A0A077ZCZ6_TRITR Loading...

beta-N-acetylhexosaminidase

AlphaFold DB , UniProt , Accession A0A077ZCZ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 334 aa.

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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
1M91.6Very high96.8Very high115 Ų11582.8 Ų82.857%0.56742%0.424SS*.  0-73.20-167.9163.183.100111.2E3 T4 V5 T325 V328 E329M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.29Å; M1-T4 WeakPolarHBondContact O-CA 3.39Å; M1-T4 WeakPolarHBondContact O-CB 3.4Å; M1-T4 PolarHBondContact O-N 3.18Å; M1-V5 HydrophobicContact CG-CG2 4.47Å; M1-V5 PolarHBondContact O-N 3.34Å; M1-T325 HydrophobicContact CE-CG2 3.84Å; M1-T325 HydrophobicContact SD-CG2 4.04Å; M1-V328 HydrophobicContact CB-CG1 4.35Å; M1-V328 HydrophobicContact CG-CB 4.3Å; M1-V328 HydrophobicContact CG-CG1 3.79Å; M1-V328 HydrophobicContact SD-CG1 4.39Å; M1-E329 HydrophobicContact SD-CG 3.75Å
2K94.6Very high96.9Very high140 Ų14077.4 Ų77.461%0.60940%0.396SS*.Hα-helixtrans-51.5-47.6-178.3-179.3162.2-176.7149.10114T4 V5 D6K2-T4 VanDerWaalsContact C-N 3.34Å; K2-T4 PolarHBondContact O-N 3.1Å; K2-V5 PolarHBondContact O-N 3.41Å; K2-V5 VanDerWaalsContact O-N 3.16Å; K2-D6 WeakPolarHBondContact CE-OD2 3.44Å; K2-D6 WeakPolarHBondContact CG-OD2 3.4Å; K2-D6 WeakPolarHBondContact O-CB 3.5Å; K2-D6 VanDerWaalsContact O-CG 3.28Å; K2-D6 PolarHBondContact O-N 2.94Å
3E96.7Very high97Very high164 Ų16476.3 Ų76.377%0.76640%0.396SS*.Hα-helixtrans-58.8-42176.3-174.5-178.6176.800113.2M1 K7M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.29Å; E3-K7 WeakPolarHBondContact O-CB 3.17Å; E3-K7 PolarHBondContact O-N 3.36Å
4T97.6Very high97.1Very high31 Ų3174.4 Ų74.419%0.1939%0.386CS..Hα-helixtrans-62.3-43.8175.5-49.80000111.2M1 K2 T8 V328 I333M1-T4 WeakPolarHBondContact O-CA 3.39Å; M1-T4 WeakPolarHBondContact O-CB 3.4Å; M1-T4 PolarHBondContact O-N 3.18Å; K2-T4 VanDerWaalsContact C-N 3.34Å; K2-T4 PolarHBondContact O-N 3.1Å; T4-T8 WeakPolarHBondContact O-CB 3.28Å; T4-T8 PolarHBondContact O-N 3.22Å; T4-T8 PolarHBondContact O-OG1 3.34Å; T4-V328 HydrophobicContact CG2-CG2 4.05Å; T4-I333 HydrophobicContact CG2-CG2 3.8Å
5V98Very high97.2Very high1 Ų175.6 Ų75.61%0.00639%0.389CS..Hα-helixtrans-63.8-52.5178172.10000110.4M1 K2 K7 T8 M9 E321 L324 V328M1-V5 HydrophobicContact CG-CG2 4.47Å; M1-V5 PolarHBondContact O-N 3.34Å; K2-V5 PolarHBondContact O-N 3.41Å; K2-V5 VanDerWaalsContact O-N 3.16Å; V5-K7 VanDerWaalsContact C-N 3.34Å; V5-K7 PolarHBondContact O-N 3.26Å; V5-T8 PolarHBondContact O-N 2.91Å; V5-T8 VanDerWaalsContact O-N 3.17Å; V5-M9 WeakPolarHBondContact O-CB 3.22Å; V5-M9 PolarHBondContact O-N 3.37Å; V5-E321 HydrophobicContact CG1-CG 3.95Å; V5-L324 HydrophobicContact CG1-CB 3.93Å; V5-L324 HydrophobicContact CG1-CD1 4.49Å; V5-L324 HydrophobicContact CG2-CB 4.39Å; V5-V328 HydrophobicContact CG2-CG2 3.99Å
6D97.5Very high97.3Very high47 Ų4771.8 Ų71.825%0.25137%0.369SS..Hα-helixtrans-59.4-44.8-179.6-68.3-18.8000111.1K2 T8 M9 N10K2-D6 WeakPolarHBondContact CE-OD2 3.44Å; K2-D6 WeakPolarHBondContact CG-OD2 3.4Å; K2-D6 WeakPolarHBondContact O-CB 3.5Å; K2-D6 VanDerWaalsContact O-CG 3.28Å; K2-D6 PolarHBondContact O-N 2.94Å; D6-T8 PolarHBondContact O-N 3.49Å; D6-M9 PolarHBondContact O-N 3.14Å; D6-N10 WeakPolarHBondContact O-CB 3.2Å; D6-N10 PolarHBondContact O-N 3.28Å; D6-N10 PolarHBondContact O-ND2 2.82Å
7K97.7Very high97.4Very high162 Ų16268.9 Ų68.970%0.70435%0.353SS*.Hα-helixtrans-61.7-43.6177.4-178.5-177.6176.4-1740111.9E3 V5 A11E3-K7 WeakPolarHBondContact O-CB 3.17Å; E3-K7 PolarHBondContact O-N 3.36Å; V5-K7 VanDerWaalsContact C-N 3.34Å; V5-K7 PolarHBondContact O-N 3.26Å; K7-A11 PolarHBondContact O-N 2.63Å
8T97.8Very high97.5Very high32 Ų3265.1 Ų65.120%0.19633%0.333CS..Hα-helixtrans-65.8-49.9179.3-55.90000110.1T4 V5 D6 N10 A11 M12 L324 I333T4-T8 WeakPolarHBondContact O-CB 3.28Å; T4-T8 PolarHBondContact O-N 3.22Å; T4-T8 PolarHBondContact O-OG1 3.34Å; V5-T8 PolarHBondContact O-N 2.91Å; V5-T8 VanDerWaalsContact O-N 3.17Å; D6-T8 PolarHBondContact O-N 3.49Å; T8-N10 PolarHBondContact O-N 3.25Å; T8-A11 PolarHBondContact O-N 3.48Å; T8-A11 VanDerWaalsContact O-N 3.14Å; T8-M12 WeakPolarHBondContact O-CG 3.41Å; T8-M12 PolarHBondContact O-N 3.23Å; T8-L324 HydrophobicContact CG2-CD1 4.15Å; T8-L324 HydrophobicContact CG2-CD2 3.94Å; T8-I333 HydrophobicContact CG2-CD1 4.37Å
9M97.9Very high97.5Very high17 Ų1761.6 Ų61.68%0.08432%0.316CS..Hα-helixtrans-62-39.7-178.9-171.717159.600112.8V5 D6 A11 M12 K17 N317 V320 E321 L324V5-M9 WeakPolarHBondContact O-CB 3.22Å; V5-M9 PolarHBondContact O-N 3.37Å; D6-M9 PolarHBondContact O-N 3.14Å; M9-A11 PolarHBondContact O-N 3.09Å; M9-M12 PolarHBondContact O-N 3.15Å; M9-K17 WeakPolarHBondContact O-CE 3.44Å; M9-N317 HydrophobicContact SD-CB 4.13Å; M9-V320 HydrophobicContact CG-CG1 3.95Å; M9-V320 HydrophobicContact SD-CB 4.32Å; M9-V320 HydrophobicContact SD-CG1 4.11Å; M9-E321 HydrophobicContact SD-CB 4.34Å; M9-L324 HydrophobicContact CB-CD1 3.71Å; M9-L324 HydrophobicContact CG-CD1 4.38Å
10N97.6Very high97.6Very high129 Ų12958.7 Ų58.769%0.6930%0.301SS*.Hα-helixtrans-70.8-18.9178.9-71.8-27.5000113.4D6 T8D6-N10 WeakPolarHBondContact O-CB 3.2Å; D6-N10 PolarHBondContact O-N 3.28Å; D6-N10 PolarHBondContact O-ND2 2.82Å; T8-N10 PolarHBondContact O-N 3.25Å
11A97.5Very high97.7Very high73 Ų7355.9 Ų55.960%0.60329%0.286SS*.THydrogen-bonded Turntrans-88.9-5.6175.800000113.2K7 T8 M9K7-A11 PolarHBondContact O-N 2.63Å; T8-A11 PolarHBondContact O-N 3.48Å; T8-A11 VanDerWaalsContact O-N 3.14Å; M9-A11 PolarHBondContact O-N 3.09Å
12M98.5Very high98Very high18 Ų1850.4 Ų50.49%0.08926%0.259CS..  trans-87.6139.3-177.6-69171.569.500112.3T8 M9 E16 K17 Q20 V320 L324T8-M12 WeakPolarHBondContact O-CG 3.41Å; T8-M12 PolarHBondContact O-N 3.23Å; M9-M12 PolarHBondContact O-N 3.15Å; M12-E16 VanDerWaalsContact CA-OE2 3.22Å; M12-E16 WeakPolarHBondContact CA-OE2 3.32Å; M12-E16 HydrophobicContact CB-CB 4.03Å; M12-E16 HydrophobicContact CE-CB 3.92Å; M12-E16 VanDerWaalsContact CE-O 3.23Å; M12-E16 WeakPolarHBondContact CE-O 3.41Å; M12-E16 HydrophobicContact CG-CB 4.32Å; M12-K17 HydrophobicContact CB-CG 3.86Å; M12-K17 HydrophobicContact CE-CB 4.39Å; M12-K17 HydrophobicContact CE-CG 3.98Å; M12-K17 HydrophobicContact SD-CG 4.46Å; M12-Q20 HydrophobicContact CE-CB 4.08Å; M12-Q20 HydrophobicContact CE-CG 3.31Å; M12-V320 HydrophobicContact CE-CG1 4.42Å; M12-V320 HydrophobicContact SD-CG1 4.2Å; M12-L324 HydrophobicContact SD-CD1 4.16Å
13T98.4Very high98.2Very high63 Ų6343.8 Ų43.839%0.38723%0.23SC..  trans-71.4171.7165.779.60000111.2E15 E16 K17T13-E15 VanDerWaalsContact C-N 3.33Å; T13-E15 VanDerWaalsContact CB-OE2 3.28Å; T13-E15 WeakPolarHBondContact CB-OE2 3.28Å; T13-E15 PolarHBondContact OG1-N 3.24Å; T13-E15 PolarHBondContact OG1-OE2 3.21Å; T13-E16 PolarHBondContact N-OE2 2.97Å; T13-E16 PolarHBondContact O-N 3.26Å; T13-E16 PolarHBondContact OG1-N 3.35Å; T13-K17 WeakPolarHBondContact O-CG 3.48Å; T13-K17 PolarHBondContact O-N 2.92Å
14L98.5Very high98.3Very high50 Ų5036 Ų3626%0.26219%0.194SC..Hα-helixtrans-63-42.4175.9-176.164.1000111.3E16 K17 V18 L303 I306 E313 L316L14-E16 VanDerWaalsContact C-N 3.35Å; L14-K17 WeakPolarHBondContact O-CB 3.29Å; L14-K17 PolarHBondContact O-N 3.45Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 2.92Å; L14-L303 HydrophobicContact CB-CD2 4.48Å; L14-L303 HydrophobicContact CD2-CD2 3.98Å; L14-L303 HydrophobicContact CG-CD2 3.75Å; L14-I306 HydrophobicContact CD1-CD1 4.23Å; L14-I306 HydrophobicContact CD1-CG2 4.32Å; L14-I306 HydrophobicContact CD2-CG2 4.21Å; L14-E313 HydrophobicContact CD1-CG 4.43Å; L14-L316 HydrophobicContact CD1-CD2 3.44Å; L14-L316 VanDerWaalsContact CD1-CD2 3.44Å
15E98.5Very high98.2Very high92 Ų9237.4 Ų37.443%0.4320%0.196SC..Hα-helixtrans-61.3-43.5176.6-58.180.4-178.400111.2T13 K17 V18 G19 L303T13-E15 VanDerWaalsContact C-N 3.33Å; T13-E15 VanDerWaalsContact CB-OE2 3.28Å; T13-E15 WeakPolarHBondContact CB-OE2 3.28Å; T13-E15 PolarHBondContact OG1-N 3.24Å; T13-E15 PolarHBondContact OG1-OE2 3.21Å; E15-K17 VanDerWaalsContact C-N 3.33Å; E15-K17 PolarHBondContact O-N 3.48Å; E15-V18 PolarHBondContact O-N 2.86Å; E15-G19 PolarHBondContact O-N 2.65Å; E15-L303 HydrophobicContact CG-CD1 3.98Å; E15-L303 HydrophobicContact CG-CD2 4.25Å
16E98.7Very high98.2Very high14 Ų1437.3 Ų37.37%0.06520%0.195CC..Hα-helixtrans-62.2-42.3175.2-70.2174.9153.500111M12 T13 L14 G19 Q20 H39 K70M12-E16 VanDerWaalsContact CA-OE2 3.22Å; M12-E16 WeakPolarHBondContact CA-OE2 3.32Å; M12-E16 HydrophobicContact CB-CB 4.03Å; M12-E16 HydrophobicContact CE-CB 3.92Å; M12-E16 VanDerWaalsContact CE-O 3.23Å; M12-E16 WeakPolarHBondContact CE-O 3.41Å; M12-E16 HydrophobicContact CG-CB 4.32Å; T13-E16 PolarHBondContact N-OE2 2.97Å; T13-E16 PolarHBondContact O-N 3.26Å; T13-E16 PolarHBondContact OG1-N 3.35Å; L14-E16 VanDerWaalsContact C-N 3.35Å; E16-G19 PolarHBondContact O-N 3.16Å; E16-Q20 VanDerWaalsContact O-CG 3.27Å; E16-Q20 WeakPolarHBondContact O-CG 3.24Å; E16-Q20 PolarHBondContact O-N 2.83Å; E16-H39 HydrophobicContact CB-CB 4.43Å; E16-H39 HydrophobicContact CG-CB 4.2Å; E16-K70 VanDerWaalsContact CD-NZ 3.34Å; E16-K70 WeakPolarHBondContact OE1-CD 3.2Å; E16-K70 WeakPolarHBondContact OE1-CE 3.33Å; E16-K70 IonicContact OE1-NZ 3.67Å; E16-K70 PolarHBondContact OE1-NZ 2.95Å; E16-K70 IonicContact OE2-NZ 2.63Å; E16-K70 PolarHBondContact OE2-NZ 3.02Å
17K98.8Very high98.1Very high23 Ų2336 Ų3610%0.119%0.19CC..Hα-helixtrans-62.9-46.9177.8-74.8177.9-176.7-174.90112.2M9 M12 T13 L14 E15 Q20 L316 N317 V320M9-K17 WeakPolarHBondContact O-CE 3.44Å; M12-K17 HydrophobicContact CB-CG 3.86Å; M12-K17 HydrophobicContact CE-CB 4.39Å; M12-K17 HydrophobicContact CE-CG 3.98Å; M12-K17 HydrophobicContact SD-CG 4.46Å; T13-K17 WeakPolarHBondContact O-CG 3.48Å; T13-K17 PolarHBondContact O-N 2.92Å; L14-K17 WeakPolarHBondContact O-CB 3.29Å; L14-K17 PolarHBondContact O-N 3.45Å; E15-K17 VanDerWaalsContact C-N 3.33Å; E15-K17 PolarHBondContact O-N 3.48Å; K17-Q20 PolarHBondContact O-N 3.42Å; K17-L316 HydrophobicContact CB-CD1 4.13Å; K17-L316 HydrophobicContact CB-CD2 3.87Å; K17-L316 HydrophobicContact CB-CG 4.1Å; K17-L316 HydrophobicContact CD-CD2 4.33Å; K17-N317 WeakPolarHBondContact CD-OD1 3.45Å; K17-N317 WeakPolarHBondContact CE-OD1 3.4Å; K17-N317 PolarHBondContact NZ-OD1 3.13Å; K17-V320 HydrophobicContact CB-CG2 3.93Å; K17-V320 HydrophobicContact CG-CG1 4.49Å; K17-V320 HydrophobicContact CG-CG2 4.2Å
18V98.8Very high97.9Very high0 Ų034.6 Ų34.60%019%0.185CC..Hα-helixtrans-64.6-44.3177.9174.30000110.7L14 E15 Q20 L21 F22 I299 I302 L303 I306 L316L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 2.92Å; E15-V18 PolarHBondContact O-N 2.86Å; V18-Q20 VanDerWaalsContact C-N 3.27Å; V18-Q20 PolarHBondContact O-N 2.79Å; V18-L21 WeakPolarHBondContact O-CB 3.45Å; V18-L21 PolarHBondContact O-N 2.94Å; V18-F22 HydrophobicContact CG1-CE2 4.27Å; V18-F22 WeakPolarHBondContact O-CD2 3.23Å; V18-I299 HydrophobicContact CG1-CB 4.39Å; V18-I299 HydrophobicContact CG1-CG1 4.29Å; V18-I299 HydrophobicContact CG1-CG2 4Å; V18-I302 HydrophobicContact CG1-CB 4.08Å; V18-I302 HydrophobicContact CG1-CG2 3.76Å; V18-I302 HydrophobicContact CG2-CG2 4.07Å; V18-L303 HydrophobicContact CB-CD2 4.18Å; V18-L303 HydrophobicContact CB-CG 4.48Å; V18-L303 HydrophobicContact CG1-CG 4.48Å; V18-L303 HydrophobicContact CG2-CD2 3.74Å; V18-L303 HydrophobicContact CG2-CG 4.3Å; V18-I306 HydrophobicContact CG2-CD1 3.59Å; V18-L316 HydrophobicContact CG2-CD1 4.25Å; V18-L316 HydrophobicContact CG2-CD2 4.14Å
19G98.7Very high97.7Very high0 Ų039.7 Ų39.70%021%0.207CC..Hα-helixtrans-57.5-38.6177.200000113.5E15 E16 L21 F22 Y38 H39 L40 G41E15-G19 PolarHBondContact O-N 2.65Å; E16-G19 PolarHBondContact O-N 3.16Å; G19-L21 PolarHBondContact O-N 3.31Å; G19-L21 VanDerWaalsContact O-N 3.17Å; G19-F22 PolarHBondContact O-N 3.32Å; G19-Y38 WeakPolarHBondContact CA-O 3.34Å; G19-H39 CarbonylContact C-O 3.41Å; G19-H39 WeakPolarHBondContact CA-O 3.27Å; G19-L40 CarbonylContact O-C 2.98Å; G19-L40 WeakPolarHBondContact O-CA 3.49Å; G19-G41 PolarHBondContact O-N 3.38Å
20Q98.7Very high97.6Very high3 Ų343.7 Ų43.71%0.01423%0.229CC..THydrogen-bonded Turntrans-64.7-17.8177.5-71.6-56.2-78.900114.1M12 E16 K17 V18 F22 H39 L40 G41 L323M12-Q20 HydrophobicContact CE-CB 4.08Å; M12-Q20 HydrophobicContact CE-CG 3.31Å; E16-Q20 VanDerWaalsContact O-CG 3.27Å; E16-Q20 WeakPolarHBondContact O-CG 3.24Å; E16-Q20 PolarHBondContact O-N 2.83Å; K17-Q20 PolarHBondContact O-N 3.42Å; V18-Q20 VanDerWaalsContact C-N 3.27Å; V18-Q20 PolarHBondContact O-N 2.79Å; Q20-F22 PolarHBondContact O-N 3.46Å; Q20-H39 PolarHBondContact N-O 3.17Å; Q20-H39 PolarHBondContact NE2-O 3.02Å; Q20-L40 PolarHBondContact NE2-O 3.47Å; Q20-G41 WeakPolarHBondContact O-CA 3.27Å; Q20-L323 WeakPolarHBondContact O-CD1 3.33Å
21L98.8Very high97.5Very high0 Ų040.4 Ų40.40%021%0.209CC..THydrogen-bonded Turntrans-76.2-5.1174.8-49.8-172.3000112.9V18 G19 L283 D288 M289 I290 L316 V320 L323V18-L21 WeakPolarHBondContact O-CB 3.45Å; V18-L21 PolarHBondContact O-N 2.94Å; G19-L21 PolarHBondContact O-N 3.31Å; G19-L21 VanDerWaalsContact O-N 3.17Å; L21-L283 HydrophobicContact CB-CD2 4.49Å; L21-L283 HydrophobicContact CD1-CD1 3.57Å; L21-L283 HydrophobicContact CD1-CD2 3.72Å; L21-L283 HydrophobicContact CD1-CG 4.3Å; L21-D288 WeakPolarHBondContact CD2-O 3.04Å; L21-M289 CarbonylContact O-C 3.6Å; L21-M289 VanDerWaalsContact O-CA 3.24Å; L21-M289 WeakPolarHBondContact O-CA 3.45Å; L21-I290 PolarHBondContact O-N 2.91Å; L21-L316 HydrophobicContact CD1-CD1 3.58Å; L21-L316 HydrophobicContact CD2-CD1 4.24Å; L21-L316 HydrophobicContact CG-CD1 4.07Å; L21-V320 HydrophobicContact CD2-CG2 3.85Å; L21-L323 HydrophobicContact CD2-CD1 3.65Å
22F98.8Very high97.5Very high0 Ų039.7 Ų39.70%020%0.197CC..EExtended strand (participates in β ladder)trans-105.3127.7-176-74.2-91.5000112.7V18 G19 Q20 L40 G41 G42 I290 Q298 I299 I302V18-F22 HydrophobicContact CG1-CE2 4.27Å; V18-F22 WeakPolarHBondContact O-CD2 3.23Å; G19-F22 PolarHBondContact O-N 3.32Å; Q20-F22 PolarHBondContact O-N 3.46Å; F22-L40 HydrophobicContact CB-CD2 4.11Å; F22-G41 CarbonylContact O-C 3.55Å; F22-G41 VanDerWaalsContact O-CA 3.24Å; F22-G41 WeakPolarHBondContact O-CA 3.48Å; F22-G41 PolarHBondContact O-N 2.92Å; F22-G42 PolarHBondContact O-N 2.96Å; F22-I290 HydrophobicContact CD1-CB 3.99Å; F22-I290 HydrophobicContact CD1-CG2 3.94Å; F22-I290 HydrophobicContact CE1-CB 3.91Å; F22-I290 HydrophobicContact CE1-CD1 3.78Å; F22-I290 HydrophobicContact CE1-CG1 4.49Å; F22-I290 HydrophobicContact CE1-CG2 3.69Å; F22-I290 HydrophobicContact CE2-CD1 4.2Å; F22-I290 HydrophobicContact CZ-CD1 3.6Å; F22-Q298 HydrophobicContact CE1-CB 3.85Å; F22-Q298 VanDerWaalsContact CE1-OE1 3.27Å; F22-Q298 HydrophobicContact CZ-CB 3.77Å; F22-I299 HydrophobicContact CD2-CD1 3.78Å; F22-I299 HydrophobicContact CD2-CG1 3.49Å; F22-I299 VanDerWaalsContact CD2-CG1 3.49Å; F22-I299 HydrophobicContact CE2-CD1 4.14Å; F22-I299 HydrophobicContact CE2-CG1 3.32Å; F22-I299 HydrophobicContact CG-CD1 4.15Å; F22-I299 HydrophobicContact CG-CG1 4.18Å; F22-I299 HydrophobicContact CZ-CG1 3.87Å; F22-I302 HydrophobicContact CE2-CD1 3.87Å; F22-I302 HydrophobicContact CZ-CD1 3.56Å
23M98.5Very high97.4Very high0 Ų040.5 Ų40.50%021%0.207CC..EExtended strand (participates in β ladder)trans-102.1104.2158.6-169.9161.446.700108.2G42 L44 M132 M260 M289 I290 L291 S292M23-G42 CarbonylContact C-O 3.02Å; M23-G42 WeakPolarHBondContact CA-O 3.33Å; M23-L44 HydrophobicContact CG-CB 4.07Å; M23-L44 HydrophobicContact SD-CB 4.14Å; M23-M132 HydrophobicContact CE-CE 3.2Å; M23-M132 HydrophobicContact CE-SD 4.43Å; M23-M132 HydrophobicContact SD-CE 3.12Å; M23-M132 WeakPolarHBondContact SD-CE 3.38Å; M23-M260 HydrophobicContact CE-CE 4.39Å; M23-M260 HydrophobicContact CE-SD 3.8Å; M23-M289 HydrophobicContact CB-CE 3.46Å; M23-M289 VanDerWaalsContact CB-CE 3.46Å; M23-M289 HydrophobicContact CB-CG 4.19Å; M23-M289 HydrophobicContact CE-CE 3.86Å; M23-M289 HydrophobicContact CG-CE 3.78Å; M23-M289 HydrophobicContact SD-CE 3.38Å; M23-M289 WeakPolarHBondContact SD-CE 3.33Å; M23-I290 PolarHBondContact N-O 3.47Å; M23-L291 HydrophobicContact CB-CD1 4.3Å; M23-L291 HydrophobicContact CE-CB 4.1Å; M23-L291 HydrophobicContact CE-CD1 4.07Å; M23-L291 HydrophobicContact CE-CD2 4.44Å; M23-L291 HydrophobicContact CE-CG 4.42Å; M23-L291 HydrophobicContact CG-CD1 4.08Å; M23-L291 VanDerWaalsContact O-CA 3.29Å; M23-L291 WeakPolarHBondContact O-CA 3.27Å; M23-L291 WeakPolarHBondContact O-CD1 3.36Å; M23-S292 PolarHBondContact O-N 3.1Å
24A98.2Very high97.4Very high0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-84.1149.5178.900000110.6L40 G42 Y43 L44 S292 Y295A24-L40 HydrophobicContact CB-CD1 4.08Å; A24-G42 PolarHBondContact N-O 2.97Å; A24-Y43 HydrophobicContact CB-CD1 3.73Å; A24-Y43 HydrophobicContact CB-CE1 3.69Å; A24-Y43 CarbonylContact O-C 3.51Å; A24-Y43 VanDerWaalsContact O-CA 3.25Å; A24-Y43 WeakPolarHBondContact O-CA 3.41Å; A24-L44 PolarHBondContact O-N 3.19Å; A24-S292 WeakPolarHBondContact CA-O 3.3Å; A24-Y295 HydrophobicContact CB-CD1 3.48Å; A24-Y295 VanDerWaalsContact CB-CD1 3.48Å; A24-Y295 HydrophobicContact CB-CE1 3.51Å; A24-Y295 HydrophobicContact CB-CG 4.41Å
25R96.6Very high97.4Very high61 Ų6136.2 Ų36.223%0.2318%0.182CC..EExtended strand (participates in β ladder)trans-59.5142.5151.6-58.3-168.9178.5157.9-15107P27 F46 D263 D265 S293R25-P27 WeakPolarHBondContact O-CD 3.39Å; R25-P27 VanDerWaalsContact O-N 3.08Å; R25-F46 HydrophobicContact CB-CD2 4.44Å; R25-F46 HydrophobicContact CB-CE2 4.43Å; R25-F46 HydrophobicContact CG-CD2 4.13Å; R25-F46 HydrophobicContact CG-CE2 3.69Å; R25-F46 HydrophobicContact CG-CZ 4.27Å; R25-D263 VanDerWaalsContact CZ-CG 3.5Å; R25-D263 IonicContact CZ-OD1 3.56Å; R25-D263 IonicContact CZ-OD2 2.86Å; R25-D263 IonicContact NE-OD1 3.41Å; R25-D263 PolarHBondContact NE-OD1 3.31Å; R25-D263 IonicContact NE-OD2 2.99Å; R25-D263 PolarHBondContact NE-OD2 3.34Å; R25-D263 IonicContact NH2-OD1 2.8Å; R25-D263 PolarHBondContact NH2-OD1 3.05Å; R25-D263 IonicContact NH2-OD2 3.3Å; R25-D263 PolarHBondContact NH2-OD2 3.2Å; R25-D265 IonicContact CZ-OD2 3.85Å; R25-D265 VanDerWaalsContact CZ-OD2 3.3Å; R25-D265 IonicContact NE-OD2 3.75Å; R25-D265 VanDerWaalsContact NH1-CB 3.32Å; R25-D265 IonicContact NH1-OD2 2.72Å; R25-D265 PolarHBondContact NH1-OD2 3.31Å; R25-S293 WeakPolarHBondContact CB-OG 3.28Å; R25-S293 VanDerWaalsContact CD-OG 3.26Å; R25-S293 WeakPolarHBondContact CD-OG 3.46Å; R25-S293 WeakPolarHBondContact CG-OG 3.47Å
26V97.5Very high97.4Very high0 Ų036.7 Ų36.70%018%0.184CC..PPolyproline II helixtrans-58120.9175179.90000108.2Q31 Y43 L45 R48 D49 Y65V26-Q31 HydrophobicContact CG1-CG 3.62Å; V26-Y43 HydrophobicContact CG1-CE2 4.5Å; V26-Y43 HydrophobicContact CG2-CD1 4.49Å; V26-Y43 HydrophobicContact CG2-CD2 3.92Å; V26-Y43 HydrophobicContact CG2-CG 3.85Å; V26-L45 HydrophobicContact CG2-CD2 3.77Å; V26-R48 PolarHBondContact O-NH2 3.25Å; V26-D49 WeakPolarHBondContact CB-OD1 3.11Å; V26-Y65 HydrophobicContact CG1-CE2 4.39Å; V26-Y65 WeakPolarHBondContact CG1-OH 3.34Å; V26-Y65 HydrophobicContact CG2-CE2 4.26Å
27P96.1Very high97.3Very high20 Ų2041.3 Ų41.313%0.1321%0.209CC..PPolyproline II helixtrans-69.5148.3-18030.5-35.9000110.1R25 Q29 Q31 Y43 Y295R25-P27 WeakPolarHBondContact O-CD 3.39Å; R25-P27 VanDerWaalsContact O-N 3.08Å; P27-Q29 WeakPolarHBondContact CB-O 3.22Å; P27-Q29 PolarHBondContact O-N 3.02Å; P27-Q31 HydrophobicContact CG-CB 4.49Å; P27-Q31 HydrophobicContact CG-CG 4.22Å; P27-Q31 WeakPolarHBondContact O-CG 3.33Å; P27-Q31 PolarHBondContact O-NE2 3Å; P27-Y43 VanDerWaalsContact CD-CZ 3.44Å; P27-Y43 VanDerWaalsContact CD-OH 3.27Å; P27-Y43 WeakPolarHBondContact CD-OH 3.4Å; P27-Y295 WeakPolarHBondContact CB-OH 3.32Å; P27-Y295 WeakPolarHBondContact CG-OH 3.38Å
28E93.4Very high97.3Very high131 Ų13143 Ų4361%0.61222%0.215SC*.SBendtrans-63.3-31-179.6-67-172.5178.600112.4Q31 R48E28-Q31 PolarHBondContact O-NE2 3.04Å; E28-R48 IonicContact OE1-CZ 2.91Å; E28-R48 IonicContact OE1-NE 3.43Å; E28-R48 IonicContact OE1-NH1 3.97Å; E28-R48 PolarHBondContact OE1-NH1 3Å
29Q93.5Very high97.3Very high140 Ų14045.5 Ų45.565%0.65423%0.227SC*.SBendtrans-132159.4-179.7-58.5-178.426.100108.7P27 Q31P27-Q29 WeakPolarHBondContact CB-O 3.22Å; P27-Q29 PolarHBondContact O-N 3.02Å; Q29-Q31 VanDerWaalsContact C-N 3.3Å; Q29-Q31 PolarHBondContact O-N 3.47Å
30N94.8Very high97.3Very high101 Ų10145.5 Ų45.554%0.5423%0.227SC..  trans62.824.5174.2-52.7-38.7000115.4V32 A33 D34N30-V32 PolarHBondContact O-N 2.63Å; N30-A33 HydrophobicContact CB-CB 4.22Å; N30-A33 PolarHBondContact O-N 3.46Å; N30-A33 VanDerWaalsContact O-N 3.09Å; N30-D34 WeakPolarHBondContact O-CB 3.47Å; N30-D34 PolarHBondContact O-N 3.38Å
