4.25Å; P240-T242 VanDerWaalsContact CB-OG1 3.3Å; P240-T242 WeakPolarHBondContact CB-OG1 3.34Å; P240-T242 WeakPolarHBondContact CG-OG1 3.45Å; P240-T242 PolarHBondContact O-N 3.11Å; T242-V292 HydrophobicContact CG2-CB 3.98Å; T242-V292 HydrophobicContact CG2-CG1 3.31Å; T242-V292 HydrophobicContact CG2-CG2 3.43Å; T242-V292 VanDerWaalsContact CG2-CG2 3.43Å; T242-G303 PolarHBondContact OG1-O 2.95Å; T242-G303 VanDerWaalsContact OG1-O 3.1Å |
| 243 | T | 47 | Very low | 69.4 | Low | 69 Ų | 69 | 38.7 Ų | 38.7 | 42% | 0.423 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -22.2 | -174.5 | 35.8 | 0 | 0 | 0 | 0 | 114 | V239 P240 L241 L245 | V239-T243 WeakPolarHBondContact CG1-OG1 3.35Å; P240-T243 WeakPolarHBondContact CD-OG1 3.36Å; P240-T243 HydrophobicContact CG-CG2 4.29Å; P240-T243 WeakPolarHBondContact CG-OG1 3.38Å; P240-T243 PolarHBondContact O-N 3.42Å; P240-T243 PolarHBondContact O-OG1 3.34Å; L241-T243 VanDerWaalsContact C-N 3.32Å; L241-T243 PolarHBondContact O-N 3.31Å; T243-L245 VanDerWaalsContact C-N 3.34Å; T243-L245 PolarHBondContact O-N 2.94Å |
| 244 | S | 49.6 | Very low | 69 | Low | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 39.2 | -175.2 | 58.8 | 0 | 0 | 0 | 0 | 115.3 | N162 | N162-S244 VanDerWaalsContact OD1-CB 3.27Å; N162-S244 WeakPolarHBondContact OD1-CB 3.19Å; N162-S244 PolarHBondContact OD1-OG 2.83Å |
| 245 | L | 43.6 | Very low | 68.7 | Low | 95 Ų | 95 | 39.7 Ų | 39.7 | 50% | 0.497 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 16.5 | 178.6 | -52.3 | 159.4 | 0 | 0 | 0 | 116.3 | A161 F165 T243 | A161-L245 HydrophobicContact CB-CB 4.07Å; A161-L245 HydrophobicContact CB-CD1 3.86Å; A161-L245 WeakPolarHBondContact O-CD1 3.21Å; F165-L245 HydrophobicContact CB-CD1 3.71Å; F165-L245 HydrophobicContact CB-CG 4.26Å; F165-L245 HydrophobicContact CD2-CG 4.45Å; F165-L245 HydrophobicContact CG-CD1 4.49Å; T243-L245 VanDerWaalsContact C-N 3.34Å; T243-L245 PolarHBondContact O-N 2.94Å |
| 246 | S | 47.1 | Very low | 68.5 | Low | 15 Ų | 15 | 38 Ų | 38 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | trans | -79 | 117.4 | 153.7 | -36.7 | 0 | 0 | 0 | 0 | 106.9 | L241 Q251 | L241-S246 WeakPolarHBondContact O-CB 3.11Å; L241-S246 PolarHBondContact O-OG 3.33Å; S246-Q251 VanDerWaalsContact CA-OE1 3.28Å | ||
| 247 | Y | 53.3 | Low | 68.8 | Low | 35 Ų | 35 | 34.4 Ų | 34.4 | 14% | 0.137 | 19% | 0.186 | C | C | . | . | cis | -149.9 | 116 | 29 | -69 | -107.5 | 0 | 0 | 0 | 107.8 | Q251 S252 H255 V292 N296 | Y247-Q251 HydrophobicContact CD1-CB 3.54Å; Y247-Q251 HydrophobicContact CD1-CG 3.52Å; Y247-Q251 HydrophobicContact CE1-CB 4.37Å; Y247-Q251 HydrophobicContact CE1-CG 3.86Å; Y247-Q251 HydrophobicContact CG-CB 4.18Å; Y247-Q251 HydrophobicContact CG-CG 4.39Å; Y247-S252 WeakPolarHBondContact CB-OG 3.29Å; Y247-S252 WeakPolarHBondContact CD1-OG 3.03Å; Y247-H255 AromaticContact CE1-CD2 3.91Å; Y247-V292 HydrophobicContact CE2-CG1 3.93Å; Y247-N296 HydrophobicContact CD2-CB 3.84Å; Y247-N296 WeakPolarHBondContact CD2-ND2 3.27Å; Y247-N296 HydrophobicContact CE2-CB 4.39Å; Y247-N296 WeakPolarHBondContact CE2-ND2 3.36Å; Y247-N296 HydrophobicContact CG-CB 4.22Å | ||
| 248 | L | 63.1 | Low | 69 | Low | 79 Ų | 79 | 35 Ų | 35 | 41% | 0.414 | 19% | 0.189 | S | C | . | . | trans | -49.8 | 142.9 | 149.9 | -72.7 | 168.6 | 0 | 0 | 0 | 107.6 | M157 E250 Q251 S252 | M157-L248 HydrophobicContact CE-CD1 3.35Å; M157-L248 HydrophobicContact CG-CD1 4.39Å; M157-L248 HydrophobicContact SD-CD1 3.64Å; L248-E250 VanDerWaalsContact CB-OE2 3.3Å; L248-E250 WeakPolarHBondContact CB-OE2 3.42Å; L248-E250 PolarHBondContact O-N 2.69Å; L248-Q251 PolarHBondContact O-N 2.84Å; L248-S252 PolarHBondContact O-N 2.81Å | ||
| 249 | P | 68.8 | Low | 69.5 | Low | 88 Ų | 88 | 34.3 Ų | 34.3 | 57% | 0.571 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -42.9 | -34.2 | 178.4 | -31.5 | 35.9 | 0 | 0 | 0 | 114 | S252 R253 | P249-S252 PolarHBondContact O-N 3.02Å; P249-R253 PolarHBondContact O-N 2.98Å; P249-R253 VanDerWaalsContact O-N 3.17Å |
| 250 | E | 76.7 | Confident | 71 | Confident | 78 Ų | 78 | 33.2 Ų | 33.2 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.2 | -61.7 | 83.4 | 176 | 0 | 0 | 112.9 | F154 L248 S252 R253 I254 | F154-E250 HydrophobicContact CD1-CB 3.99Å; F154-E250 HydrophobicContact CE1-CB 3.57Å; F154-E250 HydrophobicContact CE1-CG 3.74Å; F154-E250 HydrophobicContact CZ-CB 4.23Å; F154-E250 HydrophobicContact CZ-CG 4.32Å; L248-E250 VanDerWaalsContact CB-OE2 3.3Å; L248-E250 WeakPolarHBondContact CB-OE2 3.42Å; L248-E250 PolarHBondContact O-N 2.69Å; E250-S252 PolarHBondContact O-N 3.48Å; E250-R253 WeakPolarHBondContact O-CB 3.48Å; E250-R253 PolarHBondContact O-N 3.48Å; E250-I254 VanDerWaalsContact O-CD1 3.28Å; E250-I254 WeakPolarHBondContact O-CD1 3.49Å; E250-I254 VanDerWaalsContact O-CG1 3.24Å; E250-I254 WeakPolarHBondContact O-CG1 3.38Å; E250-I254 PolarHBondContact O-N 3.03Å |
| 251 | Q | 77.2 | Confident | 72.9 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.8 | -40.4 | 179.1 | -161.3 | 173 | 7.6 | 0 | 0 | 112.2 | F158 S246 Y247 L248 R253 I254 H255 | F158-Q251 HydrophobicContact CD1-CB 4.07Å; F158-Q251 HydrophobicContact CD1-CG 4.04Å; F158-Q251 HydrophobicContact CD2-CG 3.95Å; F158-Q251 HydrophobicContact CE1-CB 3.35Å; F158-Q251 HydrophobicContact CE1-CG 3.73Å; F158-Q251 HydrophobicContact CE2-CB 3.9Å; F158-Q251 HydrophobicContact CE2-CG 3.58Å; F158-Q251 HydrophobicContact CG-CG 4.19Å; F158-Q251 HydrophobicContact CZ-CB 3.25Å; F158-Q251 HydrophobicContact CZ-CG 3.5Å; F158-Q251 VanDerWaalsContact CZ-CG 3.5Å; S246-Q251 VanDerWaalsContact CA-OE1 3.28Å; Y247-Q251 HydrophobicContact CD1-CB 3.54Å; Y247-Q251 HydrophobicContact CD1-CG 3.52Å; Y247-Q251 HydrophobicContact CE1-CB 4.37Å; Y247-Q251 HydrophobicContact CE1-CG 3.86Å; Y247-Q251 HydrophobicContact CG-CB 4.18Å; Y247-Q251 HydrophobicContact CG-CG 4.39Å; L248-Q251 PolarHBondContact O-N 2.84Å; Q251-R253 VanDerWaalsContact C-N 3.26Å; Q251-R253 PolarHBondContact O-N 3.5Å; Q251-I254 PolarHBondContact O-N 2.81Å; Q251-H255 PolarHBondContact O-N 2.9Å |
| 252 | S | 76.5 | Confident | 75.1 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | -179.4 | -79.5 | 0 | 0 | 0 | 0 | 110.3 | Y247 L248 P249 E250 S256 A297 | Y247-S252 WeakPolarHBondContact CB-OG 3.29Å; Y247-S252 WeakPolarHBondContact CD1-OG 3.03Å; L248-S252 PolarHBondContact O-N 2.81Å; P249-S252 PolarHBondContact O-N 3.02Å; E250-S252 PolarHBondContact O-N 3.48Å; S252-S256 PolarHBondContact O-N 3.39Å; S252-A297 PolarHBondContact OG-N 2.88Å |
| 253 | R | 86.6 | Confident | 77.5 | Confident | 41 Ų | 41 | 29.1 Ų | 29.1 | 16% | 0.155 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -49.8 | 172.1 | -173.6 | 177.5 | 177 | 68.8 | 13.1 | 111.2 | P249 E250 Q251 H255 G257 N361 A363 Y364 E373 | P249-R253 PolarHBondContact O-N 2.98Å; P249-R253 VanDerWaalsContact O-N 3.17Å; E250-R253 WeakPolarHBondContact O-CB 3.48Å; E250-R253 PolarHBondContact O-N 3.48Å; Q251-R253 VanDerWaalsContact C-N 3.26Å; Q251-R253 PolarHBondContact O-N 3.5Å; R253-H255 PolarHBondContact O-N 3.17Å; R253-G257 WeakPolarHBondContact O-CA 3.28Å; R253-G257 PolarHBondContact O-N 3.01Å; R253-N361 WeakPolarHBondContact CD-O 3.27Å; R253-N361 PolarHBondContact NH1-O 2.93Å; R253-A363 PolarHBondContact NH1-O 2.98Å; R253-A363 PolarHBondContact NH2-O 3.35Å; R253-Y364 HydrophobicContact CG-CE1 3.94Å; R253-Y364 HydrophobicContact CG-CE2 4.21Å; R253-Y364 VanDerWaalsContact NH2-CE1 3.34Å; R253-Y364 WeakPolarHBondContact O-CE2 3.49Å; R253-E373 WeakPolarHBondContact CD-OE1 3.48Å; R253-E373 WeakPolarHBondContact CD-OE2 3.47Å; R253-E373 IonicContact CZ-OE2 3.55Å; R253-E373 IonicContact NE-OE1 2.67Å; R253-E373 IonicContact NE-OE2 3.13Å; R253-E373 PolarHBondContact NE-OE2 3.48Å |
| 254 | I | 88.3 | Confident | 79.9 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | -179.4 | -68.5 | 156.6 | 0 | 0 | 0 | 113 | C151 F154 F158 E250 Q251 | C151-I254 HydrophobicContact CB-CD1 4.47Å; C151-I254 HydrophobicContact CB-CG2 3.79Å; C151-I254 VanDerWaalsContact SG-CD1 3.57Å; F154-I254 HydrophobicContact CB-CD1 3.61Å; F154-I254 HydrophobicContact CD1-CD1 4.12Å; F154-I254 HydrophobicContact CD2-CD1 3.42Å; F154-I254 VanDerWaalsContact CD2-CD1 3.42Å; F154-I254 HydrophobicContact CD2-CG1 4.4Å; F154-I254 HydrophobicContact CE2-CD1 4.06Å; F154-I254 HydrophobicContact CG-CD1 3.44Å; F154-I254 VanDerWaalsContact CG-CD1 3.44Å; F158-I254 HydrophobicContact CE2-CD1 3.74Å; F158-I254 HydrophobicContact CZ-CD1 3.84Å; E250-I254 VanDerWaalsContact O-CD1 3.28Å; E250-I254 WeakPolarHBondContact O-CD1 3.49Å; E250-I254 VanDerWaalsContact O-CG1 3.24Å; E250-I254 WeakPolarHBondContact O-CG1 3.38Å; E250-I254 PolarHBondContact O-N 3.03Å; Q251-I254 PolarHBondContact O-N 2.81Å |
| 255 | H | 87.5 | Confident | 82.2 | Confident | 20 Ų | 20 | 29 Ų | 29 | 9% | 0.093 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -92.3 | -24.6 | -171.4 | -71.7 | -31.7 | 0 | 0 | 0 | 114.8 | V147 Y247 Q251 R253 S293 | V147-H255 HydrophobicContact CG1-CB 3.92Å; V147-H255 HydrophobicContact CG2-CB 4.37Å; Y247-H255 AromaticContact CE1-CD2 3.91Å; Q251-H255 PolarHBondContact O-N 2.9Å; R253-H255 PolarHBondContact O-N 3.17Å; H255-S293 VanDerWaalsContact CB-OG 3.28Å; H255-S293 WeakPolarHBondContact CB-OG 3.4Å |
| 256 | S | 90.8 | Very high | 84.7 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -129.7 | 1.9 | -178.5 | -67.6 | 0 | 0 | 0 | 0 | 114.1 | S252 H258 L259 V260 S293 L294 | S252-S256 PolarHBondContact O-N 3.39Å; S256-H258 VanDerWaalsContact C-N 3.3Å; S256-H258 PolarHBondContact O-N 3.46Å; S256-L259 WeakPolarHBondContact O-CB 3.3Å; S256-L259 PolarHBondContact O-N 3.18Å; S256-V260 WeakPolarHBondContact O-CG2 3.35Å; S256-V260 PolarHBondContact O-N 2.8Å; S256-S293 VanDerWaalsContact OG-C 3.26Å; S256-S293 WeakPolarHBondContact OG-CB 3.45Å; S256-S293 PolarHBondContact OG-OG 3.02Å; S256-L294 PolarHBondContact OG-N 3.16Å |
| 257 | G | 93.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -38.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R253 L259 V260 G261 V362 Y364 | R253-G257 WeakPolarHBondContact O-CA 3.28Å; R253-G257 PolarHBondContact O-N 3.01Å; G257-L259 VanDerWaalsContact C-N 3.34Å; G257-L259 PolarHBondContact O-N 3.33Å; G257-V260 PolarHBondContact O-N 2.89Å; G257-G261 PolarHBondContact O-N 3.41Å; G257-V362 WeakPolarHBondContact CA-O 3.34Å; G257-Y364 VanDerWaalsContact C-N 3.3Å; G257-Y364 PolarHBondContact O-N 3.48Å |
| 258 | H | 94.8 | Very high | 89.1 | Confident | 15 Ų | 15 | 28.2 Ų | 28.2 | 7% | 0.069 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 173.2 | -81.1 | -69.6 | 0 | 0 | 0 | 112.3 | Y143 S256 T262 Y364 N366 D367 R370 | Y143-H258 WeakPolarHBondContact O-CB 3.24Å; S256-H258 VanDerWaalsContact C-N 3.3Å; S256-H258 PolarHBondContact O-N 3.46Å; H258-T262 WeakPolarHBondContact O-CB 3.14Å; H258-T262 PolarHBondContact O-N 3.48Å; H258-T262 PolarHBondContact O-OG1 2.61Å; H258-Y364 AromaticContact CD2-CD2 3.85Å; H258-Y364 AromaticContact NE2-CD2 4Å; H258-N366 PolarHBondContact CE1-O 3.18Å; H258-D367 IonicContact CE1-OD1 2.76Å; H258-D367 PolarHBondContact CE1-OD1 2.84Å; H258-D367 IonicContact ND1-OD1 3.47Å; H258-R370 VanDerWaalsContact NE2-CB 3.3Å; H258-R370 WeakPolarHBondContact NE2-CB 3.36Å; H258-R370 WeakPolarHBondContact NE2-CD 3.44Å |
| 259 | L | 96.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -44.3 | 179.3 | -174.8 | 54.6 | 0 | 0 | 0 | 111.3 | L7 L144 L145 S256 G257 T262 I263 Y284 T290 L294 | L7-L259 HydrophobicContact CD2-CD2 4.03Å; L144-L259 HydrophobicContact CD1-CB 4.2Å; L144-L259 HydrophobicContact CD1-CD1 3.9Å; L144-L259 HydrophobicContact CG-CD1 4.29Å; L145-L259 HydrophobicContact CD2-CD1 4.24Å; L145-L259 HydrophobicContact CD2-CD2 4.44Å; S256-L259 WeakPolarHBondContact O-CB 3.3Å; S256-L259 PolarHBondContact O-N 3.18Å; G257-L259 VanDerWaalsContact C-N 3.34Å; G257-L259 PolarHBondContact O-N 3.33Å; L259-T262 PolarHBondContact O-N 2.77Å; L259-I263 HydrophobicContact CD1-CD1 4.15Å; L259-I263 HydrophobicContact CD1-CG1 4.41Å; L259-I263 HydrophobicContact CG-CD1 4.03Å; L259-I263 WeakPolarHBondContact O-CD1 3.46Å; L259-I263 VanDerWaalsContact O-CG1 3.22Å; L259-I263 WeakPolarHBondContact O-CG1 3Å; L259-I263 PolarHBondContact O-N 3.23Å; L259-Y284 HydrophobicContact CD1-CD2 4.34Å; L259-Y284 HydrophobicContact CD1-CE2 4.13Å; L259-T290 HydrophobicContact CD2-CG2 4.3Å; L259-L294 HydrophobicContact CD2-CB 4.4Å; L259-L294 HydrophobicContact CD2-CD1 4.4Å; L259-L294 HydrophobicContact CD2-CD2 3.92Å; L259-L294 HydrophobicContact CD2-CG 4.47Å; L259-L294 HydrophobicContact CG-CD1 4.41Å; L259-L294 HydrophobicContact CG-CD2 4.42Å |