31Q96.6Very high97.3Very high59 Ų5945.3 Ų45.328%0.27623%0.226SC..Hα-helixtrans-47.7-55.1-178.8-59.898.111.600112.7V26 P27 E28 Q29 D34 I35 Y43 Y65V26-Q31 HydrophobicContact CG1-CG 3.62Å; P27-Q31 HydrophobicContact CG-CB 4.49Å; P27-Q31 HydrophobicContact CG-CG 4.22Å; P27-Q31 WeakPolarHBondContact O-CG 3.33Å; P27-Q31 PolarHBondContact O-NE2 3Å; E28-Q31 PolarHBondContact O-NE2 3.04Å; Q29-Q31 VanDerWaalsContact C-N 3.3Å; Q29-Q31 PolarHBondContact O-N 3.47Å; Q31-D34 PolarHBondContact O-N 2.86Å; Q31-I35 WeakPolarHBondContact O-CD1 3.38Å; Q31-I35 VanDerWaalsContact O-CG1 3.24Å; Q31-I35 WeakPolarHBondContact O-CG1 3.33Å; Q31-I35 PolarHBondContact O-N 3.43Å; Q31-I35 VanDerWaalsContact O-N 3.16Å; Q31-Y43 HydrophobicContact CB-CE2 4.31Å; Q31-Y43 PolarHBondContact O-OH 3.2Å; Q31-Y65 HydrophobicContact CB-CD1 4.27Å; Q31-Y65 HydrophobicContact CB-CE1 3.7Å; Q31-Y65 HydrophobicContact CG-CE1 3.97Å
32V96.8Very high97.3Very high59 Ų5945.3 Ų45.336%0.35823%0.226SC..Hα-helixtrans-65.6-41.9-179169.30000112.1N30 Q36 A68N30-V32 PolarHBondContact O-N 2.63Å; V32-Q36 WeakPolarHBondContact O-CG 3.33Å; V32-Q36 PolarHBondContact O-N 2.81Å; V32-A68 HydrophobicContact CB-CB 4.34Å; V32-A68 HydrophobicContact CG1-CB 3.8Å; V32-A68 HydrophobicContact CG2-CB 4.3Å
33A97.1Very high97.3Very high34 Ų3445.3 Ų45.328%0.28123%0.226SC..Hα-helixtrans-66.9-39.5-178.700000111.3N30 Q36 N37N30-A33 HydrophobicContact CB-CB 4.22Å; N30-A33 PolarHBondContact O-N 3.46Å; N30-A33 VanDerWaalsContact O-N 3.09Å; A33-Q36 PolarHBondContact O-N 3.4Å; A33-N37 VanDerWaalsContact O-CB 3.28Å; A33-N37 WeakPolarHBondContact O-CB 3.39Å; A33-N37 PolarHBondContact O-N 3.19Å; A33-N37 PolarHBondContact O-ND2 3.47Å; A33-N37 VanDerWaalsContact O-ND2 3.15Å
34D98.2Very high97.2Very high23 Ų2345.6 Ų45.612%0.12323%0.227CC..Hα-helixtrans-70.3-37.2-179.6-76.113.2000111.7N30 Q31 Q36 N37 Y38 L40 Y295N30-D34 WeakPolarHBondContact O-CB 3.47Å; N30-D34 PolarHBondContact O-N 3.38Å; Q31-D34 PolarHBondContact O-N 2.86Å; D34-Q36 VanDerWaalsContact C-N 3.25Å; D34-Q36 PolarHBondContact O-N 3.26Å; D34-N37 PolarHBondContact O-N 2.86Å; D34-Y38 HydrophobicContact CB-CD2 4.07Å; D34-Y38 WeakPolarHBondContact O-CB 3.46Å; D34-Y38 WeakPolarHBondContact O-CD2 3.42Å; D34-Y38 PolarHBondContact O-N 3.4Å; D34-L40 HydrophobicContact CB-CD1 4.37Å; D34-Y295 HydrophobicContact CB-CE2 4.1Å; D34-Y295 WeakPolarHBondContact OD2-CE2 3.46Å; D34-Y295 PolarHBondContact OD2-OH 3.45Å
35I98.4Very high97.2Very high1 Ų145.9 Ų45.91%0.00523%0.229CC..Hα-helixtrans-54.9-45.6170-67.6162.5000110.5Q31 H39 Y43 Y65 A68 M73Q31-I35 WeakPolarHBondContact O-CD1 3.38Å; Q31-I35 VanDerWaalsContact O-CG1 3.24Å; Q31-I35 WeakPolarHBondContact O-CG1 3.33Å; Q31-I35 PolarHBondContact O-N 3.43Å; Q31-I35 VanDerWaalsContact O-N 3.16Å; I35-H39 WeakPolarHBondContact O-CA 3.4Å; I35-H39 PolarHBondContact O-N 3.39Å; I35-Y43 HydrophobicContact CD1-CD2 4.46Å; I35-Y43 HydrophobicContact CD1-CE2 3.67Å; I35-Y43 HydrophobicContact CG1-CE2 3.83Å; I35-Y65 HydrophobicContact CD1-CD1 4.16Å; I35-Y65 HydrophobicContact CD1-CG 4.29Å; I35-A68 HydrophobicContact CB-CB 4.33Å; I35-A68 HydrophobicContact CD1-CB 4.08Å; I35-A68 HydrophobicContact CG2-CB 4.06Å; I35-M73 HydrophobicContact CD1-CE 3.43Å; I35-M73 VanDerWaalsContact CD1-CE 3.43Å; I35-M73 HydrophobicContact CD1-SD 4.23Å; I35-M73 HydrophobicContact CG1-CE 3.73Å; I35-M73 HydrophobicContact CG1-SD 3.84Å; I35-M73 HydrophobicContact CG2-CE 4.33Å; I35-M73 HydrophobicContact CG2-SD 4.02Å
36Q97.6Very high97.2Very high101 Ų10145.1 Ų45.147%0.47223%0.227SC..Hα-helixtrans-74.6-40.5-176.3-69.4173.8-16.600112.6V32 A33 D34 H39 A68V32-Q36 WeakPolarHBondContact O-CG 3.33Å; V32-Q36 PolarHBondContact O-N 2.81Å; A33-Q36 PolarHBondContact O-N 3.4Å; D34-Q36 VanDerWaalsContact C-N 3.25Å; D34-Q36 PolarHBondContact O-N 3.26Å; Q36-H39 PolarHBondContact O-CE1 2.76Å; Q36-H39 PolarHBondContact O-ND1 2.79Å; Q36-A68 WeakPolarHBondContact CG-O 3.27Å
37N97.8Very high96.9Very high111 Ų11147.3 Ų47.359%0.59424%0.239SC*.Hα-helixtrans-77.4-34.7-175.8-68.7-24.5000112.7A33 D34A33-N37 VanDerWaalsContact O-CB 3.28Å; A33-N37 WeakPolarHBondContact O-CB 3.39Å; A33-N37 PolarHBondContact O-N 3.19Å; A33-N37 PolarHBondContact O-ND2 3.47Å; A33-N37 VanDerWaalsContact O-ND2 3.15Å; D34-N37 PolarHBondContact O-N 2.86Å
38Y98.4Very high96.8Very high60 Ų6051.3 Ų51.324%0.23525%0.251CS..Hα-helixtrans-110-3.1-175.1-64-71.9000113.6G19 D34 L40 Y295 S296 I299G19-Y38 WeakPolarHBondContact CA-O 3.34Å; D34-Y38 HydrophobicContact CB-CD2 4.07Å; D34-Y38 WeakPolarHBondContact O-CB 3.46Å; D34-Y38 WeakPolarHBondContact O-CD2 3.42Å; D34-Y38 PolarHBondContact O-N 3.4Å; Y38-L40 VanDerWaalsContact C-N 3.27Å; Y38-L40 PolarHBondContact O-N 2.91Å; Y38-Y295 AromaticContact CD2-CD2 3.87Å; Y38-Y295 HydrophobicContact CD2-CD2 3.87Å; Y38-Y295 AromaticContact CD2-CE2 3.73Å; Y38-Y295 HydrophobicContact CD2-CE2 3.73Å; Y38-Y295 HydrophobicContact CE2-CD2 4.27Å; Y38-Y295 AromaticContact CE2-CE2 4Å; Y38-Y295 HydrophobicContact CE2-CE2 4Å; Y38-Y295 HydrophobicContact CG-CD2 4.03Å; Y38-Y295 HydrophobicContact CG-CE2 4.35Å; Y38-S296 VanDerWaalsContact OH-CB 3.27Å; Y38-S296 WeakPolarHBondContact OH-CB 3.35Å; Y38-I299 HydrophobicContact CD1-CB 4.38Å; Y38-I299 HydrophobicContact CD1-CD1 3.98Å; Y38-I299 HydrophobicContact CD1-CG2 4.43Å; Y38-I299 HydrophobicContact CG-CD1 4.2Å
39H98.4Very high96.9Very high51 Ų5145.7 Ų45.724%0.23623%0.226CC..  trans53.143.2179-50.9-55.1000113.1E16 G19 Q20 I35 Q36E16-H39 HydrophobicContact CB-CB 4.43Å; E16-H39 HydrophobicContact CG-CB 4.2Å; G19-H39 CarbonylContact C-O 3.41Å; G19-H39 WeakPolarHBondContact CA-O 3.27Å; Q20-H39 PolarHBondContact N-O 3.17Å; Q20-H39 PolarHBondContact NE2-O 3.02Å; I35-H39 WeakPolarHBondContact O-CA 3.4Å; I35-H39 PolarHBondContact O-N 3.39Å; Q36-H39 PolarHBondContact O-CE1 2.76Å; Q36-H39 PolarHBondContact O-ND1 2.79Å
40L98.6Very high96.9Very high0 Ų039.1 Ų39.10%020%0.195CC..  trans-55.8138.8-170.1-61.9175.3000112.3G19 Q20 F22 A24 D34 Y38 Y43 M73 Y295 I299G19-L40 CarbonylContact O-C 2.98Å; G19-L40 WeakPolarHBondContact O-CA 3.49Å; Q20-L40 PolarHBondContact NE2-O 3.47Å; F22-L40 HydrophobicContact CB-CD2 4.11Å; A24-L40 HydrophobicContact CB-CD1 4.08Å; D34-L40 HydrophobicContact CB-CD1 4.37Å; Y38-L40 VanDerWaalsContact C-N 3.27Å; Y38-L40 PolarHBondContact O-N 2.91Å; L40-Y43 HydrophobicContact CD1-CD1 4.45Å; L40-Y43 HydrophobicContact CD1-CE1 3.5Å; L40-M73 HydrophobicContact CB-SD 4.27Å; L40-M73 WeakPolarHBondContact O-CG 3.37Å; L40-Y295 HydrophobicContact CD1-CE2 4.35Å; L40-Y295 HydrophobicContact CD2-CD2 3.92Å; L40-Y295 HydrophobicContact CD2-CE2 4.48Å; L40-Y295 HydrophobicContact CD2-CG 3.98Å; L40-I299 HydrophobicContact CD2-CD1 4.12Å
41G98.6Very high96.8Very high0 Ų040.9 Ų40.90%020%0.2CC..SBendtrans-70.9-31.3178.700000113.3G19 Q20 F22 M73 F74 K327G19-G41 PolarHBondContact O-N 3.38Å; Q20-G41 WeakPolarHBondContact O-CA 3.27Å; F22-G41 CarbonylContact O-C 3.55Å; F22-G41 VanDerWaalsContact O-CA 3.24Å; F22-G41 WeakPolarHBondContact O-CA 3.48Å; F22-G41 PolarHBondContact O-N 2.92Å; G41-M73 WeakPolarHBondContact O-CA 3.4Å; G41-F74 PolarHBondContact O-N 2.76Å; G41-K327 PolarHBondContact O-NZ 2.83Å
42G98.6Very high96.7Very high0 Ų042 Ų420%023%0.227CC..EExtended strand (participates in β ladder)trans-175.1173.8177.800000115.6F22 M23 A24 F74F22-G42 PolarHBondContact O-N 2.96Å; M23-G42 CarbonylContact C-O 3.02Å; M23-G42 WeakPolarHBondContact CA-O 3.33Å; A24-G42 PolarHBondContact N-O 2.97Å; G42-F74 CarbonylContact C-O 3.55Å; G42-F74 WeakPolarHBondContact CA-O 3.38Å
43Y98.6Very high96.6Very high0 Ų042.4 Ų42.40%022%0.224CC..EExtended strand (participates in β ladder)trans-120.5136.4168.3-77.4-29.1000112A24 V26 P27 Q31 I35 L40 Y65 M73 F74 I75 G76A24-Y43 HydrophobicContact CB-CD1 3.73Å; A24-Y43 HydrophobicContact CB-CE1 3.69Å; A24-Y43 CarbonylContact O-C 3.51Å; A24-Y43 VanDerWaalsContact O-CA 3.25Å; A24-Y43 WeakPolarHBondContact O-CA 3.41Å; V26-Y43 HydrophobicContact CG1-CE2 4.5Å; V26-Y43 HydrophobicContact CG2-CD1 4.49Å; V26-Y43 HydrophobicContact CG2-CD2 3.92Å; V26-Y43 HydrophobicContact CG2-CG 3.85Å; P27-Y43 VanDerWaalsContact CD-CZ 3.44Å; P27-Y43 VanDerWaalsContact CD-OH 3.27Å; P27-Y43 WeakPolarHBondContact CD-OH 3.4Å; Q31-Y43 HydrophobicContact CB-CE2 4.31Å; Q31-Y43 PolarHBondContact O-OH 3.2Å; I35-Y43 HydrophobicContact CD1-CD2 4.46Å; I35-Y43 HydrophobicContact CD1-CE2 3.67Å; I35-Y43 HydrophobicContact CG1-CE2 3.83Å; L40-Y43 HydrophobicContact CD1-CD1 4.45Å; L40-Y43 HydrophobicContact CD1-CE1 3.5Å; Y43-Y65 HydrophobicContact CD2-CD1 4.46Å; Y43-Y65 AromaticContact CD2-CD2 3.75Å; Y43-Y65 HydrophobicContact CD2-CD2 3.75Å; Y43-Y65 HydrophobicContact CD2-CE2 4.05Å; Y43-Y65 AromaticContact CD2-CG 3.98Å; Y43-Y65 HydrophobicContact CD2-CG 3.98Å; Y43-Y65 HydrophobicContact CE2-CD1 4.23Å; Y43-Y65 HydrophobicContact CE2-CD2 4.33Å; Y43-Y65 HydrophobicContact CE2-CE1 4.48Å; Y43-Y65 HydrophobicContact CE2-CG 4.17Å; Y43-M73 HydrophobicContact CD2-CE 4.12Å; Y43-M73 HydrophobicContact CE2-CE 4.4Å; Y43-F74 PolarHBondContact N-O 3.16Å; Y43-I75 WeakPolarHBondContact O-CA 3.31Å; Y43-G76 PolarHBondContact O-N 3.04Å
44L98.4Very high96.5Very high5 Ų542.2 Ų42.23%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-98.4123.4165.6-17959.3000108.9M23 A24 F46 G76 M132 L291M23-L44 HydrophobicContact CG-CB 4.07Å; M23-L44 HydrophobicContact SD-CB 4.14Å; A24-L44 PolarHBondContact O-N 3.19Å; L44-F46 HydrophobicContact CB-CE2 4.17Å; L44-F46 HydrophobicContact CD2-CE2 3.6Å; L44-F46 HydrophobicContact CD2-CZ 3.98Å; L44-F46 HydrophobicContact CG-CD2 4.2Å; L44-F46 HydrophobicContact CG-CE2 3.64Å; L44-F46 HydrophobicContact CG-CZ 4.44Å; L44-G76 VanDerWaalsContact CD1-C 3.48Å; L44-M132 HydrophobicContact CD1-CE 3.88Å; L44-M132 HydrophobicContact CD1-CG 3.62Å; L44-M132 HydrophobicContact CD2-CG 4.43Å; L44-L291 HydrophobicContact CB-CD1 3.93Å; L44-L291 HydrophobicContact CD2-CD1 3.69Å; L44-L291 HydrophobicContact CD2-CD2 3.52Å; L44-L291 HydrophobicContact CD2-CG 4.27Å; L44-L291 HydrophobicContact CG-CD1 4.45Å
45L97.9Very high96.3Very high6 Ų644.7 Ų44.73%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-81.1129.5179.9-57.4171000110.4V26 D49 M50 I62 I75 G76 I128V26-L45 HydrophobicContact CG2-CD2 3.77Å; L45-D49 HydrophobicContact CD2-CB 4.26Å; L45-M50 HydrophobicContact CB-CE 3.61Å; L45-M50 HydrophobicContact CD1-CE 3.91Å; L45-M50 HydrophobicContact CG-CE 4.4Å; L45-I62 HydrophobicContact CD1-CD1 3.93Å; L45-I62 HydrophobicContact CD1-CG1 4.38Å; L45-I75 HydrophobicContact CD1-CG2 3.89Å; L45-I75 HydrophobicContact CG-CG2 4.21Å; L45-G76 WeakPolarHBondContact CB-O 3.5Å; L45-G76 WeakPolarHBondContact CG-O 3.32Å; L45-G76 PolarHBondContact N-O 2.83Å; L45-I128 HydrophobicContact CD1-CD1 3.89Å; L45-I128 HydrophobicContact CD1-CG1 4.04Å
46F95.1Very high96.3Very high45 Ų4548.3 Ų48.320%0.19727%0.266CS..  trans-111.6176.5174.6-81.7-104.3000111.6R25 L44 R48 D49 D263R25-F46 HydrophobicContact CB-CD2 4.44Å; R25-F46 HydrophobicContact CB-CE2 4.43Å; R25-F46 HydrophobicContact CG-CD2 4.13Å; R25-F46 HydrophobicContact CG-CE2 3.69Å; R25-F46 HydrophobicContact CG-CZ 4.27Å; L44-F46 HydrophobicContact CB-CE2 4.17Å; L44-F46 HydrophobicContact CD2-CE2 3.6Å; L44-F46 HydrophobicContact CD2-CZ 3.98Å; L44-F46 HydrophobicContact CG-CD2 4.2Å; L44-F46 HydrophobicContact CG-CE2 3.64Å; L44-F46 HydrophobicContact CG-CZ 4.44Å; F46-R48 VanDerWaalsContact C-N 3.27Å; F46-R48 PolarHBondContact O-N 3.37Å; F46-D49 PolarHBondContact N-OD2 2.89Å; F46-D49 WeakPolarHBondContact O-CB 3.44Å; F46-D49 PolarHBondContact O-N 3.28Å; F46-D263 VanDerWaalsContact CZ-OD2 3.31Å; F46-D263 WeakPolarHBondContact CZ-OD2 3.48Å
47D93Very high96.3Very high47 Ų4748.4 Ų48.425%0.25127%0.267SS..Hα-helixtrans-53.7-45.5-177.1-77.6-24.4000111.2D49 M50 E51 R86 R89 N90D47-D49 PolarHBondContact O-N 3.27Å; D47-D49 VanDerWaalsContact O-N 3.15Å; D47-M50 CarbonylContact O-C 3.56Å; D47-M50 PolarHBondContact O-N 2.54Å; D47-E51 PolarHBondContact O-N 3.05Å; D47-R86 WeakPolarHBondContact OD1-CA 3.38Å; D47-R86 WeakPolarHBondContact OD1-CD 3.33Å; D47-R89 IonicContact OD2-NH1 3.58Å; D47-R89 PolarHBondContact OD2-NH1 2.96Å; D47-N90 PolarHBondContact O-ND2 2.96Å; D47-N90 PolarHBondContact OD1-ND2 3.49Å
48R93.5Very high96.3Very high103 Ų10343.3 Ų43.339%0.38924%0.24SC..Hα-helixtrans-55.3-33.2177.2-176.9-171.963.6-148-7113.3V26 E28 F46 M50V26-R48 PolarHBondContact O-NH2 3.25Å; E28-R48 IonicContact OE1-CZ 2.91Å; E28-R48 IonicContact OE1-NE 3.43Å; E28-R48 IonicContact OE1-NH1 3.97Å; E28-R48 PolarHBondContact OE1-NH1 3Å; F46-R48 VanDerWaalsContact C-N 3.27Å; F46-R48 PolarHBondContact O-N 3.37Å; R48-M50 PolarHBondContact O-N 2.98Å
49D94.7Very high96.2Very high14 Ų1445.3 Ų45.38%0.07525%0.25CC..Hα-helixtrans-77.8-15-175.6-51.9-44.1000112.1V26 L45 F46 D47 K53V26-D49 WeakPolarHBondContact CB-OD1 3.11Å; L45-D49 HydrophobicContact CD2-CB 4.26Å; F46-D49 PolarHBondContact N-OD2 2.89Å; F46-D49 WeakPolarHBondContact O-CB 3.44Å; F46-D49 PolarHBondContact O-N 3.28Å; D47-D49 PolarHBondContact O-N 3.27Å; D47-D49 VanDerWaalsContact O-N 3.15Å; D49-K53 WeakPolarHBondContact O-CD 3.25Å; D49-K53 WeakPolarHBondContact O-CE 3.3Å; D49-K53 PolarHBondContact O-NZ 3.35Å
50M93.3Very high96.2Very high1 Ų149.7 Ų49.71%0.00527%0.27CS..Hα-helixtrans-112.5-14.8179.8-56.1-174-173.900112.8L45 D47 R48 G52 K53 V58 R86 L87 N90 I92L45-M50 HydrophobicContact CB-CE 3.61Å; L45-M50 HydrophobicContact CD1-CE 3.91Å; L45-M50 HydrophobicContact CG-CE 4.4Å; D47-M50 CarbonylContact O-C 3.56Å; D47-M50 PolarHBondContact O-N 2.54Å; R48-M50 PolarHBondContact O-N 2.98Å; M50-G52 PolarHBondContact O-N 3.39Å; M50-K53 WeakPolarHBondContact O-CB 3.39Å; M50-K53 PolarHBondContact O-N 2.91Å; M50-K53 VanDerWaalsContact O-N 3.13Å; M50-V58 HydrophobicContact CG-CG2 4.45Å; M50-R86 HydrophobicContact CE-CB 3.74Å; M50-R86 VanDerWaalsContact SD-C 3.54Å; M50-R86 HydrophobicContact SD-CB 3.55Å; M50-R86 VanDerWaalsContact SD-CB 3.55Å; M50-L87 HydrophobicContact CE-CD2 3.82Å; M50-L87 HydrophobicContact CE-CG 4.06Å; M50-L87 HydrophobicContact SD-CB 4.47Å; M50-L87 HydrophobicContact SD-CD2 3.53Å; M50-L87 VanDerWaalsContact SD-CD2 3.53Å; M50-L87 HydrophobicContact SD-CG 3.91Å; M50-N90 HydrophobicContact CB-CB 3.79Å; M50-I92 HydrophobicContact CB-CG1 4.22Å
51E93.8Very high96.2Very high138 Ų13850.7 Ų50.765%0.64528%0.278SS*.THydrogen-bonded Turntrans-57.3127.3-177.1-172.2174.4-167.800112D47 K53 N90D47-E51 PolarHBondContact O-N 3.05Å; E51-K53 PolarHBondContact O-N 3.42Å; E51-N90 VanDerWaalsContact CA-OD1 3.31Å; E51-N90 WeakPolarHBondContact CA-OD1 3.35Å
52G93.4Very high96.1Very high82 Ų8250.9 Ų50.985%0.84528%0.279SS*.THydrogen-bonded Turntrans70.54.6178.900000115.5M50M50-G52 PolarHBondContact O-N 3.39Å
53K94.7Very high96.1Very high69 Ų6953.7 Ų53.730%0.330%0.297SS..  trans-99.6160.3-178.5-64179.5-168.3170.90112D49 M50 E51 E57 V58 I92D49-K53 WeakPolarHBondContact O-CD 3.25Å; D49-K53 WeakPolarHBondContact O-CE 3.3Å; D49-K53 PolarHBondContact O-NZ 3.35Å; M50-K53 WeakPolarHBondContact O-CB 3.39Å; M50-K53 PolarHBondContact O-N 2.91Å; M50-K53 VanDerWaalsContact O-N 3.13Å; E51-K53 PolarHBondContact O-N 3.42Å; K53-E57 WeakPolarHBondContact CA-OE2 3.24Å; K53-E57 HydrophobicContact CB-CB 3.99Å; K53-E57 HydrophobicContact CD-CB 4.37Å; K53-E57 HydrophobicContact CG-CB 4.2Å; K53-V58 HydrophobicContact CB-CG2 4.08Å; K53-V58 HydrophobicContact CD-CG2 4.39Å; K53-I92 WeakPolarHBondContact O-CD1 3.33Å
54G94.9Very high96.1Very high29 Ų2955.6 Ų55.630%0.29931%0.31SS..  trans-102.1175.8161.700000112.9A56 E57 V58G54-A56 VanDerWaalsContact C-N 3.25Å; G54-A56 PolarHBondContact O-N 2.77Å; G54-E57 PolarHBondContact N-OE2 3.32Å; G54-E57 PolarHBondContact O-N 2.98Å; G54-E57 VanDerWaalsContact O-N 3.13Å; G54-V58 PolarHBondContact O-N 3.06Å; G54-V58 VanDerWaalsContact O-N 3.1Å
55Q95.6Very high96Very high75 Ų7555.8 Ų55.835%0.3531%0.31SS..Hα-helixtrans-55-39.1178.3-70.1-173.53.900113.4E57 V58 K59 I92 L126Q55-E57 PolarHBondContact O-N 3.27Å; Q55-V58 PolarHBondContact O-N 2.98Å; Q55-K59 VanDerWaalsContact O-CB 3.25Å; Q55-K59 WeakPolarHBondContact O-CB 3.29Å; Q55-K59 PolarHBondContact O-N 2.8Å; Q55-I92 HydrophobicContact CB-CG2 4.48Å; Q55-I92 HydrophobicContact CG-CG2 3.57Å; Q55-I92 WeakPolarHBondContact CG-O 3.33Å; Q55-I92 PolarHBondContact NE2-O 3.44Å; Q55-L126 HydrophobicContact CB-CD2 3.78Å; Q55-L126 HydrophobicContact CG-CD2 4.08Å; Q55-L126 WeakPolarHBondContact O-CD2 3.45Å
56A97.2Very high96Very high78 Ų7857.6 Ų57.665%0.64532%0.319SS*.Hα-helixtrans-63.6-40.3179.800000112.3G54 Q60G54-A56 VanDerWaalsContact C-N 3.25Å; G54-A56 PolarHBondContact O-N 2.77Å; A56-Q60 VanDerWaalsContact O-CB 3.32Å; A56-Q60 WeakPolarHBondContact O-CB 2.95Å; A56-Q60 PolarHBondContact O-N 3.28Å
57E97.4Very high96.2Very high102 Ų10263 Ų6348%0.47735%0.345SS..Hα-helixtrans-72.2-41.2179.7-68.5169.2109.200111.4K53 G54 Q55 Q60 A61K53-E57 WeakPolarHBondContact CA-OE2 3.24Å; K53-E57 HydrophobicContact CB-CB 3.99Å; K53-E57 HydrophobicContact CD-CB 4.37Å; K53-E57 HydrophobicContact CG-CB 4.2Å; G54-E57 PolarHBondContact N-OE2 3.32Å; G54-E57 PolarHBondContact O-N 2.98Å; G54-E57 VanDerWaalsContact O-N 3.13Å; Q55-E57 PolarHBondContact O-N 3.27Å; E57-Q60 PolarHBondContact O-N 3.46Å; E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 3.25Å
58V97.4Very high96.4Very high4 Ų461.4 Ų61.42%0.02434%0.338CS..Hα-helixtrans-60.6-47.3173.7174.30000110.3M50 K53 G54 Q55 Q60 A61 I62 I92 L126M50-V58 HydrophobicContact CG-CG2 4.45Å; K53-V58 HydrophobicContact CB-CG2 4.08Å; K53-V58 HydrophobicContact CD-CG2 4.39Å; G54-V58 PolarHBondContact O-N 3.06Å; G54-V58 VanDerWaalsContact O-N 3.1Å; Q55-V58 PolarHBondContact O-N 2.98Å; V58-Q60 VanDerWaalsContact C-N 3.34Å; V58-Q60 PolarHBondContact O-N 3.41Å; V58-A61 PolarHBondContact O-N 3.37Å; V58-I62 HydrophobicContact CG1-CD1 3.83Å; V58-I62 VanDerWaalsContact O-CG1 3.3Å; V58-I62 WeakPolarHBondContact O-CG1 3.46Å; V58-I62 PolarHBondContact O-N 2.92Å; V58-I92 HydrophobicContact CG2-CD1 4.1Å; V58-L126 HydrophobicContact CB-CD2 4.28Å; V58-L126 HydrophobicContact CG1-CD1 4.37Å; V58-L126 HydrophobicContact CG1-CD2 4.24Å
59K98.1Very high96.6Very high102 Ų10257.4 Ų57.444%0.44333%0.326SS..Hα-helixtrans-60.3-42.1176.4-178.4179-173.1140.60112.5Q55 I62 T63 E125 L126Q55-K59 VanDerWaalsContact O-CB 3.25Å; Q55-K59 WeakPolarHBondContact O-CB 3.29Å; Q55-K59 PolarHBondContact O-N 2.8Å; K59-I62 PolarHBondContact O-N 3.14Å; K59-T63 WeakPolarHBondContact O-CB 3.49Å; K59-T63 PolarHBondContact O-N 3.44Å; K59-T63 PolarHBondContact O-OG1 2.94Å; K59-E125 WeakPolarHBondContact CD-O 3.39Å; K59-E125 WeakPolarHBondContact CE-O 3.34Å; K59-E125 PolarHBondContact NZ-O 3.21Å; K59-L126 HydrophobicContact CB-CD2 4.42Å
60Q97.9Very high96.7Very high143 Ų14363.7 Ų63.767%0.66835%0.352SS*.Hα-helixtrans-65.3-43.2178.9-176.3176.50.600111.4A56 E57 V58 T63 S64A56-Q60 VanDerWaalsContact O-CB 3.32Å; A56-Q60 WeakPolarHBondContact O-CB 2.95Å; A56-Q60 PolarHBondContact O-N 3.28Å; E57-Q60 PolarHBondContact O-N 3.46Å; V58-Q60 VanDerWaalsContact C-N 3.34Å; V58-Q60 PolarHBondContact O-N 3.41Å; Q60-T63 PolarHBondContact O-N 2.86Å; Q60-S64 PolarHBondContact O-N 3.07Å
61A97.3Very high96.9Very high21 Ų2164.3 Ų64.317%0.17436%0.356CS..Hα-helixtrans-59.2-49.8175.100000111E57 V58 T63 S64 Y65E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 3.25Å; V58-A61 PolarHBondContact O-N 3.37Å; A61-T63 VanDerWaalsContact C-N 3.31Å; A61-T63 PolarHBondContact O-N 3.01Å; A61-S64 WeakPolarHBondContact O-CB 3.39Å; A61-S64 PolarHBondContact O-N 2.78Å; A61-S64 VanDerWaalsContact O-N 3.1Å; A61-S64 PolarHBondContact O-OG 3.06Å; A61-Y65 HydrophobicContact CB-CE2 4.27Å; A61-Y65 VanDerWaalsContact O-CD1 3.29Å; A61-Y65 WeakPolarHBondContact O-CD1 3.35Å; A61-Y65 WeakPolarHBondContact O-CD2 3.48Å; A61-Y65 PolarHBondContact O-N 3.22Å
62I98Very high97.1Very high4 Ų459.6 Ų59.62%0.02134%0.338CS..Hα-helixtrans-57.1-44176.8-70.3168.7000111.8L45 V58 K59 S64 Y65 Q66 I75 L126 G127 I128L45-I62 HydrophobicContact CD1-CD1 3.93Å; L45-I62 HydrophobicContact CD1-CG1 4.38Å; V58-I62 HydrophobicContact CG1-CD1 3.83Å; V58-I62 VanDerWaalsContact O-CG1 3.3Å; V58-I62 WeakPolarHBondContact O-CG1 3.46Å; V58-I62 PolarHBondContact O-N 2.92Å; K59-I62 PolarHBondContact O-N 3.14Å; I62-S64 VanDerWaalsContact C-N 3.34Å; I62-S64 PolarHBondContact O-N 3.3Å; I62-Y65 WeakPolarHBondContact O-CB 3.34Å; I62-Y65 PolarHBondContact O-N 3.49Å; I62-Q66 PolarHBondContact O-N 3.1Å; I62-I75 HydrophobicContact CD1-CG2 4.03Å; I62-I75 HydrophobicContact CG1-CG2 3.98Å; I62-I75 HydrophobicContact CG2-CG1 4.08Å; I62-I75 HydrophobicContact CG2-CG2 4.32Å; I62-L126 HydrophobicContact CD1-CB 4.35Å; I62-L126 VanDerWaalsContact CD1-O 3.29Å; I62-L126 WeakPolarHBondContact CD1-O 3.38Å; I62-G127 WeakPolarHBondContact CG2-O 3.46Å; I62-I128 HydrophobicContact CD1-CG1 3.74Å