| 260 | V | 96.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.1 | -49.3 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | S256 G257 T262 I263 V264 L294 A297 L298 V359 V362 A363 | S256-V260 WeakPolarHBondContact O-CG2 3.35Å; S256-V260 PolarHBondContact O-N 2.8Å; G257-V260 PolarHBondContact O-N 2.89Å; V260-T262 VanDerWaalsContact C-N 3.35Å; V260-T262 PolarHBondContact O-N 3.46Å; V260-I263 PolarHBondContact O-N 2.8Å; V260-V264 WeakPolarHBondContact O-CG2 3.42Å; V260-V264 PolarHBondContact O-N 3.38Å; V260-L294 HydrophobicContact CG2-CD1 3.63Å; V260-A297 HydrophobicContact CG2-CB 4.11Å; V260-L298 HydrophobicContact CG2-CD2 4.47Å; V260-V359 HydrophobicContact CG1-CB 3.82Å; V260-V359 HydrophobicContact CG1-CG2 3.86Å; V260-V362 HydrophobicContact CG1-CG2 4.27Å; V260-A363 HydrophobicContact CB-CB 4.39Å; V260-A363 HydrophobicContact CG1-CB 3.91Å |
| 261 | G | 96.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.6 | -38.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G257 V264 N265 Y364 | G257-G261 PolarHBondContact O-N 3.41Å; G261-V264 PolarHBondContact O-N 3.04Å; G261-N265 VanDerWaalsContact O-CB 3.26Å; G261-N265 WeakPolarHBondContact O-CB 3.49Å; G261-N265 PolarHBondContact O-N 3.23Å; G261-Y364 WeakPolarHBondContact CA-O 3.26Å |
| 262 | T | 96.8 | Very high | 93.5 | Very high | 41 Ų | 41 | 27 Ų | 27 | 25% | 0.252 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 173.4 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | L144 H258 L259 V260 V264 N265 N266 | L144-T262 HydrophobicContact CD1-CG2 4.23Å; H258-T262 WeakPolarHBondContact O-CB 3.14Å; H258-T262 PolarHBondContact O-N 3.48Å; H258-T262 PolarHBondContact O-OG1 2.61Å; L259-T262 PolarHBondContact O-N 2.77Å; V260-T262 VanDerWaalsContact C-N 3.35Å; V260-T262 PolarHBondContact O-N 3.46Å; T262-V264 PolarHBondContact O-N 3.28Å; T262-N265 PolarHBondContact O-N 3.32Å; T262-N266 WeakPolarHBondContact CG2-ND2 3.47Å; T262-N266 VanDerWaalsContact O-CB 3.3Å; T262-N266 WeakPolarHBondContact O-CB 3.15Å; T262-N266 PolarHBondContact O-N 2.65Å; T262-N266 PolarHBondContact O-ND2 3.04Å |
| 263 | I | 97.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -49.5 | 177.1 | -70.2 | 161.2 | 0 | 0 | 0 | 110.3 | F5 L259 V260 N265 N266 M267 L294 I314 | F5-I263 HydrophobicContact CB-CG1 4.48Å; F5-I263 HydrophobicContact CD1-CB 4.43Å; F5-I263 HydrophobicContact CD1-CG1 3.91Å; F5-I263 HydrophobicContact CD1-CG2 4.39Å; F5-I263 HydrophobicContact CD2-CG2 4Å; F5-I263 HydrophobicContact CE1-CB 4.46Å; F5-I263 HydrophobicContact CE1-CG1 4.36Å; F5-I263 HydrophobicContact CE1-CG2 4.47Å; F5-I263 HydrophobicContact CE2-CG2 4.1Å; F5-I263 HydrophobicContact CG-CG1 4.16Å; F5-I263 HydrophobicContact CG-CG2 4.17Å; F5-I263 HydrophobicContact CZ-CG2 4.33Å; F5-I263 WeakPolarHBondContact CZ-O 3.41Å; L259-I263 HydrophobicContact CD1-CD1 4.15Å; L259-I263 HydrophobicContact CD1-CG1 4.41Å; L259-I263 HydrophobicContact CG-CD1 4.03Å; L259-I263 WeakPolarHBondContact O-CD1 3.46Å; L259-I263 VanDerWaalsContact O-CG1 3.22Å; L259-I263 WeakPolarHBondContact O-CG1 3Å; L259-I263 PolarHBondContact O-N 3.23Å; V260-I263 PolarHBondContact O-N 2.8Å; I263-N265 PolarHBondContact O-N 3.43Å; I263-N266 PolarHBondContact O-N 2.68Å; I263-M267 HydrophobicContact CG2-CE 3.74Å; I263-M267 HydrophobicContact CG2-SD 4.35Å; I263-M267 WeakPolarHBondContact O-CG 3.38Å; I263-M267 PolarHBondContact O-N 3.2Å; I263-L294 HydrophobicContact CD1-CD1 4.39Å; I263-L294 HydrophobicContact CD1-CD2 4.29Å; I263-I314 HydrophobicContact CD1-CD1 3.95Å; I263-I314 HydrophobicContact CG2-CG2 4.26Å |
| 264 | V | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 179 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | V260 G261 T262 M267 K268 F355 Q356 V359 Y365 | V260-V264 WeakPolarHBondContact O-CG2 3.42Å; V260-V264 PolarHBondContact O-N 3.38Å; G261-V264 PolarHBondContact O-N 3.04Å; T262-V264 PolarHBondContact O-N 3.28Å; V264-M267 PolarHBondContact O-N 2.97Å; V264-K268 HydrophobicContact CG1-CD 4.2Å; V264-K268 WeakPolarHBondContact O-CG 3.13Å; V264-K268 PolarHBondContact O-N 3.27Å; V264-F355 HydrophobicContact CG2-CD1 4.32Å; V264-F355 HydrophobicContact CG2-CE1 3.76Å; V264-Q356 HydrophobicContact CG1-CG 3.84Å; V264-V359 HydrophobicContact CG2-CG2 3.63Å; V264-Y365 HydrophobicContact CB-CE1 4.28Å; V264-Y365 HydrophobicContact CG1-CE1 3.96Å |
| 265 | N | 96.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 39 Ų | 39 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | -178.8 | -169.8 | 48.8 | 0 | 0 | 0 | 111.3 | G261 T262 I263 M267 K268 L269 | G261-N265 VanDerWaalsContact O-CB 3.26Å; G261-N265 WeakPolarHBondContact O-CB 3.49Å; G261-N265 PolarHBondContact O-N 3.23Å; T262-N265 PolarHBondContact O-N 3.32Å; I263-N265 PolarHBondContact O-N 3.43Å; N265-M267 VanDerWaalsContact C-N 3.33Å; N265-M267 PolarHBondContact O-N 2.89Å; N265-K268 WeakPolarHBondContact O-CB 3.34Å; N265-K268 PolarHBondContact O-N 3.13Å; N265-K268 VanDerWaalsContact O-N 3.11Å; N265-L269 WeakPolarHBondContact O-CG 3.05Å; N265-L269 PolarHBondContact O-N 2.82Å |
| 266 | N | 96.7 | Very high | 95 | Very high | 27 Ų | 27 | 40 Ų | 40 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -35.2 | 178.2 | -71.2 | -13.9 | 0 | 0 | 0 | 112.2 | F5 T262 I263 K270 F282 | F5-N266 HydrophobicContact CE1-CB 3.6Å; F5-N266 HydrophobicContact CZ-CB 3.56Å; T262-N266 WeakPolarHBondContact CG2-ND2 3.47Å; T262-N266 VanDerWaalsContact O-CB 3.3Å; T262-N266 WeakPolarHBondContact O-CB 3.15Å; T262-N266 PolarHBondContact O-N 2.65Å; T262-N266 PolarHBondContact O-ND2 3.04Å; I263-N266 PolarHBondContact O-N 2.68Å; N266-K270 WeakPolarHBondContact O-CB 3.36Å; N266-K270 PolarHBondContact O-N 3.37Å; N266-F282 HydrophobicContact CB-CE2 3.74Å; N266-F282 HydrophobicContact CB-CZ 4.12Å; N266-F282 WeakPolarHBondContact ND2-CE2 3.4Å; N266-F282 WeakPolarHBondContact ND2-CZ 3.33Å |
| 267 | M | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 169.8 | -72.5 | 179.3 | 178.9 | 0 | 0 | 111.7 | I3 F5 I263 V264 N265 K270 V271 I314 L316 V326 L352 F355 | I3-M267 HydrophobicContact CG2-CG 4.47Å; F5-M267 HydrophobicContact CD2-CE 3.91Å; F5-M267 HydrophobicContact CE2-CE 3.7Å; F5-M267 HydrophobicContact CE2-CG 3.57Å; F5-M267 HydrophobicContact CE2-SD 4.49Å; F5-M267 HydrophobicContact CZ-CG 3.99Å; I263-M267 HydrophobicContact CG2-CE 3.74Å; I263-M267 HydrophobicContact CG2-SD 4.35Å; I263-M267 WeakPolarHBondContact O-CG 3.38Å; I263-M267 PolarHBondContact O-N 3.2Å; V264-M267 PolarHBondContact O-N 2.97Å; N265-M267 VanDerWaalsContact C-N 3.33Å; N265-M267 PolarHBondContact O-N 2.89Å; M267-K270 PolarHBondContact O-N 3.41Å; M267-V271 WeakPolarHBondContact O-CG2 3.44Å; M267-V271 PolarHBondContact O-N 3.41Å; M267-I314 HydrophobicContact CE-CG2 3.56Å; M267-L316 HydrophobicContact CB-CD2 4.09Å; M267-L316 HydrophobicContact CE-CB 4.47Å; M267-L316 HydrophobicContact CG-CB 4.31Å; M267-L316 HydrophobicContact CG-CD1 4.41Å; M267-L316 HydrophobicContact CG-CD2 4.19Å; M267-L316 HydrophobicContact SD-CD1 4.23Å; M267-V326 HydrophobicContact CE-CG1 4.01Å; M267-V326 HydrophobicContact CE-CG2 3.98Å; M267-V326 HydrophobicContact SD-CG2 3.75Å; M267-L352 HydrophobicContact CB-CD1 4.09Å; M267-L352 HydrophobicContact SD-CD1 3.76Å; M267-F355 HydrophobicContact SD-CD1 4.46Å; M267-F355 HydrophobicContact SD-CE1 4.22Å |
| 268 | K | 95.7 | Very high | 95.3 | Very high | 101 Ų | 101 | 44.8 Ų | 44.8 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 178.6 | -72.5 | 175.2 | 64.5 | -174.7 | 0 | 112.2 | V264 N265 K270 V271 A272 | V264-K268 HydrophobicContact CG1-CD 4.2Å; V264-K268 WeakPolarHBondContact O-CG 3.13Å; V264-K268 PolarHBondContact O-N 3.27Å; N265-K268 WeakPolarHBondContact O-CB 3.34Å; N265-K268 PolarHBondContact O-N 3.13Å; N265-K268 VanDerWaalsContact O-N 3.11Å; K268-K270 VanDerWaalsContact C-N 3.29Å; K268-K270 PolarHBondContact O-N 2.67Å; K268-V271 PolarHBondContact O-N 2.78Å; K268-A272 WeakPolarHBondContact O-CB 3.4Å; K268-A272 PolarHBondContact O-N 2.85Å |
| 269 | L | 95.5 | Very high | 95.3 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 38% | 0.382 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.1 | -44.5 | 175.9 | -70.7 | 173.2 | 0 | 0 | 0 | 110.6 | N265 V271 A272 D273 T276 | N265-L269 WeakPolarHBondContact O-CG 3.05Å; N265-L269 PolarHBondContact O-N 2.82Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-V271 PolarHBondContact O-N 2.75Å; L269-A272 PolarHBondContact O-N 3.45Å; L269-D273 PolarHBondContact O-N 3.2Å; L269-T276 HydrophobicContact CB-CG2 4.2Å |
| 270 | K | 94.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 177.4 | -175.2 | 66.2 | -172.8 | -173.6 | 0 | 113.8 | G2 I3 N266 M267 K268 D273 Q274 T279 | G2-K270 VanDerWaalsContact O-CE 3.28Å; G2-K270 WeakPolarHBondContact O-CE 3.03Å; I3-K270 HydrophobicContact CB-CG 4.08Å; I3-K270 HydrophobicContact CG2-CB 4.22Å; I3-K270 HydrophobicContact CG2-CG 4.09Å; N266-K270 WeakPolarHBondContact O-CB 3.36Å; N266-K270 PolarHBondContact O-N 3.37Å; M267-K270 PolarHBondContact O-N 3.41Å; K268-K270 VanDerWaalsContact C-N 3.29Å; K268-K270 PolarHBondContact O-N 2.67Å; K270-D273 CarbonylContact O-C 3.49Å; K270-Q274 PolarHBondContact NZ-O 3.4Å; K270-Q274 PolarHBondContact O-N 2.72Å; K270-T279 WeakPolarHBondContact CE-O 3.34Å; K270-T279 PolarHBondContact NZ-O 2.81Å |
| 271 | V | 94.1 | Very high | 95.4 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 30% | 0.297 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.8 | -41.9 | 175 | 169.4 | 0 | 0 | 0 | 0 | 111 | M267 K268 L269 L316 Y324 L352 | M267-V271 WeakPolarHBondContact O-CG2 3.44Å; M267-V271 PolarHBondContact O-N 3.41Å; K268-V271 PolarHBondContact O-N 2.78Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-V271 PolarHBondContact O-N 2.75Å; V271-L316 HydrophobicContact CG2-CD2 4.02Å; V271-Y324 HydrophobicContact CB-CE2 4.2Å; V271-Y324 HydrophobicContact CG1-CD2 3.98Å; V271-Y324 HydrophobicContact CG1-CE2 3.54Å; V271-Y324 HydrophobicContact CG2-CD1 3.86Å; V271-Y324 HydrophobicContact CG2-CD2 3.74Å; V271-Y324 HydrophobicContact CG2-CE1 3.86Å; V271-Y324 HydrophobicContact CG2-CE2 3.77Å; V271-Y324 HydrophobicContact CG2-CG 3.79Å; V271-L352 HydrophobicContact CG2-CD2 3.74Å |
| 272 | A | 94.9 | Very high | 95.5 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 74% | 0.736 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.4 | -38.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K268 L269 | K268-A272 WeakPolarHBondContact O-CB 3.4Å; K268-A272 PolarHBondContact O-N 2.85Å; L269-A272 PolarHBondContact O-N 3.45Å |
| 273 | D | 94.3 | Very high | 95.6 | Very high | 64 Ų | 64 | 46 Ų | 46 | 34% | 0.342 | 26% | 0.258 | S | S | . | . | trans | -142.3 | 109 | 178.6 | 168.1 | 31.3 | 0 | 0 | 0 | 110.4 | L269 K270 T275 T276 | L269-D273 PolarHBondContact O-N 3.2Å; K270-D273 CarbonylContact O-C 3.49Å; D273-T275 VanDerWaalsContact CG-OG1 3.24Å; D273-T275 PolarHBondContact O-N 2.85Å; D273-T275 VanDerWaalsContact O-N 3.16Å; D273-T275 WeakPolarHBondContact OD1-CA 3.32Å; D273-T275 WeakPolarHBondContact OD1-CB 3.41Å; D273-T275 PolarHBondContact OD1-N 3.13Å; D273-T275 PolarHBondContact OD1-OG1 3.48Å; D273-T275 PolarHBondContact OD2-OG1 2.92Å; D273-T275 VanDerWaalsContact OD2-OG1 3.08Å; D273-T276 WeakPolarHBondContact O-CB 3.38Å; D273-T276 PolarHBondContact O-N 2.85Å; D273-T276 PolarHBondContact O-OG1 3.46Å; D273-T276 PolarHBondContact OD2-N 3.32Å; D273-T276 VanDerWaalsContact OD2-N 3.13Å; D273-T276 PolarHBondContact OD2-OG1 3.21Å | ||