63T98Very high97.3Very high59 Ų5955.7 Ų55.736%0.36230%0.298SS..Hα-helixtrans-59.8-45.8176.9-57.30000110.7K59 Q60 A61 Y65 Q66 E67K59-T63 WeakPolarHBondContact O-CB 3.49Å; K59-T63 PolarHBondContact O-N 3.44Å; K59-T63 PolarHBondContact O-OG1 2.94Å; Q60-T63 PolarHBondContact O-N 2.86Å; A61-T63 VanDerWaalsContact C-N 3.31Å; A61-T63 PolarHBondContact O-N 3.01Å; T63-Y65 VanDerWaalsContact C-N 3.26Å; T63-Y65 PolarHBondContact O-N 2.97Å; T63-Q66 PolarHBondContact O-N 2.93Å; T63-E67 HydrophobicContact CG2-CG 4.4Å; T63-E67 WeakPolarHBondContact O-CG 3.3Å; T63-E67 PolarHBondContact O-N 3.17Å
64S97.9Very high97.5Very high40 Ų4052.4 Ų52.428%0.2828%0.283SS..Hα-helixtrans-61.7-34.3177.977.20000112.9Q60 A61 I62 A68Q60-S64 PolarHBondContact O-N 3.07Å; A61-S64 WeakPolarHBondContact O-CB 3.39Å; A61-S64 PolarHBondContact O-N 2.78Å; A61-S64 VanDerWaalsContact O-N 3.1Å; A61-S64 PolarHBondContact O-OG 3.06Å; I62-S64 VanDerWaalsContact C-N 3.34Å; I62-S64 PolarHBondContact O-N 3.3Å; S64-A68 WeakPolarHBondContact O-CB 3.49Å; S64-A68 PolarHBondContact O-N 3.31Å; S64-A68 VanDerWaalsContact O-N 3.1Å
65Y98.1Very high97.7Very high10 Ų1051 Ų514%0.03927%0.269CS..Hα-helixtrans-67.5-44.5176.1-56-23.7000111.3V26 Q31 I35 Y43 A61 I62 T63 A68 S69 I75V26-Y65 HydrophobicContact CG1-CE2 4.39Å; V26-Y65 WeakPolarHBondContact CG1-OH 3.34Å; V26-Y65 HydrophobicContact CG2-CE2 4.26Å; Q31-Y65 HydrophobicContact CB-CD1 4.27Å; Q31-Y65 HydrophobicContact CB-CE1 3.7Å; Q31-Y65 HydrophobicContact CG-CE1 3.97Å; I35-Y65 HydrophobicContact CD1-CD1 4.16Å; I35-Y65 HydrophobicContact CD1-CG 4.29Å; Y43-Y65 HydrophobicContact CD2-CD1 4.46Å; Y43-Y65 AromaticContact CD2-CD2 3.75Å; Y43-Y65 HydrophobicContact CD2-CD2 3.75Å; Y43-Y65 HydrophobicContact CD2-CE2 4.05Å; Y43-Y65 AromaticContact CD2-CG 3.98Å; Y43-Y65 HydrophobicContact CD2-CG 3.98Å; Y43-Y65 HydrophobicContact CE2-CD1 4.23Å; Y43-Y65 HydrophobicContact CE2-CD2 4.33Å; Y43-Y65 HydrophobicContact CE2-CE1 4.48Å; Y43-Y65 HydrophobicContact CE2-CG 4.17Å; A61-Y65 HydrophobicContact CB-CE2 4.27Å; A61-Y65 VanDerWaalsContact O-CD1 3.29Å; A61-Y65 WeakPolarHBondContact O-CD1 3.35Å; A61-Y65 WeakPolarHBondContact O-CD2 3.48Å; A61-Y65 PolarHBondContact O-N 3.22Å; I62-Y65 WeakPolarHBondContact O-CB 3.34Å; I62-Y65 PolarHBondContact O-N 3.49Å; T63-Y65 VanDerWaalsContact C-N 3.26Å; T63-Y65 PolarHBondContact O-N 2.97Å; Y65-A68 PolarHBondContact O-N 3.4Å; Y65-S69 PolarHBondContact O-N 2.94Å; Y65-I75 HydrophobicContact CD2-CD1 4.32Å
66Q97.8Very high97.8Very high43 Ų4347.5 Ų47.520%0.20125%0.252CS..Hα-helixtrans-64.6-41177-68.3-69.63.300112I62 T63 A68 S69 M73I62-Q66 PolarHBondContact O-N 3.1Å; T63-Q66 PolarHBondContact O-N 2.93Å; Q66-A68 VanDerWaalsContact C-N 3.29Å; Q66-A68 PolarHBondContact O-N 3.04Å; Q66-S69 PolarHBondContact O-N 3.49Å; Q66-M73 PolarHBondContact NE2-O 2.89Å
67E97.7Very high97.8Very high159 Ų15943.8 Ų43.874%0.74322%0.222SC*.Hα-helixtrans-65.2-31.2177.3-72.9176.3169.700113T63 S69T63-E67 HydrophobicContact CG2-CG 4.4Å; T63-E67 WeakPolarHBondContact O-CG 3.3Å; T63-E67 PolarHBondContact O-N 3.17Å; E67-S69 VanDerWaalsContact C-N 3.33Å
68A97.6Very high97.7Very high14 Ų1439.8 Ų39.812%0.11620%0.204CC..Hα-helixtrans-73.5-24.3177.400000113.3V32 I35 Q36 S64 Y65 Q66V32-A68 HydrophobicContact CB-CB 4.34Å; V32-A68 HydrophobicContact CG1-CB 3.8Å; V32-A68 HydrophobicContact CG2-CB 4.3Å; I35-A68 HydrophobicContact CB-CB 4.33Å; I35-A68 HydrophobicContact CD1-CB 4.08Å; I35-A68 HydrophobicContact CG2-CB 4.06Å; Q36-A68 WeakPolarHBondContact CG-O 3.27Å; S64-A68 WeakPolarHBondContact O-CB 3.49Å; S64-A68 PolarHBondContact O-N 3.31Å; S64-A68 VanDerWaalsContact O-N 3.1Å; Y65-A68 PolarHBondContact O-N 3.4Å; Q66-A68 VanDerWaalsContact C-N 3.29Å; Q66-A68 PolarHBondContact O-N 3.04Å
69S97.9Very high97.7Very high19 Ų1939.6 Ų39.613%0.13320%0.203CC..  trans-92.3134.3-172.9-165.90000112.8Y65 Q66 E67 T71Y65-S69 PolarHBondContact O-N 2.94Å; Q66-S69 PolarHBondContact O-N 3.49Å; E67-S69 VanDerWaalsContact C-N 3.33Å; S69-T71 WeakPolarHBondContact CB-O 3.31Å; S69-T71 PolarHBondContact OG-O 2.83Å
70K96.4Very high97.7Very high145 Ų14534.8 Ų34.863%0.6318%0.182SC*.SBendtrans-69.9-39.5173.4-176.8-175.1170-167.80112E16E16-K70 VanDerWaalsContact CD-NZ 3.34Å; E16-K70 WeakPolarHBondContact OE1-CD 3.2Å; E16-K70 WeakPolarHBondContact OE1-CE 3.33Å; E16-K70 IonicContact OE1-NZ 3.67Å; E16-K70 PolarHBondContact OE1-NZ 2.95Å; E16-K70 IonicContact OE2-NZ 2.63Å; E16-K70 PolarHBondContact OE2-NZ 3.02Å
71T97.3Very high97.6Very high14 Ų1428 Ų289%0.08615%0.15CC..SBendtrans-107.3122.3174.1-59.80000107.9S69 M73 L324 I333S69-T71 WeakPolarHBondContact CB-O 3.31Å; S69-T71 PolarHBondContact OG-O 2.83Å; T71-M73 PolarHBondContact O-N 2.85Å; T71-L324 HydrophobicContact CG2-CD2 4.18Å; T71-I333 HydrophobicContact CG2-CD1 4.13Å
72P97.8Very high97.6Very high40 Ų4028.7 Ų28.726%0.2616%0.159SC..PPolyproline II helixtrans-46.6129.6-178.2-32.337.1000112.3K327 L332 I333P72-K327 WeakPolarHBondContact O-CD 3.48Å; P72-K327 VanDerWaalsContact O-CE 3.3Å; P72-K327 WeakPolarHBondContact O-CE 3.32Å; P72-K327 PolarHBondContact O-NZ 3.26Å; P72-L332 HydrophobicContact CB-CB 3.96Å; P72-L332 HydrophobicContact CB-CD2 4.44Å; P72-L332 WeakPolarHBondContact CG-O 3.42Å; P72-I333 HydrophobicContact CG-CG1 4.17Å
73M98.2Very high97.4Very high0 Ų031.6 Ų31.60%018%0.177CC..PPolyproline II helixtrans-84.6152.2-174.9-75.7-158-54.200111.6I35 L40 G41 Y43 Q66 T71 I75I35-M73 HydrophobicContact CD1-CE 3.43Å; I35-M73 VanDerWaalsContact CD1-CE 3.43Å; I35-M73 HydrophobicContact CD1-SD 4.23Å; I35-M73 HydrophobicContact CG1-CE 3.73Å; I35-M73 HydrophobicContact CG1-SD 3.84Å; I35-M73 HydrophobicContact CG2-CE 4.33Å; I35-M73 HydrophobicContact CG2-SD 4.02Å; L40-M73 HydrophobicContact CB-SD 4.27Å; L40-M73 WeakPolarHBondContact O-CG 3.37Å; G41-M73 WeakPolarHBondContact O-CA 3.4Å; Y43-M73 HydrophobicContact CD2-CE 4.12Å; Y43-M73 HydrophobicContact CE2-CE 4.4Å; Q66-M73 PolarHBondContact NE2-O 2.89Å; T71-M73 PolarHBondContact O-N 2.85Å; M73-I75 HydrophobicContact CB-CD1 4.47Å; M73-I75 HydrophobicContact CE-CD1 4.3Å
74F98.6Very high97.3Very high0 Ų029.4 Ų29.40%016%0.164CC..EExtended strand (participates in β ladder)trans-72.1133.7158.5-67.1-62.4000109.6G41 G42 Y43 L130 M289 L323 W326 K327 L330 L332G41-F74 PolarHBondContact O-N 2.76Å; G42-F74 CarbonylContact C-O 3.55Å; G42-F74 WeakPolarHBondContact CA-O 3.38Å; Y43-F74 PolarHBondContact N-O 3.16Å; F74-L130 HydrophobicContact CB-CD1 3.54Å; F74-L130 HydrophobicContact CB-CG 4.04Å; F74-L130 HydrophobicContact CD1-CD1 3.68Å; F74-L130 HydrophobicContact CD1-CD2 3.77Å; F74-L130 HydrophobicContact CD1-CG 3.84Å; F74-L130 HydrophobicContact CD2-CD1 4.4Å; F74-L130 HydrophobicContact CE1-CD1 4.43Å; F74-L130 HydrophobicContact CE1-CD2 4.16Å; F74-L130 HydrophobicContact CG-CD1 3.64Å; F74-L130 HydrophobicContact CG-CG 4.21Å; F74-M289 HydrophobicContact CB-CE 4.3Å; F74-M289 HydrophobicContact CD2-CE 3.69Å; F74-M289 HydrophobicContact CD2-SD 4.04Å; F74-M289 HydrophobicContact CE2-CE 4.36Å; F74-M289 HydrophobicContact CE2-SD 4.14Å; F74-M289 HydrophobicContact CG-CE 4.3Å; F74-L323 HydrophobicContact CE2-CB 4.43Å; F74-L323 HydrophobicContact CE2-CD2 3.86Å; F74-W326 HydrophobicContact CE1-CB 4.49Å; F74-W326 AromaticContact CE1-CD2 3.81Å; F74-W326 HydrophobicContact CE1-CD2 3.81Å; F74-W326 AromaticContact CE1-CE3 3.78Å; F74-W326 HydrophobicContact CE1-CE3 3.78Å; F74-W326 HydrophobicContact CE1-CG 4.09Å; F74-W326 HydrophobicContact CE1-CZ3 4.44Å; F74-W326 HydrophobicContact CE2-CE3 4.04Å; F74-W326 HydrophobicContact CZ-CB 4.09Å; F74-W326 AromaticContact CZ-CD2 3.78Å; F74-W326 HydrophobicContact CZ-CD2 3.78Å; F74-W326 AromaticContact CZ-CE3 3.42Å; F74-W326 HydrophobicContact CZ-CE3 3.42Å; F74-W326 VanDerWaalsContact CZ-CE3 3.42Å; F74-W326 HydrophobicContact CZ-CG 4.05Å; F74-W326 HydrophobicContact CZ-CZ3 4.22Å; F74-K327 HydrophobicContact CD1-CG 4.19Å; F74-K327 VanDerWaalsContact CD2-CE 3.43Å; F74-K327 HydrophobicContact CE1-CG 3.49Å; F74-K327 VanDerWaalsContact CE1-CG 3.49Å; F74-K327 HydrophobicContact CE2-CD 4.21Å; F74-K327 HydrophobicContact CE2-CG 3.9Å; F74-K327 HydrophobicContact CZ-CB 4.48Å; F74-K327 HydrophobicContact CZ-CD 4.15Å; F74-K327 HydrophobicContact CZ-CG 3.33Å; F74-L330 HydrophobicContact CD1-CD1 4.18Å; F74-L330 HydrophobicContact CE1-CD1 3.87Å; F74-L332 HydrophobicContact CD1-CD1 4.03Å; F74-L332 HydrophobicContact CE1-CD1 4.36Å
75I98.7Very high97.2Very high0 Ų027.5 Ų27.50%015%0.15CC..EExtended strand (participates in β ladder)trans-116.4116.7167.3-55.4-66.8000107Y43 L45 I62 Y65 M73 I128 Q129 L130Y43-I75 WeakPolarHBondContact O-CA 3.31Å; L45-I75 HydrophobicContact CD1-CG2 3.89Å; L45-I75 HydrophobicContact CG-CG2 4.21Å; I62-I75 HydrophobicContact CD1-CG2 4.03Å; I62-I75 HydrophobicContact CG1-CG2 3.98Å; I62-I75 HydrophobicContact CG2-CG1 4.08Å; I62-I75 HydrophobicContact CG2-CG2 4.32Å; Y65-I75 HydrophobicContact CD2-CD1 4.32Å; M73-I75 HydrophobicContact CB-CD1 4.47Å; M73-I75 HydrophobicContact CE-CD1 4.3Å; I75-I128 HydrophobicContact CG2-CB 4.46Å; I75-I128 HydrophobicContact CG2-CG1 4.2Å; I75-I128 HydrophobicContact CG2-CG2 4.4Å; I75-I128 WeakPolarHBondContact O-CG2 3.46Å; I75-Q129 PolarHBondContact O-N 3.41Å; I75-L130 PolarHBondContact O-N 3.43Å
76G98.5Very high97.1Very high0 Ų028.4 Ų28.40%015%0.154CC..EExtended strand (participates in β ladder)trans-111.3156.4-17800000113.4Y43 L44 L45 L130Y43-G76 PolarHBondContact O-N 3.04Å; L44-G76 VanDerWaalsContact CD1-C 3.48Å; L45-G76 WeakPolarHBondContact CB-O 3.5Å; L45-G76 WeakPolarHBondContact CG-O 3.32Å; L45-G76 PolarHBondContact N-O 2.83Å; G76-L130 VanDerWaalsContact CA-O 3.23Å; G76-L130 WeakPolarHBondContact CA-O 3.37Å
77S98Very high97Very high0 Ų026.3 Ų26.30%014%0.144CC..EExtended strand (participates in β ladder)trans-142.9145.1164.5-167.30000110.2E79 L130 M132S77-E79 PolarHBondContact OG-OE1 2.88Å; S77-L130 PolarHBondContact N-O 2.91Å; S77-M132 PolarHBondContact O-N 2.74Å
78D95.5Very high97Very high19 Ų1919.6 Ų19.610%0.10211%0.114CC..  trans-86.8110.1171.9-161.3-4.2000110.9V84 R86 M132 K179D78-V84 HydrophobicContact CB-CG1 4.02Å; D78-V84 VanDerWaalsContact OD1-CG1 3.26Å; D78-V84 WeakPolarHBondContact OD1-CG1 3.43Å; D78-V84 VanDerWaalsContact OD2-CG1 3.25Å; D78-V84 WeakPolarHBondContact OD2-CG1 3.31Å; D78-R86 IonicContact OD2-NH2 2.63Å; D78-M132 HydrophobicContact CB-CB 4.16Å; D78-K179 IonicContact OD1-NZ 3.33Å; D78-K179 PolarHBondContact OD1-NZ 2.97Å; D78-K179 IonicContact OD2-NZ 3.38Å; D78-K179 PolarHBondContact OD2-NZ 2.74Å
79E96.9Very high96.8Very high0 Ų025.3 Ų25.30%013%0.133CC..  trans-141.850.2-168.8-64.7-64.9161.700111.4S77 G81 S85 R86 L87 K119 F123 F133S77-E79 PolarHBondContact OG-OE1 2.88Å; E79-G81 PolarHBondContact O-N 3.21Å; E79-S85 WeakPolarHBondContact OE2-CA 3.31Å; E79-S85 WeakPolarHBondContact OE2-CB 3.08Å; E79-S85 PolarHBondContact OE2-OG 3.43Å; E79-R86 WeakPolarHBondContact OE1-CA 3.35Å; E79-R86 PolarHBondContact OE1-N 3.29Å; E79-L87 HydrophobicContact CG-CD1 4.25Å; E79-L87 WeakPolarHBondContact OE1-CB 3.47Å; E79-L87 VanDerWaalsContact OE1-CG 3.27Å; E79-L87 WeakPolarHBondContact OE1-CG 3.37Å; E79-L87 PolarHBondContact OE1-N 3.38Å; E79-K119 WeakPolarHBondContact O-CE 3.23Å; E79-K119 PolarHBondContact O-NZ 3.04Å; E79-F123 HydrophobicContact CB-CE1 4.11Å; E79-F123 HydrophobicContact CB-CZ 3.78Å; E79-F123 HydrophobicContact CG-CE1 3.68Å; E79-F123 HydrophobicContact CG-CZ 3.44Å; E79-F123 VanDerWaalsContact CG-CZ 3.44Å; E79-F133 HydrophobicContact CB-CD1 3.97Å; E79-F133 HydrophobicContact CB-CE1 3.81Å; E79-F133 WeakPolarHBondContact O-CD1 3.23Å
80E97.4Very high96.7Very high1 Ų125.8 Ų25.81%0.00513%0.134CC..  trans-54.7-33.8167.5-63.4162.7-16000111.2V84 K119 F133 D135 R149 K179E80-V84 HydrophobicContact CB-CB 4.12Å; E80-V84 HydrophobicContact CB-CG1 4.38Å; E80-V84 HydrophobicContact CG-CB 4.3Å; E80-V84 HydrophobicContact CG-CG1 4.17Å; E80-V84 PolarHBondContact N-O 3.29Å; E80-V84 VanDerWaalsContact N-O 3.14Å; E80-V84 WeakPolarHBondContact OE2-CB 3.37Å; E80-V84 WeakPolarHBondContact OE2-CG2 3.07Å; E80-K119 PolarHBondContact O-NZ 2.91Å; E80-F133 HydrophobicContact CG-CB 4.29Å; E80-D135 HydrophobicContact CG-CB 4.28Å; E80-R149 IonicContact OE1-CZ 3.29Å; E80-R149 IonicContact OE1-NE 3.21Å; E80-R149 PolarHBondContact OE1-NE 3.17Å; E80-R149 IonicContact OE1-NH2 3.73Å; E80-R149 PolarHBondContact OE1-NH2 3.42Å; E80-R149 VanDerWaalsContact OE2-CB 3.29Å; E80-R149 WeakPolarHBondContact OE2-CB 3.28Å; E80-R149 WeakPolarHBondContact OE2-CG 3.31Å; E80-R149 IonicContact OE2-CZ 2.87Å; E80-R149 IonicContact OE2-NE 2.65Å; E80-R149 PolarHBondContact OE2-NE 3.33Å; E80-R149 IonicContact OE2-NH2 2.77Å; E80-K179 WeakPolarHBondContact OE1-CE 3.38Å; E80-K179 IonicContact OE1-NZ 2.61Å; E80-K179 PolarHBondContact OE1-NZ 3.12Å
81G96.7Very high96.6Very high0 Ų027.1 Ų27.10%014%0.142CC..BIsolated β-bridgetrans100.1168.8-171.200000111.4E79 T83 V84 Q98E79-G81 PolarHBondContact O-N 3.21Å; G81-T83 PolarHBondContact O-N 2.97Å; G81-T83 VanDerWaalsContact O-N 3.16Å; G81-V84 PolarHBondContact N-O 2.85Å; G81-V84 PolarHBondContact O-N 2.93Å; G81-Q98 WeakPolarHBondContact CA-O 3.48Å
82G96.4Very high96.5Very high35 Ų3526.9 Ų26.936%0.36114%0.14SC..THydrogen-bonded Turntrans64.3-118-179.700000111.9V84 F97G82-V84 VanDerWaalsContact C-N 3.32Å; G82-V84 PolarHBondContact O-N 3.42Å; G82-F97 PolarHBondContact N-O 3.05Å
83T94.2Very high96.4Very high65 Ų6525.4 Ų25.440%0.39913%0.131SC..THydrogen-bonded Turntrans-72.9-24.2-177.258.50000112.4G81 R89G81-T83 PolarHBondContact O-N 2.97Å; G81-T83 VanDerWaalsContact O-N 3.16Å; T83-R89 PolarHBondContact O-NE 3.44Å; T83-R89 PolarHBondContact O-NH2 3.19Å
84V95.8Very high96.2Very high14 Ų1430.6 Ų30.69%0.08517%0.167CC..BIsolated β-bridgetrans-112.887.5178.8179.10000109.3D78 E80 G81 G82 R149D78-V84 HydrophobicContact CB-CG1 4.02Å; D78-V84 VanDerWaalsContact OD1-CG1 3.26Å; D78-V84 WeakPolarHBondContact OD1-CG1 3.43Å; D78-V84 VanDerWaalsContact OD2-CG1 3.25Å; D78-V84 WeakPolarHBondContact OD2-CG1 3.31Å; E80-V84 HydrophobicContact CB-CB 4.12Å; E80-V84 HydrophobicContact CB-CG1 4.38Å; E80-V84 HydrophobicContact CG-CB 4.3Å; E80-V84 HydrophobicContact CG-CG1 4.17Å; E80-V84 PolarHBondContact N-O 3.29Å; E80-V84 VanDerWaalsContact N-O 3.14Å; E80-V84 WeakPolarHBondContact OE2-CB 3.37Å; E80-V84 WeakPolarHBondContact OE2-CG2 3.07Å; G81-V84 PolarHBondContact N-O 2.85Å; G81-V84 PolarHBondContact O-N 2.93Å; G82-V84 VanDerWaalsContact C-N 3.32Å; G82-V84 PolarHBondContact O-N 3.42Å; V84-R149 HydrophobicContact CG2-CG 3.98Å
85S96.1Very high96.1Very high0 Ų034.7 Ų34.70%019%0.194CC..  trans-156.6103.1176.3176.90000110E79 S88 R89E79-S85 WeakPolarHBondContact OE2-CA 3.31Å; E79-S85 WeakPolarHBondContact OE2-CB 3.08Å; E79-S85 PolarHBondContact OE2-OG 3.43Å; S85-S88 WeakPolarHBondContact OG-CB 2.94Å; S85-S88 PolarHBondContact OG-N 2.97Å; S85-S88 PolarHBondContact OG-OG 3.2Å; S85-R89 VanDerWaalsContact O-CB 3.3Å; S85-R89 WeakPolarHBondContact O-CB 3.5Å; S85-R89 WeakPolarHBondContact O-CG 3.47Å; S85-R89 PolarHBondContact O-N 2.88Å
86R95.7Very high96Very high28 Ų2838.3 Ų38.311%0.10622%0.217CC..Hα-helixtrans-66.1-43.1-178.6-50.9-57.4-179.5-108.6-5.3110.8D47 M50 D78 E79 N90D47-R86 WeakPolarHBondContact OD1-CA 3.38Å; D47-R86 WeakPolarHBondContact OD1-CD 3.33Å; M50-R86 HydrophobicContact CE-CB 3.74Å; M50-R86 VanDerWaalsContact SD-C 3.54Å; M50-R86 HydrophobicContact SD-CB 3.55Å; M50-R86 VanDerWaalsContact SD-CB 3.55Å; D78-R86 IonicContact OD2-NH2 2.63Å; E79-R86 WeakPolarHBondContact OE1-CA 3.35Å; E79-R86 PolarHBondContact OE1-N 3.29Å; R86-N90 WeakPolarHBondContact O-CB 3.38Å; R86-N90 PolarHBondContact O-N 2.94Å; R86-N90 VanDerWaalsContact O-N 3.12Å; R86-N90 PolarHBondContact O-ND2 2.72Å
87L96.3Very high96Very high0 Ų038.5 Ų38.50%022%0.218CC..Hα-helixtrans-64.4-43179.4-67.2170.2000112.1M50 E79 Q91 I92 V93 F97 V122 F123 L126M50-L87 HydrophobicContact CE-CD2 3.82Å; M50-L87 HydrophobicContact CE-CG 4.06Å; M50-L87 HydrophobicContact SD-CB 4.47Å; M50-L87 HydrophobicContact SD-CD2 3.53Å; M50-L87 VanDerWaalsContact SD-CD2 3.53Å; M50-L87 HydrophobicContact SD-CG 3.91Å; E79-L87 HydrophobicContact CG-CD1 4.25Å; E79-L87 WeakPolarHBondContact OE1-CB 3.47Å; E79-L87 VanDerWaalsContact OE1-CG 3.27Å; E79-L87 WeakPolarHBondContact OE1-CG 3.37Å; E79-L87 PolarHBondContact OE1-N 3.38Å; L87-Q91 PolarHBondContact O-N 3.33Å; L87-I92 HydrophobicContact CB-CB 4.3Å; L87-I92 HydrophobicContact CD2-CB 3.84Å; L87-I92 HydrophobicContact CD2-CG1 4.22Å; L87-I92 HydrophobicContact CD2-CG2 3.58Å; L87-I92 WeakPolarHBondContact O-CB 3.25Å; L87-I92 PolarHBondContact O-N 2.72Å; L87-V93 HydrophobicContact CB-CG1 4.18Å; L87-V93 HydrophobicContact CB-CG2 4.07Å; L87-F97 HydrophobicContact CB-CE2 4.33Å; L87-F97 HydrophobicContact CD1-CE2 4.05Å; L87-V122 HydrophobicContact CD1-CG1 4.02Å; L87-F123 HydrophobicContact CD1-CD1 4.19Å; L87-F123 HydrophobicContact CD1-CE1 3.78Å; L87-L126 HydrophobicContact CD1-CD1 4.26Å; L87-L126 HydrophobicContact CD2-CD1 3.56Å
88S96.1Very high96Very high17 Ų1742.1 Ų42.112%0.11924%0.235CC..Hα-helixtrans-72.3-43.6-179.3-56.40000111.9S85 N90 Q91 F97S85-S88 WeakPolarHBondContact OG-CB 2.94Å; S85-S88 PolarHBondContact OG-N 2.97Å; S85-S88 PolarHBondContact OG-OG 3.2Å; S88-N90 PolarHBondContact O-N 3.37Å; S88-Q91 PolarHBondContact O-N 3.19Å; S88-Q91 VanDerWaalsContact O-N 3.09Å; S88-F97 PolarHBondContact OG-N 3.45Å
89R94.6Very high96.1Very high134 Ų13442.5 Ų42.551%0.50624%0.239SC..Hα-helixtrans-59.8-35.7178-76.7175.5168.7-153.5-4.9112.2D47 T83 S85D47-R89 IonicContact OD2-NH1 3.58Å; D47-R89 PolarHBondContact OD2-NH1 2.96Å; T83-R89 PolarHBondContact O-NE 3.44Å; T83-R89 PolarHBondContact O-NH2 3.19Å; S85-R89 VanDerWaalsContact O-CB 3.3Å; S85-R89 WeakPolarHBondContact O-CB 3.5Å; S85-R89 WeakPolarHBondContact O-CG 3.47Å; S85-R89 PolarHBondContact O-N 2.88Å
90N95.3Very high96.2Very high29 Ų2942.6 Ų42.616%0.15524%0.24CC..THydrogen-bonded Turntrans-93.412.9178.8-66.7-74.5000113.8D47 M50 E51 R86 S88 I92D47-N90 PolarHBondContact O-ND2 2.96Å; D47-N90 PolarHBondContact OD1-ND2 3.49Å; M50-N90 HydrophobicContact CB-CB 3.79Å; E51-N90 VanDerWaalsContact CA-OD1 3.31Å; E51-N90 WeakPolarHBondContact CA-OD1 3.35Å; R86-N90 WeakPolarHBondContact O-CB 3.38Å; R86-N90 PolarHBondContact O-N 2.94Å; R86-N90 VanDerWaalsContact O-N 3.12Å; R86-N90 PolarHBondContact O-ND2 2.72Å; S88-N90 PolarHBondContact O-N 3.37Å; N90-I92 HydrophobicContact CB-CG1 4.04Å; N90-I92 PolarHBondContact O-N 3.11Å
91Q95Very high96.3Very high173 Ų17344.7 Ų44.781%0.80825%0.25SC*.THydrogen-bonded Turntrans5723.3176.1-60.8163.468.600114.2L87 S88 V93L87-Q91 PolarHBondContact O-N 3.33Å; S88-Q91 PolarHBondContact O-N 3.19Å; S88-Q91 VanDerWaalsContact O-N 3.09Å; Q91-V93 PolarHBondContact O-N 3.38Å
92I95.4Very high96.3Very high9 Ų946.1 Ų46.15%0.04626%0.261CS..SBendtrans-70.4-27.4175.6-55-62.9000110.7M50 K53 Q55 V58 L87 N90 L126M50-I92 HydrophobicContact CB-CG1 4.22Å; K53-I92 WeakPolarHBondContact O-CD1 3.33Å; Q55-I92 HydrophobicContact CB-CG2 4.48Å; Q55-I92 HydrophobicContact CG-CG2 3.57Å; Q55-I92 WeakPolarHBondContact CG-O 3.33Å; Q55-I92 PolarHBondContact NE2-O 3.44Å; V58-I92 HydrophobicContact CG2-CD1 4.1Å; L87-I92 HydrophobicContact CB-CB 4.3Å; L87-I92 HydrophobicContact CD2-CB 3.84Å; L87-I92 HydrophobicContact CD2-CG1 4.22Å; L87-I92 HydrophobicContact CD2-CG2 3.58Å; L87-I92 WeakPolarHBondContact O-CB 3.25Å; L87-I92 PolarHBondContact O-N 2.72Å; N90-I92 HydrophobicContact CB-CG1 4.04Å; N90-I92 PolarHBondContact O-N 3.11Å; I92-L126 HydrophobicContact CG2-CD1 4.36Å
93V95.7Very high96.4Very high9 Ų945 Ų456%0.05525%0.247CC..SBendtrans-121.8145176.8-64.20000111.3L87 Q91 F97 V122L87-V93 HydrophobicContact CB-CG1 4.18Å; L87-V93 HydrophobicContact CB-CG2 4.07Å; Q91-V93 PolarHBondContact O-N 3.38Å; V93-F97 HydrophobicContact CB-CE2 4.49Å; V93-F97 HydrophobicContact CB-CZ 4.46Å; V93-F97 HydrophobicContact CG1-CE2 4.13Å; V93-F97 HydrophobicContact CG1-CZ 4.06Å; V93-F97 HydrophobicContact CG2-CD2 4.07Å; V93-F97 HydrophobicContact CG2-CE2 3.88Å; V93-F97 HydrophobicContact CG2-CZ 4.25Å; V93-V122 HydrophobicContact CG1-CB 4.41Å; V93-V122 HydrophobicContact CG1-CG1 3.6Å; V93-V122 HydrophobicContact CG1-CG2 4.01Å
94S94.3Very high96.7Very high109 Ų10945.9 Ų45.976%0.76224%0.244SC*.SBendtrans-142.4132.3171.8-175.20000110.2R118S94-R118 PolarHBondContact O-NH2 2.9Å
95P95.5Very high96.8Very high86 Ų8653.4 Ų53.456%0.55828%0.278SS*.SBendcis-64.5161.1-627.6-34.3000112.8R118P95-R118 VanDerWaalsContact CD-NH2 3.32Å; P95-R118 VanDerWaalsContact N-NH2 3.19Å; P95-R118 PolarHBondContact O-NH1 3.41Å; P95-R118 PolarHBondContact O-NH2 2.98Å
96P97.2Very high96.9Very high77 Ų7760 Ų6050%0.531%0.307SS..PPolyproline II helixtrans-60.6151.8176.226.5-35.3000111.9Q98P96-Q98 PolarHBondContact O-N 3.11Å
97F98Very high97Very high4 Ų462.7 Ų62.72%0.01832%0.323CS..PPolyproline II helixtrans-66.9123.2169.2-61.1-50.9000109.4G82 L87 S88 V93 R118 K119 V122G82-F97 PolarHBondContact N-O 3.05Å; L87-F97 HydrophobicContact CB-CE2 4.33Å; L87-F97 HydrophobicContact CD1-CE2 4.05Å; S88-F97 PolarHBondContact OG-N 3.45Å; V93-F97 HydrophobicContact CB-CE2 4.49Å; V93-F97 HydrophobicContact CB-CZ 4.46Å; V93-F97 HydrophobicContact CG1-CE2 4.13Å; V93-F97 HydrophobicContact CG1-CZ 4.06Å; V93-F97 HydrophobicContact CG2-CD2 4.07Å; V93-F97 HydrophobicContact CG2-CE2 3.88Å; V93-F97 HydrophobicContact CG2-CZ 4.25Å; F97-R118 HydrophobicContact CE1-CG 4.08Å; F97-K119 HydrophobicContact CD1-CG 3.74Å; F97-K119 HydrophobicContact CD2-CG 4.06Å; F97-K119 HydrophobicContact CE1-CB 4.41Å; F97-K119 HydrophobicContact CE1-CG 3.53Å; F97-K119 HydrophobicContact CE2-CG 3.86Å; F97-K119 HydrophobicContact CG-CG 4.02Å; F97-K119 HydrophobicContact CZ-CB 4.31Å; F97-K119 HydrophobicContact CZ-CG 3.6Å; F97-V122 HydrophobicContact CZ-CB 4.33Å; F97-V122 HydrophobicContact CZ-CG2 4.18Å
98Q98.1Very high97.1Very high75 Ų7563.7 Ų63.735%0.3533%0.333SS..PPolyproline II helixtrans-83161.2-177.2-69.9173.495.800110.6G81 P96 A102 L103G81-Q98 WeakPolarHBondContact CA-O 3.48Å; P96-Q98 PolarHBondContact O-N 3.11Å; Q98-A102 HydrophobicContact CB-CB 4.24Å; Q98-L103 HydrophobicContact CB-CD2 3.89Å; Q98-L103 HydrophobicContact CB-CG 3.86Å
99S98.3Very high97.2Very high28 Ų2866 Ų6620%0.19634%0.34CS..PPolyproline II helixtrans-63.7154.7174.366.60000111Q101 A102 L103S99-Q101 PolarHBondContact O-N 3.11Å; S99-A102 PolarHBondContact O-N 3.03Å; S99-A102 VanDerWaalsContact O-N 3.1Å; S99-A102 WeakPolarHBondContact OG-CB 3.45Å; S99-A102 PolarHBondContact OG-N 2.9Å; S99-L103 WeakPolarHBondContact O-CG 3.29Å; S99-L103 PolarHBondContact O-N 3.2Å
100P98.5Very high97.4Very high1 Ų164 Ų641%0.00634%0.339CS..Hα-helixtrans-53.4-41.1175.7-27.436.2000112.6L103 Y104 I112 I151 Y161P100-L103 PolarHBondContact O-N 3.37Å; P100-Y104 WeakPolarHBondContact O-CB 3.42Å; P100-Y104 PolarHBondContact O-N 3.35Å; P100-I112 HydrophobicContact CB-CD1 4.38Å; P100-I112 WeakPolarHBondContact O-CD1 3.46Å; P100-I151 HydrophobicContact CB-CB 4.35Å; P100-I151 HydrophobicContact CB-CD1 3.65Å; P100-I151 WeakPolarHBondContact O-CD1 3.48Å; P100-Y161 HydrophobicContact CB-CE2 4.04Å; P100-Y161 HydrophobicContact CG-CE2 4.46Å; P100-Y161 WeakPolarHBondContact CG-OH 3.28Å
101Q98.6Very high97.5Very high45 Ų4562.9 Ų62.921%0.2133%0.334CS..Hα-helixtrans-61.3-46.6176.1-68.8-179.547.700113S99 Y104 Q105 Y147 T150 I151S99-Q101 PolarHBondContact O-N 3.11Å; Q101-Y104 PolarHBondContact O-N 3.32Å; Q101-Q105 WeakPolarHBondContact O-CB 3.49Å; Q101-Q105 PolarHBondContact O-N 3.07Å; Q101-Y147 PolarHBondContact NE2-O 3.27Å; Q101-T150 WeakPolarHBondContact CG-O 3.37Å; Q101-T150 PolarHBondContact NE2-O 2.8Å; Q101-I151 WeakPolarHBondContact CG-O 3.37Å
102A98.4Very high97.7Very high30 Ų3054.7 Ų54.725%0.24830%0.296CS..Hα-helixtrans-66.3-39.6-179.800000111.8Q98 S99 K106Q98-A102 HydrophobicContact CB-CB 4.24Å; S99-A102 PolarHBondContact O-N 3.03Å; S99-A102 VanDerWaalsContact O-N 3.1Å; S99-A102 WeakPolarHBondContact OG-CB 3.45Å; S99-A102 PolarHBondContact OG-N 2.9Å; A102-K106 VanDerWaalsContact O-CB 3.24Å; A102-K106 WeakPolarHBondContact O-CB 3.48Å; A102-K106 PolarHBondContact O-N 3.05Å
103L98.6Very high97.9Very high13 Ų1357.8 Ų57.87%0.06831%0.309CS..Hα-helixtrans-61.1-47.4174.2-69.5167.2000111.3Q98 S99 P100 K106 N107 I112 D115Q98-L103 HydrophobicContact CB-CD2 3.89Å; Q98-L103 HydrophobicContact CB-CG 3.86Å; S99-L103 WeakPolarHBondContact O-CG 3.29Å; S99-L103 PolarHBondContact O-N 3.2Å; P100-L103 PolarHBondContact O-N 3.37Å; L103-K106 PolarHBondContact O-N 3.13Å; L103-N107 PolarHBondContact O-N 3.03Å; L103-I112 HydrophobicContact CB-CD1 3.71Å; L103-I112 HydrophobicContact CD1-CD1 4.28Å; L103-D115 HydrophobicContact CD1-CB 3.46Å; L103-D115 VanDerWaalsContact CD1-CB 3.46Å; L103-D115 HydrophobicContact CD2-CB 3.85Å; L103-D115 HydrophobicContact CG-CB 4.28Å
104Y98.6Very high98Very high82 Ų8262.7 Ų62.732%0.32233%0.331SS..Hα-helixtrans-65.8-43.3179-174.4-95.6000112.3P100 Q101 K106 G108 W109 I151 M153P100-Y104 WeakPolarHBondContact O-CB 3.42Å; P100-Y104 PolarHBondContact O-N 3.35Å; Q101-Y104 PolarHBondContact O-N 3.32Å; Y104-K106 VanDerWaalsContact C-N 3.26Å; Y104-K106 PolarHBondContact O-N 2.91Å; Y104-G108 WeakPolarHBondContact O-CA 3.3Å; Y104-G108 PolarHBondContact O-N 2.8Å; Y104-W109 HydrophobicContact CD2-CD2 4.09Å; Y104-W109 AromaticContact CD2-CE3 3.98Å; Y104-W109 HydrophobicContact CD2-CE3 3.98Å; Y104-W109 HydrophobicContact CD2-CH2 4.46Å; Y104-W109 HydrophobicContact CD2-CZ3 4.16Å; Y104-W109 AromaticContact CE2-CD2 3.61Å; Y104-W109 HydrophobicContact CE2-CD2 3.61Å; Y104-W109 AromaticContact CE2-CE2 3.52Å; Y104-W109 AromaticContact CE2-CE3 3.93Å; Y104-W109 HydrophobicContact CE2-CE3 3.93Å; Y104-W109 HydrophobicContact CE2-CG 4.07Å; Y104-W109 HydrophobicContact CE2-CH2 4.1Å; Y104-W109 AromaticContact CE2-CZ2 3.79Å; Y104-W109 HydrophobicContact CE2-CZ2 3.79Å; Y104-W109 HydrophobicContact CE2-CZ3 4.16Å; Y104-W109 AromaticContact CE2-NE1 3.91Å; Y104-I151 HydrophobicContact CG-CD1 4.45Å; Y104-M153 HydrophobicContact CD1-CE 3.34Å; Y104-M153 HydrophobicContact CD2-CE 3.87Å; Y104-M153 HydrophobicContact CE1-CE 3.15Å; Y104-M153 HydrophobicContact CE2-CE 3.71Å; Y104-M153 HydrophobicContact CG-CE 3.69Å
105Q98.2Very high98.2Very high172 Ų17258 Ų5880%0.80430%0.297SS*.Hα-helixtrans-61.5-38.3176.5-174.1-178.921.900111.7Q101Q101-Q105 WeakPolarHBondContact O-CB 3.49Å; Q101-Q105 PolarHBondContact O-N 3.07Å
106K98Very high98.3Very high139 Ų13954.1 Ų54.160%0.60427%0.272SS*.Hα-helixtrans-71.1-52-178.1-174.7179179.5179.50112.2A102 L103 Y104A102-K106 VanDerWaalsContact O-CB 3.24Å; A102-K106 WeakPolarHBondContact O-CB 3.48Å; A102-K106 PolarHBondContact O-N 3.05Å; L103-K106 PolarHBondContact O-N 3.13Å; Y104-K106 VanDerWaalsContact C-N 3.26Å; Y104-K106 PolarHBondContact O-N 2.91Å
107N98.1Very high98.4Very high84 Ų8453.2 Ų53.245%0.44926%0.263SS..Hα-helixtrans-138.117.2-167.9-78.1-4.8000113.9L103 D110 G111L103-N107 PolarHBondContact O-N 3.03Å; N107-D110 PolarHBondContact O-N 3.15Å; N107-G111 PolarHBondContact O-N 3.19Å
108G98.6Very high98.4Very high21 Ų2156 Ų5622%0.21627%0.273CS..Hα-helixtrans58.1-146.7-177.800000113Y104 D110 G111 I112Y104-G108 WeakPolarHBondContact O-CA 3.3Å; Y104-G108 PolarHBondContact O-N 2.8Å; G108-D110 PolarHBondContact O-N 2.97Å; G108-G111 PolarHBondContact O-N 2.9Å; G108-G111 VanDerWaalsContact O-N 3.09Å; G108-I112 PolarHBondContact O-N 2.88Å
109W98.6Very high98.4Very high67 Ų6752.6 Ų52.625%0.25426%0.257SS..Hα-helixtrans-62.4-28.8178.9-61.2121.2000113.9Y104 G111 I112 K113 M153 H160 L164Y104-W109 HydrophobicContact CD2-CD2 4.09Å; Y104-W109 AromaticContact CD2-CE3 3.98Å; Y104-W109 HydrophobicContact CD2-CE3 3.98Å; Y104-W109 HydrophobicContact CD2-CH2 4.46Å; Y104-W109 HydrophobicContact CD2-CZ3 4.16Å; Y104-W109 AromaticContact CE2-CD2 3.61Å; Y104-W109 HydrophobicContact CE2-CD2 3.61Å; Y104-W109 AromaticContact CE2-CE2 3.52Å; Y104-W109 AromaticContact CE2-CE3 3.93Å; Y104-W109 HydrophobicContact CE2-CE3 3.93Å; Y104-W109 HydrophobicContact CE2-CG 4.07Å; Y104-W109 HydrophobicContact CE2-CH2 4.1Å; Y104-W109 AromaticContact CE2-CZ2 3.79Å; Y104-W109 HydrophobicContact CE2-CZ2 3.79Å; Y104-W109 HydrophobicContact CE2-CZ3 4.16Å; Y104-W109 AromaticContact CE2-NE1 3.91Å; W109-G111 VanDerWaalsContact C-N 3.3Å; W109-I112 HydrophobicContact CE3-CG1 4.35Å; W109-I112 PolarHBondContact O-N 2.84Å; W109-K113 PolarHBondContact O-N 3.14Å; W109-K113 VanDerWaalsContact O-N 3.13Å; W109-M153 HydrophobicContact CH2-CE 4.22Å; W109-M153 HydrophobicContact CH2-SD 3.87Å; W109-M153 HydrophobicContact CZ2-CE 4.48Å; W109-M153 HydrophobicContact CZ2-SD 4.26Å; W109-H160 AromaticContact CD2-CD2 3.46Å; W109-H160 VanDerWaalsContact CD2-CD2 3.46Å; W109-H160 AromaticContact CD2-NE2 3.75Å; W109-H160 AromaticContact CE2-CD2 3.34Å; W109-H160 AromaticContact CE2-NE2 3.78Å; W109-H160 AromaticContact CE3-CD2 3.61Å; W109-H160 AromaticContact CG-NE2 4Å; W109-H160 HydrophobicContact CH2-CB 4.03Å; W109-H160 AromaticContact CH2-CD2 3.58Å; W109-H160 HydrophobicContact CZ2-CB 4.14Å; W109-H160 AromaticContact CZ2-CD2 3.42Å; W109-H160 VanDerWaalsContact CZ2-CD2 3.42Å; W109-H160 WeakPolarHBondContact CZ2-CD2 3.35Å; W109-H160 AromaticContact CZ2-CG 3.95Å; W109-H160 AromaticContact CZ3-CD2 3.67Å; W109-H160 AromaticContact NE1-CD2 3.99Å; W109-H160 AromaticContact NE1-NE2 3.99Å; W109-L164 HydrophobicContact CB-CD1 3.94Å; W109-L164 HydrophobicContact CD2-CD1 4.45Å; W109-L164 HydrophobicContact CE3-CD1 4.09Å; W109-L164 HydrophobicContact CG-CD1 4.44Å
110D98.6Very high98.4Very high92 Ų9251.8 Ų51.849%0.49225%0.252SS..Hα-helixtrans-71.5-29.9176.4-69.2-20.3000111.4N107 G108 I112 K113 Q114N107-D110 PolarHBondContact O-N 3.15Å; G108-D110 PolarHBondContact O-N 2.97Å; D110-I112 VanDerWaalsContact C-N 3.33Å; D110-K113 PolarHBondContact O-N 2.88Å; D110-K113 IonicContact OD1-NZ 2.73Å; D110-K113 PolarHBondContact OD1-NZ 2.9Å; D110-Q114 WeakPolarHBondContact O-CB 3.43Å; D110-Q114 WeakPolarHBondContact O-CG 3.47Å; D110-Q114 PolarHBondContact O-N 3.23Å
111G98.4Very high98.4Very high4 Ų457.5 Ų57.54%0.04128%0.279CS..Hα-helixtrans-60.6-40.9169.700000112.8N107 G108 W109 D115N107-G111 PolarHBondContact O-N 3.19Å; G108-G111 PolarHBondContact O-N 2.9Å; G108-G111 VanDerWaalsContact O-N 3.09Å; W109-G111 VanDerWaalsContact C-N 3.3Å; G111-D115 PolarHBondContact O-N 2.94Å
112I98.7Very high98.3Very high2 Ų255.9 Ų55.91%0.0127%0.272CS..Hα-helixtrans-65.5-48.5176.4-56.1-63.8000111P100 L103 G108 W109 D110 Q114 D115 I116 I151 Y161 L164P100-I112 HydrophobicContact CB-CD1 4.38Å; P100-I112 WeakPolarHBondContact O-CD1 3.46Å; L103-I112 HydrophobicContact CB-CD1 3.71Å; L103-I112 HydrophobicContact CD1-CD1 4.28Å; G108-I112 PolarHBondContact O-N 2.88Å; W109-I112 HydrophobicContact CE3-CG1 4.35Å; W109-I112 PolarHBondContact O-N 2.84Å; D110-I112 VanDerWaalsContact C-N 3.33Å; I112-Q114 PolarHBondContact O-N 3.46Å; I112-D115 PolarHBondContact O-N 3.46Å; I112-I116 HydrophobicContact CG2-CD1 3.94Å; I112-I116 WeakPolarHBondContact O-CG1 3.4Å; I112-I116 PolarHBondContact O-N 2.88Å; I112-I151 HydrophobicContact CD1-CD1 3.94Å; I112-Y161 HydrophobicContact CD1-CD2 4.37Å; I112-Y161 HydrophobicContact CD1-CE2 4.15Å; I112-Y161 HydrophobicContact CG1-CD2 4.48Å; I112-Y161 HydrophobicContact CG2-CD2 3.9Å; I112-Y161 HydrophobicContact CG2-CE2 3.71Å; I112-L164 HydrophobicContact CB-CD2 4.16Å; I112-L164 HydrophobicContact CG2-CD2 3.62Å
113K98.6Very high98.3Very high74 Ų7454.5 Ų54.532%0.32226%0.261SS..Hα-helixtrans-58.4-47.4178.6-67.2174.7-170.7152.50111.9W109 D110 D115 I116 D117 L164W109-K113 PolarHBondContact O-N 3.14Å; W109-K113 VanDerWaalsContact O-N 3.13Å; D110-K113 PolarHBondContact O-N 2.88Å; D110-K113 IonicContact OD1-NZ 2.73Å; D110-K113 PolarHBondContact OD1-NZ 2.9Å; K113-D115 VanDerWaalsContact C-N 3.26Å; K113-D115 PolarHBondContact O-N 2.92Å; K113-I116 PolarHBondContact O-N 2.87Å; K113-I116 VanDerWaalsContact O-N 3.15Å; K113-D117 PolarHBondContact O-N 2.8Å; K113-L164 HydrophobicContact CG-CD1 4.06Å; K113-L164 HydrophobicContact CG-CD2 3.73Å; K113-L164 HydrophobicContact CG-CG 4.05Å
114Q98.3Very high98.3Very high111 Ų11156.7 Ų56.752%0.51929%0.286SS..Hα-helixtrans-59.7-37.5179.5-73.4167.221.500112.3D110 I112 R118D110-Q114 WeakPolarHBondContact O-CB 3.43Å; D110-Q114 WeakPolarHBondContact O-CG 3.47Å; D110-Q114 PolarHBondContact O-N 3.23Å; I112-Q114 PolarHBondContact O-N 3.46Å; Q114-R118 VanDerWaalsContact O-CB 3.29Å; Q114-R118 WeakPolarHBondContact O-CB 3.38Å; Q114-R118 PolarHBondContact O-N 3.37Å; Q114-R118 VanDerWaalsContact O-N 3.12Å
115D98.3Very high98.2Very high11 Ų1156.6 Ų56.66%0.05929%0.289CS..Hα-helixtrans-69.1-41.7176.2-174.375.2000112L103 G111 I112 K113 R118 K119L103-D115 HydrophobicContact CD1-CB 3.46Å; L103-D115 VanDerWaalsContact CD1-CB 3.46Å; L103-D115 HydrophobicContact CD2-CB 3.85Å; L103-D115 HydrophobicContact CG-CB 4.28Å; G111-D115 PolarHBondContact O-N 2.94Å; I112-D115 PolarHBondContact O-N 3.46Å; K113-D115 VanDerWaalsContact C-N 3.26Å; K113-D115 PolarHBondContact O-N 2.92Å; D115-R118 WeakPolarHBondContact O-CB 3.12Å; D115-R118 PolarHBondContact O-N 2.91Å; D115-K119 WeakPolarHBondContact O-CG 3.24Å; D115-K119 PolarHBondContact O-N 3.46Å; D115-K119 WeakPolarHBondContact OD2-CD 3.22Å; D115-K119 WeakPolarHBondContact OD2-CE 3.46Å; D115-K119 IonicContact OD2-NZ 3.89Å; D115-K119 PolarHBondContact OD2-NZ 3.44Å
116I98.4Very high98.2Very high4 Ų448.6 Ų48.62%0.02125%0.251CS..Hα-helixtrans-66-43.6177.8-65.6174.4000111.5I112 K113 R118 K119 A120 L164 S165 E168 M169I112-I116 HydrophobicContact CG2-CD1 3.94Å; I112-I116 WeakPolarHBondContact O-CG1 3.4Å; I112-I116 PolarHBondContact O-N 2.88Å; K113-I116 PolarHBondContact O-N 2.87Å; K113-I116 VanDerWaalsContact O-N 3.15Å; I116-R118 PolarHBondContact O-N 2.78Å; I116-K119 PolarHBondContact O-N 2.93Å; I116-A120 WeakPolarHBondContact O-CB 3.36Å; I116-A120 PolarHBondContact O-N 3.34Å; I116-L164 HydrophobicContact CD1-CD2 4.31Å; I116-S165 WeakPolarHBondContact CD1-OG 3.42Å; I116-E168 HydrophobicContact CB-CB 4.42Å; I116-E168 HydrophobicContact CB-CG 4.28Å; I116-E168 HydrophobicContact CG2-CB 3.88Å; I116-E168 HydrophobicContact CG2-CG 3.96Å; I116-M169 HydrophobicContact CG2-CG 3.66Å
117D98.2Very high98.2Very high58 Ų5843 Ų4331%0.3123%0.234SC..Hα-helixtrans-56.9-43.9174.1-74.8-26.5000111K113 A120 Q121 Q172K113-D117 PolarHBondContact O-N 2.8Å; D117-A120 PolarHBondContact O-N 3.2Å; D117-Q121 PolarHBondContact O-N 3.37Å; D117-Q172 PolarHBondContact OD1-NE2 2.82Å
118R98Very high98.2Very high63 Ų6339.3 Ų39.324%0.23821%0.214CC..Hα-helixtrans-66.8-43.7178.3-172.3-175.4174.2-139.5-10.7112.2S94 P95 F97 Q114 D115 I116 A120 Q121 V122S94-R118 PolarHBondContact O-NH2 2.9Å; P95-R118 VanDerWaalsContact CD-NH2 3.32Å; P95-R118 VanDerWaalsContact N-NH2 3.19Å; P95-R118 PolarHBondContact O-NH1 3.41Å; P95-R118 PolarHBondContact O-NH2 2.98Å; F97-R118 HydrophobicContact CE1-CG 4.08Å; Q114-R118 VanDerWaalsContact O-CB 3.29Å; Q114-R118 WeakPolarHBondContact O-CB 3.38Å; Q114-R118 PolarHBondContact O-N 3.37Å; Q114-R118 VanDerWaalsContact O-N 3.12Å; D115-R118 WeakPolarHBondContact O-CB 3.12Å; D115-R118 PolarHBondContact O-N 2.91Å; I116-R118 PolarHBondContact O-N 2.78Å; R118-A120 VanDerWaalsContact C-N 3.35Å; R118-Q121 PolarHBondContact O-N 3.05Å; R118-V122 WeakPolarHBondContact O-CG2 3.41Å; R118-V122 PolarHBondContact O-N 3.24Å; R118-V122 VanDerWaalsContact O-N 3.07Å
119K98.4Very high98.2Very high4 Ų439.9 Ų39.92%0.01721%0.211CC..Hα-helixtrans-58.5-48.3174.1-78.5171176161.70110E79 E80 F97 D115 I116 Q121 V122 F123 F133E79-K119 WeakPolarHBondContact O-CE 3.23Å; E79-K119 PolarHBondContact O-NZ 3.04Å; E80-K119 PolarHBondContact O-NZ 2.91Å; F97-K119 HydrophobicContact CD1-CG 3.74Å; F97-K119 HydrophobicContact CD2-CG 4.06Å; F97-K119 HydrophobicContact CE1-CB 4.41Å; F97-K119 HydrophobicContact CE1-CG 3.53Å; F97-K119 HydrophobicContact CE2-CG 3.86Å; F97-K119 HydrophobicContact CG-CG 4.02Å; F97-K119 HydrophobicContact CZ-CB 4.31Å; F97-K119 HydrophobicContact CZ-CG 3.6Å; D115-K119 WeakPolarHBondContact O-CG 3.24Å; D115-K119 PolarHBondContact O-N 3.46Å; D115-K119 WeakPolarHBondContact OD2-CD 3.22Å; D115-K119 WeakPolarHBondContact OD2-CE 3.46Å; D115-K119 IonicContact OD2-NZ 3.89Å; D115-K119 PolarHBondContact OD2-NZ 3.44Å; I116-K119 PolarHBondContact O-N 2.93Å; K119-Q121 VanDerWaalsContact C-N 3.34Å; K119-Q121 PolarHBondContact O-N 3.17Å; K119-V122 PolarHBondContact O-N 3.12Å; K119-F123 HydrophobicContact CB-CE1 4.49Å; K119-F123 WeakPolarHBondContact O-CB 3.35Å; K119-F123 WeakPolarHBondContact O-CD1 3.37Å; K119-F123 WeakPolarHBondContact O-CG 3.41Å; K119-F123 PolarHBondContact O-N 3.17Å; K119-F133 HydrophobicContact CB-CZ 4.32Å; K119-F133 HydrophobicContact CD-CE1 4.47Å; K119-F133 HydrophobicContact CD-CE2 4.22Å; K119-F133 HydrophobicContact CD-CZ 3.93Å
120A98.2Very high98.2Very high11 Ų1136.7 Ų36.79%0.09120%0.199CC..Hα-helixtrans-60.8-40.6179.400000112.9I116 D117 R118 F123 G124 Q172 L174I116-A120 WeakPolarHBondContact O-CB 3.36Å; I116-A120 PolarHBondContact O-N 3.34Å; D117-A120 PolarHBondContact O-N 3.2Å; R118-A120 VanDerWaalsContact C-N 3.35Å; A120-F123 PolarHBondContact O-N 3.22Å; A120-G124 PolarHBondContact O-N 3.48Å; A120-Q172 HydrophobicContact CB-CB 3.52Å; A120-Q172 HydrophobicContact CB-CG 3.71Å; A120-L174 HydrophobicContact CB-CB 4.42Å; A120-L174 HydrophobicContact CB-CD2 4.08Å
121Q98Very high98.1Very high121 Ų12132.3 Ų32.357%0.56518%0.175SC*.Hα-helixtrans-59.7-52173.7-176.6-175-14.600111.4D117 R118 K119 F123 G124 E125D117-Q121 PolarHBondContact O-N 3.37Å; R118-Q121 PolarHBondContact O-N 3.05Å; K119-Q121 VanDerWaalsContact C-N 3.34Å; K119-Q121 PolarHBondContact O-N 3.17Å; Q121-F123 VanDerWaalsContact C-N 3.32Å; Q121-F123 PolarHBondContact O-N 3.37Å; Q121-G124 PolarHBondContact O-N 3.28Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.38Å; Q121-E125 PolarHBondContact NE2-OE1 3.07Å; Q121-E125 WeakPolarHBondContact O-CG 3.48Å; Q121-E125 PolarHBondContact O-N 3.42Å
122V98Very high98.1Very high11 Ų1132.1 Ų32.17%0.06717%0.173CC..Hα-helixtrans-60.6-43.6179.81710000111L87 V93 F97 R118 K119 G124 E125 L126L87-V122 HydrophobicContact CD1-CG1 4.02Å; V93-V122 HydrophobicContact CG1-CB 4.41Å; V93-V122 HydrophobicContact CG1-CG1 3.6Å; V93-V122 HydrophobicContact CG1-CG2 4.01Å; F97-V122 HydrophobicContact CZ-CB 4.33Å; F97-V122 HydrophobicContact CZ-CG2 4.18Å; R118-V122 WeakPolarHBondContact O-CG2 3.41Å; R118-V122 PolarHBondContact O-N 3.24Å; R118-V122 VanDerWaalsContact O-N 3.07Å; K119-V122 PolarHBondContact O-N 3.12Å; V122-G124 PolarHBondContact O-N 2.93Å; V122-E125 PolarHBondContact O-N 3.45Å; V122-L126 HydrophobicContact CG1-CD1 3.84Å; V122-L126 HydrophobicContact CG1-CG 4.38Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 3.38Å
123F98.4Very high98.1Very high1 Ų132.1 Ų32.10%0.00417%0.173CC..Hα-helixtrans-60.4-46.4178.6-86.248.9000111.1E79 L87 K119 A120 Q121 E125 L126 G127 I128 F133 L174E79-F123 HydrophobicContact CB-CE1 4.11Å; E79-F123 HydrophobicContact CB-CZ 3.78Å; E79-F123 HydrophobicContact CG-CE1 3.68Å; E79-F123 HydrophobicContact CG-CZ 3.44Å; E79-F123 VanDerWaalsContact CG-CZ 3.44Å; L87-F123 HydrophobicContact CD1-CD1 4.19Å; L87-F123 HydrophobicContact CD1-CE1 3.78Å; K119-F123 HydrophobicContact CB-CE1 4.49Å; K119-F123 WeakPolarHBondContact O-CB 3.35Å; K119-F123 WeakPolarHBondContact O-CD1 3.37Å; K119-F123 WeakPolarHBondContact O-CG 3.41Å; K119-F123 PolarHBondContact O-N 3.17Å; A120-F123 PolarHBondContact O-N 3.22Å; Q121-F123 VanDerWaalsContact C-N 3.32Å; Q121-F123 PolarHBondContact O-N 3.37Å; F123-E125 VanDerWaalsContact C-N 3.33Å; F123-E125 PolarHBondContact O-N 2.83Å; F123-L126 PolarHBondContact O-N 2.98Å; F123-G127 PolarHBondContact O-N 3.38Å; F123-I128 CarbonylContact C-O 3.5Å; F123-I128 HydrophobicContact CB-CB 4.1Å; F123-I128 HydrophobicContact CD2-CB 3.62Å; F123-I128 HydrophobicContact CD2-CG2 3.31Å; F123-I128 HydrophobicContact CE2-CB 4.26Å; F123-I128 HydrophobicContact CE2-CG2 3.51Å; F123-I128 HydrophobicContact CG-CB 3.94Å; F123-I128 HydrophobicContact CG-CG2 4.11Å; F123-I128 HydrophobicContact CZ-CG2 4.42Å; F123-I128 PolarHBondContact O-N 2.96Å; F123-F133 HydrophobicContact CE2-CE1 4.16Å; F123-F133 AromaticContact CZ-CE1 3.87Å; F123-F133 HydrophobicContact CZ-CE1 3.87Å; F123-L174 HydrophobicContact CB-CD1 4.16Å; F123-L174 HydrophobicContact CD2-CD1 3.45Å; F123-L174 VanDerWaalsContact CD2-CD1 3.45Å; F123-L174 HydrophobicContact CD2-CD2 4.43Å; F123-L174 HydrophobicContact CE2-CD1 4.16Å; F123-L174 HydrophobicContact CG-CD1 4.13Å
124G97.7Very high98.1Very high59 Ų5928.6 Ų28.661%0.60816%0.158SC*.Hα-helixtrans-61.1-38.5175.300000113.2A120 Q121 V122 G127A120-G124 PolarHBondContact O-N 3.48Å; Q121-G124 PolarHBondContact O-N 3.28Å; V122-G124 PolarHBondContact O-N 2.93Å; G124-G127 PolarHBondContact O-N 2.82Å
125E97.4Very high98.1Very high80 Ų8023.3 Ų23.337%0.37413%0.133SC..Hα-helixtrans-65.5-38.5176.9-75171.9-171.700112.5K59 Q121 V122 F123K59-E125 WeakPolarHBondContact CD-O 3.39Å; K59-E125 WeakPolarHBondContact CE-O 3.34Å; K59-E125 PolarHBondContact NZ-O 3.21Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.38Å; Q121-E125 PolarHBondContact NE2-OE1 3.07Å; Q121-E125 WeakPolarHBondContact O-CG 3.48Å; Q121-E125 PolarHBondContact O-N 3.42Å; V122-E125 PolarHBondContact O-N 3.45Å; F123-E125 VanDerWaalsContact C-N 3.33Å; F123-E125 PolarHBondContact O-N 2.83Å