| 274 | Q | 88.8 | Confident | 95.6 | Very high | 130 Ų | 130 | 46 Ų | 46 | 61% | 0.607 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -11.7 | 179.3 | -62.4 | -174.1 | 17.3 | 0 | 0 | 112.9 | K270 | K270-Q274 PolarHBondContact NZ-O 3.4Å; K270-Q274 PolarHBondContact O-N 2.72Å |
| 275 | T | 92 | Very high | 95.7 | Very high | 107 Ų | 107 | 46 Ų | 46 | 66% | 0.656 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -9.1 | 177.2 | 73.9 | 0 | 0 | 0 | 0 | 113.5 | D273 T277 | D273-T275 VanDerWaalsContact CG-OG1 3.24Å; D273-T275 PolarHBondContact O-N 2.85Å; D273-T275 VanDerWaalsContact O-N 3.16Å; D273-T275 WeakPolarHBondContact OD1-CA 3.32Å; D273-T275 WeakPolarHBondContact OD1-CB 3.41Å; D273-T275 PolarHBondContact OD1-N 3.13Å; D273-T275 PolarHBondContact OD1-OG1 3.48Å; D273-T275 PolarHBondContact OD2-OG1 2.92Å; D273-T275 VanDerWaalsContact OD2-OG1 3.08Å; T275-T277 PolarHBondContact O-N 2.94Å |
| 276 | T | 93.9 | Very high | 95.7 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 26% | 0.258 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -54.8 | 130.1 | 177.1 | -67.2 | 0 | 0 | 0 | 0 | 111.1 | L269 D273 P278 T279 | L269-T276 HydrophobicContact CB-CG2 4.2Å; D273-T276 WeakPolarHBondContact O-CB 3.38Å; D273-T276 PolarHBondContact O-N 2.85Å; D273-T276 PolarHBondContact O-OG1 3.46Å; D273-T276 PolarHBondContact OD2-N 3.32Å; D273-T276 VanDerWaalsContact OD2-N 3.13Å; D273-T276 PolarHBondContact OD2-OG1 3.21Å; T276-P278 CarbonylContact O-C 3.57Å; T276-T279 WeakPolarHBondContact O-CA 2.94Å |
| 277 | T | 94.4 | Very high | 95.7 | Very high | 91 Ų | 91 | 42.3 Ų | 42.3 | 56% | 0.558 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -89.6 | 148.5 | 179.5 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | T275 T279 | T275-T277 PolarHBondContact O-N 2.94Å; T277-T279 HydrophobicContact CG2-CG2 4.29Å |
| 278 | P | 96.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 7% | 0.071 | 25% | 0.247 | C | C | . | . | S | Bend | cis | -63.1 | 135.7 | -12.4 | 32.5 | -38.3 | 0 | 0 | 0 | 110.7 | Q92 T276 K280 M281 F282 | Q92-P278 WeakPolarHBondContact O-CB 3.39Å; T276-P278 CarbonylContact O-C 3.57Å; P278-K280 PolarHBondContact O-N 3.15Å; P278-M281 WeakPolarHBondContact CB-O 3.41Å; P278-M281 WeakPolarHBondContact CG-O 3.43Å; P278-F282 HydrophobicContact CG-CD1 3.88Å; P278-F282 HydrophobicContact CG-CD2 3.73Å; P278-F282 HydrophobicContact CG-CE1 3.66Å; P278-F282 HydrophobicContact CG-CE2 3.51Å; P278-F282 HydrophobicContact CG-CG 3.92Å; P278-F282 HydrophobicContact CG-CZ 3.49Å; P278-F282 VanDerWaalsContact CG-CZ 3.49Å |
| 279 | T | 94.7 | Very high | 95.1 | Very high | 32 Ų | 32 | 41 Ų | 41 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -72.8 | -16.8 | -173.6 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | S91 Q92 K270 T276 T277 | S91-T279 PolarHBondContact O-N 2.94Å; S91-T279 PolarHBondContact O-OG1 3.38Å; Q92-T279 WeakPolarHBondContact CA-OG1 3.44Å; K270-T279 WeakPolarHBondContact CE-O 3.34Å; K270-T279 PolarHBondContact NZ-O 2.81Å; T276-T279 WeakPolarHBondContact O-CA 2.94Å; T277-T279 HydrophobicContact CG2-CG2 4.29Å |
| 280 | K | 96.8 | Very high | 95 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 15% | 0.148 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -131.8 | -38.5 | -173.1 | -60.2 | -172.2 | -179.6 | 176.2 | 0 | 114.5 | I3 N4 F83 L84 D85 Q92 P278 | I3-K280 CarbonylContact C-O 3.57Å; I3-K280 WeakPolarHBondContact CA-O 3.34Å; N4-K280 PolarHBondContact N-O 2.94Å; F83-K280 HydrophobicContact CE1-CB 3.77Å; F83-K280 HydrophobicContact CE1-CG 4.47Å; F83-K280 WeakPolarHBondContact CE1-O 3.34Å; F83-K280 HydrophobicContact CE2-CB 4.31Å; F83-K280 HydrophobicContact CE2-CD 4.46Å; F83-K280 HydrophobicContact CE2-CG 4.22Å; F83-K280 HydrophobicContact CZ-CB 3.6Å; F83-K280 HydrophobicContact CZ-CD 4.49Å; F83-K280 HydrophobicContact CZ-CG 4.01Å; F83-K280 WeakPolarHBondContact CZ-O 3.28Å; F83-K280 WeakPolarHBondContact O-CD 3.15Å; F83-K280 WeakPolarHBondContact O-CE 3.22Å; F83-K280 PolarHBondContact O-NZ 2.9Å; L84-K280 HydrophobicContact CD2-CB 3.83Å; L84-K280 HydrophobicContact CD2-CD 4.01Å; D85-K280 IonicContact OD1-NZ 3.13Å; D85-K280 PolarHBondContact OD1-NZ 3.36Å; Q92-K280 HydrophobicContact CB-CB 4.26Å; Q92-K280 HydrophobicContact CB-CD 4.08Å; Q92-K280 HydrophobicContact CB-CG 4.17Å; Q92-K280 VanDerWaalsContact CD-NZ 3.28Å; Q92-K280 HydrophobicContact CG-CD 3.86Å; Q92-K280 HydrophobicContact CG-CG 4.14Å; Q92-K280 VanDerWaalsContact NE2-CE 3.26Å; Q92-K280 CarbonylContact O-C 3.57Å; Q92-K280 WeakPolarHBondContact O-CA 3.39Å; Q92-K280 WeakPolarHBondContact O-CB 3.33Å; Q92-K280 PolarHBondContact O-N 3.39Å; P278-K280 PolarHBondContact O-N 3.15Å |
| 281 | M | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 133.2 | -167.9 | -168.9 | 169.5 | -73.8 | 0 | 0 | 115.1 | N4 Q6 Y80 L84 Q92 I93 Y94 P278 M283 | N4-M281 HydrophobicContact CB-CE 3.99Å; N4-M281 HydrophobicContact CB-CG 4.33Å; N4-M281 CarbonylContact O-C 3.57Å; N4-M281 VanDerWaalsContact O-CA 3.28Å; N4-M281 WeakPolarHBondContact O-CA 3.47Å; Q6-M281 HydrophobicContact CG-CG 4.28Å; Q6-M281 HydrophobicContact CG-SD 4.26Å; Q6-M281 PolarHBondContact NE2-SD 2.94Å; Q6-M281 PolarHBondContact OE1-SD 3.39Å; Y80-M281 HydrophobicContact CD2-CE 3.77Å; Y80-M281 HydrophobicContact CE2-CE 4.03Å; Y80-M281 HydrophobicContact CG-CE 4.11Å; L84-M281 HydrophobicContact CD1-CE 3.57Å; L84-M281 HydrophobicContact CD1-SD 4.01Å; L84-M281 HydrophobicContact CD2-CB 4.4Å; L84-M281 HydrophobicContact CD2-CE 4.05Å; L84-M281 HydrophobicContact CG-CE 4.03Å; Q92-M281 PolarHBondContact O-N 3.49Å; I93-M281 CarbonylContact C-O 3.45Å; I93-M281 VanDerWaalsContact CA-O 3.3Å; I93-M281 WeakPolarHBondContact CA-O 3.33Å; I93-M281 HydrophobicContact CB-CB 4.4Å; I93-M281 HydrophobicContact CG2-CB 4Å; Y94-M281 PolarHBondContact N-O 3.14Å; P278-M281 WeakPolarHBondContact CB-O 3.41Å; P278-M281 WeakPolarHBondContact CG-O 3.43Å; M281-M283 HydrophobicContact SD-CE 4.37Å |
| 282 | F | 98.5 | Very high | 94.7 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 8% | 0.083 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.9 | 159.7 | -74.4 | -86.1 | 0 | 0 | 0 | 109.2 | I3 N4 F5 Q6 Y94 N266 P278 Y284 | I3-F282 HydrophobicContact CD1-CD2 3.65Å; I3-F282 HydrophobicContact CD1-CE2 3.48Å; I3-F282 VanDerWaalsContact CD1-CE2 3.48Å; I3-F282 HydrophobicContact CG1-CD2 4.25Å; N4-F282 PolarHBondContact O-N 3.41Å; F5-F282 WeakPolarHBondContact CA-O 3.21Å; F5-F282 HydrophobicContact CD1-CB 3.72Å; F5-F282 AromaticContact CD1-CD2 3.73Å; F5-F282 HydrophobicContact CD1-CD2 3.73Å; F5-F282 AromaticContact CD1-CG 3.97Å; F5-F282 HydrophobicContact CD1-CG 3.97Å; F5-F282 HydrophobicContact CE1-CB 4.23Å; F5-F282 AromaticContact CE1-CD2 3.33Å; F5-F282 HydrophobicContact CE1-CD2 3.33Å; F5-F282 AromaticContact CE1-CE2 3.86Å; F5-F282 HydrophobicContact CE1-CE2 3.86Å; F5-F282 AromaticContact CE1-CG 3.96Å; F5-F282 HydrophobicContact CE1-CG 3.96Å; F5-F282 HydrophobicContact CG-CB 4.49Å; F5-F282 HydrophobicContact CZ-CD2 4.06Å; F5-F282 HydrophobicContact CZ-CE2 4.38Å; Q6-F282 PolarHBondContact N-O 3.49Å; Y94-F282 AromaticContact CD1-CD1 3.79Å; Y94-F282 HydrophobicContact CD1-CD1 3.79Å; Y94-F282 HydrophobicContact CD1-CE1 4.06Å; Y94-F282 HydrophobicContact CG-CD1 4.36Å; Y94-F282 HydrophobicContact CG-CE1 4.44Å; N266-F282 HydrophobicContact CB-CE2 3.74Å; N266-F282 HydrophobicContact CB-CZ 4.12Å; N266-F282 WeakPolarHBondContact ND2-CE2 3.4Å; N266-F282 WeakPolarHBondContact ND2-CZ 3.33Å; P278-F282 HydrophobicContact CG-CD1 3.88Å; P278-F282 HydrophobicContact CG-CD2 3.73Å; P278-F282 HydrophobicContact CG-CE1 3.66Å; P278-F282 HydrophobicContact CG-CE2 3.51Å; P278-F282 HydrophobicContact CG-CG 3.92Å; P278-F282 HydrophobicContact CG-CZ 3.49Å; P278-F282 VanDerWaalsContact CG-CZ 3.49Å; F282-Y284 HydrophobicContact CB-CE2 3.93Å; F282-Y284 WeakPolarHBondContact CD1-OH 3.41Å |
| 283 | M | 98.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.9 | 179.7 | -174.4 | -174.7 | -76 | 0 | 0 | 110.4 | Q6 Y8 L76 Y94 V95 R96 L111 L114 M281 | Q6-M283 CarbonylContact O-C 3.57Å; Q6-M283 VanDerWaalsContact OE1-CE 3.28Å; Y8-M283 HydrophobicContact CD1-CG 4.39Å; Y8-M283 HydrophobicContact CE1-CG 3.41Å; Y8-M283 VanDerWaalsContact CE1-CG 3.41Å; Y8-M283 HydrophobicContact CE1-SD 3.74Å; Y8-M283 PolarHBondContact OH-SD 2.95Å; L76-M283 HydrophobicContact CD2-CE 4.33Å; Y94-M283 PolarHBondContact O-N 2.8Å; V95-M283 WeakPolarHBondContact CA-O 3.44Å; V95-M283 HydrophobicContact CB-CB 4.47Å; V95-M283 HydrophobicContact CG1-CB 4.17Å; V95-M283 HydrophobicContact CG1-CG 4.19Å; V95-M283 HydrophobicContact CG1-SD 3.98Å; V95-M283 HydrophobicContact CG2-CB 4.26Å; V95-M283 HydrophobicContact CG2-SD 4.32Å; R96-M283 PolarHBondContact N-O 3.4Å; L111-M283 HydrophobicContact CD2-CE 4.25Å; L111-M283 HydrophobicContact CD2-SD 3.99Å; L114-M283 HydrophobicContact CD2-CE 3.57Å; M281-M283 HydrophobicContact SD-CE 4.37Å |
| 284 | Y | 98.7 | Very high | 94.4 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 110.1 | -175.2 | -58.4 | -62.1 | 0 | 0 | 0 | 110.9 | F5 Q6 L7 Y8 R96 L144 L145 L259 F282 | F5-Y284 HydrophobicContact CD1-CE2 4.34Å; Q6-Y284 WeakPolarHBondContact O-CB 3.36Å; Q6-Y284 PolarHBondContact O-N 3.34Å; L7-Y284 VanDerWaalsContact CD1-CB 3.49Å; L7-Y284 HydrophobicContact CD1-CG 4.44Å; Y8-Y284 PolarHBondContact N-O 3.16Å; R96-Y284 HydrophobicContact CB-CD1 3.79Å; R96-Y284 HydrophobicContact CB-CE1 4.03Å; R96-Y284 HydrophobicContact CG-CD1 4.17Å; R96-Y284 HydrophobicContact CG-CE1 4.39Å; R96-Y284 CarbonylContact O-C 3.4Å; R96-Y284 VanDerWaalsContact O-CA 3.27Å; R96-Y284 WeakPolarHBondContact O-CA 3.31Å; L144-Y284 HydrophobicContact CD2-CE1 4.05Å; L145-Y284 HydrophobicContact CD1-CD1 3.99Å; L145-Y284 HydrophobicContact CD2-CD1 3.76Å; L145-Y284 HydrophobicContact CD2-CG 3.83Å; L145-Y284 HydrophobicContact CG-CD1 4.35Å; L259-Y284 HydrophobicContact CD1-CD2 4.34Å; L259-Y284 HydrophobicContact CD1-CE2 4.13Å; F282-Y284 HydrophobicContact CB-CE2 3.93Å; F282-Y284 WeakPolarHBondContact CD1-OH 3.41Å |
| 285 | S | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.9 | 172.9 | -177 | 0 | 0 | 0 | 0 | 110.1 | Y8 R96 S97 T98 T103 | Y8-S285 VanDerWaalsContact CE2-CB 3.44Å; Y8-S285 WeakPolarHBondContact CE2-OG 3.42Å; R96-S285 PolarHBondContact O-N 3Å; S97-S285 WeakPolarHBondContact CA-O 3.31Å; T98-S285 PolarHBondContact N-O 2.75Å; T98-S285 VanDerWaalsContact N-O 3.14Å; T103-S285 PolarHBondContact O-OG 2.99Å |
| 286 | A | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | -144.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L7 Y8 H10 T98 L145 T290 | L7-A286 HydrophobicContact CD1-CB 3.89Å; Y8-A286 PolarHBondContact O-N 2.98Å; H10-A286 PolarHBondContact CD2-O 3.5Å; H10-A286 VanDerWaalsContact CD2-O 3.26Å; H10-A286 PolarHBondContact N-O 3.22Å; T98-A286 HydrophobicContact CG2-CB 4.38Å; L145-A286 HydrophobicContact CB-CB 4.41Å; A286-T290 HydrophobicContact CB-CG2 3.9Å |
| 287 | H | 95.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 16.5 Ų | 16.5 | 8% | 0.083 | 10% | 0.097 | C | C | . | . | trans | -120.9 | 167.3 | -171.6 | -54.9 | -68.2 | 0 | 0 | 0 | 112.6 | H10 T98 Y100 R102 A289 T290 L291 | H10-H287 AromaticContact CD2-CE1 3.91Å; H10-H287 AromaticContact CD2-ND1 3.31Å; H10-H287 PolarHBondContact CD2-ND1 3.42Å; H10-H287 VanDerWaalsContact CD2-ND1 3.31Å; H10-H287 AromaticContact NE2-ND1 3.37Å; H10-H287 PolarHBondContact NE2-ND1 3.42Å; T98-H287 PolarHBondContact OG1-NE2 3.17Å; Y100-H287 AromaticContact CD2-CE1 3.52Å; Y100-H287 AromaticContact CD2-NE2 3.28Å; Y100-H287 VanDerWaalsContact CD2-NE2 3.28Å; Y100-H287 WeakPolarHBondContact CD2-NE2 3.38Å; Y100-H287 AromaticContact CE2-CE1 3.95Å; Y100-H287 AromaticContact CE2-NE2 3.42Å; Y100-H287 WeakPolarHBondContact CE2-NE2 3.13Å; R102-H287 PolarHBondContact NH2-CE1 2.63Å; R102-H287 VanDerWaalsContact NH2-CE1 3.29Å; H287-A289 VanDerWaalsContact C-N 3.27Å; H287-A289 PolarHBondContact O-N 3.26Å; H287-T290 PolarHBondContact N-OG1 2.96Å; H287-T290 PolarHBondContact O-N 2.92Å; H287-L291 PolarHBondContact O-N 2.89Å | ||