126L97.9Very high98.1Very high3 Ų322.8 Ų22.82%0.01613%0.13CC..Hα-helixtrans-82.3-23.2179.3-65177.5000113.5Q55 V58 K59 I62 L87 I92 V122 F123 I128Q55-L126 HydrophobicContact CB-CD2 3.78Å; Q55-L126 HydrophobicContact CG-CD2 4.08Å; Q55-L126 WeakPolarHBondContact O-CD2 3.45Å; V58-L126 HydrophobicContact CB-CD2 4.28Å; V58-L126 HydrophobicContact CG1-CD1 4.37Å; V58-L126 HydrophobicContact CG1-CD2 4.24Å; K59-L126 HydrophobicContact CB-CD2 4.42Å; I62-L126 HydrophobicContact CD1-CB 4.35Å; I62-L126 VanDerWaalsContact CD1-O 3.29Å; I62-L126 WeakPolarHBondContact CD1-O 3.38Å; L87-L126 HydrophobicContact CD1-CD1 4.26Å; L87-L126 HydrophobicContact CD2-CD1 3.56Å; I92-L126 HydrophobicContact CG2-CD1 4.36Å; V122-L126 HydrophobicContact CG1-CD1 3.84Å; V122-L126 HydrophobicContact CG1-CG 4.38Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 3.38Å; F123-L126 PolarHBondContact O-N 2.98Å; L126-I128 HydrophobicContact CB-CD1 4.17Å; L126-I128 HydrophobicContact CB-CG1 4.04Å; L126-I128 HydrophobicContact CD1-CD1 4Å
127G97.8Very high98.1Very high23 Ų2322.6 Ų22.624%0.23713%0.129CC..THydrogen-bonded Turntrans87.126.9-173.800000113.9I62 F123 G124 Q129I62-G127 WeakPolarHBondContact CG2-O 3.46Å; F123-G127 PolarHBondContact O-N 3.38Å; G124-G127 PolarHBondContact O-N 2.82Å; G127-Q129 PolarHBondContact O-NE2 3.3Å; G127-Q129 PolarHBondContact O-OE1 3.06Å
128I98.5Very high98Very high5 Ų520.2 Ų20.23%0.02612%0.117CC..  trans-90.3129.6172.3-51.7174000107.8L45 I62 I75 F123 L126L45-I128 HydrophobicContact CD1-CD1 3.89Å; L45-I128 HydrophobicContact CD1-CG1 4.04Å; I62-I128 HydrophobicContact CD1-CG1 3.74Å; I75-I128 HydrophobicContact CG2-CB 4.46Å; I75-I128 HydrophobicContact CG2-CG1 4.2Å; I75-I128 HydrophobicContact CG2-CG2 4.4Å; I75-I128 WeakPolarHBondContact O-CG2 3.46Å; F123-I128 CarbonylContact C-O 3.5Å; F123-I128 HydrophobicContact CB-CB 4.1Å; F123-I128 HydrophobicContact CD2-CB 3.62Å; F123-I128 HydrophobicContact CD2-CG2 3.31Å; F123-I128 HydrophobicContact CE2-CB 4.26Å; F123-I128 HydrophobicContact CE2-CG2 3.51Å; F123-I128 HydrophobicContact CG-CB 3.94Å; F123-I128 HydrophobicContact CG-CG2 4.11Å; F123-I128 HydrophobicContact CZ-CG2 4.42Å; F123-I128 PolarHBondContact O-N 2.96Å; L126-I128 HydrophobicContact CB-CD1 4.17Å; L126-I128 HydrophobicContact CB-CG1 4.04Å; L126-I128 HydrophobicContact CD1-CD1 4Å
129Q98.1Very high97.8Very high33 Ų3317.3 Ų17.315%0.15411%0.106CC..  trans-108.1-20.3-178.2-56.68017.600113.4I75 G127 L174 G175 L330 L332I75-Q129 PolarHBondContact O-N 3.41Å; G127-Q129 PolarHBondContact O-NE2 3.3Å; G127-Q129 PolarHBondContact O-OE1 3.06Å; Q129-L174 WeakPolarHBondContact O-CD1 3.45Å; Q129-G175 PolarHBondContact O-N 3.06Å; Q129-L330 HydrophobicContact CB-CD1 4.12Å; Q129-L332 HydrophobicContact CG-CD1 4.19Å; Q129-L332 HydrophobicContact CG-CD2 3.86Å; Q129-L332 HydrophobicContact CG-CG 4.18Å
130L98.1Very high97.5Very high0 Ų021.3 Ų21.30%013%0.131CC..EExtended strand (participates in β ladder)trans-115121.2-176.6-56.3-167.5000111.5F74 I75 G76 S77 M132 M289 W326 L330F74-L130 HydrophobicContact CB-CD1 3.54Å; F74-L130 HydrophobicContact CB-CG 4.04Å; F74-L130 HydrophobicContact CD1-CD1 3.68Å; F74-L130 HydrophobicContact CD1-CD2 3.77Å; F74-L130 HydrophobicContact CD1-CG 3.84Å; F74-L130 HydrophobicContact CD2-CD1 4.4Å; F74-L130 HydrophobicContact CE1-CD1 4.43Å; F74-L130 HydrophobicContact CE1-CD2 4.16Å; F74-L130 HydrophobicContact CG-CD1 3.64Å; F74-L130 HydrophobicContact CG-CG 4.21Å; I75-L130 PolarHBondContact O-N 3.43Å; G76-L130 VanDerWaalsContact CA-O 3.23Å; G76-L130 WeakPolarHBondContact CA-O 3.37Å; S77-L130 PolarHBondContact N-O 2.91Å; L130-M132 HydrophobicContact CD1-CE 4.43Å; L130-M289 HydrophobicContact CD1-CE 4.38Å; L130-W326 HydrophobicContact CD1-CH2 3.74Å; L130-W326 HydrophobicContact CD1-CZ2 4.3Å; L130-W326 HydrophobicContact CD1-CZ3 4.02Å; L130-W326 HydrophobicContact CD2-CD2 4.49Å; L130-W326 HydrophobicContact CD2-CH2 3.68Å; L130-W326 HydrophobicContact CD2-CZ2 3.35Å; L130-W326 HydrophobicContact CD2-CZ3 4.35Å; L130-W326 HydrophobicContact CG-CH2 4.33Å; L130-W326 HydrophobicContact CG-CZ2 4.42Å; L130-L330 HydrophobicContact CD2-CD1 3.46Å; L130-L330 VanDerWaalsContact CD2-CD1 3.46Å
131G98Very high97.2Very high0 Ų024 Ų240%014%0.144CC..EExtended strand (participates in β ladder)trans-87.8123161.400000110.1F133 G175 T177G131-F133 VanDerWaalsContact CA-CD1 3.49Å; G131-F133 PolarHBondContact O-N 3.25Å; G131-G175 PolarHBondContact N-O 3.01Å; G131-T177 PolarHBondContact O-N 3.2Å; G131-T177 PolarHBondContact O-OG1 2.71Å
132M98.3Very high96.9Very high1 Ų121.9 Ų21.91%0.00514%0.141CC..  trans-79.249.4169.9-59.5-56.6179.900111.4M23 L44 S77 D78 L130 T177 K179 M224 M260M23-M132 HydrophobicContact CE-CE 3.2Å; M23-M132 HydrophobicContact CE-SD 4.43Å; M23-M132 HydrophobicContact SD-CE 3.12Å; M23-M132 WeakPolarHBondContact SD-CE 3.38Å; L44-M132 HydrophobicContact CD1-CE 3.88Å; L44-M132 HydrophobicContact CD1-CG 3.62Å; L44-M132 HydrophobicContact CD2-CG 4.43Å; S77-M132 PolarHBondContact O-N 2.74Å; D78-M132 HydrophobicContact CB-CB 4.16Å; L130-M132 HydrophobicContact CD1-CE 4.43Å; M132-T177 HydrophobicContact SD-CG2 4.2Å; M132-T177 PolarHBondContact SD-OG1 2.87Å; M132-K179 WeakPolarHBondContact O-CE 3.34Å; M132-K179 PolarHBondContact O-NZ 3.36Å; M132-M224 HydrophobicContact SD-CE 4.1Å; M132-M260 HydrophobicContact CE-SD 4.41Å; M132-M260 HydrophobicContact SD-SD 4.26Å
133F98.5Very high96.5Very high1 Ų129.3 Ų29.30%0.00418%0.175CC..  trans-155.3160.9-174.965.1-96.2000109.4E79 E80 K119 F123 G131 M169 L174 T177E79-F133 HydrophobicContact CB-CD1 3.97Å; E79-F133 HydrophobicContact CB-CE1 3.81Å; E79-F133 WeakPolarHBondContact O-CD1 3.23Å; E80-F133 HydrophobicContact CG-CB 4.29Å; K119-F133 HydrophobicContact CB-CZ 4.32Å; K119-F133 HydrophobicContact CD-CE1 4.47Å; K119-F133 HydrophobicContact CD-CE2 4.22Å; K119-F133 HydrophobicContact CD-CZ 3.93Å; F123-F133 HydrophobicContact CE2-CE1 4.16Å; F123-F133 AromaticContact CZ-CE1 3.87Å; F123-F133 HydrophobicContact CZ-CE1 3.87Å; G131-F133 VanDerWaalsContact CA-CD1 3.49Å; G131-F133 PolarHBondContact O-N 3.25Å; F133-M169 HydrophobicContact CD2-CE 3.85Å; F133-M169 HydrophobicContact CD2-SD 3.69Å; F133-M169 HydrophobicContact CE1-CE 4.26Å; F133-M169 HydrophobicContact CE2-CE 3.45Å; F133-M169 VanDerWaalsContact CE2-CE 3.45Å; F133-M169 HydrophobicContact CE2-CG 4.15Å; F133-M169 HydrophobicContact CE2-SD 3.45Å; F133-M169 WeakPolarHBondContact CE2-SD 3.49Å; F133-M169 HydrophobicContact CG-CE 4.42Å; F133-M169 HydrophobicContact CZ-CE 3.69Å; F133-M169 HydrophobicContact CZ-SD 4.28Å; F133-L174 HydrophobicContact CZ-CD2 3.84Å; F133-T177 CarbonylContact C-O 3.6Å; F133-T177 WeakPolarHBondContact CA-O 3.48Å; F133-T177 PolarHBondContact N-O 3.44Å; F133-T177 PolarHBondContact O-N 3Å; F133-T177 VanDerWaalsContact O-N 3.15Å; F133-T177 VanDerWaalsContact O-O 3.07Å
134P98.5Very high96.1Very high0 Ų029.8 Ų29.80%018%0.179CC..  cis-80154.58.935.3-38.7000114.6A136 Y161 V162 I178 K179P134-A136 PolarHBondContact O-N 3.49Å; P134-Y161 HydrophobicContact CB-CD1 4.35Å; P134-Y161 HydrophobicContact CB-CE1 3.59Å; P134-V162 HydrophobicContact CG-CB 4.41Å; P134-V162 HydrophobicContact CG-CG1 4.32Å; P134-V162 HydrophobicContact CG-CG2 4.15Å; P134-I178 HydrophobicContact CG-CG2 3.91Å; P134-I178 WeakPolarHBondContact O-CA 3.28Å; P134-K179 PolarHBondContact O-N 2.79Å
135D98.1Very high95.6Very high0 Ų030.9 Ų30.90%017%0.167CC..BIsolated β-bridgetrans-65.1123159.7-169.7-47.1000109.2E80 D137 R149 Y161 H180E80-D135 HydrophobicContact CG-CB 4.28Å; D135-D137 VanDerWaalsContact OD1-CB 3.23Å; D135-D137 WeakPolarHBondContact OD1-CB 3.45Å; D135-D137 PolarHBondContact OD1-N 2.82Å; D135-R149 IonicContact OD2-NE 3.19Å; D135-Y161 WeakPolarHBondContact O-CE1 3.16Å; D135-H180 IonicContact OD2-CE1 2.76Å
136A98.3Very high95.4Very high0 Ų027.1 Ų27.10%015%0.149CC..  trans-1065-176.600000112.3P134 V162 I178 K179 P211 F212P134-A136 PolarHBondContact O-N 3.49Å; A136-V162 HydrophobicContact CB-CG2 3.64Å; A136-I178 HydrophobicContact CB-CB 4.16Å; A136-K179 WeakPolarHBondContact CA-O 3.41Å; A136-K179 WeakPolarHBondContact CB-O 3.3Å; A136-K179 PolarHBondContact N-O 2.95Å; A136-P211 HydrophobicContact CB-CB 4.06Å; A136-P211 WeakPolarHBondContact O-CB 3.35Å; A136-F212 HydrophobicContact CB-CE1 4.35Å; A136-F212 HydrophobicContact CB-CE2 4.23Å; A136-F212 HydrophobicContact CB-CZ 4.01Å
137D97.5Very high95.3Very high0 Ų028.8 Ų28.80%016%0.155CC..  trans-69.3137179.4-65.5-47.2000111.2D135 I146 T150 H180 G183 Y184D135-D137 VanDerWaalsContact OD1-CB 3.23Å; D135-D137 WeakPolarHBondContact OD1-CB 3.45Å; D135-D137 PolarHBondContact OD1-N 2.82Å; D137-I146 HydrophobicContact CB-CG1 4.09Å; D137-I146 HydrophobicContact CB-CG2 4.34Å; D137-T150 HydrophobicContact CB-CG2 4.02Å; D137-T150 WeakPolarHBondContact O-CG2 3.39Å; D137-H180 PolarHBondContact OD1-N 2.89Å; D137-H180 IonicContact OD2-CE1 3.76Å; D137-H180 PolarHBondContact OD2-CE1 2.88Å; D137-H180 IonicContact OD2-CG 2.68Å; D137-H180 IonicContact OD2-ND1 2.89Å; D137-H180 PolarHBondContact OD2-ND1 3.45Å; D137-G183 WeakPolarHBondContact OD1-CA 3.23Å; D137-Y184 VanDerWaalsContact CG-CB 3.43Å; D137-Y184 WeakPolarHBondContact OD1-CB 3.18Å; D137-Y184 PolarHBondContact OD1-N 2.74Å; D137-Y184 WeakPolarHBondContact OD2-CB 3.18Å
138V96.4Very high95.2Very high9 Ų932.4 Ų32.46%0.05517%0.169CC..  trans-92.4105.9177.4-176.10000108.7A155 T158 P211V138-A155 HydrophobicContact CG1-CB 4.4Å; V138-A155 HydrophobicContact CG2-CB 4.19Å; V138-T158 HydrophobicContact CG2-CG2 4.3Å; V138-P211 HydrophobicContact CG2-CG 3.66Å
139S94.6Very high95.1Very high1 Ų133.3 Ų33.31%0.00717%0.173CC..  trans-135.9122.9175-167.10000111.5S144 Y147 G152S139-S144 VanDerWaalsContact OG-CB 3.24Å; S139-S144 WeakPolarHBondContact OG-CB 3.36Å; S139-S144 PolarHBondContact OG-OG 3.13Å; S139-Y147 WeakPolarHBondContact O-CD2 3.38Å; S139-G152 CarbonylContact O-C 3.53Å; S139-G152 WeakPolarHBondContact O-CA 3.47Å
140T91.4Very high95Very high89 Ų8931.8 Ų31.855%0.54617%0.165SC..  trans-115.9-5.2176.9550000112.8P142 M153 D154T140-P142 WeakPolarHBondContact O-CD 3.39Å; T140-M153 VanDerWaalsContact CG2-C 3.47Å; T140-M153 WeakPolarHBondContact CG2-O 3.47Å; T140-D154 HydrophobicContact CG2-CB 4.44Å
141D91.5Very high95Very high66 Ų6632 Ų3235%0.35317%0.167SC..  trans-93.5113.1177.6-179.62.5000109.8Q143 S144 Y147D141-Q143 PolarHBondContact O-N 3.06Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.25Å; D141-Q143 PolarHBondContact OD1-N 3.35Å; D141-S144 VanDerWaalsContact O-CB 3.29Å; D141-S144 WeakPolarHBondContact O-CB 3.26Å; D141-S144 PolarHBondContact O-N 2.94Å; D141-Y147 WeakPolarHBondContact O-CB 3.43Å; D141-Y147 WeakPolarHBondContact O-CD2 3.48Å
142P91.7Very high94.9Very high78 Ų7832.9 Ų32.951%0.50618%0.175SC..THydrogen-bonded Turntrans-61.8-9.6177.3-2234.3000115T140 Y147T140-P142 WeakPolarHBondContact O-CD 3.39Å; P142-Y147 HydrophobicContact CB-CD1 4.14Å; P142-Y147 HydrophobicContact CB-CE1 3.94Å; P142-Y147 HydrophobicContact CG-CE1 4.13Å; P142-Y147 HydrophobicContact CG-CE2 4.43Å
143Q89.9Confident94.9Very high166 Ų16634.6 Ų34.678%0.77618%0.184SC*.THydrogen-bonded Turntrans-92.7-8.7173.7-58.1-58.1-78.800113.1D141D141-Q143 PolarHBondContact O-N 3.06Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.25Å; D141-Q143 PolarHBondContact OD1-N 3.35Å
144S89.3Confident94.8Very high12 Ų1239 Ų398%0.08421%0.207CC..SBendtrans-67.5139.5174.7178.60000110.6S139 D141 I146 Y147 G185 N186S139-S144 VanDerWaalsContact OG-CB 3.24Å; S139-S144 WeakPolarHBondContact OG-CB 3.36Å; S139-S144 PolarHBondContact OG-OG 3.13Å; D141-S144 VanDerWaalsContact O-CB 3.29Å; D141-S144 WeakPolarHBondContact O-CB 3.26Å; D141-S144 PolarHBondContact O-N 2.94Å; S144-I146 PolarHBondContact O-N 3.44Å; S144-Y147 VanDerWaalsContact O-CB 3.3Å; S144-Y147 WeakPolarHBondContact O-CB 3.41Å; S144-Y147 PolarHBondContact O-N 3.37Å; S144-Y147 VanDerWaalsContact O-N 3.12Å; S144-G185 PolarHBondContact OG-O 3.32Å; S144-N186 WeakPolarHBondContact CB-OD1 3.37Å; S144-N186 PolarHBondContact OG-OD1 3.12Å
145F88.3Confident94.7Very high82 Ų8239.4 Ų39.436%0.3621%0.211SC..THydrogen-bonded Turntrans-53.4-41.6178162.6-102.1000112.7Y147 Y184 D189F145-Y147 VanDerWaalsContact C-N 3.33Å; F145-Y184 HydrophobicContact CD1-CD1 4.4Å; F145-Y184 AromaticContact CD1-CE1 3.76Å; F145-Y184 HydrophobicContact CD1-CE1 3.76Å; F145-Y184 HydrophobicContact CE1-CE1 4.24Å; F145-D189 HydrophobicContact CD1-CB 4.26Å; F145-D189 HydrophobicContact CD2-CB 3.81Å; F145-D189 HydrophobicContact CE1-CB 4.06Å; F145-D189 HydrophobicContact CE2-CB 3.58Å; F145-D189 WeakPolarHBondContact CE2-OD2 2.98Å; F145-D189 HydrophobicContact CG-CB 4.14Å; F145-D189 HydrophobicContact CZ-CB 3.72Å; F145-D189 VanDerWaalsContact CZ-OD1 3.3Å; F145-D189 WeakPolarHBondContact CZ-OD1 3.35Å; F145-D189 WeakPolarHBondContact CZ-OD2 3.05Å
146I92.6Very high94.8Very high0 Ų042.8 Ų42.80%024%0.239CC..THydrogen-bonded Turntrans-81.3-14.6-174.7-156.374.2000112.3D137 S144 D148 R149 T150 Y184 G185D137-I146 HydrophobicContact CB-CG1 4.09Å; D137-I146 HydrophobicContact CB-CG2 4.34Å; S144-I146 PolarHBondContact O-N 3.44Å; I146-D148 PolarHBondContact O-N 2.8Å; I146-R149 VanDerWaalsContact CD1-NH1 3.26Å; I146-R149 WeakPolarHBondContact O-CB 2.98Å; I146-R149 PolarHBondContact O-N 2.55Å; I146-T150 HydrophobicContact CG1-CG2 4.11Å; I146-T150 HydrophobicContact CG2-CG2 4Å; I146-T150 WeakPolarHBondContact O-CG2 3.47Å; I146-T150 PolarHBondContact O-N 2.91Å; I146-Y184 HydrophobicContact CB-CD1 4.25Å; I146-Y184 HydrophobicContact CD1-CG 4.36Å; I146-G185 WeakPolarHBondContact CG2-O 3.25Å
147Y95.1Very high94.8Very high38 Ų3843.3 Ų43.315%0.14924%0.244CC..G310 helixtrans-51.4-51.1-165.5-177.6-100.6000113.7Q101 S139 D141 P142 S144 F145 R149 T150Q101-Y147 PolarHBondContact NE2-O 3.27Å; S139-Y147 WeakPolarHBondContact O-CD2 3.38Å; D141-Y147 WeakPolarHBondContact O-CB 3.43Å; D141-Y147 WeakPolarHBondContact O-CD2 3.48Å; P142-Y147 HydrophobicContact CB-CD1 4.14Å; P142-Y147 HydrophobicContact CB-CE1 3.94Å; P142-Y147 HydrophobicContact CG-CE1 4.13Å; P142-Y147 HydrophobicContact CG-CE2 4.43Å; S144-Y147 VanDerWaalsContact O-CB 3.3Å; S144-Y147 WeakPolarHBondContact O-CB 3.41Å; S144-Y147 PolarHBondContact O-N 3.37Å; S144-Y147 VanDerWaalsContact O-N 3.12Å; F145-Y147 VanDerWaalsContact C-N 3.33Å; Y147-R149 PolarHBondContact O-N 3.13Å; Y147-R149 VanDerWaalsContact O-N 3.1Å; Y147-T150 PolarHBondContact O-N 3.4Å; Y147-T150 PolarHBondContact O-OG1 3.21Å
148D95.6Very high94.8Very high99 Ų9943.3 Ų43.353%0.52924%0.244SC..G310 helixtrans-63.8-17.3-176.3-72.9-17.1000114.2I146I146-D148 PolarHBondContact O-N 2.8Å
149R96.7Very high94.9Very high25 Ų2543.8 Ų43.89%0.09425%0.248CC..G310 helixtrans-87.7-28.9175.9-67.9172.961.5-167.81.7112.7E80 V84 D135 I146 Y147 H180E80-R149 IonicContact OE1-CZ 3.29Å; E80-R149 IonicContact OE1-NE 3.21Å; E80-R149 PolarHBondContact OE1-NE 3.17Å; E80-R149 IonicContact OE1-NH2 3.73Å; E80-R149 PolarHBondContact OE1-NH2 3.42Å; E80-R149 VanDerWaalsContact OE2-CB 3.29Å; E80-R149 WeakPolarHBondContact OE2-CB 3.28Å; E80-R149 WeakPolarHBondContact OE2-CG 3.31Å; E80-R149 IonicContact OE2-CZ 2.87Å; E80-R149 IonicContact OE2-NE 2.65Å; E80-R149 PolarHBondContact OE2-NE 3.33Å; E80-R149 IonicContact OE2-NH2 2.77Å; V84-R149 HydrophobicContact CG2-CG 3.98Å; D135-R149 IonicContact OD2-NE 3.19Å; I146-R149 VanDerWaalsContact CD1-NH1 3.26Å; I146-R149 WeakPolarHBondContact O-CB 2.98Å; I146-R149 PolarHBondContact O-N 2.55Å; Y147-R149 PolarHBondContact O-N 3.13Å; Y147-R149 VanDerWaalsContact O-N 3.1Å; R149-H180 PolarHBondContact NH2-CE1 3.49Å; R149-H180 PolarHBondContact NH2-NE2 2.96Å; R149-H180 VanDerWaalsContact NH2-NE2 3.16Å
150T96.9Very high95.1Very high0 Ų047.7 Ų47.70%027%0.266CS..SBendtrans-79.8175-177.973.70000113.1Q101 D137 I146 Y147 G152Q101-T150 WeakPolarHBondContact CG-O 3.37Å; Q101-T150 PolarHBondContact NE2-O 2.8Å; D137-T150 HydrophobicContact CB-CG2 4.02Å; D137-T150 WeakPolarHBondContact O-CG2 3.39Å; I146-T150 HydrophobicContact CG1-CG2 4.11Å; I146-T150 HydrophobicContact CG2-CG2 4Å; I146-T150 WeakPolarHBondContact O-CG2 3.47Å; I146-T150 PolarHBondContact O-N 2.91Å; Y147-T150 PolarHBondContact O-N 3.4Å; Y147-T150 PolarHBondContact O-OG1 3.21Å; T150-G152 PolarHBondContact O-N 2.92Å; T150-G152 PolarHBondContact OG1-N 3.14Å
151I97.9Very high95.5Very high6 Ų643.8 Ų43.83%0.03124%0.241CC..  trans-72.9-6.3167.1-165.160.7000113.3P100 Q101 Y104 I112 M153 T158 Y161P100-I151 HydrophobicContact CB-CB 4.35Å; P100-I151 HydrophobicContact CB-CD1 3.65Å; P100-I151 WeakPolarHBondContact O-CD1 3.48Å; Q101-I151 WeakPolarHBondContact CG-O 3.37Å; Y104-I151 HydrophobicContact CG-CD1 4.45Å; I112-I151 HydrophobicContact CD1-CD1 3.94Å; I151-M153 VanDerWaalsContact C-N 3.28Å; I151-M153 HydrophobicContact CG1-CE 4.1Å; I151-M153 HydrophobicContact CG1-CG 4.27Å; I151-M153 HydrophobicContact CG1-SD 4.12Å; I151-M153 HydrophobicContact CG2-CB 4Å; I151-M153 HydrophobicContact CG2-CG 4.17Å; I151-M153 PolarHBondContact O-N 3.09Å; I151-T158 HydrophobicContact CG2-CG2 4.38Å; I151-T158 WeakPolarHBondContact CG2-OG1 3.45Å; I151-Y161 HydrophobicContact CB-CD1 3.9Å; I151-Y161 HydrophobicContact CB-CD2 4.39Å; I151-Y161 HydrophobicContact CB-CE1 4.41Å; I151-Y161 HydrophobicContact CB-CG 3.88Å; I151-Y161 HydrophobicContact CD1-CD2 4.03Å; I151-Y161 HydrophobicContact CD1-CE2 4.43Å; I151-Y161 HydrophobicContact CD1-CG 4.33Å; I151-Y161 HydrophobicContact CG1-CD2 4.21Å; I151-Y161 HydrophobicContact CG1-CG 4.01Å; I151-Y161 HydrophobicContact CG2-CD1 4.12Å; I151-Y161 HydrophobicContact CG2-CG 4.2Å
152G96.5Very high95.8Very high18 Ų1840.7 Ų40.719%0.18622%0.224CC..  trans68.721.5176.800000114.6S139 T150S139-G152 CarbonylContact O-C 3.53Å; S139-G152 WeakPolarHBondContact O-CA 3.47Å; T150-G152 PolarHBondContact O-N 2.92Å; T150-G152 PolarHBondContact OG1-N 3.14Å
153M96.7Very high96.2Very high36 Ų3641.4 Ų41.418%0.17722%0.22CC..  trans-114.1169-177.1-61.8-176.7-176.900112.3Y104 W109 T140 I151 T158Y104-M153 HydrophobicContact CD1-CE 3.34Å; Y104-M153 HydrophobicContact CD2-CE 3.87Å; Y104-M153 HydrophobicContact CE1-CE 3.15Å; Y104-M153 HydrophobicContact CE2-CE 3.71Å; Y104-M153 HydrophobicContact CG-CE 3.69Å; W109-M153 HydrophobicContact CH2-CE 4.22Å; W109-M153 HydrophobicContact CH2-SD 3.87Å; W109-M153 HydrophobicContact CZ2-CE 4.48Å; W109-M153 HydrophobicContact CZ2-SD 4.26Å; T140-M153 VanDerWaalsContact CG2-C 3.47Å; T140-M153 WeakPolarHBondContact CG2-O 3.47Å; I151-M153 VanDerWaalsContact C-N 3.28Å; I151-M153 HydrophobicContact CG1-CE 4.1Å; I151-M153 HydrophobicContact CG1-CG 4.27Å; I151-M153 HydrophobicContact CG1-SD 4.12Å; I151-M153 HydrophobicContact CG2-CB 4Å; I151-M153 HydrophobicContact CG2-CG 4.17Å; I151-M153 PolarHBondContact O-N 3.09Å; M153-T158 PolarHBondContact O-OG1 3.26Å
154D96.6Very high96.6Very high93 Ų9334 Ų3450%0.49719%0.186SC..  trans-66.8175.2169.96721.1000112.3T140 A156 G157 T158T140-D154 HydrophobicContact CG2-CB 4.44Å; D154-A156 PolarHBondContact O-N 3.32Å; D154-A156 VanDerWaalsContact O-N 3.1Å; D154-A156 WeakPolarHBondContact OD1-CB 3.44Å; D154-A156 PolarHBondContact OD1-N 3.12Å; D154-G157 PolarHBondContact O-N 3.3Å; D154-G157 VanDerWaalsContact O-N 3.09Å; D154-G157 PolarHBondContact OD1-N 3.43Å; D154-T158 PolarHBondContact O-N 3.38Å; D154-T158 PolarHBondContact O-OG1 2.86Å
155A97.7Very high97Very high9 Ų933.5 Ų33.57%0.07418%0.182CC..Hα-helixtrans-55.3-32.1-178.400000113.8V138 S159 N207 L210V138-A155 HydrophobicContact CG1-CB 4.4Å; V138-A155 HydrophobicContact CG2-CB 4.19Å; A155-S159 WeakPolarHBondContact O-CB 3.34Å; A155-S159 PolarHBondContact O-N 3.26Å; A155-S159 PolarHBondContact O-OG 3.45Å; A155-N207 WeakPolarHBondContact CB-O 3.4Å; A155-N207 WeakPolarHBondContact CB-OD1 3.42Å; A155-L210 HydrophobicContact CB-CB 4.41Å; A155-L210 HydrophobicContact CB-CD1 3.98Å
156A98.5Very high97.5Very high71 Ų7129.6 Ų29.659%0.58717%0.165SC*.Hα-helixtrans-72.6-44.3178.300000111.3D154 S159 H160D154-A156 PolarHBondContact O-N 3.32Å; D154-A156 VanDerWaalsContact O-N 3.1Å; D154-A156 WeakPolarHBondContact OD1-CB 3.44Å; D154-A156 PolarHBondContact OD1-N 3.12Å; A156-S159 PolarHBondContact O-N 3.12Å; A156-H160 PolarHBondContact O-N 3.28Å
157G98.5Very high97.8Very high11 Ų1133.2 Ų33.211%0.11318%0.182CC..Hα-helixtrans-63.7-45.9174.600000112.5D154 S159 H160 Y161D154-G157 PolarHBondContact O-N 3.3Å; D154-G157 VanDerWaalsContact O-N 3.09Å; D154-G157 PolarHBondContact OD1-N 3.43Å; G157-S159 PolarHBondContact O-N 2.82Å; G157-H160 WeakPolarHBondContact O-CB 3.46Å; G157-H160 PolarHBondContact O-N 2.63Å; G157-Y161 PolarHBondContact O-N 2.99Å
158T98.5Very high98Very high0 Ų032.3 Ų32.30%018%0.179CC..Hα-helixtrans-63.9-39.7175.7-55.90000111.8V138 I151 M153 D154 H160 Y161 V162 P211V138-T158 HydrophobicContact CG2-CG2 4.3Å; I151-T158 HydrophobicContact CG2-CG2 4.38Å; I151-T158 WeakPolarHBondContact CG2-OG1 3.45Å; M153-T158 PolarHBondContact O-OG1 3.26Å; D154-T158 PolarHBondContact O-N 3.38Å; D154-T158 PolarHBondContact O-OG1 2.86Å; T158-H160 VanDerWaalsContact C-N 3.29Å; T158-H160 PolarHBondContact O-N 2.93Å; T158-Y161 WeakPolarHBondContact O-CB 3.46Å; T158-Y161 PolarHBondContact O-N 3.43Å; T158-V162 HydrophobicContact CG2-CG2 4.42Å; T158-V162 WeakPolarHBondContact O-CG2 3.44Å; T158-V162 PolarHBondContact O-N 3.27Å; T158-P211 HydrophobicContact CG2-CB 3.97Å; T158-P211 HydrophobicContact CG2-CG 3.64Å
159S98.8Very high98.2Very high19 Ų1927.6 Ų27.613%0.13315%0.153CC..Hα-helixtrans-60.4-39.4173.2-64.80000112.5A155 A156 G157 K163 L210A155-S159 WeakPolarHBondContact O-CB 3.34Å; A155-S159 PolarHBondContact O-N 3.26Å; A155-S159 PolarHBondContact O-OG 3.45Å; A156-S159 PolarHBondContact O-N 3.12Å; G157-S159 PolarHBondContact O-N 2.82Å; S159-K163 VanDerWaalsContact O-CB 3.28Å; S159-K163 WeakPolarHBondContact O-CB 3.27Å; S159-K163 PolarHBondContact O-N 2.83Å; S159-L210 PolarHBondContact OG-O 2.88Å
160H98.8Very high98.2Very high84 Ų8431.7 Ų31.739%0.38917%0.172SC..Hα-helixtrans-67.5-43.6175.9-169.488.8000111.8W109 A156 G157 T158 K163 L164W109-H160 AromaticContact CD2-CD2 3.46Å; W109-H160 VanDerWaalsContact CD2-CD2 3.46Å; W109-H160 AromaticContact CD2-NE2 3.75Å; W109-H160 AromaticContact CE2-CD2 3.34Å; W109-H160 AromaticContact CE2-NE2 3.78Å; W109-H160 AromaticContact CE3-CD2 3.61Å; W109-H160 AromaticContact CG-NE2 4Å; W109-H160 HydrophobicContact CH2-CB 4.03Å; W109-H160 AromaticContact CH2-CD2 3.58Å; W109-H160 HydrophobicContact CZ2-CB 4.14Å; W109-H160 AromaticContact CZ2-CD2 3.42Å; W109-H160 VanDerWaalsContact CZ2-CD2 3.42Å; W109-H160 WeakPolarHBondContact CZ2-CD2 3.35Å; W109-H160 AromaticContact CZ2-CG 3.95Å; W109-H160 AromaticContact CZ3-CD2 3.67Å; W109-H160 AromaticContact NE1-CD2 3.99Å; W109-H160 AromaticContact NE1-NE2 3.99Å; A156-H160 PolarHBondContact O-N 3.28Å; G157-H160 WeakPolarHBondContact O-CB 3.46Å; G157-H160 PolarHBondContact O-N 2.63Å; T158-H160 VanDerWaalsContact C-N 3.29Å; T158-H160 PolarHBondContact O-N 2.93Å; H160-K163 PolarHBondContact O-N 3.22Å; H160-L164 VanDerWaalsContact O-CB 3.25Å; H160-L164 WeakPolarHBondContact O-CB 3.43Å; H160-L164 PolarHBondContact O-N 3.35Å
161Y98.8Very high98.2Very high7 Ų738 Ų383%0.02720%0.199CC..Hα-helixtrans-58-49.6175.5170.6-115.9000112P100 I112 P134 D135 I151 G157 T158 L164 S165P100-Y161 HydrophobicContact CB-CE2 4.04Å; P100-Y161 HydrophobicContact CG-CE2 4.46Å; P100-Y161 WeakPolarHBondContact CG-OH 3.28Å; I112-Y161 HydrophobicContact CD1-CD2 4.37Å; I112-Y161 HydrophobicContact CD1-CE2 4.15Å; I112-Y161 HydrophobicContact CG1-CD2 4.48Å; I112-Y161 HydrophobicContact CG2-CD2 3.9Å; I112-Y161 HydrophobicContact CG2-CE2 3.71Å; P134-Y161 HydrophobicContact CB-CD1 4.35Å; P134-Y161 HydrophobicContact CB-CE1 3.59Å; D135-Y161 WeakPolarHBondContact O-CE1 3.16Å; I151-Y161 HydrophobicContact CB-CD1 3.9Å; I151-Y161 HydrophobicContact CB-CD2 4.39Å; I151-Y161 HydrophobicContact CB-CE1 4.41Å; I151-Y161 HydrophobicContact CB-CG 3.88Å; I151-Y161 HydrophobicContact CD1-CD2 4.03Å; I151-Y161 HydrophobicContact CD1-CE2 4.43Å; I151-Y161 HydrophobicContact CD1-CG 4.33Å; I151-Y161 HydrophobicContact CG1-CD2 4.21Å; I151-Y161 HydrophobicContact CG1-CG 4.01Å; I151-Y161 HydrophobicContact CG2-CD1 4.12Å; I151-Y161 HydrophobicContact CG2-CG 4.2Å; G157-Y161 PolarHBondContact O-N 2.99Å; T158-Y161 WeakPolarHBondContact O-CB 3.46Å; T158-Y161 PolarHBondContact O-N 3.43Å; Y161-L164 PolarHBondContact O-N 2.92Å; Y161-S165 WeakPolarHBondContact CE2-OG 3.35Å; Y161-S165 VanDerWaalsContact O-CB 3.3Å; Y161-S165 WeakPolarHBondContact O-CB 3.29Å; Y161-S165 PolarHBondContact O-N 2.88Å; Y161-S165 PolarHBondContact O-OG 3.43Å
162V98.9Very high98.1Very high0 Ų042.1 Ų42.10%022%0.218CC..Hα-helixtrans-62.1-49.6178.9169.40000111P134 A136 T158 L164 S165 V166 I178 P211P134-V162 HydrophobicContact CG-CB 4.41Å; P134-V162 HydrophobicContact CG-CG1 4.32Å; P134-V162 HydrophobicContact CG-CG2 4.15Å; A136-V162 HydrophobicContact CB-CG2 3.64Å; T158-V162 HydrophobicContact CG2-CG2 4.42Å; T158-V162 WeakPolarHBondContact O-CG2 3.44Å; T158-V162 PolarHBondContact O-N 3.27Å; V162-L164 PolarHBondContact O-N 3.12Å; V162-S165 PolarHBondContact O-N 3.24Å; V162-V166 HydrophobicContact CG1-CG2 4.31Å; V162-V166 WeakPolarHBondContact O-CB 3.48Å; V162-V166 WeakPolarHBondContact O-CG2 3.28Å; V162-V166 PolarHBondContact O-N 3.18Å; V162-I178 HydrophobicContact CG1-CG2 3.59Å; V162-P211 WeakPolarHBondContact CG1-O 3.45Å; V162-P211 HydrophobicContact CG2-CB 4Å
163K98.9Very high98.1Very high93 Ų9348.6 Ų48.640%0.40424%0.241SC..Hα-helixtrans-55.6-52.8177.9175.6-176.6175.3-170.60111.5S159 H160 S165 V166 E167 A214 A218S159-K163 VanDerWaalsContact O-CB 3.28Å; S159-K163 WeakPolarHBondContact O-CB 3.27Å; S159-K163 PolarHBondContact O-N 2.83Å; H160-K163 PolarHBondContact O-N 3.22Å; K163-S165 VanDerWaalsContact C-N 3.27Å; K163-S165 PolarHBondContact O-N 3.08Å; K163-V166 PolarHBondContact O-N 2.67Å; K163-E167 VanDerWaalsContact CE-CD 3.46Å; K163-E167 WeakPolarHBondContact CE-OE1 3.04Å; K163-E167 HydrophobicContact CG-CG 4.44Å; K163-E167 IonicContact NZ-OE1 3.56Å; K163-E167 WeakPolarHBondContact O-CB 3.5Å; K163-E167 WeakPolarHBondContact O-CG 3.33Å; K163-E167 PolarHBondContact O-N 2.8Å; K163-A214 HydrophobicContact CB-CB 4.46Å; K163-A218 HydrophobicContact CG-CB 4.12Å
164L98.8Very high98.2Very high12 Ų1247.2 Ų47.26%0.06324%0.235CC..Hα-helixtrans-58.6-43.8-179.1176.8159.6000110.4W109 I112 K113 I116 H160 Y161 V162 E167 E168W109-L164 HydrophobicContact CB-CD1 3.94Å; W109-L164 HydrophobicContact CD2-CD1 4.45Å; W109-L164 HydrophobicContact CE3-CD1 4.09Å; W109-L164 HydrophobicContact CG-CD1 4.44Å; I112-L164 HydrophobicContact CB-CD2 4.16Å; I112-L164 HydrophobicContact CG2-CD2 3.62Å; K113-L164 HydrophobicContact CG-CD1 4.06Å; K113-L164 HydrophobicContact CG-CD2 3.73Å; K113-L164 HydrophobicContact CG-CG 4.05Å; I116-L164 HydrophobicContact CD1-CD2 4.31Å; H160-L164 VanDerWaalsContact O-CB 3.25Å; H160-L164 WeakPolarHBondContact O-CB 3.43Å; H160-L164 PolarHBondContact O-N 3.35Å; Y161-L164 PolarHBondContact O-N 2.92Å; V162-L164 PolarHBondContact O-N 3.12Å; L164-E167 PolarHBondContact O-N 2.78Å; L164-E168 WeakPolarHBondContact O-CB 3.28Å; L164-E168 PolarHBondContact O-N 2.99Å
165S98.8Very high98.3Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-64.9-48.4-177.6-57.40000111.9I116 Y161 V162 K163 E167 E168 M169I116-S165 WeakPolarHBondContact CD1-OG 3.42Å; Y161-S165 WeakPolarHBondContact CE2-OG 3.35Å; Y161-S165 VanDerWaalsContact O-CB 3.3Å; Y161-S165 WeakPolarHBondContact O-CB 3.29Å; Y161-S165 PolarHBondContact O-N 2.88Å; Y161-S165 PolarHBondContact O-OG 3.43Å; V162-S165 PolarHBondContact O-N 3.24Å; K163-S165 VanDerWaalsContact C-N 3.27Å; K163-S165 PolarHBondContact O-N 3.08Å; S165-E167 PolarHBondContact O-N 3.14Å; S165-E168 PolarHBondContact O-N 3.41Å; S165-M169 WeakPolarHBondContact O-CB 3.37Å; S165-M169 WeakPolarHBondContact O-CG 3.09Å; S165-M169 PolarHBondContact O-N 3.48Å
166V98.8Very high98.3Very high0 Ų042.4 Ų42.40%021%0.208CC..Hα-helixtrans-60.2-46.4176.9169.90000111.3V162 K163 E168 M169 K170 I178 A218 V220V162-V166 HydrophobicContact CG1-CG2 4.31Å; V162-V166 WeakPolarHBondContact O-CB 3.48Å; V162-V166 WeakPolarHBondContact O-CG2 3.28Å; V162-V166 PolarHBondContact O-N 3.18Å; K163-V166 PolarHBondContact O-N 2.67Å; V166-E168 VanDerWaalsContact C-N 3.31Å; V166-E168 PolarHBondContact O-N 3.06Å; V166-M169 PolarHBondContact O-N 2.93Å; V166-K170 VanDerWaalsContact O-CB 3.23Å; V166-K170 WeakPolarHBondContact O-CB 3.43Å; V166-K170 PolarHBondContact O-N 2.79Å; V166-I178 HydrophobicContact CG2-CG2 4.02Å; V166-A218 HydrophobicContact CB-CB 3.89Å; V166-A218 HydrophobicContact CG1-CB 3.61Å; V166-V220 HydrophobicContact CG1-CB 3.97Å; V166-V220 HydrophobicContact CG2-CB 3.94Å; V166-V220 HydrophobicContact CG2-CG2 3.9Å
167E98.7Very high98.3Very high77 Ų7739 Ų3936%0.3618%0.18SC..Hα-helixtrans-61.9-38178.5-74.4178166.400112.1K163 L164 S165 K171 A218K163-E167 VanDerWaalsContact CE-CD 3.46Å; K163-E167 WeakPolarHBondContact CE-OE1 3.04Å; K163-E167 HydrophobicContact CG-CG 4.44Å; K163-E167 IonicContact NZ-OE1 3.56Å; K163-E167 WeakPolarHBondContact O-CB 3.5Å; K163-E167 WeakPolarHBondContact O-CG 3.33Å; K163-E167 PolarHBondContact O-N 2.8Å; L164-E167 PolarHBondContact O-N 2.78Å; S165-E167 PolarHBondContact O-N 3.14Å; E167-K171 VanDerWaalsContact O-CG 3.32Å; E167-K171 WeakPolarHBondContact O-CG 3.48Å; E167-K171 PolarHBondContact O-N 2.76Å; E167-A218 HydrophobicContact CG-CB 4.06Å
168E98.6Very high98.3Very high18 Ų1838.5 Ų38.58%0.08417%0.174CC..Hα-helixtrans-73.9-45.7179-156.661.2-121.600112I116 L164 S165 V166 K170 K171 Q172I116-E168 HydrophobicContact CB-CB 4.42Å; I116-E168 HydrophobicContact CB-CG 4.28Å; I116-E168 HydrophobicContact CG2-CB 3.88Å; I116-E168 HydrophobicContact CG2-CG 3.96Å; L164-E168 WeakPolarHBondContact O-CB 3.28Å; L164-E168 PolarHBondContact O-N 2.99Å; S165-E168 PolarHBondContact O-N 3.41Å; V166-E168 VanDerWaalsContact C-N 3.31Å; V166-E168 PolarHBondContact O-N 3.06Å; E168-K170 VanDerWaalsContact C-N 3.26Å; E168-K170 PolarHBondContact O-N 3.18Å; E168-K171 PolarHBondContact O-N 2.79Å; E168-K171 WeakPolarHBondContact OE1-CD 3.25Å; E168-K171 IonicContact OE1-NZ 2.7Å; E168-K171 IonicContact OE2-NZ 3.81Å; E168-K171 PolarHBondContact OE2-NZ 3.04Å; E168-Q172 WeakPolarHBondContact O-CG 3.41Å; E168-Q172 PolarHBondContact O-N 3.42Å
169M98.6Very high98.3Very high0 Ų038.6 Ų38.60%018%0.175CC..Hα-helixtrans-56.9-42.1174.9-68.3175.277.300111.4I116 F133 S165 V166 K171 Q172 K173 L174 G175I116-M169 HydrophobicContact CG2-CG 3.66Å; F133-M169 HydrophobicContact CD2-CE 3.85Å; F133-M169 HydrophobicContact CD2-SD 3.69Å; F133-M169 HydrophobicContact CE1-CE 4.26Å; F133-M169 HydrophobicContact CE2-CE 3.45Å; F133-M169 VanDerWaalsContact CE2-CE 3.45Å; F133-M169 HydrophobicContact CE2-CG 4.15Å; F133-M169 HydrophobicContact CE2-SD 3.45Å; F133-M169 WeakPolarHBondContact CE2-SD 3.49Å; F133-M169 HydrophobicContact CG-CE 4.42Å; F133-M169 HydrophobicContact CZ-CE 3.69Å; F133-M169 HydrophobicContact CZ-SD 4.28Å; S165-M169 WeakPolarHBondContact O-CB 3.37Å; S165-M169 WeakPolarHBondContact O-CG 3.09Å; S165-M169 PolarHBondContact O-N 3.48Å; V166-M169 PolarHBondContact O-N 2.93Å; M169-K171 PolarHBondContact O-N 3.27Å; M169-Q172 CarbonylContact O-C 3.6Å; M169-Q172 PolarHBondContact O-N 3.26Å; M169-Q172 VanDerWaalsContact O-N 3.11Å; M169-K173 PolarHBondContact O-N 3.24Å; M169-K173 VanDerWaalsContact O-N 3.13Å; M169-L174 CarbonylContact C-O 3.56Å; M169-L174 HydrophobicContact CB-CB 4.26Å; M169-L174 HydrophobicContact CE-CD2 3.71Å; M169-L174 HydrophobicContact CE-CG 3.75Å; M169-L174 HydrophobicContact CG-CD2 4.17Å; M169-L174 PolarHBondContact O-N 2.77Å; M169-G175 VanDerWaalsContact CE-O 3.28Å; M169-G175 WeakPolarHBondContact CE-O 3.46Å
170K97.7Very high98.3Very high111 Ų11137.9 Ų37.948%0.48317%0.169SC..Hα-helixtrans-62.2-40.6178.1-172.7168.8-165.5148.30113.3V166 E168 Q172 K173 G219V166-K170 VanDerWaalsContact O-CB 3.23Å; V166-K170 WeakPolarHBondContact O-CB 3.43Å; V166-K170 PolarHBondContact O-N 2.79Å; E168-K170 VanDerWaalsContact C-N 3.26Å; E168-K170 PolarHBondContact O-N 3.18Å; K170-Q172 PolarHBondContact O-N 2.85Å; K170-K173 PolarHBondContact O-N 3.46Å; K170-K173 VanDerWaalsContact O-N 3.12Å; K170-G219 PolarHBondContact NZ-O 3.05Å
171K97.4Very high98.2Very high133 Ų13333.9 Ų33.958%0.57815%0.151SC*.Hα-helixtrans-60.2-34.3175.5-68.8164.9-161166.90111.7E167 E168 M169 K173E167-K171 VanDerWaalsContact O-CG 3.32Å; E167-K171 WeakPolarHBondContact O-CG 3.48Å; E167-K171 PolarHBondContact O-N 2.76Å; E168-K171 PolarHBondContact O-N 2.79Å; E168-K171 WeakPolarHBondContact OE1-CD 3.25Å; E168-K171 IonicContact OE1-NZ 2.7Å; E168-K171 IonicContact OE2-NZ 3.81Å; E168-K171 PolarHBondContact OE2-NZ 3.04Å; M169-K171 PolarHBondContact O-N 3.27Å; K171-K173 VanDerWaalsContact C-N 3.33Å
172Q96.2Very high98.2Very high92 Ų9233.5 Ų33.543%0.4315%0.15SC..THydrogen-bonded Turntrans-87.20.1-179.7-53.9-64.4-600113.5D117 A120 E168 M169 K170 L174D117-Q172 PolarHBondContact OD1-NE2 2.82Å; A120-Q172 HydrophobicContact CB-CB 3.52Å; A120-Q172 HydrophobicContact CB-CG 3.71Å; E168-Q172 WeakPolarHBondContact O-CG 3.41Å; E168-Q172 PolarHBondContact O-N 3.42Å; M169-Q172 CarbonylContact O-C 3.6Å; M169-Q172 PolarHBondContact O-N 3.26Å; M169-Q172 VanDerWaalsContact O-N 3.11Å; K170-Q172 PolarHBondContact O-N 2.85Å; Q172-L174 PolarHBondContact O-N 2.84Å
173K95.7Very high97.9Very high154 Ų15433.6 Ų33.667%0.6715%0.15SC*.THydrogen-bonded Turntrans55.235-171.8-54.7-176.6178.6-175.20113.2M169 K170 K171 L330M169-K173 PolarHBondContact O-N 3.24Å; M169-K173 VanDerWaalsContact O-N 3.13Å; K170-K173 PolarHBondContact O-N 3.46Å; K170-K173 VanDerWaalsContact O-N 3.12Å; K171-K173 VanDerWaalsContact C-N 3.33Å; K173-L330 WeakPolarHBondContact O-CD2 3.49Å
174L98.3Very high97.1Very high8 Ų829.4 Ų29.44%0.04213%0.132CC..  trans-94.7125.5171.1178.364.3000108.5A120 F123 Q129 F133 M169 Q172 S176A120-L174 HydrophobicContact CB-CB 4.42Å; A120-L174 HydrophobicContact CB-CD2 4.08Å; F123-L174 HydrophobicContact CB-CD1 4.16Å; F123-L174 HydrophobicContact CD2-CD1 3.45Å; F123-L174 VanDerWaalsContact CD2-CD1 3.45Å; F123-L174 HydrophobicContact CD2-CD2 4.43Å; F123-L174 HydrophobicContact CE2-CD1 4.16Å; F123-L174 HydrophobicContact CG-CD1 4.13Å; Q129-L174 WeakPolarHBondContact O-CD1 3.45Å; F133-L174 HydrophobicContact CZ-CD2 3.84Å; M169-L174 CarbonylContact C-O 3.56Å; M169-L174 HydrophobicContact CB-CB 4.26Å; M169-L174 HydrophobicContact CE-CD2 3.71Å; M169-L174 HydrophobicContact CE-CG 3.75Å; M169-L174 HydrophobicContact CG-CD2 4.17Å; M169-L174 PolarHBondContact O-N 2.77Å; Q172-L174 PolarHBondContact O-N 2.84Å; L174-S176 PolarHBondContact O-N 3.5Å
175G98.6Very high96.1Very high0 Ų028.9 Ų28.90%013%0.13CC..EExtended strand (participates in β ladder)trans-67.1129.217800000111.1Q129 G131 M169 D221Q129-G175 PolarHBondContact O-N 3.06Å; G131-G175 PolarHBondContact N-O 3.01Å; M169-G175 VanDerWaalsContact CE-O 3.28Å; M169-G175 WeakPolarHBondContact CE-O 3.46Å; G175-D221 WeakPolarHBondContact CA-OD2 3.19Å
176S98.7Very high94.9Very high0 Ų033.6 Ų33.60%016%0.155CC..EExtended strand (participates in β ladder)trans-104.9135.4-175.558.20000112.1L174 D221 S222L174-S176 PolarHBondContact O-N 3.5Å; S176-D221 PolarHBondContact N-OD2 2.92Å; S176-D221 PolarHBondContact O-N 2.96Å; S176-D221 PolarHBondContact OG-N 3.48Å; S176-D221 PolarHBondContact OG-OD2 3.39Å; S176-S222 PolarHBondContact O-N 2.93Å; S176-S222 PolarHBondContact O-OG 2.96Å; S176-S222 VanDerWaalsContact O-OG 3.06Å
177T98.8Very high93.9Very high0 Ų034.7 Ų34.70%016%0.161CC..EExtended strand (participates in β ladder)trans-126.3112.6175.9-49.80000109.4G131 M132 F133 S222 M224 M260G131-T177 PolarHBondContact O-N 3.2Å; G131-T177 PolarHBondContact O-OG1 2.71Å; M132-T177 HydrophobicContact SD-CG2 4.2Å; M132-T177 PolarHBondContact SD-OG1 2.87Å; F133-T177 CarbonylContact C-O 3.6Å; F133-T177 WeakPolarHBondContact CA-O 3.48Å; F133-T177 PolarHBondContact N-O 3.44Å; F133-T177 PolarHBondContact O-N 3Å; F133-T177 VanDerWaalsContact O-N 3.15Å; F133-T177 VanDerWaalsContact O-O 3.07Å; T177-S222 WeakPolarHBondContact CA-O 3.2Å; T177-S222 VanDerWaalsContact CA-OG 3.28Å; T177-S222 WeakPolarHBondContact CA-OG 3.29Å; T177-S222 VanDerWaalsContact CB-OG 3.25Å; T177-S222 WeakPolarHBondContact CB-OG 3.43Å; T177-S222 WeakPolarHBondContact CG2-OG 3.35Å; T177-S222 PolarHBondContact OG1-OG 2.61Å; T177-M224 HydrophobicContact CG2-CB 3.82Å; T177-M224 HydrophobicContact CG2-CE 4.47Å; T177-M260 HydrophobicContact CG2-SD 4.05Å
178I98.7Very high92.9Very high0 Ų038.8 Ų38.80%017%0.173CC..EExtended strand (participates in β ladder)trans-87.1137.2172.761.5178.5000110.3P134 A136 V162 V166 F212 V220 S222 I223 M224P134-I178 HydrophobicContact CG-CG2 3.91Å; P134-I178 WeakPolarHBondContact O-CA 3.28Å; A136-I178 HydrophobicContact CB-CB 4.16Å; V162-I178 HydrophobicContact CG1-CG2 3.59Å; V166-I178 HydrophobicContact CG2-CG2 4.02Å; I178-F212 HydrophobicContact CB-CE1 4.48Å; I178-F212 HydrophobicContact CD1-CB 4.15Å; I178-F212 HydrophobicContact CD1-CD1 3.49Å; I178-F212 VanDerWaalsContact CD1-CD1 3.49Å; I178-F212 HydrophobicContact CD1-CE1 4.23Å; I178-F212 HydrophobicContact CD1-CG 4.13Å; I178-F212 HydrophobicContact CG1-CD1 3.78Å; I178-F212 HydrophobicContact CG1-CE1 4.04Å; I178-V220 HydrophobicContact CB-CG2 4.31Å; I178-V220 HydrophobicContact CD1-CB 4.49Å; I178-V220 HydrophobicContact CD1-CG1 3.97Å; I178-V220 HydrophobicContact CD1-CG2 4.28Å; I178-V220 HydrophobicContact CG1-CG1 4.4Å; I178-V220 HydrophobicContact CG1-CG2 3.99Å; I178-V220 HydrophobicContact CG2-CG2 3.7Å; I178-S222 PolarHBondContact N-O 3.43Å; I178-S222 VanDerWaalsContact N-O 3.08Å; I178-I223 HydrophobicContact CD1-CD1 4.21Å; I178-I223 HydrophobicContact CD1-CG1 3.92Å; I178-I223 HydrophobicContact CG1-CB 4.39Å; I178-I223 HydrophobicContact CG1-CG1 3.71Å; I178-I223 WeakPolarHBondContact O-CA 3.32Å; I178-M224 PolarHBondContact O-N 3.16Å
179K98Very high91.9Very high2 Ų239.7 Ų39.71%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-148.6152.7-172.269.3-173.8-170.8-177.10112.4D78 E80 M132 P134 A136 M224D78-K179 IonicContact OD1-NZ 3.33Å; D78-K179 PolarHBondContact OD1-NZ 2.97Å; D78-K179 IonicContact OD2-NZ 3.38Å; D78-K179 PolarHBondContact OD2-NZ 2.74Å; E80-K179 WeakPolarHBondContact OE1-CE 3.38Å; E80-K179 IonicContact OE1-NZ 2.61Å; E80-K179 PolarHBondContact OE1-NZ 3.12Å; M132-K179 WeakPolarHBondContact O-CE 3.34Å; M132-K179 PolarHBondContact O-NZ 3.36Å; P134-K179 PolarHBondContact O-N 2.79Å; A136-K179 WeakPolarHBondContact CA-O 3.41Å; A136-K179 WeakPolarHBondContact CB-O 3.3Å; A136-K179 PolarHBondContact N-O 2.95Å; K179-M224 HydrophobicContact CB-CB 3.7Å; K179-M224 HydrophobicContact CB-CG 4.28Å; K179-M224 HydrophobicContact CB-SD 4.1Å; K179-M224 HydrophobicContact CD-SD 3.85Å
180H97.3Very high90.7Very high4 Ų439.8 Ų39.82%0.01918%0.179CC..EExtended strand (participates in β ladder)cis-119.1108.44.1-40.675.5000108.5D135 D137 R149 G183 M224 D262D135-H180 IonicContact OD2-CE1 2.76Å; D137-H180 PolarHBondContact OD1-N 2.89Å; D137-H180 IonicContact OD2-CE1 3.76Å; D137-H180 PolarHBondContact OD2-CE1 2.88Å; D137-H180 IonicContact OD2-CG 2.68Å; D137-H180 IonicContact OD2-ND1 2.89Å; D137-H180 PolarHBondContact OD2-ND1 3.45Å; R149-H180 PolarHBondContact NH2-CE1 3.49Å; R149-H180 PolarHBondContact NH2-NE2 2.96Å; R149-H180 VanDerWaalsContact NH2-NE2 3.16Å; H180-G183 VanDerWaalsContact O-CA 3.3Å; H180-G183 WeakPolarHBondContact O-CA 3.08Å; H180-G183 PolarHBondContact O-N 3.11Å; H180-M224 CarbonylContact C-O 3.5Å; H180-D262 IonicContact CD2-OD2 3.9Å; H180-D262 PolarHBondContact CD2-OD2 3.4Å
181F98.6Very high89.5Confident0 Ų038.8 Ų38.80%018%0.176CC..EExtended strand (participates in β ladder)trans-61139.9-178.1-169.9-93.9000110.1F209 F212 I223 M224 S226 V245 L248 I249 L253F181-F209 AromaticContact CE2-CD1 3.86Å; F181-F209 HydrophobicContact CE2-CD1 3.86Å; F181-F209 AromaticContact CE2-CE1 3.8Å; F181-F209 HydrophobicContact CE2-CE1 3.8Å; F181-F209 HydrophobicContact CE2-CG 4.35Å; F181-F209 HydrophobicContact CE2-CZ 4.23Å; F181-F209 HydrophobicContact CZ-CD1 4.25Å; F181-F209 AromaticContact CZ-CE1 3.74Å; F181-F209 HydrophobicContact CZ-CE1 3.74Å; F181-F209 HydrophobicContact CZ-CE2 4.31Å; F181-F209 AromaticContact CZ-CZ 3.78Å; F181-F209 HydrophobicContact CZ-CZ 3.78Å; F181-F212 VanDerWaalsContact CA-CZ 3.45Å; F181-F212 HydrophobicContact CB-CD1 4.15Å; F181-F212 HydrophobicContact CB-CE1 3.61Å; F181-F212 HydrophobicContact CB-CZ 3.85Å; F181-F212 HydrophobicContact CD2-CB 4.4Å; F181-F212 AromaticContact CD2-CD1 3.78Å; F181-F212 HydrophobicContact CD2-CD1 3.78Å; F181-F212 AromaticContact CD2-CD2 3.86Å; F181-F212 HydrophobicContact CD2-CD2 3.86Å; F181-F212 AromaticContact CD2-CE1 3.99Å; F181-F212 HydrophobicContact CD2-CE1 3.99Å; F181-F212 HydrophobicContact CD2-CE2 4.06Å; F181-F212 AromaticContact CD2-CG 3.74Å; F181-F212 HydrophobicContact CD2-CG 3.74Å; F181-F212 HydrophobicContact CD2-CZ 4.14Å; F181-F212 HydrophobicContact CE2-CD2 4.47Å; F181-F212 HydrophobicContact CE2-CG 4.41Å; F181-F212 HydrophobicContact CG-CD1 4.43Å; F181-F212 HydrophobicContact CG-CE1 4.32Å; F181-F212 VanDerWaalsContact N-CZ 3.34Å; F181-I223 HydrophobicContact CB-CG2 3.74Å; F181-I223 HydrophobicContact CG-CG2 4.42Å; F181-M224 PolarHBondContact N-O 3.43Å; F181-S226 PolarHBondContact O-N 3.02Å; F181-S226 PolarHBondContact O-OG 3.42Å; F181-S226 VanDerWaalsContact O-OG 3.05Å; F181-V245 HydrophobicContact CD1-CG1 3.71Å; F181-V245 HydrophobicContact CE1-CG1 3.67Å; F181-L248 HydrophobicContact CZ-CB 4.46Å; F181-I249 HydrophobicContact CB-CD1 4.48Å; F181-I249 HydrophobicContact CD1-CD1 3.48Å; F181-I249 VanDerWaalsContact CD1-CD1 3.48Å; F181-I249 HydrophobicContact CD1-CG1 3.47Å; F181-I249 VanDerWaalsContact CD1-CG1 3.47Å; F181-I249 HydrophobicContact CD2-CG1 4.39Å; F181-I249 HydrophobicContact CE1-CD1 3.89Å; F181-I249 HydrophobicContact CE1-CG1 3.37Å; F181-I249 HydrophobicContact CE2-CG1 4.36Å; F181-I249 HydrophobicContact CG-CD1 4.02Å; F181-I249 HydrophobicContact CG-CG1 3.99Å; F181-I249 HydrophobicContact CZ-CG1 3.86Å; F181-L253 HydrophobicContact CD2-CD1 4.3Å; F181-L253 HydrophobicContact CE2-CD1 3.53Å; F181-L253 HydrophobicContact CZ-CD1 4.03Å