| 288 | D | 91.5 | Very high | 94.2 | Very high | 40 Ų | 40 | 12.4 Ų | 12.4 | 21% | 0.214 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -53.6 | -46.5 | 166.5 | 38.1 | 15.4 | 0 | 0 | 0 | 111.1 | R9 T290 L291 V292 V305 | R9-D288 HydrophobicContact CG-CB 4.48Å; R9-D288 IonicContact CZ-OD2 2.65Å; R9-D288 IonicContact NE-OD2 2.84Å; R9-D288 PolarHBondContact NE-OD2 3.44Å; R9-D288 IonicContact NH2-OD2 3.74Å; R9-D288 PolarHBondContact NH2-OD2 3.28Å; D288-T290 VanDerWaalsContact C-N 3.28Å; D288-T290 PolarHBondContact O-N 2.98Å; D288-L291 PolarHBondContact O-N 2.97Å; D288-V292 WeakPolarHBondContact O-CB 3.39Å; D288-V292 VanDerWaalsContact O-CG2 3.28Å; D288-V292 WeakPolarHBondContact O-CG2 3.45Å; D288-V292 PolarHBondContact O-N 3.36Å; D288-V305 HydrophobicContact CB-CG1 3.87Å |
| 289 | A | 89.5 | Confident | 93.9 | Very high | 35 Ų | 35 | 17.5 Ų | 17.5 | 29% | 0.289 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -58.7 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | V147 H287 S293 | V147-A289 HydrophobicContact CB-CB 4.34Å; H287-A289 VanDerWaalsContact C-N 3.27Å; H287-A289 PolarHBondContact O-N 3.26Å; A289-S293 WeakPolarHBondContact O-CB 3.19Å; A289-S293 PolarHBondContact O-N 3.36Å |
| 290 | T | 92.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.1 | -46.7 | 177.7 | -43.7 | 0 | 0 | 0 | 0 | 111.1 | L7 L145 L259 A286 H287 D288 S293 L294 | L7-T290 HydrophobicContact CD1-CG2 4Å; L7-T290 HydrophobicContact CD2-CG2 4.1Å; L145-T290 WeakPolarHBondContact O-CG2 3.31Å; L145-T290 PolarHBondContact O-OG1 2.93Å; L259-T290 HydrophobicContact CD2-CG2 4.3Å; A286-T290 HydrophobicContact CB-CG2 3.9Å; H287-T290 PolarHBondContact N-OG1 2.96Å; H287-T290 PolarHBondContact O-N 2.92Å; D288-T290 VanDerWaalsContact C-N 3.28Å; D288-T290 PolarHBondContact O-N 2.98Å; T290-S293 PolarHBondContact O-N 3.33Å; T290-L294 WeakPolarHBondContact O-CB 3.34Å; T290-L294 PolarHBondContact O-N 2.85Å |
| 291 | L | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 176.5 | -85 | 160.5 | 0 | 0 | 0 | 111.9 | L7 R9 H287 D288 S293 L294 M295 P306 A310 L312 | L7-L291 HydrophobicContact CB-CD2 4.29Å; L7-L291 HydrophobicContact CD2-CD2 3.89Å; L7-L291 HydrophobicContact CD2-CG 4.06Å; L7-L291 HydrophobicContact CG-CD2 3.96Å; L7-L291 HydrophobicContact CG-CG 4.11Å; R9-L291 HydrophobicContact CB-CD1 3.88Å; H287-L291 PolarHBondContact O-N 2.89Å; D288-L291 PolarHBondContact O-N 2.97Å; L291-S293 VanDerWaalsContact C-N 3.34Å; L291-S293 PolarHBondContact O-N 3.08Å; L291-L294 PolarHBondContact O-N 3.47Å; L291-M295 WeakPolarHBondContact O-CB 3.15Å; L291-M295 WeakPolarHBondContact O-CG 3.33Å; L291-M295 PolarHBondContact O-N 3.26Å; L291-P306 HydrophobicContact CB-CB 4.32Å; L291-P306 HydrophobicContact CB-CG 3.75Å; L291-P306 HydrophobicContact CD1-CB 3.87Å; L291-P306 HydrophobicContact CD1-CG 4.22Å; L291-A310 HydrophobicContact CD1-CB 4.49Å; L291-L312 HydrophobicContact CD2-CB 3.53Å |
| 292 | V | 89.7 | Confident | 92.9 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.03 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56 | -50.9 | 177.3 | 164.6 | 0 | 0 | 0 | 0 | 110.7 | T242 Y247 D288 L294 M295 N296 P306 | T242-V292 HydrophobicContact CG2-CB 3.98Å; T242-V292 HydrophobicContact CG2-CG1 3.31Å; T242-V292 HydrophobicContact CG2-CG2 3.43Å; T242-V292 VanDerWaalsContact CG2-CG2 3.43Å; Y247-V292 HydrophobicContact CE2-CG1 3.93Å; D288-V292 WeakPolarHBondContact O-CB 3.39Å; D288-V292 VanDerWaalsContact O-CG2 3.28Å; D288-V292 WeakPolarHBondContact O-CG2 3.45Å; D288-V292 PolarHBondContact O-N 3.36Å; V292-L294 VanDerWaalsContact C-N 3.31Å; V292-L294 PolarHBondContact O-N 3.45Å; V292-M295 PolarHBondContact O-N 3.19Å; V292-N296 VanDerWaalsContact CG1-ND2 3.35Å; V292-N296 WeakPolarHBondContact CG1-ND2 3.02Å; V292-N296 WeakPolarHBondContact O-CB 3.45Å; V292-N296 VanDerWaalsContact O-CG 3.31Å; V292-N296 PolarHBondContact O-N 3.05Å; V292-N296 PolarHBondContact O-ND2 2.05Å; V292-P306 HydrophobicContact CG2-CG 3.94Å |
| 293 | S | 89.1 | Confident | 92.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | -176.5 | -174 | 0 | 0 | 0 | 0 | 111.2 | H255 S256 A289 T290 L291 A297 | H255-S293 VanDerWaalsContact CB-OG 3.28Å; H255-S293 WeakPolarHBondContact CB-OG 3.4Å; S256-S293 VanDerWaalsContact OG-C 3.26Å; S256-S293 WeakPolarHBondContact OG-CB 3.45Å; S256-S293 PolarHBondContact OG-OG 3.02Å; A289-S293 WeakPolarHBondContact O-CB 3.19Å; A289-S293 PolarHBondContact O-N 3.36Å; T290-S293 PolarHBondContact O-N 3.33Å; L291-S293 VanDerWaalsContact C-N 3.34Å; L291-S293 PolarHBondContact O-N 3.08Å; S293-A297 WeakPolarHBondContact O-CB 3.36Å; S293-A297 PolarHBondContact O-N 3.06Å |
| 294 | L | 92.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.6 | -46.8 | 175 | 178.9 | 62.1 | 0 | 0 | 0 | 112.3 | L7 S256 L259 V260 I263 T290 L291 V292 N296 A297 L298 L312 I314 | L7-L294 HydrophobicContact CD2-CB 4.27Å; L7-L294 HydrophobicContact CD2-CD2 3.58Å; S256-L294 PolarHBondContact OG-N 3.16Å; L259-L294 HydrophobicContact CD2-CB 4.4Å; L259-L294 HydrophobicContact CD2-CD1 4.4Å; L259-L294 HydrophobicContact CD2-CD2 3.92Å; L259-L294 HydrophobicContact CD2-CG 4.47Å; L259-L294 HydrophobicContact CG-CD1 4.41Å; L259-L294 HydrophobicContact CG-CD2 4.42Å; V260-L294 HydrophobicContact CG2-CD1 3.63Å; I263-L294 HydrophobicContact CD1-CD1 4.39Å; I263-L294 HydrophobicContact CD1-CD2 4.29Å; T290-L294 WeakPolarHBondContact O-CB 3.34Å; T290-L294 PolarHBondContact O-N 2.85Å; L291-L294 PolarHBondContact O-N 3.47Å; V292-L294 VanDerWaalsContact C-N 3.31Å; V292-L294 PolarHBondContact O-N 3.45Å; L294-N296 VanDerWaalsContact C-N 3.28Å; L294-N296 PolarHBondContact O-N 2.73Å; L294-A297 WeakPolarHBondContact O-CB 3.06Å; L294-A297 PolarHBondContact O-N 2.93Å; L294-L298 HydrophobicContact CD1-CD1 4.08Å; L294-L298 HydrophobicContact CD1-CG 4.23Å; L294-L298 HydrophobicContact CG-CD1 4.2Å; L294-L298 WeakPolarHBondContact O-CG 3.35Å; L294-L298 PolarHBondContact O-N 2.81Å; L294-L312 HydrophobicContact CD2-CD2 3.83Å; L294-L312 HydrophobicContact CG-CD2 4.32Å; L294-I314 HydrophobicContact CD2-CD1 4.06Å |
| 295 | M | 92.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -35.8 | 179.8 | -70.9 | 174.9 | 74.6 | 0 | 0 | 111.7 | L291 V292 L298 N299 I300 S301 L312 Y330 L341 | L291-M295 WeakPolarHBondContact O-CB 3.15Å; L291-M295 WeakPolarHBondContact O-CG 3.33Å; L291-M295 PolarHBondContact O-N 3.26Å; V292-M295 PolarHBondContact O-N 3.19Å; M295-L298 PolarHBondContact O-N 3.38Å; M295-N299 PolarHBondContact O-N 3.04Å; M295-N299 VanDerWaalsContact O-N 3.1Å; M295-I300 HydrophobicContact CB-CG1 4.09Å; M295-I300 HydrophobicContact CG-CG1 4.33Å; M295-I300 WeakPolarHBondContact O-CG1 3.32Å; M295-I300 PolarHBondContact O-N 3.35Å; M295-S301 PolarHBondContact O-N 2.9Å; M295-L312 HydrophobicContact CG-CD1 4.35Å; M295-L312 HydrophobicContact CG-CD2 4.02Å; M295-Y330 HydrophobicContact CE-CD1 4.09Å; M295-Y330 HydrophobicContact CE-CD2 4.39Å; M295-Y330 HydrophobicContact CE-CE1 4.2Å; M295-Y330 HydrophobicContact CE-CG 4.18Å; M295-Y330 HydrophobicContact SD-CD2 4.4Å; M295-Y330 HydrophobicContact SD-CE2 4.27Å; M295-L341 HydrophobicContact CE-CD1 3.89Å |
| 296 | N | 88.5 | Confident | 90.6 | Very high | 37 Ų | 37 | 28.4 Ų | 28.4 | 20% | 0.198 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.2 | -43.5 | 172.5 | -75 | -27.8 | 0 | 0 | 0 | 111.9 | Y247 V292 L294 L298 N299 S301 | Y247-N296 HydrophobicContact CD2-CB 3.84Å; Y247-N296 WeakPolarHBondContact CD2-ND2 3.27Å; Y247-N296 HydrophobicContact CE2-CB 4.39Å; Y247-N296 WeakPolarHBondContact CE2-ND2 3.36Å; Y247-N296 HydrophobicContact CG-CB 4.22Å; V292-N296 VanDerWaalsContact CG1-ND2 3.35Å; V292-N296 WeakPolarHBondContact CG1-ND2 3.02Å; V292-N296 WeakPolarHBondContact O-CB 3.45Å; V292-N296 VanDerWaalsContact O-CG 3.31Å; V292-N296 PolarHBondContact O-N 3.05Å; V292-N296 PolarHBondContact O-ND2 2.05Å; L294-N296 VanDerWaalsContact C-N 3.28Å; L294-N296 PolarHBondContact O-N 2.73Å; N296-L298 PolarHBondContact O-N 2.9Å; N296-N299 WeakPolarHBondContact O-CA 3.28Å; N296-N299 PolarHBondContact O-N 2.82Å; N296-S301 WeakPolarHBondContact OD1-CB 3.33Å; N296-S301 PolarHBondContact OD1-OG 3.34Å; N296-S301 VanDerWaalsContact OD1-OG 3.04Å |
| 297 | A | 90.3 | Very high | 90.4 | Very high | 11 Ų | 11 | 31 Ų | 31 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.8 | -33.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S252 V260 S293 L294 N299 V362 | S252-A297 PolarHBondContact OG-N 2.88Å; V260-A297 HydrophobicContact CG2-CB 4.11Å; S293-A297 WeakPolarHBondContact O-CB 3.36Å; S293-A297 PolarHBondContact O-N 3.06Å; L294-A297 WeakPolarHBondContact O-CB 3.06Å; L294-A297 PolarHBondContact O-N 2.93Å; A297-N299 VanDerWaalsContact C-N 3.35Å; A297-V362 HydrophobicContact CB-CG2 4.41Å |
| 298 | L | 92.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -3 | 176.1 | -61.1 | 179.8 | 0 | 0 | 0 | 113.5 | V260 L294 M295 N296 I300 I314 I328 I343 F355 V359 | V260-L298 HydrophobicContact CG2-CD2 4.47Å; L294-L298 HydrophobicContact CD1-CD1 4.08Å; L294-L298 HydrophobicContact CD1-CG 4.23Å; L294-L298 HydrophobicContact CG-CD1 4.2Å; L294-L298 WeakPolarHBondContact O-CG 3.35Å; L294-L298 PolarHBondContact O-N 2.81Å; M295-L298 PolarHBondContact O-N 3.38Å; N296-L298 PolarHBondContact O-N 2.9Å; L298-I300 VanDerWaalsContact C-N 3.33Å; L298-I300 HydrophobicContact CB-CD1 3.91Å; L298-I300 HydrophobicContact CB-CG1 3.87Å; L298-I300 HydrophobicContact CD1-CD1 3.98Å; L298-I300 PolarHBondContact O-N 2.89Å; L298-I314 HydrophobicContact CD1-CD1 4.02Å; L298-I328 HydrophobicContact CD1-CD1 4.13Å; L298-I343 HydrophobicContact CB-CD1 4.4Å; L298-I343 HydrophobicContact CB-CG1 4.47Å; L298-I343 HydrophobicContact CD2-CD1 4.23Å; L298-F355 HydrophobicContact CD2-CE2 4.47Å; L298-F355 HydrophobicContact CD2-CZ 4.46Å; L298-V359 HydrophobicContact CD2-CB 4.33Å; L298-V359 HydrophobicContact CD2-CG1 3.46Å; L298-V359 VanDerWaalsContact CD2-CG1 3.46Å |
| 299 | N | 90.8 | Very high | 90.8 | Very high | 118 Ų | 118 | 30 Ų | 30 | 63% | 0.631 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 43.7 | -175.9 | -158.8 | 14.1 | 0 | 0 | 0 | 113.6 | M295 N296 A297 P344 | M295-N299 PolarHBondContact O-N 3.04Å; M295-N299 VanDerWaalsContact O-N 3.1Å; N296-N299 WeakPolarHBondContact O-CA 3.28Å; N296-N299 PolarHBondContact O-N 2.82Å; A297-N299 VanDerWaalsContact C-N 3.35Å; N299-P344 HydrophobicContact CB-CG 3.98Å; N299-P344 VanDerWaalsContact O-CD 3.24Å; N299-P344 WeakPolarHBondContact O-CD 3.3Å; N299-P344 WeakPolarHBondContact O-CG 3.27Å |
| 300 | I | 92.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 8% | 0.077 | 17% | 0.169 | C | C | . | . | trans | -126.1 | 11.6 | -179.2 | 61.8 | 177.1 | 0 | 0 | 0 | 113 | M295 L298 I328 L341 I343 | M295-I300 HydrophobicContact CB-CG1 4.09Å; M295-I300 HydrophobicContact CG-CG1 4.33Å; M295-I300 WeakPolarHBondContact O-CG1 3.32Å; M295-I300 PolarHBondContact O-N 3.35Å; L298-I300 VanDerWaalsContact C-N 3.33Å; L298-I300 HydrophobicContact CB-CD1 3.91Å; L298-I300 HydrophobicContact CB-CG1 3.87Å; L298-I300 HydrophobicContact CD1-CD1 3.98Å; L298-I300 PolarHBondContact O-N 2.89Å; I300-I328 HydrophobicContact CD1-CD1 3.97Å; I300-I328 HydrophobicContact CD1-CG2 3.78Å; I300-L341 HydrophobicContact CB-CB 4.3Å; I300-L341 HydrophobicContact CB-CD1 4.26Å; I300-L341 HydrophobicContact CD1-CB 4.37Å; I300-L341 HydrophobicContact CD1-CD1 3.92Å; I300-L341 HydrophobicContact CG1-CD1 4.24Å; I300-I343 HydrophobicContact CG2-CB 4.49Å; I300-I343 HydrophobicContact CG2-CG1 3.85Å | ||
| 301 | S | 88.8 | Confident | 91.5 | Very high | 35 Ų | 35 | 28.2 Ų | 28.2 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | trans | -72.2 | 142.8 | 178.9 | -176 | 0 | 0 | 0 | 0 | 111.6 | M295 N296 G303 | M295-S301 PolarHBondContact O-N 2.9Å; N296-S301 WeakPolarHBondContact OD1-CB 3.33Å; N296-S301 PolarHBondContact OD1-OG 3.34Å; N296-S301 VanDerWaalsContact OD1-OG 3.04Å; S301-G303 VanDerWaalsContact C-N 3.34Å; S301-G303 PolarHBondContact OG-N 3.25Å | ||
| 302 | D | 86.8 | Confident | 91.7 | Very high | 87 Ų | 87 | 28.2 Ų | 28.2 | 47% | 0.465 | 17% | 0.168 | S | C | . | . | trans | -93.2 | 4.1 | 173.1 | 68.9 | -13.9 | 0 | 0 | 0 | 112.5 | N304 | D302-N304 VanDerWaalsContact CG-ND2 3.26Å; D302-N304 PolarHBondContact O-N 2.8Å; D302-N304 WeakPolarHBondContact OD1-CB 3.44Å; D302-N304 PolarHBondContact OD1-N 3.31Å; D302-N304 PolarHBondContact OD2-ND2 2.84Å | ||
| 303 | G | 81.8 | Confident | 92.1 | Very high | 32 Ų | 32 | 28 Ų | 28 | 33% | 0.33 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 78.9 | -6.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T242 S301 | T242-G303 PolarHBondContact OG1-O 2.95Å; T242-G303 VanDerWaalsContact OG1-O 3.1Å; S301-G303 VanDerWaalsContact C-N 3.34Å; S301-G303 PolarHBondContact OG-N 3.25Å |
| 304 | N | 85.5 | Confident | 92.6 | Very high | 99 Ų | 99 | 28.2 Ų | 28.2 | 53% | 0.529 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -89.2 | 154.4 | -176.7 | -62.2 | -54.5 | 0 | 0 | 0 | 111.9 | D302 P306 | D302-N304 VanDerWaalsContact CG-ND2 3.26Å; D302-N304 PolarHBondContact O-N 2.8Å; D302-N304 WeakPolarHBondContact OD1-CB 3.44Å; D302-N304 PolarHBondContact OD1-N 3.31Å; D302-N304 PolarHBondContact OD2-ND2 2.84Å; N304-P306 WeakPolarHBondContact O-CD 3.17Å |
| 305 | V | 86.2 | Confident | 92.8 | Very high | 53 Ų | 53 | 28.2 Ų | 28.2 | 32% | 0.321 | 17% | 0.168 | S | C | . | . | P | Polyproline II helix | trans | -75.2 | 123.7 | 169.5 | -179.2 | 0 | 0 | 0 | 0 | 109 | P240 D288 | P240-V305 HydrophobicContact CB-CG2 3.24Å; P240-V305 HydrophobicContact CG-CG2 3.81Å; D288-V305 HydrophobicContact CB-CG1 3.87Å |
| 306 | P | 92.5 | Very high | 93 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 126.3 | 176.4 | -27.3 | 35.7 | 0 | 0 | 0 | 111.1 | R9 L291 V292 N304 A310 Y330 | R9-P306 VanDerWaalsContact CD-O 3.28Å; R9-P306 WeakPolarHBondContact CD-O 3.45Å; R9-P306 PolarHBondContact NH1-O 3.14Å; L291-P306 HydrophobicContact CB-CB 4.32Å; L291-P306 HydrophobicContact CB-CG 3.75Å; L291-P306 HydrophobicContact CD1-CB 3.87Å; L291-P306 HydrophobicContact CD1-CG 4.22Å; V292-P306 HydrophobicContact CG2-CG 3.94Å; N304-P306 WeakPolarHBondContact O-CD 3.17Å; P306-A310 HydrophobicContact CB-CB 3.82Å; P306-Y330 WeakPolarHBondContact CA-OH 3.37Å; P306-Y330 WeakPolarHBondContact CB-OH 3.27Å |
| 307 | P | 94.7 | Very high | 93.4 | Very high | 54 Ų | 54 | 27.6 Ų | 27.6 | 35% | 0.351 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -63.8 | 167.2 | 177.2 | 27 | -34.5 | 0 | 0 | 0 | 111.8 | R9 A309 A310 T332 | R9-P307 VanDerWaalsContact CD-O 3.25Å; R9-P307 WeakPolarHBondContact CD-O 3.34Å; R9-P307 VanDerWaalsContact NH1-C 3.34Å; P307-A309 PolarHBondContact O-N 3.27Å; P307-A310 HydrophobicContact CG-CB 4Å; P307-A310 WeakPolarHBondContact O-CB 3.19Å; P307-A310 PolarHBondContact O-N 3Å; P307-T332 HydrophobicContact CG-CG2 4.5Å; P307-T332 WeakPolarHBondContact CG-O 3.48Å |
| 308 | F | 96.8 | Very high | 93.6 | Very high | 23 Ų | 23 | 30.3 Ų | 30.3 | 10% | 0.101 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 139.8 | 175.4 | -67.4 | -63.2 | 0 | 0 | 0 | 110.5 | R9 H10 G11 E12 R13 L203 A310 | R9-F308 VanDerWaalsContact CZ-CE1 3.46Å; H10-F308 AromaticContact CE1-CE1 3.84Å; G11-F308 WeakPolarHBondContact O-CD1 3.02Å; E12-F308 VanDerWaalsContact CA-CG 3.49Å; E12-F308 HydrophobicContact CB-CB 4.24Å; E12-F308 HydrophobicContact CB-CD1 4.4Å; E12-F308 HydrophobicContact CB-CD2 3.61Å; E12-F308 HydrophobicContact CB-CE2 4Å; E12-F308 HydrophobicContact CB-CG 3.84Å; E12-F308 HydrophobicContact CG-CD2 3.67Å; E12-F308 HydrophobicContact CG-CE2 3.57Å; E12-F308 HydrophobicContact CG-CG 4.35Å; E12-F308 HydrophobicContact CG-CZ 4.17Å; R13-F308 HydrophobicContact CG-CE1 4.1Å; R13-F308 HydrophobicContact CG-CZ 4.42Å; L203-F308 HydrophobicContact CD2-CE2 3.81Å; L203-F308 HydrophobicContact CD2-CZ 3.85Å; F308-A310 PolarHBondContact O-N 3.05Å |
| 309 | A | 98.2 | Very high | 93.4 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 15.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R9 H10 Q68 L72 P307 | R9-A309 WeakPolarHBondContact O-CA 3.41Å; R9-A309 PolarHBondContact O-N 3.36Å; H10-A309 PolarHBondContact O-N 3.06Å; Q68-A309 HydrophobicContact CB-CB 3.9Å; L72-A309 HydrophobicContact CD2-CB 4.36Å; L72-A309 WeakPolarHBondContact CD2-O 3.36Å; P307-A309 PolarHBondContact O-N 3.27Å |
| 310 | A | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -60.9 | 142.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y8 R9 L291 P306 P307 F308 Y330 L331 | Y8-A310 CarbonylContact C-O 3.51Å; Y8-A310 WeakPolarHBondContact CA-O 3.38Å; Y8-A310 VanDerWaalsContact CB-O 3.28Å; Y8-A310 WeakPolarHBondContact CB-O 3.33Å; R9-A310 PolarHBondContact N-O 3.16Å; L291-A310 HydrophobicContact CD1-CB 4.49Å; P306-A310 HydrophobicContact CB-CB 3.82Å; P307-A310 HydrophobicContact CG-CB 4Å; P307-A310 WeakPolarHBondContact O-CB 3.19Å; P307-A310 PolarHBondContact O-N 3Å; F308-A310 PolarHBondContact O-N 3.05Å; A310-Y330 HydrophobicContact CB-CE2 4.04Å; A310-L331 CarbonylContact C-O 3.58Å; A310-L331 VanDerWaalsContact CA-O 3.31Å; A310-L331 WeakPolarHBondContact CA-O 3.41Å | ||
| 311 | C | 98.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 131.3 | -175.5 | -168.9 | 0 | 0 | 0 | 0 | 111.8 | L7 L72 F313 Y330 L331 | L7-C311 CarbonylContact O-C 3.58Å; L7-C311 WeakPolarHBondContact O-CA 3.37Å; L72-C311 HydrophobicContact CD1-CB 4.08Å; L72-C311 HydrophobicContact CD2-CB 4.12Å; C311-F313 HydrophobicContact CB-CE1 4.19Å; C311-F313 HydrophobicContact CB-CZ 4.04Å; C311-F313 WeakPolarHBondContact SG-CE1 3.25Å; C311-Y330 WeakPolarHBondContact O-CD2 3.46Å; C311-L331 PolarHBondContact N-O 3.33Å; C311-L331 PolarHBondContact O-N 3.03Å |
| 312 | L | 98.5 | Very high | 93 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.4 | 170.5 | -172.1 | 74 | 0 | 0 | 0 | 108.9 | L7 L291 L294 M295 I314 I328 Y330 L341 | L7-L312 PolarHBondContact N-O 2.79Å; L7-L312 PolarHBondContact O-N 3.22Å; L291-L312 HydrophobicContact CD2-CB 3.53Å; L294-L312 HydrophobicContact CD2-CD2 3.83Å; L294-L312 HydrophobicContact CG-CD2 4.32Å; M295-L312 HydrophobicContact CG-CD1 4.35Å; M295-L312 HydrophobicContact CG-CD2 4.02Å; L312-I314 HydrophobicContact CD2-CD1 4.06Å; L312-I314 HydrophobicContact CD2-CG1 4.23Å; L312-I314 HydrophobicContact CG-CG1 4.31Å; L312-I328 HydrophobicContact CD1-CG2 3.67Å; L312-I328 HydrophobicContact CG-CG2 4.28Å; L312-Y330 HydrophobicContact CB-CD2 4.5Å; L312-Y330 HydrophobicContact CD1-CD2 4.22Å; L312-Y330 HydrophobicContact CD1-CG 4.48Å; L312-L341 HydrophobicContact CD1-CD1 4.08Å |
| 313 | F | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.4 | 172.9 | -46.8 | -67.3 | 0 | 0 | 0 | 108.9 | Q6 Y75 L76 Y80 C311 E315 I328 V329 L331 | Q6-F313 HydrophobicContact CG-CD1 4.15Å; Y75-F313 HydrophobicContact CE1-CE2 4.35Å; Y75-F313 HydrophobicContact CE1-CZ 4.13Å; L76-F313 HydrophobicContact CD1-CE1 3.99Å; L76-F313 HydrophobicContact CD1-CZ 4.12Å; L76-F313 HydrophobicContact CG-CE1 4.22Å; Y80-F313 HydrophobicContact CE2-CE1 4.45Å; Y80-F313 WeakPolarHBondContact OH-CD1 3.35Å; Y80-F313 WeakPolarHBondContact OH-CG 3Å; C311-F313 HydrophobicContact CB-CE1 4.19Å; C311-F313 HydrophobicContact CB-CZ 4.04Å; C311-F313 WeakPolarHBondContact SG-CE1 3.25Å; F313-E315 HydrophobicContact CB-CG 4.23Å; F313-I328 CarbonylContact O-C 3.56Å; F313-I328 WeakPolarHBondContact O-CA 3.33Å; F313-V329 HydrophobicContact CB-CB 4.26Å; F313-V329 HydrophobicContact CD2-CB 3.97Å; F313-V329 HydrophobicContact CD2-CG1 4Å; F313-V329 WeakPolarHBondContact CD2-O 3.22Å; F313-V329 PolarHBondContact N-O 3.44Å; F313-V329 PolarHBondContact O-N 2.95Å; F313-L331 HydrophobicContact CE2-CB 3.81Å; F313-L331 HydrophobicContact CE2-CD2 4.46Å; F313-L331 HydrophobicContact CZ-CB 4.31Å; F313-L331 HydrophobicContact CZ-CD2 4.31Å |
| 314 | I | 98.4 | Very high | 94 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 110.7 | 169.7 | -57.7 | 172.3 | 0 | 0 | 0 | 106.5 | F5 I263 M267 L294 L298 L312 V326 I328 | F5-I314 HydrophobicContact CB-CB 4.27Å; F5-I314 WeakPolarHBondContact CD2-O 3.43Å; F5-I314 PolarHBondContact N-O 2.97Å; F5-I314 PolarHBondContact O-N 2.5Å; I263-I314 HydrophobicContact CD1-CD1 3.95Å; I263-I314 HydrophobicContact CG2-CG2 4.26Å; M267-I314 HydrophobicContact CE-CG2 3.56Å; L294-I314 HydrophobicContact CD2-CD1 4.06Å; L298-I314 HydrophobicContact CD1-CD1 4.02Å; L312-I314 HydrophobicContact CD2-CD1 4.06Å; L312-I314 HydrophobicContact CD2-CG1 4.23Å; L312-I314 HydrophobicContact CG-CG1 4.31Å; I314-V326 HydrophobicContact CG2-CG1 3.84Å; I314-I328 HydrophobicContact CG1-CG1 4.31Å; I314-I328 HydrophobicContact CG1-CG2 4.24Å; I314-I328 HydrophobicContact CG2-CG1 4.39Å |
| 315 | E | 97.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.5 | -167.6 | -55 | 177.7 | 169.1 | 0 | 0 | 110.3 | M1 R79 Y80 F313 H317 V326 R327 | M1-E315 HydrophobicContact CE-CG 4.39Å; R79-E315 IonicContact CZ-OE1 2.79Å; R79-E315 IonicContact NE-OE1 3.19Å; R79-E315 PolarHBondContact NE-OE1 3.27Å; R79-E315 IonicContact NH2-OE1 2.71Å; R79-E315 PolarHBondContact NH2-OE1 3.15Å; R79-E315 IonicContact NH2-OE2 3.64Å; Y80-E315 PolarHBondContact OH-OE1 3.08Å; Y80-E315 VanDerWaalsContact OH-OE1 3.13Å; F313-E315 HydrophobicContact CB-CG 4.23Å; E315-H317 VanDerWaalsContact CB-NE2 3.32Å; E315-H317 WeakPolarHBondContact CB-NE2 3.37Å; E315-H317 IonicContact OE2-CD2 3.36Å; E315-H317 IonicContact OE2-CE1 2.69Å; E315-H317 IonicContact OE2-NE2 3.54Å; E315-H317 PolarHBondContact OE2-NE2 3.48Å; E315-V326 CarbonylContact O-C 3.59Å; E315-V326 VanDerWaalsContact O-CA 3.31Å; E315-V326 WeakPolarHBondContact O-CA 3.45Å; E315-R327 PolarHBondContact N-O 3.43Å; E315-R327 PolarHBondContact O-N 2.81Å |
| 316 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.3 | 167.4 | -172.4 | 67.9 | 0 | 0 | 0 | 109.3 | G2 I3 M267 V271 Y324 V326 L352 | G2-L316 PolarHBondContact N-O 3.04Å; I3-L316 HydrophobicContact CG2-CB 3.75Å; I3-L316 HydrophobicContact CG2-CD2 3.99Å; I3-L316 PolarHBondContact N-O 3.5Å; I3-L316 PolarHBondContact O-N 3.5Å; M267-L316 HydrophobicContact CB-CD2 4.09Å; M267-L316 HydrophobicContact CE-CB 4.47Å; M267-L316 HydrophobicContact CG-CB 4.31Å; M267-L316 HydrophobicContact CG-CD1 4.41Å; M267-L316 HydrophobicContact CG-CD2 4.19Å; M267-L316 HydrophobicContact SD-CD1 4.23Å; V271-L316 HydrophobicContact CG2-CD2 4.02Å; L316-Y324 HydrophobicContact CD1-CD1 4.49Å; L316-Y324 HydrophobicContact CD2-CD1 4.22Å; L316-Y324 HydrophobicContact CG-CD1 4.24Å; L316-V326 HydrophobicContact CD1-CG2 4.08Å; L316-L352 HydrophobicContact CD1-CB 4.39Å; L316-L352 HydrophobicContact CD1-CD1 4.02Å; L316-L352 HydrophobicContact CD1-CD2 4.13Å; L316-L352 HydrophobicContact CD1-CG 4.39Å |
| 317 | H | 96.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 13% | 0.125 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 146.4 | 178.8 | -70.3 | -96.7 | 0 | 0 | 0 | 111.1 | M1 E315 Y324 A325 W349 | M1-H317 WeakPolarHBondContact CE-CE1 3.39Å; E315-H317 VanDerWaalsContact CB-NE2 3.32Å; E315-H317 WeakPolarHBondContact CB-NE2 3.37Å; E315-H317 IonicContact OE2-CD2 3.36Å; E315-H317 IonicContact OE2-CE1 2.69Å; E315-H317 IonicContact OE2-NE2 3.54Å; E315-H317 PolarHBondContact OE2-NE2 3.48Å; H317-Y324 CarbonylContact O-C 3.53Å; H317-Y324 VanDerWaalsContact O-CA 3.3Å; H317-Y324 WeakPolarHBondContact O-CA 3.43Å; H317-A325 PolarHBondContact N-O 3.47Å; H317-A325 PolarHBondContact O-N 3.01Å; H317-W349 HydrophobicContact CB-CZ3 3.91Å; H317-W349 AromaticContact CD2-CZ3 3.7Å; H317-W349 AromaticContact CG-CZ3 3.69Å |
| 318 | T | 93.5 | Very high | 95.6 | Very high | 69 Ų | 69 | 32.2 Ų | 32.2 | 42% | 0.423 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.3 | 166.5 | -46 | 0 | 0 | 0 | 0 | 108 | S323 Y324 | T318-S323 CarbonylContact C-O 3.56Å; T318-S323 WeakPolarHBondContact CA-O 3.45Å; T318-Y324 HydrophobicContact CG2-CE1 4.43Å |