182P97.3Very high88.4Confident0 Ų037.2 Ų37.20%018%0.177CC..THydrogen-bonded Turncis-87.816.95.535.1-36.1000116.3D208 F209 V230 I233P182-D208 VanDerWaalsContact O-CB 3.28Å; P182-D208 WeakPolarHBondContact O-CB 3.19Å; P182-F209 HydrophobicContact CB-CE1 3.77Å; P182-F209 HydrophobicContact CB-CZ 4.5Å; P182-V230 HydrophobicContact CG-CB 4.27Å; P182-V230 HydrophobicContact CG-CG1 4.36Å; P182-V230 HydrophobicContact CG-CG2 3.49Å; P182-V230 VanDerWaalsContact CG-CG2 3.49Å; P182-I233 HydrophobicContact CB-CD1 4.17Å; P182-I233 HydrophobicContact CG-CD1 4.26Å
183G92.5Very high87.5Confident1 Ų136.2 Ų36.21%0.0117%0.173CC..  trans111.3127.7-175.500000111.5D137 H180 R199D137-G183 WeakPolarHBondContact OD1-CA 3.23Å; H180-G183 VanDerWaalsContact O-CA 3.3Å; H180-G183 WeakPolarHBondContact O-CA 3.08Å; H180-G183 PolarHBondContact O-N 3.11Å; G183-R199 PolarHBondContact O-NH2 3.3Å
184Y83.5Confident86.9Confident5 Ų531.8 Ų31.82%0.0216%0.155CC..  trans-75.7-28-177.4-147.2-84.2000113D137 F145 I146 N186 N187 R188 D189 S190D137-Y184 VanDerWaalsContact CG-CB 3.43Å; D137-Y184 WeakPolarHBondContact OD1-CB 3.18Å; D137-Y184 PolarHBondContact OD1-N 2.74Å; D137-Y184 WeakPolarHBondContact OD2-CB 3.18Å; F145-Y184 HydrophobicContact CD1-CD1 4.4Å; F145-Y184 AromaticContact CD1-CE1 3.76Å; F145-Y184 HydrophobicContact CD1-CE1 3.76Å; F145-Y184 HydrophobicContact CE1-CE1 4.24Å; I146-Y184 HydrophobicContact CB-CD1 4.25Å; I146-Y184 HydrophobicContact CD1-CG 4.36Å; Y184-N186 PolarHBondContact O-N 3.23Å; Y184-N187 HydrophobicContact CD1-CB 4.08Å; Y184-N187 HydrophobicContact CE1-CB 3.98Å; Y184-N187 WeakPolarHBondContact CE1-O 3.26Å; Y184-N187 VanDerWaalsContact O-CB 3.25Å; Y184-N187 WeakPolarHBondContact O-CB 3.46Å; Y184-N187 PolarHBondContact O-N 2.84Å; Y184-N187 PolarHBondContact O-ND2 3.32Å; Y184-R188 WeakPolarHBondContact CE1-O 3.41Å; Y184-R188 VanDerWaalsContact CZ-O 3.25Å; Y184-R188 PolarHBondContact OH-O 3.18Å; Y184-D189 WeakPolarHBondContact OH-CA 3.48Å; Y184-S190 WeakPolarHBondContact OH-CB 3.43Å; Y184-S190 PolarHBondContact OH-N 3.31Å; Y184-S190 PolarHBondContact OH-OG 2.94Å
185G76.9Confident86.3Confident2 Ų231.7 Ų31.72%0.02116%0.155CC..THydrogen-bonded Turntrans53.3-133.4-177.400000113.3S144 I146S144-G185 PolarHBondContact OG-O 3.32Å; I146-G185 WeakPolarHBondContact CG2-O 3.25Å
186N74.7Confident85.9Confident98 Ų9834.7 Ų34.752%0.52417%0.174SC..THydrogen-bonded Turntrans-102.825.1176.6-66.3-13.7000112.8S144 Y184S144-N186 WeakPolarHBondContact CB-OD1 3.37Å; S144-N186 PolarHBondContact OG-OD1 3.12Å; Y184-N186 PolarHBondContact O-N 3.23Å
187N77Confident85.6Confident24 Ų2434.9 Ų34.913%0.12818%0.175CC..PPolyproline II helixtrans-69.9161.2-179.4-70.8-56.5000112.1Y184 V195 D197Y184-N187 HydrophobicContact CD1-CB 4.08Å; Y184-N187 HydrophobicContact CE1-CB 3.98Å; Y184-N187 WeakPolarHBondContact CE1-O 3.26Å; Y184-N187 VanDerWaalsContact O-CB 3.25Å; Y184-N187 WeakPolarHBondContact O-CB 3.46Å; Y184-N187 PolarHBondContact O-N 2.84Å; Y184-N187 PolarHBondContact O-ND2 3.32Å; N187-V195 HydrophobicContact CB-CG1 3.82Å; N187-D197 VanDerWaalsContact ND2-CG 3.34Å; N187-D197 PolarHBondContact ND2-OD2 3.31Å
188R77Confident85.3Confident162 Ų16240.7 Ų40.761%0.61121%0.206SC*.PPolyproline II helixtrans-73.1168.5174.9-61.6-164.5-60.9-118.13.9111.5Y184 S190 E193 V195Y184-R188 WeakPolarHBondContact CE1-O 3.41Å; Y184-R188 VanDerWaalsContact CZ-O 3.25Å; Y184-R188 PolarHBondContact OH-O 3.18Å; R188-S190 PolarHBondContact O-N 2.65Å; R188-E193 IonicContact CZ-OE1 3.22Å; R188-E193 IonicContact NE-OE1 3.17Å; R188-E193 PolarHBondContact NE-OE1 2.84Å; R188-E193 IonicContact NH2-OE1 2.71Å; R188-E193 PolarHBondContact NH2-OE1 3.22Å; R188-E193 IonicContact NH2-OE2 2.93Å; R188-V195 HydrophobicContact CB-CG1 4.5Å; R188-V195 HydrophobicContact CB-CG2 4.2Å
189D79.3Confident85.1Confident38 Ų3842.4 Ų42.420%0.20321%0.212CC..PPolyproline II helixtrans-68.9121.9179.9-169.71.8000112.6F145 Y184 H191 V192F145-D189 HydrophobicContact CD1-CB 4.26Å; F145-D189 HydrophobicContact CD2-CB 3.81Å; F145-D189 HydrophobicContact CE1-CB 4.06Å; F145-D189 HydrophobicContact CE2-CB 3.58Å; F145-D189 WeakPolarHBondContact CE2-OD2 2.98Å; F145-D189 HydrophobicContact CG-CB 4.14Å; F145-D189 HydrophobicContact CZ-CB 3.72Å; F145-D189 VanDerWaalsContact CZ-OD1 3.3Å; F145-D189 WeakPolarHBondContact CZ-OD1 3.35Å; F145-D189 WeakPolarHBondContact CZ-OD2 3.05Å; Y184-D189 WeakPolarHBondContact OH-CA 3.48Å; D189-H191 VanDerWaalsContact C-N 3.33Å; D189-H191 WeakPolarHBondContact OD1-CB 3.49Å; D189-H191 IonicContact OD1-CE1 3.67Å; D189-H191 IonicContact OD1-CG 2.79Å; D189-H191 PolarHBondContact OD1-N 3.35Å; D189-H191 IonicContact OD1-ND1 3.77Å; D189-H191 PolarHBondContact OD1-ND1 3.01Å; D189-H191 IonicContact OD2-ND1 3.84Å; D189-V192 HydrophobicContact CB-CG2 4.31Å; D189-V192 VanDerWaalsContact O-CG2 3.29Å; D189-V192 WeakPolarHBondContact O-CG2 3.34Å
190S73.5Confident85Confident2 Ų245 Ų451%0.01423%0.23CC..THydrogen-bonded Turntrans-86-6.1-179.850.10000112.8Y184 R188 V192 E193 M266 G268Y184-S190 WeakPolarHBondContact OH-CB 3.43Å; Y184-S190 PolarHBondContact OH-N 3.31Å; Y184-S190 PolarHBondContact OH-OG 2.94Å; R188-S190 PolarHBondContact O-N 2.65Å; S190-V192 PolarHBondContact O-N 3.13Å; S190-E193 VanDerWaalsContact CA-O 3.32Å; S190-E193 WeakPolarHBondContact CA-O 3.15Å; S190-M266 VanDerWaalsContact OG-CE 3.23Å; S190-M266 WeakPolarHBondContact OG-CE 2.86Å; S190-G268 PolarHBondContact O-N 3.21Å
191H72.3Confident85Confident89 Ų8946.6 Ų46.641%0.41224%0.239SC..THydrogen-bonded Turntrans-65.8-22.7169.5-66.583.5000112D189 M266 A267D189-H191 VanDerWaalsContact C-N 3.33Å; D189-H191 WeakPolarHBondContact OD1-CB 3.49Å; D189-H191 IonicContact OD1-CE1 3.67Å; D189-H191 IonicContact OD1-CG 2.79Å; D189-H191 PolarHBondContact OD1-N 3.35Å; D189-H191 IonicContact OD1-ND1 3.77Å; D189-H191 PolarHBondContact OD1-ND1 3.01Å; D189-H191 IonicContact OD2-ND1 3.84Å; H191-M266 HydrophobicContact CB-CE 4.38Å; H191-A267 VanDerWaalsContact O-CB 3.23Å; H191-A267 WeakPolarHBondContact O-CB 3.37Å; H191-A267 PolarHBondContact O-N 3.21Å
192V72.9Confident85Confident101 Ų10150.8 Ų50.861%0.61226%0.261SS*.THydrogen-bonded Turntrans-112.7-19.7-173.4-590000114.7D189 S190D189-V192 HydrophobicContact CB-CG2 4.31Å; D189-V192 VanDerWaalsContact O-CG2 3.29Å; D189-V192 WeakPolarHBondContact O-CG2 3.34Å; S190-V192 PolarHBondContact O-N 3.13Å
193E77.8Confident84.9Confident71 Ų7154.7 Ų54.733%0.33228%0.28SS..SBendtrans-160.9167.817864.4178.6-174.400111.8R188 S190 V195 G268R188-E193 IonicContact CZ-OE1 3.22Å; R188-E193 IonicContact NE-OE1 3.17Å; R188-E193 PolarHBondContact NE-OE1 2.84Å; R188-E193 IonicContact NH2-OE1 2.71Å; R188-E193 PolarHBondContact NH2-OE1 3.22Å; R188-E193 IonicContact NH2-OE2 2.93Å; S190-E193 VanDerWaalsContact CA-O 3.32Å; S190-E193 WeakPolarHBondContact CA-O 3.15Å; E193-V195 HydrophobicContact CG-CG2 4.13Å; E193-G268 VanDerWaalsContact C-CA 3.47Å; E193-G268 WeakPolarHBondContact O-CA 3.34Å
194I82.7Confident85.1Confident60 Ų6054.6 Ų54.631%0.30828%0.279SS..  trans-73.2131.7168.4-167.565.3000110.3H227 I229 P238 G268I194-H227 VanDerWaalsContact CD1-O 3.29Å; I194-H227 WeakPolarHBondContact CD1-O 3.32Å; I194-I229 HydrophobicContact CD1-CD1 4.2Å; I194-I229 HydrophobicContact CD1-CG1 4.03Å; I194-I229 HydrophobicContact CG1-CD1 3.71Å; I194-I229 HydrophobicContact CG1-CG1 4.01Å; I194-P238 HydrophobicContact CD1-CB 4.48Å; I194-P238 HydrophobicContact CD1-CG 3.92Å; I194-G268 WeakPolarHBondContact CD1-O 3.29Å
195V86.3Confident85.8Confident6 Ų658.3 Ų58.34%0.03629%0.293CS..  trans-117.6130-177.2-176.20000110.4N187 R188 E193 N228 I229N187-V195 HydrophobicContact CB-CG1 3.82Å; R188-V195 HydrophobicContact CB-CG1 4.5Å; R188-V195 HydrophobicContact CB-CG2 4.2Å; E193-V195 HydrophobicContact CG-CG2 4.13Å; V195-N228 CarbonylContact O-C 3.43Å; V195-N228 WeakPolarHBondContact O-CA 3.37Å; V195-I229 PolarHBondContact O-N 2.95Å
196T90.6Very high86.8Confident64 Ų6466.1 Ų66.139%0.39332%0.322SS..EExtended strand (participates in β ladder)trans-101.4118.7177-54.90000110.8N198 I229T196-N198 PolarHBondContact O-ND2 3.04Å; T196-I229 CarbonylContact C-O 3.46Å; T196-I229 VanDerWaalsContact CA-O 3.29Å; T196-I229 WeakPolarHBondContact CA-O 3.35Å; T196-I229 HydrophobicContact CG2-CB 4.48Å; T196-I229 HydrophobicContact CG2-CG2 4.35Å
197D92.5Very high87.8Confident3 Ų363.8 Ų63.82%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-84.4128.8168.5-164.8-27.3000110.2N187 R199 I229 V230 S231N187-D197 VanDerWaalsContact ND2-CG 3.34Å; N187-D197 PolarHBondContact ND2-OD2 3.31Å; D197-R199 VanDerWaalsContact OD1-CB 3.29Å; D197-R199 WeakPolarHBondContact OD1-CB 3.25Å; D197-R199 VanDerWaalsContact OD1-CG 3.29Å; D197-R199 WeakPolarHBondContact OD1-CG 3.5Å; D197-R199 PolarHBondContact OD1-N 3.06Å; D197-R199 IonicContact OD1-NE 3.12Å; D197-R199 PolarHBondContact OD1-NE 3.13Å; D197-R199 VanDerWaalsContact OD1-NE 3.17Å; D197-R199 IonicContact OD2-CZ 2.84Å; D197-R199 IonicContact OD2-NE 3.75Å; D197-R199 PolarHBondContact OD2-NE 3.47Å; D197-R199 IonicContact OD2-NH2 3.37Å; D197-R199 PolarHBondContact OD2-NH2 3.36Å; D197-I229 PolarHBondContact N-O 3.19Å; D197-V230 HydrophobicContact CB-CG1 4.42Å; D197-V230 HydrophobicContact CB-CG2 4.07Å; D197-S231 PolarHBondContact O-N 3.43Å; D197-S231 PolarHBondContact O-OG 2.93Å
198N92.9Very high88.8Confident123 Ų12362.7 Ų62.766%0.65830%0.303SS*.  trans-113.36.6-177.8-61.8-69.6000113.4T196 S231T196-N198 PolarHBondContact O-ND2 3.04Å; N198-S231 PolarHBondContact OD1-OG 3.05Å
199R94.1Very high89.8Confident35 Ų3555 Ų5513%0.13227%0.274CS..  trans-62.7147.3172.7-65.9178.1-65.2164.53.3110.1G183 D197 E203 L204 D208 A232G183-R199 PolarHBondContact O-NH2 3.3Å; D197-R199 VanDerWaalsContact OD1-CB 3.29Å; D197-R199 WeakPolarHBondContact OD1-CB 3.25Å; D197-R199 VanDerWaalsContact OD1-CG 3.29Å; D197-R199 WeakPolarHBondContact OD1-CG 3.5Å; D197-R199 PolarHBondContact OD1-N 3.06Å; D197-R199 IonicContact OD1-NE 3.12Å; D197-R199 PolarHBondContact OD1-NE 3.13Å; D197-R199 VanDerWaalsContact OD1-NE 3.17Å; D197-R199 IonicContact OD2-CZ 2.84Å; D197-R199 IonicContact OD2-NE 3.75Å; D197-R199 PolarHBondContact OD2-NE 3.47Å; D197-R199 IonicContact OD2-NH2 3.37Å; D197-R199 PolarHBondContact OD2-NH2 3.36Å; R199-E203 HydrophobicContact CB-CG 4.45Å; R199-E203 VanDerWaalsContact CD-OE1 3.29Å; R199-E203 WeakPolarHBondContact CD-OE1 3.25Å; R199-E203 WeakPolarHBondContact CG-OE1 3.08Å; R199-L204 HydrophobicContact CB-CD2 4.47Å; R199-D208 IonicContact CZ-OD1 3.53Å; R199-D208 IonicContact CZ-OD2 2.74Å; R199-D208 IonicContact NH1-OD1 3.99Å; R199-D208 PolarHBondContact NH1-OD1 3.13Å; R199-D208 IonicContact NH1-OD2 2.74Å; R199-D208 PolarHBondContact NH1-OD2 3.39Å; R199-D208 IonicContact NH2-OD1 3.47Å; R199-D208 PolarHBondContact NH2-OD1 3.32Å; R199-D208 VanDerWaalsContact NH2-OD1 3.12Å; R199-A232 WeakPolarHBondContact O-CB 2.76Å
200S95.7Very high90.7Very high56 Ų5655.9 Ų55.939%0.39228%0.279SS..  trans-71.1153.4179.369.10000111.5D202 E203 L204S200-D202 PolarHBondContact O-N 2.85Å; S200-E203 WeakPolarHBondContact O-CB 3.46Å; S200-E203 PolarHBondContact O-N 2.7Å; S200-E203 VanDerWaalsContact OG-CB 3.32Å; S200-E203 WeakPolarHBondContact OG-CB 3.35Å; S200-E203 PolarHBondContact OG-N 2.9Å; S200-E203 VanDerWaalsContact OG-N 3.13Å; S200-L204 PolarHBondContact O-N 2.48Å
201L97.2Very high91.9Very high38 Ų3855.8 Ų55.820%0.19928%0.278CS..Hα-helixtrans-59.5-34175.3-17856.1000112.1E203 L204 R205 F209 A232 I233 L248L201-E203 VanDerWaalsContact C-N 3.33Å; L201-L204 PolarHBondContact O-N 3.14Å; L201-R205 HydrophobicContact CD1-CG 4.45Å; L201-R205 WeakPolarHBondContact O-CB 3.43Å; L201-R205 WeakPolarHBondContact O-CG 3.49Å; L201-R205 PolarHBondContact O-N 2.81Å; L201-F209 HydrophobicContact CD1-CE2 4.31Å; L201-F209 HydrophobicContact CD1-CZ 4.04Å; L201-A232 HydrophobicContact CB-CB 4.13Å; L201-I233 HydrophobicContact CD1-CD1 4.31Å; L201-I233 HydrophobicContact CD1-CG1 3.92Å; L201-L248 HydrophobicContact CD1-CD1 4.31Å
202D97.4Very high93.2Very high88 Ų8851.5 Ų51.547%0.47126%0.259SS..Hα-helixtrans-66.4-33.4174.6-83.33.7000113S200 R205 R206S200-D202 PolarHBondContact O-N 2.85Å; D202-R205 IonicContact OD1-NH1 3.38Å; D202-R206 WeakPolarHBondContact O-CB 3.44Å; D202-R206 VanDerWaalsContact O-CG 3.3Å; D202-R206 WeakPolarHBondContact O-CG 3.45Å; D202-R206 PolarHBondContact O-N 3.31Å; D202-R206 PolarHBondContact O-NE 2.76Å
203E96Very high94.4Very high82 Ų8250.9 Ų50.938%0.38325%0.249SC..Hα-helixtrans-69.6-48173.8-175.8-179.7160.900110.8R199 S200 L201 R205 R206 N207R199-E203 HydrophobicContact CB-CG 4.45Å; R199-E203 VanDerWaalsContact CD-OE1 3.29Å; R199-E203 WeakPolarHBondContact CD-OE1 3.25Å; R199-E203 WeakPolarHBondContact CG-OE1 3.08Å; S200-E203 WeakPolarHBondContact O-CB 3.46Å; S200-E203 PolarHBondContact O-N 2.7Å; S200-E203 VanDerWaalsContact OG-CB 3.32Å; S200-E203 WeakPolarHBondContact OG-CB 3.35Å; S200-E203 PolarHBondContact OG-N 2.9Å; S200-E203 VanDerWaalsContact OG-N 3.13Å; L201-E203 VanDerWaalsContact C-N 3.33Å; E203-R205 VanDerWaalsContact C-N 3.35Å; E203-R205 PolarHBondContact O-N 2.68Å; E203-R206 PolarHBondContact O-N 3.47Å; E203-N207 WeakPolarHBondContact O-CB 3.17Å; E203-N207 PolarHBondContact O-N 2.89Å; E203-N207 VanDerWaalsContact O-N 3.09Å
204L97.5Very high95.4Very high0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-56.8-46.9175.7-66.2170.9000111.5R199 S200 L201 R206 N207 D208 F209 V230 I233R199-L204 HydrophobicContact CB-CD2 4.47Å; S200-L204 PolarHBondContact O-N 2.48Å; L201-L204 PolarHBondContact O-N 3.14Å; L204-R206 VanDerWaalsContact C-N 3.35Å; L204-R206 PolarHBondContact O-N 2.89Å; L204-N207 CarbonylContact O-C 3.57Å; L204-N207 PolarHBondContact O-N 3.45Å; L204-D208 HydrophobicContact CD2-CB 4.17Å; L204-D208 PolarHBondContact O-N 3.04Å; L204-F209 HydrophobicContact CB-CD1 4.15Å; L204-F209 HydrophobicContact CB-CE1 3.77Å; L204-F209 HydrophobicContact CB-CZ 4.28Å; L204-F209 PolarHBondContact O-N 3.49Å; L204-V230 HydrophobicContact CD1-CG1 3.57Å; L204-I233 HydrophobicContact CD1-CD1 4.17Å
205R97.7Very high96.2Very high82 Ų8245.7 Ų45.731%0.30923%0.227SC..Hα-helixtrans-60.2-40.6177.4-78.7173.4173.6143.10.4113.5L201 D202 E203 N207 F209 E252L201-R205 HydrophobicContact CD1-CG 4.45Å; L201-R205 WeakPolarHBondContact O-CB 3.43Å; L201-R205 WeakPolarHBondContact O-CG 3.49Å; L201-R205 PolarHBondContact O-N 2.81Å; D202-R205 IonicContact OD1-NH1 3.38Å; E203-R205 VanDerWaalsContact C-N 3.35Å; E203-R205 PolarHBondContact O-N 2.68Å; R205-N207 VanDerWaalsContact C-N 3.3Å; R205-F209 HydrophobicContact CB-CD2 4.38Å; R205-F209 HydrophobicContact CG-CD2 3.69Å; R205-F209 HydrophobicContact CG-CE2 3.78Å; R205-E252 IonicContact CZ-OE1 3.88Å; R205-E252 IonicContact CZ-OE2 3.11Å; R205-E252 IonicContact NE-OE1 2.7Å; R205-E252 PolarHBondContact NE-OE1 2.94Å; R205-E252 IonicContact NE-OE2 2.73Å; R205-E252 IonicContact NH2-OE1 2.71Å; R205-E252 PolarHBondContact NH2-OE1 3.1Å; R205-E252 IonicContact NH2-OE2 2.7Å; R205-E252 PolarHBondContact NH2-OE2 3.24Å
206R96.9Very high96.8Very high167 Ų16747.1 Ų47.163%0.6323%0.234SC*.Hα-helixtrans-82-8.3-177.5-71.9-170.5-57.8-105.1-4.3113.8D202 E203 L204 L210D202-R206 WeakPolarHBondContact O-CB 3.44Å; D202-R206 VanDerWaalsContact O-CG 3.3Å; D202-R206 WeakPolarHBondContact O-CG 3.45Å; D202-R206 PolarHBondContact O-N 3.31Å; D202-R206 PolarHBondContact O-NE 2.76Å; E203-R206 PolarHBondContact O-N 3.47Å; L204-R206 VanDerWaalsContact C-N 3.35Å; L204-R206 PolarHBondContact O-N 2.89Å; R206-L210 VanDerWaalsContact O-CD1 3.25Å; R206-L210 WeakPolarHBondContact O-CD1 3.41Å
207N96.6Very high97.2Very high49 Ų4953.2 Ų53.226%0.26226%0.255SS..THydrogen-bonded Turntrans-132.4-77.3-173.7-169.963.9000110.7A155 E203 L204 R205 F209 L210 P211A155-N207 WeakPolarHBondContact CB-O 3.4Å; A155-N207 WeakPolarHBondContact CB-OD1 3.42Å; E203-N207 WeakPolarHBondContact O-CB 3.17Å; E203-N207 PolarHBondContact O-N 2.89Å; E203-N207 VanDerWaalsContact O-N 3.09Å; L204-N207 CarbonylContact O-C 3.57Å; L204-N207 PolarHBondContact O-N 3.45Å; R205-N207 VanDerWaalsContact C-N 3.3Å; N207-F209 PolarHBondContact O-N 2.79Å; N207-L210 PolarHBondContact O-N 2.98Å; N207-P211 VanDerWaalsContact O-CD 3.29Å; N207-P211 WeakPolarHBondContact O-CD 3.33Å
208D97.3Very high97.5Very high0 Ų053.7 Ų53.70%026%0.26CS..THydrogen-bonded Turntrans-70.3-26.9-170.1-61.1-118.3000114.2P182 R199 L204 L210 P211 F212P182-D208 VanDerWaalsContact O-CB 3.28Å; P182-D208 WeakPolarHBondContact O-CB 3.19Å; R199-D208 IonicContact CZ-OD1 3.53Å; R199-D208 IonicContact CZ-OD2 2.74Å; R199-D208 IonicContact NH1-OD1 3.99Å; R199-D208 PolarHBondContact NH1-OD1 3.13Å; R199-D208 IonicContact NH1-OD2 2.74Å; R199-D208 PolarHBondContact NH1-OD2 3.39Å; R199-D208 IonicContact NH2-OD1 3.47Å; R199-D208 PolarHBondContact NH2-OD1 3.32Å; R199-D208 VanDerWaalsContact NH2-OD1 3.12Å; L204-D208 HydrophobicContact CD2-CB 4.17Å; L204-D208 PolarHBondContact O-N 3.04Å; D208-L210 VanDerWaalsContact C-N 3.35Å; D208-P211 WeakPolarHBondContact O-CD 3.23Å; D208-F212 WeakPolarHBondContact O-CD2 3.36Å; D208-F212 WeakPolarHBondContact O-CE2 3.43Å
209F98.5Very high97.7Very high0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-77-24.5178.1-73.116000112.1F181 P182 L201 L204 R205 N207 F212 E213 I233 L248 L253F181-F209 AromaticContact CE2-CD1 3.86Å; F181-F209 HydrophobicContact CE2-CD1 3.86Å; F181-F209 AromaticContact CE2-CE1 3.8Å; F181-F209 HydrophobicContact CE2-CE1 3.8Å; F181-F209 HydrophobicContact CE2-CG 4.35Å; F181-F209 HydrophobicContact CE2-CZ 4.23Å; F181-F209 HydrophobicContact CZ-CD1 4.25Å; F181-F209 AromaticContact CZ-CE1 3.74Å; F181-F209 HydrophobicContact CZ-CE1 3.74Å; F181-F209 HydrophobicContact CZ-CE2 4.31Å; F181-F209 AromaticContact CZ-CZ 3.78Å; F181-F209 HydrophobicContact CZ-CZ 3.78Å; P182-F209 HydrophobicContact CB-CE1 3.77Å; P182-F209 HydrophobicContact CB-CZ 4.5Å; L201-F209 HydrophobicContact CD1-CE2 4.31Å; L201-F209 HydrophobicContact CD1-CZ 4.04Å; L204-F209 HydrophobicContact CB-CD1 4.15Å; L204-F209 HydrophobicContact CB-CE1 3.77Å; L204-F209 HydrophobicContact CB-CZ 4.28Å; L204-F209 PolarHBondContact O-N 3.49Å; R205-F209 HydrophobicContact CB-CD2 4.38Å; R205-F209 HydrophobicContact CG-CD2 3.69Å; R205-F209 HydrophobicContact CG-CE2 3.78Å; N207-F209 PolarHBondContact O-N 2.79Å; F209-F212 WeakPolarHBondContact O-CA 3.49Å; F209-F212 WeakPolarHBondContact O-CB 3.4Å; F209-F212 PolarHBondContact O-N 3.07Å; F209-E213 PolarHBondContact O-N 3.28Å; F209-I233 HydrophobicContact CZ-CD1 4.47Å; F209-L248 HydrophobicContact CZ-CD1 4.21Å; F209-L253 HydrophobicContact CB-CD2 4.49Å; F209-L253 HydrophobicContact CD2-CD2 4.09Å
210L98.6Very high97.9Very high57 Ų5747.8 Ų47.830%0.29824%0.236SC..Hα-helixtrans-61.3-43-173.8-58.3-178.4000112.7A155 S159 R206 N207 D208 F212 E213 A214A155-L210 HydrophobicContact CB-CB 4.41Å; A155-L210 HydrophobicContact CB-CD1 3.98Å; S159-L210 PolarHBondContact OG-O 2.88Å; R206-L210 VanDerWaalsContact O-CD1 3.25Å; R206-L210 WeakPolarHBondContact O-CD1 3.41Å; N207-L210 PolarHBondContact O-N 2.98Å; D208-L210 VanDerWaalsContact C-N 3.35Å; L210-F212 VanDerWaalsContact C-N 3.3Å; L210-F212 PolarHBondContact O-N 3.26Å; L210-E213 PolarHBondContact O-N 3.42Å; L210-A214 WeakPolarHBondContact O-CB 3.44Å; L210-A214 PolarHBondContact O-N 2.96Å
211P98.8Very high98.1Very high0 Ų046.1 Ų46.10%022%0.223CC..Hα-helixtrans-59.7-36.6171.7-27.136.4000114A136 V138 T158 V162 N207 D208 A214 G215A136-P211 HydrophobicContact CB-CB 4.06Å; A136-P211 WeakPolarHBondContact O-CB 3.35Å; V138-P211 HydrophobicContact CG2-CG 3.66Å; T158-P211 HydrophobicContact CG2-CB 3.97Å; T158-P211 HydrophobicContact CG2-CG 3.64Å; V162-P211 WeakPolarHBondContact CG1-O 3.45Å; V162-P211 HydrophobicContact CG2-CB 4Å; N207-P211 VanDerWaalsContact O-CD 3.29Å; N207-P211 WeakPolarHBondContact O-CD 3.33Å; D208-P211 WeakPolarHBondContact O-CD 3.23Å; P211-A214 PolarHBondContact O-N 2.86Å; P211-G215 PolarHBondContact O-N 2.91Å