| 319 | T | 89.6 | Confident | 95.6 | Very high | 46 Ų | 46 | 31.2 Ų | 31.2 | 28% | 0.282 | 19% | 0.189 | S | C | . | . | trans | -79.5 | 168.5 | 175.7 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | I321 G322 S323 A325 | T319-I321 PolarHBondContact O-N 3.3Å; T319-I321 WeakPolarHBondContact OG1-CG1 3.05Å; T319-I321 PolarHBondContact OG1-N 3.4Å; T319-G322 PolarHBondContact O-N 2.99Å; T319-S323 WeakPolarHBondContact CG2-OG 3.27Å; T319-S323 PolarHBondContact N-O 3.49Å; T319-S323 PolarHBondContact OG1-N 3.06Å; T319-S323 VanDerWaalsContact OG1-N 3.13Å; T319-S323 PolarHBondContact OG1-O 3.44Å; T319-S323 PolarHBondContact OG1-OG 2.87Å; T319-A325 HydrophobicContact CG2-CB 4.14Å | ||
| 320 | S | 87.8 | Confident | 95.6 | Very high | 131 Ų | 131 | 31.1 Ų | 31.1 | 92% | 0.916 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.3 | 176.9 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | G322 | S320-G322 VanDerWaalsContact C-N 3.32Š|
| 321 | I | 88.3 | Confident | 95.7 | Very high | 145 Ų | 145 | 31.1 Ų | 31.1 | 74% | 0.744 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 8.3 | 178.1 | 61.4 | 170.3 | 0 | 0 | 0 | 112.7 | T319 S323 | T319-I321 PolarHBondContact O-N 3.3Å; T319-I321 WeakPolarHBondContact OG1-CG1 3.05Å; T319-I321 PolarHBondContact OG1-N 3.4Å; I321-S323 VanDerWaalsContact C-N 3.29Å; I321-S323 PolarHBondContact O-N 3.34Å |
| 322 | G | 88.1 | Confident | 95.6 | Very high | 48 Ų | 48 | 33 Ų | 33 | 50% | 0.495 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 79.1 | 4.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | T319 S320 | T319-G322 PolarHBondContact O-N 2.99Å; S320-G322 VanDerWaalsContact C-N 3.32Å |
| 323 | S | 93.4 | Very high | 95.5 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | trans | -81.1 | 168.3 | 172.6 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | T318 T319 I321 | T318-S323 CarbonylContact C-O 3.56Å; T318-S323 WeakPolarHBondContact CA-O 3.45Å; T319-S323 WeakPolarHBondContact CG2-OG 3.27Å; T319-S323 PolarHBondContact N-O 3.49Å; T319-S323 PolarHBondContact OG1-N 3.06Å; T319-S323 VanDerWaalsContact OG1-N 3.13Å; T319-S323 PolarHBondContact OG1-O 3.44Å; T319-S323 PolarHBondContact OG1-OG 2.87Å; I321-S323 VanDerWaalsContact C-N 3.29Å; I321-S323 PolarHBondContact O-N 3.34Å | ||
| 324 | Y | 96.4 | Very high | 95.4 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.8 | 180 | -64 | -85.2 | 0 | 0 | 0 | 112 | V271 L316 H317 T318 L352 | V271-Y324 HydrophobicContact CB-CE2 4.2Å; V271-Y324 HydrophobicContact CG1-CD2 3.98Å; V271-Y324 HydrophobicContact CG1-CE2 3.54Å; V271-Y324 HydrophobicContact CG2-CD1 3.86Å; V271-Y324 HydrophobicContact CG2-CD2 3.74Å; V271-Y324 HydrophobicContact CG2-CE1 3.86Å; V271-Y324 HydrophobicContact CG2-CE2 3.77Å; V271-Y324 HydrophobicContact CG2-CG 3.79Å; L316-Y324 HydrophobicContact CD1-CD1 4.49Å; L316-Y324 HydrophobicContact CD2-CD1 4.22Å; L316-Y324 HydrophobicContact CG-CD1 4.24Å; H317-Y324 CarbonylContact O-C 3.53Å; H317-Y324 VanDerWaalsContact O-CA 3.3Å; H317-Y324 WeakPolarHBondContact O-CA 3.43Å; T318-Y324 HydrophobicContact CG2-CE1 4.43Å; Y324-L352 PolarHBondContact O-N 3.42Å |
| 325 | A | 96.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 5% | 0.05 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H317 T319 W349 C350 | H317-A325 PolarHBondContact N-O 3.47Å; H317-A325 PolarHBondContact O-N 3.01Å; T319-A325 HydrophobicContact CG2-CB 4.14Å; A325-W349 HydrophobicContact CB-CE3 4.29Å; A325-C350 CarbonylContact C-O 3.6Å; A325-C350 WeakPolarHBondContact CA-O 3.41Å |
| 326 | V | 98 | Very high | 95.1 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.6 | 174.4 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | M267 I314 E315 L316 I328 C350 L352 F355 | M267-V326 HydrophobicContact CE-CG1 4.01Å; M267-V326 HydrophobicContact CE-CG2 3.98Å; M267-V326 HydrophobicContact SD-CG2 3.75Å; I314-V326 HydrophobicContact CG2-CG1 3.84Å; E315-V326 CarbonylContact O-C 3.59Å; E315-V326 VanDerWaalsContact O-CA 3.31Å; E315-V326 WeakPolarHBondContact O-CA 3.45Å; L316-V326 HydrophobicContact CD1-CG2 4.08Å; V326-I328 HydrophobicContact CG1-CG1 4.3Å; V326-C350 PolarHBondContact N-O 2.97Å; V326-C350 PolarHBondContact O-N 3.36Å; V326-L352 HydrophobicContact CG2-CD1 3.91Å; V326-F355 HydrophobicContact CB-CB 4.4Å; V326-F355 HydrophobicContact CB-CD2 4.08Å; V326-F355 HydrophobicContact CB-CG 4.16Å; V326-F355 HydrophobicContact CG1-CD2 3.92Å; V326-F355 HydrophobicContact CG1-CE2 3.93Å; V326-F355 HydrophobicContact CG1-CG 4.35Å; V326-F355 HydrophobicContact CG1-CZ 4.37Å; V326-F355 HydrophobicContact CG2-CB 4.02Å; V326-F355 HydrophobicContact CG2-CD1 3.99Å; V326-F355 HydrophobicContact CG2-CD2 4.22Å; V326-F355 HydrophobicContact CG2-CG 3.82Å |
| 327 | R | 97.6 | Very high | 95 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.2 | 172.9 | -171.1 | 179.8 | -175.5 | -161.2 | 2.3 | 109.2 | E315 V329 W349 | E315-R327 PolarHBondContact N-O 3.43Å; E315-R327 PolarHBondContact O-N 2.81Å; R327-V329 HydrophobicContact CG-CG2 4.16Å; R327-W349 HydrophobicContact CB-CE3 4.17Å; R327-W349 HydrophobicContact CB-CZ3 4.11Å |
| 328 | I | 98.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130 | 178.7 | -52.6 | 179.2 | 0 | 0 | 0 | 109.2 | L298 I300 L312 F313 I314 V326 L341 I343 F355 | L298-I328 HydrophobicContact CD1-CD1 4.13Å; I300-I328 HydrophobicContact CD1-CD1 3.97Å; I300-I328 HydrophobicContact CD1-CG2 3.78Å; L312-I328 HydrophobicContact CD1-CG2 3.67Å; L312-I328 HydrophobicContact CG-CG2 4.28Å; F313-I328 CarbonylContact O-C 3.56Å; F313-I328 WeakPolarHBondContact O-CA 3.33Å; I314-I328 HydrophobicContact CG1-CG1 4.31Å; I314-I328 HydrophobicContact CG1-CG2 4.24Å; I314-I328 HydrophobicContact CG2-CG1 4.39Å; V326-I328 HydrophobicContact CG1-CG1 4.3Å; I328-L341 HydrophobicContact CB-CB 4.28Å; I328-L341 HydrophobicContact CG2-CB 4.14Å; I328-L341 HydrophobicContact CG2-CD1 4.35Å; I328-L341 PolarHBondContact O-N 3.36Å; I328-I343 HydrophobicContact CD1-CD1 3.81Å; I328-I343 HydrophobicContact CD1-CG1 3.94Å; I328-F355 HydrophobicContact CD1-CE2 4.34Å |
| 329 | V | 98.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 132.7 | -177.4 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | F313 R327 P338 V339 V340 | F313-V329 HydrophobicContact CB-CB 4.26Å; F313-V329 HydrophobicContact CD2-CB 3.97Å; F313-V329 HydrophobicContact CD2-CG1 4Å; F313-V329 WeakPolarHBondContact CD2-O 3.22Å; F313-V329 PolarHBondContact N-O 3.44Å; F313-V329 PolarHBondContact O-N 2.95Å; R327-V329 HydrophobicContact CG-CG2 4.16Å; V329-P338 HydrophobicContact CG1-CB 3.59Å; V329-P338 HydrophobicContact CG1-CG 4.21Å; V329-V339 CarbonylContact C-O 3.58Å; V329-V339 WeakPolarHBondContact CA-O 3.39Å; V329-V340 HydrophobicContact CG2-CG2 4.41Å |
| 330 | Y | 98.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.4 | -179 | 179.8 | -129.3 | 0 | 0 | 0 | 110.7 | M295 P306 A310 C311 L312 T332 P338 V339 L341 | M295-Y330 HydrophobicContact CE-CD1 4.09Å; M295-Y330 HydrophobicContact CE-CD2 4.39Å; M295-Y330 HydrophobicContact CE-CE1 4.2Å; M295-Y330 HydrophobicContact CE-CG 4.18Å; M295-Y330 HydrophobicContact SD-CD2 4.4Å; M295-Y330 HydrophobicContact SD-CE2 4.27Å; P306-Y330 WeakPolarHBondContact CA-OH 3.37Å; P306-Y330 WeakPolarHBondContact CB-OH 3.27Å; A310-Y330 HydrophobicContact CB-CE2 4.04Å; C311-Y330 WeakPolarHBondContact O-CD2 3.46Å; L312-Y330 HydrophobicContact CB-CD2 4.5Å; L312-Y330 HydrophobicContact CD1-CD2 4.22Å; L312-Y330 HydrophobicContact CD1-CG 4.48Å; Y330-T332 HydrophobicContact CD1-CG2 4.04Å; Y330-T332 HydrophobicContact CE1-CG2 3.42Å; Y330-T332 VanDerWaalsContact CE1-CG2 3.42Å; Y330-P338 CarbonylContact O-C 3.56Å; Y330-P338 WeakPolarHBondContact O-CA 3.15Å; Y330-V339 PolarHBondContact N-O 3.43Å; Y330-V339 PolarHBondContact O-N 2.84Å; Y330-L341 HydrophobicContact CG-CD1 4.43Å |
| 331 | L | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 118.3 | 177.5 | -177.9 | 75.5 | 0 | 0 | 0 | 109.1 | L72 Y75 A310 C311 F313 D333 V334 K336 P338 | L72-L331 HydrophobicContact CD1-CD2 3.77Å; Y75-L331 HydrophobicContact CD1-CD2 3.71Å; Y75-L331 HydrophobicContact CE1-CD1 4.47Å; Y75-L331 HydrophobicContact CE1-CD2 3.56Å; Y75-L331 HydrophobicContact CE2-CD1 4.5Å; Y75-L331 HydrophobicContact CE2-CD2 4.49Å; Y75-L331 HydrophobicContact CG-CD2 4.26Å; A310-L331 CarbonylContact C-O 3.58Å; A310-L331 VanDerWaalsContact CA-O 3.31Å; A310-L331 WeakPolarHBondContact CA-O 3.41Å; C311-L331 PolarHBondContact N-O 3.33Å; C311-L331 PolarHBondContact O-N 3.03Å; F313-L331 HydrophobicContact CE2-CB 3.81Å; F313-L331 HydrophobicContact CE2-CD2 4.46Å; F313-L331 HydrophobicContact CZ-CB 4.31Å; F313-L331 HydrophobicContact CZ-CD2 4.31Å; L331-D333 VanDerWaalsContact CD1-O 3.29Å; L331-D333 WeakPolarHBondContact CD1-O 3.41Å; L331-V334 HydrophobicContact CD2-CG1 4.32Å; L331-K336 WeakPolarHBondContact CD1-O 3.38Å; L331-P338 HydrophobicContact CB-CB 4.36Å; L331-P338 HydrophobicContact CD1-CB 3.93Å |
| 332 | T | 97.4 | Very high | 96.6 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 24% | 0.239 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -88.2 | -29.8 | 177 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | P307 Y330 | P307-T332 HydrophobicContact CG-CG2 4.5Å; P307-T332 WeakPolarHBondContact CG-O 3.48Å; Y330-T332 HydrophobicContact CD1-CG2 4.04Å; Y330-T332 HydrophobicContact CE1-CG2 3.42Å; Y330-T332 VanDerWaalsContact CE1-CG2 3.42Å |
| 333 | D | 95.7 | Very high | 96.9 | Very high | 70 Ų | 70 | 48.1 Ų | 48.1 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | trans | -159.4 | 139.5 | -176.4 | -172.4 | -78.1 | 0 | 0 | 0 | 108.8 | L331 S335 K336 | L331-D333 VanDerWaalsContact CD1-O 3.29Å; L331-D333 WeakPolarHBondContact CD1-O 3.41Å; D333-S335 PolarHBondContact O-N 2.91Å; D333-S335 WeakPolarHBondContact OD1-CA 3.48Å; D333-S335 VanDerWaalsContact OD1-CB 3.25Å; D333-S335 WeakPolarHBondContact OD1-CB 3.48Å; D333-S335 PolarHBondContact OD1-N 3Å; D333-S335 PolarHBondContact OD1-OG 3.4Å; D333-K336 HydrophobicContact CB-CB 4.39Å; D333-K336 HydrophobicContact CB-CD 4.11Å; D333-K336 HydrophobicContact CB-CG 4.1Å; D333-K336 PolarHBondContact O-N 3.26Å | ||
| 334 | V | 96 | Very high | 96.9 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 30% | 0.303 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.4 | -177.2 | -63.3 | 0 | 0 | 0 | 0 | 113.8 | E71 L72 Y75 L331 K336 | E71-V334 HydrophobicContact CB-CG2 4.31Å; L72-V334 HydrophobicContact CB-CG1 4.36Å; L72-V334 HydrophobicContact CD1-CG1 4.22Å; Y75-V334 HydrophobicContact CG-CG1 4.38Å; L331-V334 HydrophobicContact CD2-CG1 4.32Å; V334-K336 VanDerWaalsContact C-N 3.34Å |
| 335 | S | 95.2 | Very high | 96.8 | Very high | 102 Ų | 102 | 54.3 Ų | 54.3 | 71% | 0.713 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -5.5 | 174.4 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | D333 | D333-S335 PolarHBondContact O-N 2.91Å; D333-S335 WeakPolarHBondContact OD1-CA 3.48Å; D333-S335 VanDerWaalsContact OD1-CB 3.25Å; D333-S335 WeakPolarHBondContact OD1-CB 3.48Å; D333-S335 PolarHBondContact OD1-N 3Å; D333-S335 PolarHBondContact OD1-OG 3.4Å |
| 336 | K | 95.7 | Very high | 96.8 | Very high | 125 Ų | 125 | 55 Ų | 55 | 54% | 0.543 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -110.5 | 149.8 | -179.6 | -64.4 | -176.7 | -178.2 | -179.5 | 0 | 111 | L331 D333 V334 | L331-K336 WeakPolarHBondContact CD1-O 3.38Å; D333-K336 HydrophobicContact CB-CB 4.39Å; D333-K336 HydrophobicContact CB-CD 4.11Å; D333-K336 HydrophobicContact CB-CG 4.1Å; D333-K336 PolarHBondContact O-N 3.26Å; V334-K336 VanDerWaalsContact C-N 3.34Å |
| 337 | E | 96.5 | Very high | 96.7 | Very high | 171 Ų | 171 | 58.1 Ų | 58.1 | 80% | 0.799 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 133.7 | 170.8 | -70.3 | -61.4 | 154.2 | 0 | 0 | 110.6 | ||
| 338 | P | 97.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 57 Ų | 57 | 20% | 0.195 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 146.6 | 176.7 | 31 | -36.7 | 0 | 0 | 0 | 111.6 | Y75 V329 Y330 L331 | Y75-P338 WeakPolarHBondContact OH-CG 3.24Å; V329-P338 HydrophobicContact CG1-CB 3.59Å; V329-P338 HydrophobicContact CG1-CG 4.21Å; Y330-P338 CarbonylContact O-C 3.56Å; Y330-P338 WeakPolarHBondContact O-CA 3.15Å; L331-P338 HydrophobicContact CB-CB 4.36Å; L331-P338 HydrophobicContact CD1-CB 3.93Å |
| 339 | V | 97.8 | Very high | 96.5 | Very high | 81 Ų | 81 | 62.2 Ų | 62.2 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.6 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | V329 Y330 L341 | V329-V339 CarbonylContact C-O 3.58Å; V329-V339 WeakPolarHBondContact CA-O 3.39Å; Y330-V339 PolarHBondContact N-O 3.43Å; Y330-V339 PolarHBondContact O-N 2.84Å; V339-L341 HydrophobicContact CG1-CD2 4.04Å |
| 340 | V | 98.2 | Very high | 96.5 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 36% | 0.358 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 124.9 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | V329 | V329-V340 HydrophobicContact CG2-CG2 4.41Å |
| 341 | L | 97.7 | Very high | 96.4 | Very high | 32 Ų | 32 | 64.5 Ų | 64.5 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 146 | 179.6 | -58.2 | 179 | 0 | 0 | 0 | 110.3 | M295 I300 L312 I328 Y330 V339 | M295-L341 HydrophobicContact CE-CD1 3.89Å; I300-L341 HydrophobicContact CB-CB 4.3Å; I300-L341 HydrophobicContact CB-CD1 4.26Å; I300-L341 HydrophobicContact CD1-CB 4.37Å; I300-L341 HydrophobicContact CD1-CD1 3.92Å; I300-L341 HydrophobicContact CG1-CD1 4.24Å; L312-L341 HydrophobicContact CD1-CD1 4.08Å; I328-L341 HydrophobicContact CB-CB 4.28Å; I328-L341 HydrophobicContact CG2-CB 4.14Å; I328-L341 HydrophobicContact CG2-CD1 4.35Å; I328-L341 PolarHBondContact O-N 3.36Å; Y330-L341 HydrophobicContact CG-CD1 4.43Å; V339-L341 HydrophobicContact CG1-CD2 4.04Å |
| 342 | S | 96.7 | Very high | 96.4 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | trans | -125 | 128.2 | 177.1 | -56 | 0 | 0 | 0 | 0 | 109.2 | S348 | S342-S348 VanDerWaalsContact OG-CA 3.26Å; S342-S348 WeakPolarHBondContact OG-CA 3.48Å; S342-S348 WeakPolarHBondContact OG-CB 3.33Å; S342-S348 PolarHBondContact OG-N 2.95Å | ||
| 343 | I | 94.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 67.9 Ų | 67.9 | 6% | 0.062 | 37% | 0.371 | C | S | . | . | trans | -66.5 | 136.6 | 172.7 | -67.7 | 175.4 | 0 | 0 | 0 | 108.4 | L298 I300 I328 Q345 C346 F355 L358 V359 | L298-I343 HydrophobicContact CB-CD1 4.4Å; L298-I343 HydrophobicContact CB-CG1 4.47Å; L298-I343 HydrophobicContact CD2-CD1 4.23Å; I300-I343 HydrophobicContact CG2-CB 4.49Å; I300-I343 HydrophobicContact CG2-CG1 3.85Å; I328-I343 HydrophobicContact CD1-CD1 3.81Å; I328-I343 HydrophobicContact CD1-CG1 3.94Å; I343-Q345 PolarHBondContact O-N 3.04Å; I343-C346 HydrophobicContact CB-CB 4.48Å; I343-C346 WeakPolarHBondContact O-CA 3.23Å; I343-C346 WeakPolarHBondContact O-CB 3.32Å; I343-C346 PolarHBondContact O-N 2.92Å; I343-F355 HydrophobicContact CD1-CD2 3.5Å; I343-F355 HydrophobicContact CD1-CE2 3.36Å; I343-L358 HydrophobicContact CG2-CB 4.27Å; I343-L358 HydrophobicContact CG2-CD1 3.97Å; I343-V359 HydrophobicContact CD1-CG1 4.25Å | ||
| 344 | P | 93.8 | Very high | 96.4 | Very high | 51 Ų | 51 | 69 Ų | 69 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 142 | 175.9 | -31 | 38.1 | 0 | 0 | 0 | 112.1 | N299 C346 | N299-P344 HydrophobicContact CB-CG 3.98Å; N299-P344 VanDerWaalsContact O-CD 3.24Å; N299-P344 WeakPolarHBondContact O-CD 3.3Å; N299-P344 WeakPolarHBondContact O-CG 3.27Å; P344-C346 PolarHBondContact O-N 3.38Å |
| 345 | Q | 94.7 | Very high | 96.5 | Very high | 163 Ų | 163 | 66.7 Ų | 66.7 | 76% | 0.762 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 4 | -173.6 | -44.1 | 170.3 | 42 | 0 | 0 | 114.6 | I343 K354 L358 | I343-Q345 PolarHBondContact O-N 3.04Å; Q345-K354 WeakPolarHBondContact O-CE 3.45Å; Q345-K354 PolarHBondContact O-NZ 3.04Å; Q345-L358 HydrophobicContact CB-CD2 4.11Å |
| 346 | C | 96.8 | Very high | 96.5 | Very high | 20 Ų | 20 | 64.1 Ų | 64.1 | 14% | 0.135 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -123.1 | 158.1 | 173.7 | -137.4 | 0 | 0 | 0 | 0 | 112.4 | I343 P344 C350 L358 | I343-C346 HydrophobicContact CB-CB 4.48Å; I343-C346 WeakPolarHBondContact O-CA 3.23Å; I343-C346 WeakPolarHBondContact O-CB 3.32Å; I343-C346 PolarHBondContact O-N 2.92Å; P344-C346 PolarHBondContact O-N 3.38Å; C346-C350 HydrophobicContact CB-CB 3.85Å; C346-C350 WeakPolarHBondContact CB-SG 3.49Å; C346-C350 WeakPolarHBondContact SG-CA 3.23Å; C346-C350 WeakPolarHBondContact SG-CB 3.3Å; C346-C350 CovalentContact SG-SG 2.03Å; C346-C350 PolarHBondContact SG-SG 3.35Å; C346-L358 HydrophobicContact CB-CD1 3.77Å |
| 347 | S | 95.7 | Very high | 96.6 | Very high | 69 Ų | 69 | 66.1 Ų | 66.1 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | trans | -77.8 | 166.8 | 168.2 | 41.7 | 0 | 0 | 0 | 0 | 111.3 | W349 C350 | S347-W349 CarbonylContact O-C 3.59Å; S347-W349 PolarHBondContact O-N 3.48Å; S347-W349 PolarHBondContact OG-O 3.03Å; S347-C350 PolarHBondContact O-N 2.85Å | ||
| 348 | S | 96.2 | Very high | 96.5 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -58.6 | -25.1 | 173.4 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | S342 | S342-S348 VanDerWaalsContact OG-CA 3.26Å; S342-S348 WeakPolarHBondContact OG-CA 3.48Å; S342-S348 WeakPolarHBondContact OG-CB 3.33Å; S342-S348 PolarHBondContact OG-N 2.95Å |
| 349 | W | 96.1 | Very high | 96.4 | Very high | 117 Ų | 117 | 59.1 Ų | 59.1 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -103 | 90.8 | 163.2 | -65.3 | 98.8 | 0 | 0 | 0 | 108.2 | H317 A325 R327 S347 P351 | H317-W349 HydrophobicContact CB-CZ3 3.91Å; H317-W349 AromaticContact CD2-CZ3 3.7Å; H317-W349 AromaticContact CG-CZ3 3.69Å; A325-W349 HydrophobicContact CB-CE3 4.29Å; R327-W349 HydrophobicContact CB-CE3 4.17Å; R327-W349 HydrophobicContact CB-CZ3 4.11Å; S347-W349 CarbonylContact O-C 3.59Å; S347-W349 PolarHBondContact O-N 3.48Å; S347-W349 PolarHBondContact OG-O 3.03Å; W349-P351 WeakPolarHBondContact O-CD 3.27Å |
| 350 | C | 97.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.034 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118 | -173.7 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | A325 V326 C346 S347 L352 | A325-C350 CarbonylContact C-O 3.6Å; A325-C350 WeakPolarHBondContact CA-O 3.41Å; V326-C350 PolarHBondContact N-O 2.97Å; V326-C350 PolarHBondContact O-N 3.36Å; C346-C350 HydrophobicContact CB-CB 3.85Å; C346-C350 WeakPolarHBondContact CB-SG 3.49Å; C346-C350 WeakPolarHBondContact SG-CA 3.23Å; C346-C350 WeakPolarHBondContact SG-CB 3.3Å; C346-C350 CovalentContact SG-SG 2.03Å; C346-C350 PolarHBondContact SG-SG 3.35Å; S347-C350 PolarHBondContact O-N 2.85Å; C350-L352 PolarHBondContact O-N 3.3Å |
| 351 | P | 96.9 | Very high | 95.8 | Very high | 55 Ų | 55 | 63.5 Ų | 63.5 | 36% | 0.357 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 136.5 | 177.2 | -26.3 | 35 | 0 | 0 | 0 | 111.4 | W349 E353 K354 F355 | W349-P351 WeakPolarHBondContact O-CD 3.27Å; P351-E353 VanDerWaalsContact C-N 3.27Å; P351-E353 PolarHBondContact O-N 3.39Å; P351-K354 HydrophobicContact CB-CB 4.17Å; P351-K354 CarbonylContact O-C 3.37Å; P351-K354 WeakPolarHBondContact O-CA 3.45Å; P351-K354 WeakPolarHBondContact O-CB 3.41Å; P351-K354 PolarHBondContact O-N 2.84Å; P351-F355 PolarHBondContact O-N 3.35Å |
| 352 | L | 96.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.3 | -41.2 | -173.2 | 175.6 | 61.9 | 0 | 0 | 0 | 112 | M267 V271 L316 Y324 V326 C350 K354 F355 Q356 | M267-L352 HydrophobicContact CB-CD1 4.09Å; M267-L352 HydrophobicContact SD-CD1 3.76Å; V271-L352 HydrophobicContact CG2-CD2 3.74Å; L316-L352 HydrophobicContact CD1-CB 4.39Å; L316-L352 HydrophobicContact CD1-CD1 4.02Å; L316-L352 HydrophobicContact CD1-CD2 4.13Å; L316-L352 HydrophobicContact CD1-CG 4.39Å; Y324-L352 PolarHBondContact O-N 3.42Å; V326-L352 HydrophobicContact CG2-CD1 3.91Å; C350-L352 PolarHBondContact O-N 3.3Å; L352-K354 VanDerWaalsContact C-N 3.27Å; L352-K354 PolarHBondContact O-N 3.4Å; L352-F355 HydrophobicContact CD1-CD1 4.5Å; L352-F355 WeakPolarHBondContact O-CB 3.41Å; L352-F355 PolarHBondContact O-N 3.32Å; L352-Q356 HydrophobicContact CD1-CG 4.34Å; L352-Q356 VanDerWaalsContact O-CG 3.28Å; L352-Q356 WeakPolarHBondContact O-CG 3.34Å; L352-Q356 PolarHBondContact O-N 2.99Å |
| 353 | E | 96.2 | Very high | 95.4 | Very high | 106 Ų | 106 | 60.2 Ų | 60.2 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.5 | -34.8 | 178.3 | -56.7 | 79.1 | -171.7 | 0 | 0 | 111.6 | P351 K357 | P351-E353 VanDerWaalsContact C-N 3.27Å; P351-E353 PolarHBondContact O-N 3.39Å; E353-K357 WeakPolarHBondContact O-CG 3.38Å; E353-K357 PolarHBondContact O-N 3.22Å |
| 354 | K | 97.2 | Very high | 95.4 | Very high | 92 Ų | 92 | 59.7 Ų | 59.7 | 40% | 0.4 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.9 | -42 | 177.1 | -172.2 | 167.3 | 178.4 | 178.7 | 0 | 111.3 | Q345 P351 L352 Q356 K357 L358 | Q345-K354 WeakPolarHBondContact O-CE 3.45Å; Q345-K354 PolarHBondContact O-NZ 3.04Å; P351-K354 HydrophobicContact CB-CB 4.17Å; P351-K354 CarbonylContact O-C 3.37Å; P351-K354 WeakPolarHBondContact O-CA 3.45Å; P351-K354 WeakPolarHBondContact O-CB 3.41Å; P351-K354 PolarHBondContact O-N 2.84Å; L352-K354 VanDerWaalsContact C-N 3.27Å; L352-K354 PolarHBondContact O-N 3.4Å; K354-Q356 VanDerWaalsContact C-N 3.32Å; K354-Q356 PolarHBondContact O-N 2.81Å; K354-K357 PolarHBondContact O-N 3.24Å; K354-L358 HydrophobicContact CG-CD1 4.01Å; K354-L358 HydrophobicContact CG-CG 4.42Å; K354-L358 VanDerWaalsContact O-CG 3.3Å; K354-L358 WeakPolarHBondContact O-CG 3.38Å; K354-L358 PolarHBondContact O-N 3.23Å |
| 355 | F | 97.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.7 | -50.1 | 172.2 | 176.5 | -97.1 | 0 | 0 | 0 | 110.7 | V264 M267 L298 V326 I328 I343 P351 L352 K357 L358 V359 | V264-F355 HydrophobicContact CG2-CD1 4.32Å; V264-F355 HydrophobicContact CG2-CE1 3.76Å; M267-F355 HydrophobicContact SD-CD1 4.46Å; M267-F355 HydrophobicContact SD-CE1 4.22Å; L298-F355 HydrophobicContact CD2-CE2 4.47Å; L298-F355 HydrophobicContact CD2-CZ 4.46Å; V326-F355 HydrophobicContact CB-CB 4.4Å; V326-F355 HydrophobicContact CB-CD2 4.08Å; V326-F355 HydrophobicContact CB-CG 4.16Å; V326-F355 HydrophobicContact CG1-CD2 3.92Å; V326-F355 HydrophobicContact CG1-CE2 3.93Å; V326-F355 HydrophobicContact CG1-CG 4.35Å; V326-F355 HydrophobicContact CG1-CZ 4.37Å; V326-F355 HydrophobicContact CG2-CB 4.02Å; V326-F355 HydrophobicContact CG2-CD1 3.99Å; V326-F355 HydrophobicContact CG2-CD2 4.22Å; V326-F355 HydrophobicContact CG2-CG 3.82Å; I328-F355 HydrophobicContact CD1-CE2 4.34Å; I343-F355 HydrophobicContact CD1-CD2 3.5Å; I343-F355 HydrophobicContact CD1-CE2 3.36Å; P351-F355 PolarHBondContact O-N 3.35Å; L352-F355 HydrophobicContact CD1-CD1 4.5Å; L352-F355 WeakPolarHBondContact O-CB 3.41Å; L352-F355 PolarHBondContact O-N 3.32Å; F355-K357 VanDerWaalsContact C-N 3.35Å; F355-K357 PolarHBondContact O-N 2.94Å; F355-L358 PolarHBondContact O-N 2.94Å; F355-V359 HydrophobicContact CD1-CG2 4.43Å; F355-V359 HydrophobicContact CD2-CG1 4.41Å; F355-V359 HydrophobicContact CE1-CG2 4.19Å; F355-V359 HydrophobicContact CE2-CG1 4.09Å; F355-V359 HydrophobicContact CZ-CG1 4.14Å; F355-V359 WeakPolarHBondContact O-CG2 3.43Å; F355-V359 PolarHBondContact O-N 3.24Å |
| 356 | Q | 96.7 | Very high | 95.1 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.9 | -45.2 | 177.9 | -72.9 | 177.2 | 27 | 0 | 0 | 112.7 | V264 L352 K354 H360 | V264-Q356 HydrophobicContact CG1-CG 3.84Å; L352-Q356 HydrophobicContact CD1-CG 4.34Å; L352-Q356 VanDerWaalsContact O-CG 3.28Å; L352-Q356 WeakPolarHBondContact O-CG 3.34Å; L352-Q356 PolarHBondContact O-N 2.99Å; K354-Q356 VanDerWaalsContact C-N 3.32Å; K354-Q356 PolarHBondContact O-N 2.81Å; Q356-H360 WeakPolarHBondContact O-CB 3.34Å; Q356-H360 PolarHBondContact O-N 3.3Å; Q356-H360 VanDerWaalsContact O-N 3.08Å |
| 357 | K | 96.8 | Very high | 94.6 | Very high | 167 Ų | 167 | 61.5 Ų | 61.5 | 73% | 0.726 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 177.5 | -72.8 | 175.9 | -176.4 | -176.8 | 0 | 112.2 | E353 K354 F355 | E353-K357 WeakPolarHBondContact O-CG 3.38Å; E353-K357 PolarHBondContact O-N 3.22Å; K354-K357 PolarHBondContact O-N 3.24Å; F355-K357 VanDerWaalsContact C-N 3.35Å; F355-K357 PolarHBondContact O-N 2.94Å |
| 358 | L | 95.3 | Very high | 94.3 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.5 | -34.6 | -177.4 | -70.2 | 169.6 | 0 | 0 | 0 | 112.6 | I343 Q345 C346 K354 F355 | I343-L358 HydrophobicContact CG2-CB 4.27Å; I343-L358 HydrophobicContact CG2-CD1 3.97Å; Q345-L358 HydrophobicContact CB-CD2 4.11Å; C346-L358 HydrophobicContact CB-CD1 3.77Å; K354-L358 HydrophobicContact CG-CD1 4.01Å; K354-L358 HydrophobicContact CG-CG 4.42Å; K354-L358 VanDerWaalsContact O-CG 3.3Å; K354-L358 WeakPolarHBondContact O-CG 3.38Å; K354-L358 PolarHBondContact O-N 3.23Å; F355-L358 PolarHBondContact O-N 2.94Å |
| 359 | V | 94.2 | Very high | 94 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -96 | -1.8 | -178.5 | -50.9 | 0 | 0 | 0 | 0 | 113.7 | V260 V264 L298 I343 F355 N361 V362 A363 | V260-V359 HydrophobicContact CG1-CB 3.82Å; V260-V359 HydrophobicContact CG1-CG2 3.86Å; V264-V359 HydrophobicContact CG2-CG2 3.63Å; L298-V359 HydrophobicContact CD2-CB 4.33Å; L298-V359 HydrophobicContact CD2-CG1 3.46Å; L298-V359 VanDerWaalsContact CD2-CG1 3.46Å; I343-V359 HydrophobicContact CD1-CG1 4.25Å; F355-V359 HydrophobicContact CD1-CG2 4.43Å; F355-V359 HydrophobicContact CD2-CG1 4.41Å; F355-V359 HydrophobicContact CE1-CG2 4.19Å; F355-V359 HydrophobicContact CE2-CG1 4.09Å; F355-V359 HydrophobicContact CZ-CG1 4.14Å; F355-V359 WeakPolarHBondContact O-CG2 3.43Å; F355-V359 PolarHBondContact O-N 3.24Å; V359-N361 VanDerWaalsContact C-N 3.32Å; V359-N361 PolarHBondContact O-N 3.27Å; V359-V362 HydrophobicContact CB-CG2 4.21Å; V359-V362 WeakPolarHBondContact O-CG2 3.42Å; V359-V362 PolarHBondContact O-N 3.48Å; V359-V362 VanDerWaalsContact O-N 3.12Å; V359-A363 PolarHBondContact O-N 3.09Å |
| 360 | H | 93 | Very high | 93.7 | Very high | 104 Ų | 104 | 61 Ų | 61 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -55.7 | -45.6 | -174 | -177.8 | 63.3 | 0 | 0 | 0 | 112.7 | Q356 V362 A363 | Q356-H360 WeakPolarHBondContact O-CB 3.34Å; Q356-H360 PolarHBondContact O-N 3.3Å; Q356-H360 VanDerWaalsContact O-N 3.08Å; H360-V362 PolarHBondContact O-N 3.44Å; H360-A363 PolarHBondContact O-N 2.89Å |
| 361 | N | 90.4 | Very high | 93.4 | Very high | 127 Ų | 127 | 62.8 Ų | 62.8 | 68% | 0.679 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -70.8 | -12.6 | -176 | -67.4 | -8.9 | 0 | 0 | 0 | 113.5 | R253 V359 | R253-N361 WeakPolarHBondContact CD-O 3.27Å; R253-N361 PolarHBondContact NH1-O 2.93Å; V359-N361 VanDerWaalsContact C-N 3.32Å; V359-N361 PolarHBondContact O-N 3.27Å |
| 362 | V | 91.7 | Very high | 93.1 | Very high | 20 Ų | 20 | 65 Ų | 65 | 12% | 0.121 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -109.2 | -6.9 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 113 | G257 V260 A297 V359 H360 | G257-V362 WeakPolarHBondContact CA-O 3.34Å; V260-V362 HydrophobicContact CG1-CG2 4.27Å; A297-V362 HydrophobicContact CB-CG2 4.41Å; V359-V362 HydrophobicContact CB-CG2 4.21Å; V359-V362 WeakPolarHBondContact O-CG2 3.42Å; V359-V362 PolarHBondContact O-N 3.48Å; V359-V362 VanDerWaalsContact O-N 3.12Å; H360-V362 PolarHBondContact O-N 3.44Å |
| 363 | A | 94.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | trans | -87.7 | 139.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R253 V260 V359 H360 Y365 | R253-A363 PolarHBondContact NH1-O 2.98Å; R253-A363 PolarHBondContact NH2-O 3.35Å; V260-A363 HydrophobicContact CB-CB 4.39Å; V260-A363 HydrophobicContact CG1-CB 3.91Å; V359-A363 PolarHBondContact O-N 3.09Å; H360-A363 PolarHBondContact O-N 2.89Å; A363-Y365 HydrophobicContact CB-CE1 4.37Å; A363-Y365 HydrophobicContact CB-CE2 4.06Å | ||
| 364 | Y | 94.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | trans | -106.8 | 121.8 | 162.1 | -64.1 | -49.3 | 0 | 0 | 0 | 109.9 | R253 G257 H258 G261 Q369 R370 E373 | R253-Y364 HydrophobicContact CG-CE1 3.94Å; R253-Y364 HydrophobicContact CG-CE2 4.21Å; R253-Y364 VanDerWaalsContact NH2-CE1 3.34Å; R253-Y364 WeakPolarHBondContact O-CE2 3.49Å; G257-Y364 VanDerWaalsContact C-N 3.3Å; G257-Y364 PolarHBondContact O-N 3.48Å; H258-Y364 AromaticContact CD2-CD2 3.85Å; H258-Y364 AromaticContact NE2-CD2 4Å; G261-Y364 WeakPolarHBondContact CA-O 3.26Å; Y364-Q369 VanDerWaalsContact CA-OE1 3.31Å; Y364-Q369 HydrophobicContact CD1-CB 3.47Å; Y364-Q369 VanDerWaalsContact CD1-CB 3.47Å; Y364-Q369 HydrophobicContact CE1-CB 4Å; Y364-Q369 HydrophobicContact CG-CB 4.33Å; Y364-R370 HydrophobicContact CD2-CB 3.82Å; Y364-R370 HydrophobicContact CD2-CG 4.35Å; Y364-R370 HydrophobicContact CE1-CB 4.39Å; Y364-R370 HydrophobicContact CE2-CB 3.66Å; Y364-R370 HydrophobicContact CE2-CG 3.84Å; Y364-R370 HydrophobicContact CG-CB 4.28Å; Y364-E373 WeakPolarHBondContact CE1-OE2 3.38Å; Y364-E373 VanDerWaalsContact CZ-OE2 3.28Å; Y364-E373 PolarHBondContact OH-OE2 3.43Å | ||
| 365 | Y | 92.4 | Very high | 92.1 | Very high | 91 Ų | 91 | 61.2 Ų | 61.2 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -94.8 | -9.1 | 178.2 | -61 | -73.2 | 0 | 0 | 0 | 112.9 | V264 A363 | V264-Y365 HydrophobicContact CB-CE1 4.28Å; V264-Y365 HydrophobicContact CG1-CE1 3.96Å; A363-Y365 HydrophobicContact CB-CE1 4.37Å; A363-Y365 HydrophobicContact CB-CE2 4.06Å |
| 366 | N | 89.6 | Confident | 91.5 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -155.4 | 166.9 | 174.2 | 60.8 | 45.3 | 0 | 0 | 0 | 111 | H258 E368 Q369 | H258-N366 PolarHBondContact CE1-O 3.18Å; N366-E368 VanDerWaalsContact C-N 3.33Å; N366-E368 PolarHBondContact OD1-N 2.86Å; N366-Q369 VanDerWaalsContact OD1-CG 3.31Å; N366-Q369 WeakPolarHBondContact OD1-CG 3.4Å; N366-Q369 PolarHBondContact OD1-N 3.28Å |
| 367 | D | 86.4 | Confident | 90.2 | Very high | 108 Ų | 108 | 74.1 Ų | 74.1 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.2 | -32.2 | -179.2 | -60.9 | -18.8 | 0 | 0 | 0 | 113 | H258 Q369 R370 S371 | H258-D367 IonicContact CE1-OD1 2.76Å; H258-D367 PolarHBondContact CE1-OD1 2.84Å; H258-D367 IonicContact ND1-OD1 3.47Å; D367-Q369 VanDerWaalsContact C-N 3.3Å; D367-Q369 PolarHBondContact O-N 3.38Å; D367-R370 PolarHBondContact O-N 3.41Å; D367-S371 PolarHBondContact O-N 3.07Å; D367-S371 PolarHBondContact O-OG 2.89Å |
| 368 | E | 88.8 | Confident | 89.9 | Confident | 145 Ų | 145 | 69.5 Ų | 69.5 | 68% | 0.678 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.6 | -36.6 | 179.9 | -172.2 | 179.7 | -172.6 | 0 | 0 | 112.7 | N366 R370 S371 T372 | N366-E368 VanDerWaalsContact C-N 3.33Å; N366-E368 PolarHBondContact OD1-N 2.86Å; E368-R370 PolarHBondContact O-N 2.69Å; E368-S371 PolarHBondContact O-N 3.47Å; E368-T372 VanDerWaalsContact O-CB 3.26Å; E368-T372 WeakPolarHBondContact O-CB 3.47Å; E368-T372 PolarHBondContact O-N 2.93Å; E368-T372 PolarHBondContact O-OG1 3.08Å |
| 369 | Q | 91.4 | Very high | 89.6 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.8 | -75.2 | 176.9 | -33.4 | 0 | 0 | 112 | Y364 N366 D367 E373 | Y364-Q369 VanDerWaalsContact CA-OE1 3.31Å; Y364-Q369 HydrophobicContact CD1-CB 3.47Å; Y364-Q369 VanDerWaalsContact CD1-CB 3.47Å; Y364-Q369 HydrophobicContact CE1-CB 4Å; Y364-Q369 HydrophobicContact CG-CB 4.33Å; N366-Q369 VanDerWaalsContact OD1-CG 3.31Å; N366-Q369 WeakPolarHBondContact OD1-CG 3.4Å; N366-Q369 PolarHBondContact OD1-N 3.28Å; D367-Q369 VanDerWaalsContact C-N 3.3Å; D367-Q369 PolarHBondContact O-N 3.38Å; Q369-E373 WeakPolarHBondContact O-CB 3.41Å; Q369-E373 PolarHBondContact O-N 3.47Å |
| 370 | R | 89.4 | Confident | 89.3 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 3% | 0.03 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.4 | -47.1 | 176 | -178.2 | -178.9 | 174.6 | -76.4 | -12.3 | 111 | E150 H258 Y364 D367 E368 T372 E373 C374 | E150-R370 PolarHBondContact O-NH2 3.05Å; H258-R370 VanDerWaalsContact NE2-CB 3.3Å; H258-R370 WeakPolarHBondContact NE2-CB 3.36Å; H258-R370 WeakPolarHBondContact NE2-CD 3.44Å; Y364-R370 HydrophobicContact CD2-CB 3.82Å; Y364-R370 HydrophobicContact CD2-CG 4.35Å; Y364-R370 HydrophobicContact CE1-CB 4.39Å; Y364-R370 HydrophobicContact CE2-CB 3.66Å; Y364-R370 HydrophobicContact CE2-CG 3.84Å; Y364-R370 HydrophobicContact CG-CB 4.28Å; D367-R370 PolarHBondContact O-N 3.41Å; E368-R370 PolarHBondContact O-N 2.69Å; R370-T372 VanDerWaalsContact C-N 3.3Å; R370-T372 PolarHBondContact O-N 3.14Å; R370-E373 PolarHBondContact O-N 3.14Å; R370-C374 WeakPolarHBondContact O-CB 3.29Å; R370-C374 PolarHBondContact O-N 3.01Å |
| 371 | S | 90.4 | Very high | 89.1 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | -178.2 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | D367 E368 S375 L376 | D367-S371 PolarHBondContact O-N 3.07Å; D367-S371 PolarHBondContact O-OG 2.89Å; E368-S371 PolarHBondContact O-N 3.47Å; S371-S375 PolarHBondContact O-N 3.24Å; S371-L376 PolarHBondContact O-N 2.95Å |
| 372 | T | 91.5 | Very high | 89 | Confident | 100 Ų | 100 | 69.1 Ų | 69.1 | 61% | 0.613 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.4 | -49.4 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | E368 R370 C374 S375 | E368-T372 VanDerWaalsContact O-CB 3.26Å; E368-T372 WeakPolarHBondContact O-CB 3.47Å; E368-T372 PolarHBondContact O-N 2.93Å; E368-T372 PolarHBondContact O-OG1 3.08Å; R370-T372 VanDerWaalsContact C-N 3.3Å; R370-T372 PolarHBondContact O-N 3.14Å; T372-C374 PolarHBondContact O-N 3.43Å; T372-S375 PolarHBondContact O-N 3.48Å |
| 373 | E | 89.6 | Confident | 88.8 | Confident | 47 Ų | 47 | 72.3 Ų | 72.3 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.9 | -37.7 | -178.1 | -174.5 | 166.1 | 176.8 | 0 | 0 | 112.2 | A153 F154 R253 Y364 Q369 R370 S375 | A153-E373 WeakPolarHBondContact CB-O 3.27Å; F154-E373 HydrophobicContact CE2-CG 3.66Å; F154-E373 HydrophobicContact CZ-CG 4.22Å; R253-E373 WeakPolarHBondContact CD-OE1 3.48Å; R253-E373 WeakPolarHBondContact CD-OE2 3.47Å; R253-E373 IonicContact CZ-OE2 3.55Å; R253-E373 IonicContact NE-OE1 2.67Å; R253-E373 IonicContact NE-OE2 3.13Å; R253-E373 PolarHBondContact NE-OE2 3.48Å; Y364-E373 WeakPolarHBondContact CE1-OE2 3.38Å; Y364-E373 VanDerWaalsContact CZ-OE2 3.28Å; Y364-E373 PolarHBondContact OH-OE2 3.43Å; Q369-E373 WeakPolarHBondContact O-CB 3.41Å; Q369-E373 PolarHBondContact O-N 3.47Å; R370-E373 PolarHBondContact O-N 3.14Å; E373-S375 VanDerWaalsContact C-N 3.29Å; E373-S375 PolarHBondContact O-N 2.95Å |
| 374 | C | 90.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1 | 176.6 | -74.1 | 0 | 0 | 0 | 0 | 114.5 | C151 P152 R370 T372 L376 | C151-C374 HydrophobicContact CB-CB 3.92Å; C151-C374 WeakPolarHBondContact CB-SG 3.36Å; C151-C374 WeakPolarHBondContact SG-CA 3.24Å; C151-C374 WeakPolarHBondContact SG-CB 3.3Å; C151-C374 CovalentContact SG-SG 2.05Å; C151-C374 PolarHBondContact SG-SG 2.91Å; P152-C374 WeakPolarHBondContact CD-O 3.23Å; R370-C374 WeakPolarHBondContact O-CB 3.29Å; R370-C374 PolarHBondContact O-N 3.01Å; T372-C374 PolarHBondContact O-N 3.43Å; C374-L376 HydrophobicContact CB-CD1 3.96Å; C374-L376 HydrophobicContact CB-CD2 4.37Å; C374-L376 HydrophobicContact CB-CG 3.72Å; C374-L376 PolarHBondContact O-N 3Å |
| 375 | S | 89 | Confident | 88 | Confident | 78 Ų | 78 | 83.3 Ų | 83.3 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 38.5 | -173.6 | -56.5 | 0 | 0 | 0 | 0 | 113.2 | S371 T372 E373 Q377 | S371-S375 PolarHBondContact O-N 3.24Å; T372-S375 PolarHBondContact O-N 3.48Å; E373-S375 VanDerWaalsContact C-N 3.29Å; E373-S375 PolarHBondContact O-N 2.95Å; S375-Q377 PolarHBondContact O-N 3.3Å |
| 376 | L | 85.7 | Confident | 87.6 | Confident | 56 Ų | 56 | 82.7 Ų | 82.7 | 29% | 0.293 | 43% | 0.434 | S | S | . | . | trans | -81 | 109.3 | 173.9 | -58.1 | 175.6 | 0 | 0 | 0 | 107.5 | P152 S371 C374 | P152-L376 HydrophobicContact CG-CD2 4.23Å; S371-L376 PolarHBondContact O-N 2.95Å; C374-L376 HydrophobicContact CB-CD1 3.96Å; C374-L376 HydrophobicContact CB-CD2 4.37Å; C374-L376 HydrophobicContact CB-CG 3.72Å; C374-L376 PolarHBondContact O-N 3Å | ||
| 377 | Q | 69.1 | Low | 87.4 | Confident | 266 Ų | 266 | 83.5 Ų | 83.5 | 100% | 1.243 | 44% | 0.438 | S | S | * | . | trans | -75.8 | 0 | 178.6 | -71.1 | -173 | -11.2 | 0 | 0 | 112.4 | S375 | S375-Q377 PolarHBondContact O-N 3.3Š|
Retrieved 377 of 377 residues in 128.5 ms
(Link to these results)