212F98.9Very high98.2Very high0 Ų044.3 Ų44.30%021%0.214CC..Hα-helixtrans-69.5-43.4176.8-64.4-92.5000111.8A136 I178 F181 D208 F209 L210 A214 G215 I216 I223 L253A136-F212 HydrophobicContact CB-CE1 4.35Å; A136-F212 HydrophobicContact CB-CE2 4.23Å; A136-F212 HydrophobicContact CB-CZ 4.01Å; I178-F212 HydrophobicContact CB-CE1 4.48Å; I178-F212 HydrophobicContact CD1-CB 4.15Å; I178-F212 HydrophobicContact CD1-CD1 3.49Å; I178-F212 VanDerWaalsContact CD1-CD1 3.49Å; I178-F212 HydrophobicContact CD1-CE1 4.23Å; I178-F212 HydrophobicContact CD1-CG 4.13Å; I178-F212 HydrophobicContact CG1-CD1 3.78Å; I178-F212 HydrophobicContact CG1-CE1 4.04Å; F181-F212 VanDerWaalsContact CA-CZ 3.45Å; F181-F212 HydrophobicContact CB-CD1 4.15Å; F181-F212 HydrophobicContact CB-CE1 3.61Å; F181-F212 HydrophobicContact CB-CZ 3.85Å; F181-F212 HydrophobicContact CD2-CB 4.4Å; F181-F212 AromaticContact CD2-CD1 3.78Å; F181-F212 HydrophobicContact CD2-CD1 3.78Å; F181-F212 AromaticContact CD2-CD2 3.86Å; F181-F212 HydrophobicContact CD2-CD2 3.86Å; F181-F212 AromaticContact CD2-CE1 3.99Å; F181-F212 HydrophobicContact CD2-CE1 3.99Å; F181-F212 HydrophobicContact CD2-CE2 4.06Å; F181-F212 AromaticContact CD2-CG 3.74Å; F181-F212 HydrophobicContact CD2-CG 3.74Å; F181-F212 HydrophobicContact CD2-CZ 4.14Å; F181-F212 HydrophobicContact CE2-CD2 4.47Å; F181-F212 HydrophobicContact CE2-CG 4.41Å; F181-F212 HydrophobicContact CG-CD1 4.43Å; F181-F212 HydrophobicContact CG-CE1 4.32Å; F181-F212 VanDerWaalsContact N-CZ 3.34Å; D208-F212 WeakPolarHBondContact O-CD2 3.36Å; D208-F212 WeakPolarHBondContact O-CE2 3.43Å; F209-F212 WeakPolarHBondContact O-CA 3.49Å; F209-F212 WeakPolarHBondContact O-CB 3.4Å; F209-F212 PolarHBondContact O-N 3.07Å; L210-F212 VanDerWaalsContact C-N 3.3Å; L210-F212 PolarHBondContact O-N 3.26Å; F212-A214 VanDerWaalsContact C-N 3.28Å; F212-A214 PolarHBondContact O-N 2.85Å; F212-G215 PolarHBondContact O-N 3.46Å; F212-I216 WeakPolarHBondContact O-CB 3.41Å; F212-I216 WeakPolarHBondContact O-CD1 3.41Å; F212-I216 WeakPolarHBondContact O-CG1 3.29Å; F212-I216 PolarHBondContact O-N 3.08Å; F212-I223 HydrophobicContact CD1-CD1 4.4Å; F212-I223 HydrophobicContact CD1-CG2 3.99Å; F212-I223 HydrophobicContact CE1-CG2 3.99Å; F212-L253 HydrophobicContact CB-CD1 4.16Å
213E98.8Very high98.2Very high88 Ų8840.1 Ų40.141%0.41119%0.191SC..Hα-helixtrans-57.8-42.7172.7-69.2179.1-17500111.7F209 L210 I216 K217 L253F209-E213 PolarHBondContact O-N 3.28Å; L210-E213 PolarHBondContact O-N 3.42Å; E213-I216 PolarHBondContact O-N 2.92Å; E213-K217 WeakPolarHBondContact O-CB 3.38Å; E213-K217 PolarHBondContact O-N 3.32Å; E213-L253 HydrophobicContact CG-CD2 3.77Å
214A98.9Very high98.4Very high21 Ų2136.3 Ų36.317%0.17417%0.174CC..Hα-helixtrans-63.6-4417700000111.9K163 L210 P211 F212 K217 A218K163-A214 HydrophobicContact CB-CB 4.46Å; L210-A214 WeakPolarHBondContact O-CB 3.44Å; L210-A214 PolarHBondContact O-N 2.96Å; P211-A214 PolarHBondContact O-N 2.86Å; F212-A214 VanDerWaalsContact C-N 3.28Å; F212-A214 PolarHBondContact O-N 2.85Å; A214-K217 PolarHBondContact O-N 3.22Å; A214-A218 WeakPolarHBondContact O-CB 3.34Å; A214-A218 PolarHBondContact O-N 3.01Å
215G98.9Very high98.4Very high0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-63.8-44.3175.300000112.9P211 F212 K217 A218 G219 V220P211-G215 PolarHBondContact O-N 2.91Å; F212-G215 PolarHBondContact O-N 3.46Å; G215-K217 VanDerWaalsContact C-N 3.33Å; G215-K217 PolarHBondContact O-N 2.72Å; G215-A218 CarbonylContact O-C 3.48Å; G215-A218 WeakPolarHBondContact O-CB 3.23Å; G215-A218 PolarHBondContact O-N 3.27Å; G215-A218 VanDerWaalsContact O-N 3.16Å; G215-G219 PolarHBondContact O-N 3.15Å; G215-V220 WeakPolarHBondContact O-CB 3.48Å; G215-V220 PolarHBondContact O-N 3.26Å
216I98.9Very high98.4Very high36 Ų3632.4 Ų32.419%0.18516%0.159CC..Hα-helixtrans-60.3-45175.8-67.5163.2000110.5F212 E213 A218 G219 V220 I223 L253 F255F212-I216 WeakPolarHBondContact O-CB 3.41Å; F212-I216 WeakPolarHBondContact O-CD1 3.41Å; F212-I216 WeakPolarHBondContact O-CG1 3.29Å; F212-I216 PolarHBondContact O-N 3.08Å; E213-I216 PolarHBondContact O-N 2.92Å; I216-A218 VanDerWaalsContact C-N 3.3Å; I216-A218 PolarHBondContact O-N 3.17Å; I216-G219 WeakPolarHBondContact O-CA 3.3Å; I216-G219 PolarHBondContact O-N 3.42Å; I216-V220 HydrophobicContact CG1-CG1 4.27Å; I216-I223 HydrophobicContact CD1-CD1 4.01Å; I216-I223 HydrophobicContact CG1-CD1 4.09Å; I216-L253 HydrophobicContact CD1-CB 3.58Å; I216-L253 HydrophobicContact CD1-CD1 4.2Å; I216-F255 HydrophobicContact CD1-CB 3.83Å; I216-F255 HydrophobicContact CD1-CD2 4.45Å; I216-F255 HydrophobicContact CD1-CG 4.43Å; I216-F255 HydrophobicContact CG1-CB 4.13Å; I216-F255 HydrophobicContact CG1-CD2 3.83Å; I216-F255 HydrophobicContact CG1-CG 4.28Å
217K98.8Very high98.3Very high192 Ų19224.5 Ų24.584%0.83513%0.129SC*.Hα-helixtrans-65.6-32.6176.8-174.5175.8179.5176.90112.9E213 A214 G215 G219E213-K217 WeakPolarHBondContact O-CB 3.38Å; E213-K217 PolarHBondContact O-N 3.32Å; A214-K217 PolarHBondContact O-N 3.22Å; G215-K217 VanDerWaalsContact C-N 3.33Å; G215-K217 PolarHBondContact O-N 2.72Å; K217-G219 PolarHBondContact O-N 3.15Å
218A98.7Very high98.1Very high14 Ų1422.2 Ų22.212%0.11612%0.117CC..Hα-helixtrans-71.3-15.417200000112.7K163 V166 E167 A214 G215 I216K163-A218 HydrophobicContact CG-CB 4.12Å; V166-A218 HydrophobicContact CB-CB 3.89Å; V166-A218 HydrophobicContact CG1-CB 3.61Å; E167-A218 HydrophobicContact CG-CB 4.06Å; A214-A218 WeakPolarHBondContact O-CB 3.34Å; A214-A218 PolarHBondContact O-N 3.01Å; G215-A218 CarbonylContact O-C 3.48Å; G215-A218 WeakPolarHBondContact O-CB 3.23Å; G215-A218 PolarHBondContact O-N 3.27Å; G215-A218 VanDerWaalsContact O-N 3.16Å; I216-A218 VanDerWaalsContact C-N 3.3Å; I216-A218 PolarHBondContact O-N 3.17Å
219G98.3Very high98Very high24 Ų2423 Ų2325%0.24712%0.121CC..THydrogen-bonded Turntrans82.146.7-179.600000112.6K170 G215 I216 K217K170-G219 PolarHBondContact NZ-O 3.05Å; G215-G219 PolarHBondContact O-N 3.15Å; I216-G219 WeakPolarHBondContact O-CA 3.3Å; I216-G219 PolarHBondContact O-N 3.42Å; K217-G219 PolarHBondContact O-N 3.15Å
220V98.8Very high97.9Very high9 Ų923.1 Ų23.16%0.05512%0.122CC..  trans-55.7146.4169.370.40000110.8V166 I178 G215 I216 S222 F255V166-V220 HydrophobicContact CG1-CB 3.97Å; V166-V220 HydrophobicContact CG2-CB 3.94Å; V166-V220 HydrophobicContact CG2-CG2 3.9Å; I178-V220 HydrophobicContact CB-CG2 4.31Å; I178-V220 HydrophobicContact CD1-CB 4.49Å; I178-V220 HydrophobicContact CD1-CG1 3.97Å; I178-V220 HydrophobicContact CD1-CG2 4.28Å; I178-V220 HydrophobicContact CG1-CG1 4.4Å; I178-V220 HydrophobicContact CG1-CG2 3.99Å; I178-V220 HydrophobicContact CG2-CG2 3.7Å; G215-V220 WeakPolarHBondContact O-CB 3.48Å; G215-V220 PolarHBondContact O-N 3.26Å; I216-V220 HydrophobicContact CG1-CG1 4.27Å; V220-S222 WeakPolarHBondContact CG2-O 3.23Å; V220-F255 HydrophobicContact CG1-CD2 4.39Å; V220-F255 HydrophobicContact CG1-CE2 3.8Å; V220-F255 HydrophobicContact CG1-CZ 4.5Å
221D98.7Very high97.8Very high21 Ų2122.8 Ų22.811%0.11212%0.124CC..SBendtrans-86.6-40.2-175.5-49-77.6000112.6G175 S176 F255 V258 W326G175-D221 WeakPolarHBondContact CA-OD2 3.19Å; S176-D221 PolarHBondContact N-OD2 2.92Å; S176-D221 PolarHBondContact O-N 2.96Å; S176-D221 PolarHBondContact OG-N 3.48Å; S176-D221 PolarHBondContact OG-OD2 3.39Å; D221-F255 WeakPolarHBondContact O-CZ 3.48Å; D221-V258 PolarHBondContact O-N 3.1Å; D221-W326 HydrophobicContact CB-CD2 4.25Å; D221-W326 HydrophobicContact CB-CZ2 3.51Å
222S98.9Very high97.6Very high0 Ų024.9 Ų24.90%014%0.142CC..EExtended strand (participates in β ladder)trans-139156.8179.761.70000114.8S176 T177 I178 V220 V258 W326S176-S222 PolarHBondContact O-N 2.93Å; S176-S222 PolarHBondContact O-OG 2.96Å; S176-S222 VanDerWaalsContact O-OG 3.06Å; T177-S222 WeakPolarHBondContact CA-O 3.2Å; T177-S222 VanDerWaalsContact CA-OG 3.28Å; T177-S222 WeakPolarHBondContact CA-OG 3.29Å; T177-S222 VanDerWaalsContact CB-OG 3.25Å; T177-S222 WeakPolarHBondContact CB-OG 3.43Å; T177-S222 WeakPolarHBondContact CG2-OG 3.35Å; T177-S222 PolarHBondContact OG1-OG 2.61Å; I178-S222 PolarHBondContact N-O 3.43Å; I178-S222 VanDerWaalsContact N-O 3.08Å; V220-S222 WeakPolarHBondContact CG2-O 3.23Å; S222-V258 CarbonylContact C-O 3.54Å; S222-V258 WeakPolarHBondContact CA-O 3.43Å; S222-V258 VanDerWaalsContact CB-O 3.25Å; S222-V258 WeakPolarHBondContact CB-O 3.46Å; S222-W326 WeakPolarHBondContact OG-CH2 3.4Å
223I98.9Very high97.6Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-122.7127.1171.8-62-178.3000108.1I178 F181 F212 I216 I249 F255 V258 I259 M260I178-I223 HydrophobicContact CD1-CD1 4.21Å; I178-I223 HydrophobicContact CD1-CG1 3.92Å; I178-I223 HydrophobicContact CG1-CB 4.39Å; I178-I223 HydrophobicContact CG1-CG1 3.71Å; I178-I223 WeakPolarHBondContact O-CA 3.32Å; F181-I223 HydrophobicContact CB-CG2 3.74Å; F181-I223 HydrophobicContact CG-CG2 4.42Å; F212-I223 HydrophobicContact CD1-CD1 4.4Å; F212-I223 HydrophobicContact CD1-CG2 3.99Å; F212-I223 HydrophobicContact CE1-CG2 3.99Å; I216-I223 HydrophobicContact CD1-CD1 4.01Å; I216-I223 HydrophobicContact CG1-CD1 4.09Å; I223-I249 HydrophobicContact CD1-CG2 3.91Å; I223-I249 HydrophobicContact CG2-CD1 4.46Å; I223-F255 HydrophobicContact CB-CD1 4.45Å; I223-F255 HydrophobicContact CB-CE1 4.08Å; I223-F255 HydrophobicContact CD1-CB 4.12Å; I223-F255 HydrophobicContact CD1-CD1 3.6Å; I223-F255 HydrophobicContact CD1-CD2 4.05Å; I223-F255 HydrophobicContact CD1-CE1 3.92Å; I223-F255 HydrophobicContact CD1-CE2 4.35Å; I223-F255 HydrophobicContact CD1-CG 3.65Å; I223-F255 HydrophobicContact CD1-CZ 4.27Å; I223-F255 HydrophobicContact CG1-CD1 3.94Å; I223-F255 HydrophobicContact CG1-CD2 4.48Å; I223-F255 HydrophobicContact CG1-CE1 3.7Å; I223-F255 HydrophobicContact CG1-CE2 4.28Å; I223-F255 HydrophobicContact CG1-CG 4.31Å; I223-F255 HydrophobicContact CG1-CZ 3.87Å; I223-V258 PolarHBondContact N-O 3.19Å; I223-I259 WeakPolarHBondContact O-CA 3.38Å; I223-M260 PolarHBondContact O-N 3.4Å
224M98.8Very high97.5Very high3 Ų323.1 Ų23.12%0.01514%0.135CC..EExtended strand (participates in β ladder)trans-94.2133.4172.8-178.1178.3-8000110.5M132 T177 I178 K179 H180 F181 M260 D262 L291M132-M224 HydrophobicContact SD-CE 4.1Å; T177-M224 HydrophobicContact CG2-CB 3.82Å; T177-M224 HydrophobicContact CG2-CE 4.47Å; I178-M224 PolarHBondContact O-N 3.16Å; K179-M224 HydrophobicContact CB-CB 3.7Å; K179-M224 HydrophobicContact CB-CG 4.28Å; K179-M224 HydrophobicContact CB-SD 4.1Å; K179-M224 HydrophobicContact CD-SD 3.85Å; H180-M224 CarbonylContact C-O 3.5Å; F181-M224 PolarHBondContact N-O 3.43Å; M224-M260 CarbonylContact C-O 3.56Å; M224-M260 WeakPolarHBondContact CA-O 3.41Å; M224-M260 HydrophobicContact CB-CG 4.15Å; M224-M260 HydrophobicContact CE-SD 4.19Å; M224-M260 HydrophobicContact CG-CG 4.49Å; M224-D262 HydrophobicContact CG-CB 4Å; M224-D262 HydrophobicContact SD-CB 4.14Å; M224-L291 HydrophobicContact CE-CD2 4.42Å
225V98.6Very high97.3Very high0 Ų023.9 Ų23.90%014%0.144CC..EExtended strand (participates in β ladder)trans-105.6123.9-177.4-168.70000110.3A239 V245 I249 I259 M260 D262V225-A239 VanDerWaalsContact CG1-C 3.46Å; V225-A239 HydrophobicContact CG1-CB 3.9Å; V225-V245 HydrophobicContact CG1-CG1 3.97Å; V225-I249 HydrophobicContact CG2-CD1 3.72Å; V225-I259 HydrophobicContact CG2-CG2 3.51Å; V225-M260 PolarHBondContact N-O 3.29Å; V225-D262 WeakPolarHBondContact O-CB 3.19Å; V225-D262 PolarHBondContact O-N 2.77Å
226S96.2Very high97.1Very high0 Ų031.1 Ų31.10%018%0.178CC..  trans-66.5171.5-179.666.50000113.6F181 A239 S240F181-S226 PolarHBondContact O-N 3.02Å; F181-S226 PolarHBondContact O-OG 3.42Å; F181-S226 VanDerWaalsContact O-OG 3.05Å; S226-A239 WeakPolarHBondContact O-CB 3.42Å; S226-S240 WeakPolarHBondContact O-CB 3.37Å; S226-S240 PolarHBondContact O-N 3.29Å
227H95.3Very high96.9Very high0 Ų033.7 Ų33.70%019%0.185CC..  trans-97.38.8174.7-59.9-41.9000114.4I194 P238 S240 D262 D263 L269I194-H227 VanDerWaalsContact CD1-O 3.29Å; I194-H227 WeakPolarHBondContact CD1-O 3.32Å; H227-P238 WeakPolarHBondContact O-CB 3.46Å; H227-S240 PolarHBondContact CE1-OG 2.97Å; H227-S240 VanDerWaalsContact ND1-CB 3.29Å; H227-S240 WeakPolarHBondContact ND1-CB 3.5Å; H227-S240 PolarHBondContact ND1-OG 2.7Å; H227-D262 PolarHBondContact NE2-O 3.39Å; H227-D263 PolarHBondContact NE2-O 2.91Å; H227-L269 HydrophobicContact CB-CB 4.42Å
228N93.4Very high96.8Very high1 Ų124.6 Ų24.61%0.00515%0.146CC..  trans-68.3139.6177.2-67.9-4.2000110.8V195 V230 A239V195-N228 CarbonylContact O-C 3.43Å; V195-N228 WeakPolarHBondContact O-CA 3.37Å; N228-V230 HydrophobicContact CB-CG2 4.37Å; N228-V230 PolarHBondContact O-N 3.45Å; N228-A239 WeakPolarHBondContact O-CB 3.29Å; N228-A239 PolarHBondContact O-N 3.28Å
229I95Very high96.7Very high17 Ų1724 Ų249%0.08714%0.141CC..EExtended strand (participates in β ladder)trans-79.3116.1165.9-64.4175.9000107.1I194 V195 T196 D197 P238 F272I194-I229 HydrophobicContact CD1-CD1 4.2Å; I194-I229 HydrophobicContact CD1-CG1 4.03Å; I194-I229 HydrophobicContact CG1-CD1 3.71Å; I194-I229 HydrophobicContact CG1-CG1 4.01Å; V195-I229 PolarHBondContact O-N 2.95Å; T196-I229 CarbonylContact C-O 3.46Å; T196-I229 VanDerWaalsContact CA-O 3.29Å; T196-I229 WeakPolarHBondContact CA-O 3.35Å; T196-I229 HydrophobicContact CG2-CB 4.48Å; T196-I229 HydrophobicContact CG2-CG2 4.35Å; D197-I229 PolarHBondContact N-O 3.19Å; I229-P238 HydrophobicContact CG1-CG 4.36Å; I229-F272 HydrophobicContact CD1-CE2 4.32Å
230V95.8Very high96.7Very high3 Ų322.8 Ų22.82%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-104.197.6-179.3-175.40000109P182 D197 L204 N228 A232 I233 D234P182-V230 HydrophobicContact CG-CB 4.27Å; P182-V230 HydrophobicContact CG-CG1 4.36Å; P182-V230 HydrophobicContact CG-CG2 3.49Å; P182-V230 VanDerWaalsContact CG-CG2 3.49Å; D197-V230 HydrophobicContact CB-CG1 4.42Å; D197-V230 HydrophobicContact CB-CG2 4.07Å; L204-V230 HydrophobicContact CD1-CG1 3.57Å; N228-V230 HydrophobicContact CB-CG2 4.37Å; N228-V230 PolarHBondContact O-N 3.45Å; V230-A232 PolarHBondContact O-N 2.9Å; V230-A232 VanDerWaalsContact O-N 3.1Å; V230-I233 HydrophobicContact CB-CD1 4.25Å; V230-I233 HydrophobicContact CG1-CB 4.5Å; V230-I233 HydrophobicContact CG1-CD1 3.81Å; V230-I233 HydrophobicContact CG1-CG1 4.04Å; V230-I233 PolarHBondContact O-N 3.44Å; V230-D234 CarbonylContact O-C 3.5Å; V230-D234 PolarHBondContact O-N 2.98Å
231S95.7Very high96.7Very high50 Ų5022.4 Ų22.435%0.3513%0.126SC..Hα-helixtrans-59.5-29.1-16858.70000114D197 N198 I233D197-S231 PolarHBondContact O-N 3.43Å; D197-S231 PolarHBondContact O-OG 2.93Å; N198-S231 PolarHBondContact OD1-OG 3.05Å; S231-I233 VanDerWaalsContact C-N 3.27Å; S231-I233 PolarHBondContact O-N 3.31Å
232A96.2Very high96.6Very high44 Ų4421.4 Ų21.436%0.36412%0.121SC..Hα-helixtrans-74.1-11.8176.500000114.6R199 L201 V230R199-A232 WeakPolarHBondContact O-CB 2.76Å; L201-A232 HydrophobicContact CB-CB 4.13Å; V230-A232 PolarHBondContact O-N 2.9Å; V230-A232 VanDerWaalsContact O-N 3.1Å
233I97.7Very high96.6Very high30 Ų3026.1 Ų26.115%0.15414%0.141CC..Hα-helixtrans-113.7-55.9178.7-56.8168.3000110.1P182 L201 L204 F209 V230 S231 P244 V245 L248P182-I233 HydrophobicContact CB-CD1 4.17Å; P182-I233 HydrophobicContact CG-CD1 4.26Å; L201-I233 HydrophobicContact CD1-CD1 4.31Å; L201-I233 HydrophobicContact CD1-CG1 3.92Å; L204-I233 HydrophobicContact CD1-CD1 4.17Å; F209-I233 HydrophobicContact CZ-CD1 4.47Å; V230-I233 HydrophobicContact CB-CD1 4.25Å; V230-I233 HydrophobicContact CG1-CB 4.5Å; V230-I233 HydrophobicContact CG1-CD1 3.81Å; V230-I233 HydrophobicContact CG1-CG1 4.04Å; V230-I233 PolarHBondContact O-N 3.44Å; S231-I233 VanDerWaalsContact C-N 3.27Å; S231-I233 PolarHBondContact O-N 3.31Å; I233-P244 HydrophobicContact CG2-CB 3.86Å; I233-V245 HydrophobicContact CB-CG2 4.21Å; I233-V245 HydrophobicContact CD1-CG2 4.3Å; I233-V245 HydrophobicContact CG2-CB 4.45Å; I233-V245 HydrophobicContact CG2-CG2 3.59Å; I233-L248 HydrophobicContact CB-CD1 4.44Å; I233-L248 HydrophobicContact CD1-CD1 3.69Å; I233-L248 HydrophobicContact CG1-CD1 3.86Å; I233-L248 HydrophobicContact CG2-CD1 3.7Å
234D97.4Very high96.6Very high21 Ų2128.5 Ų28.511%0.11216%0.157CC..Hα-helixtrans-150.698.3177.7-174.7-11.5000108.8V230 Q236 R237 S242 P244V230-D234 CarbonylContact O-C 3.5Å; V230-D234 PolarHBondContact O-N 2.98Å; D234-Q236 PolarHBondContact O-N 2.99Å; D234-Q236 WeakPolarHBondContact OD1-CB 3.38Å; D234-Q236 PolarHBondContact OD1-N 3.4Å; D234-R237 PolarHBondContact OD1-N 3.34Å; D234-R237 IonicContact OD2-NE 3.51Å; D234-S242 WeakPolarHBondContact CB-OG 3.36Å; D234-S242 VanDerWaalsContact CG-OG 3.32Å; D234-S242 WeakPolarHBondContact OD2-CB 3.48Å; D234-S242 PolarHBondContact OD2-OG 3.49Å; D234-P244 HydrophobicContact CB-CB 4.45Å; D234-P244 HydrophobicContact CB-CG 4.35Å
235G94.8Very high96.6Very high36 Ų3628.4 Ų28.437%0.37116%0.157SC..THydrogen-bonded Turntrans-76.15.2178.800000114.7
236Q94.1Very high96.6Very high152 Ų15228.5 Ų28.571%0.7116%0.157SC*.THydrogen-bonded Turntrans-110.2-19.3-177.7-60.2-60.5-79.700113.1D234 F272D234-Q236 PolarHBondContact O-N 2.99Å; D234-Q236 WeakPolarHBondContact OD1-CB 3.38Å; D234-Q236 PolarHBondContact OD1-N 3.4Å; Q236-F272 WeakPolarHBondContact O-CZ 3.32Å
237R95.6Very high96.7Very high91 Ų9131.1 Ų31.134%0.34317%0.171SC..SBendtrans-137.1145.4-173.8-72.5-170.1-83.9-162.8-8.4112.9D234 I241 F272D234-R237 PolarHBondContact OD1-N 3.34Å; D234-R237 IonicContact OD2-NE 3.51Å; R237-I241 HydrophobicContact CB-CG1 4.39Å; R237-F272 HydrophobicContact CG-CE1 4.46Å; R237-F272 HydrophobicContact CG-CZ 4.41Å
238P96.2Very high96.9Very high0 Ų032.1 Ų32.10%018%0.176CC..BIsolated β-bridgetrans-51.4143.4165.6-26.133.6000111.5I194 H227 I229 S240 I241 S242 L269 F272I194-P238 HydrophobicContact CD1-CB 4.48Å; I194-P238 HydrophobicContact CD1-CG 3.92Å; H227-P238 WeakPolarHBondContact O-CB 3.46Å; I229-P238 HydrophobicContact CG1-CG 4.36Å; P238-S240 VanDerWaalsContact C-N 3.27Å; P238-S240 PolarHBondContact O-N 3.08Å; P238-I241 HydrophobicContact CB-CG1 4.09Å; P238-I241 HydrophobicContact CG-CD1 4.29Å; P238-I241 HydrophobicContact CG-CG1 4.23Å; P238-I241 CarbonylContact O-C 3.57Å; P238-I241 PolarHBondContact O-N 3.15Å; P238-S242 WeakPolarHBondContact O-CB 3.46Å; P238-S242 PolarHBondContact O-N 2.96Å; P238-S242 VanDerWaalsContact O-N 3.13Å; P238-L269 HydrophobicContact CB-CD1 4.08Å; P238-L269 HydrophobicContact CG-CD1 3.99Å; P238-F272 HydrophobicContact CG-CB 4.42Å; P238-F272 HydrophobicContact CG-CD1 3.91Å; P238-F272 HydrophobicContact CG-CD2 4.32Å; P238-F272 HydrophobicContact CG-CE1 4.31Å; P238-F272 HydrophobicContact CG-CG 3.94Å
239A97.4Very high97.1Very high1 Ų132.1 Ų32.11%0.00818%0.176CC..G310 helixtrans-55.3-40.6-175.800000113V225 S226 N228 I241 S242 V245 H246V225-A239 VanDerWaalsContact CG1-C 3.46Å; V225-A239 HydrophobicContact CG1-CB 3.9Å; S226-A239 WeakPolarHBondContact O-CB 3.42Å; N228-A239 WeakPolarHBondContact O-CB 3.29Å; N228-A239 PolarHBondContact O-N 3.28Å; A239-I241 PolarHBondContact O-N 3.14Å; A239-I241 VanDerWaalsContact O-N 3.14Å; A239-S242 PolarHBondContact O-N 3.27Å; A239-S242 VanDerWaalsContact O-N 3.11Å; A239-V245 HydrophobicContact CB-CG1 4.07Å; A239-V245 HydrophobicContact CB-CG2 4.03Å; A239-H246 PolarHBondContact O-CE1 3.48Å
240S97.6Very high97.3Very high0 Ų032.7 Ų32.70%018%0.177CC..G310 helixtrans-59.7-22.3177.8650000114.8S226 H227 P238 H246 N287S226-S240 WeakPolarHBondContact O-CB 3.37Å; S226-S240 PolarHBondContact O-N 3.29Å; H227-S240 PolarHBondContact CE1-OG 2.97Å; H227-S240 VanDerWaalsContact ND1-CB 3.29Å; H227-S240 WeakPolarHBondContact ND1-CB 3.5Å; H227-S240 PolarHBondContact ND1-OG 2.7Å; P238-S240 VanDerWaalsContact C-N 3.27Å; P238-S240 PolarHBondContact O-N 3.08Å; S240-H246 PolarHBondContact O-CE1 2.7Å; S240-N287 PolarHBondContact O-ND2 3.1Å
241I97.7Very high97.4Very high1 Ų138.3 Ų38.31%0.00521%0.207CC..G310 helixtrans-121.620.2177.562.4169.4000112.2R237 P238 A239 L269 F272 I273 Q281 A282 A285R237-I241 HydrophobicContact CB-CG1 4.39Å; P238-I241 HydrophobicContact CB-CG1 4.09Å; P238-I241 HydrophobicContact CG-CD1 4.29Å; P238-I241 HydrophobicContact CG-CG1 4.23Å; P238-I241 CarbonylContact O-C 3.57Å; P238-I241 PolarHBondContact O-N 3.15Å; A239-I241 PolarHBondContact O-N 3.14Å; A239-I241 VanDerWaalsContact O-N 3.14Å; I241-L269 HydrophobicContact CD1-CD1 4.07Å; I241-L269 HydrophobicContact CG1-CD1 4.34Å; I241-L269 HydrophobicContact CG2-CD1 4.37Å; I241-F272 HydrophobicContact CD1-CD1 4.08Å; I241-F272 HydrophobicContact CD1-CE1 4.07Å; I241-I273 HydrophobicContact CD1-CD1 4.39Å; I241-I273 HydrophobicContact CD1-CG2 4.2Å; I241-Q281 HydrophobicContact CB-CB 4.26Å; I241-Q281 HydrophobicContact CG2-CB 4.22Å; I241-A282 HydrophobicContact CG2-CB 4.1Å; I241-A285 VanDerWaalsContact C-CB 3.5Å
242S98.3Very high97.6Very high0 Ų039.9 Ų39.90%021%0.209CC..  trans-102.3113.8178.5177.40000111.3D234 P238 A239 P244 V245 H246D234-S242 WeakPolarHBondContact CB-OG 3.36Å; D234-S242 VanDerWaalsContact CG-OG 3.32Å; D234-S242 WeakPolarHBondContact OD2-CB 3.48Å; D234-S242 PolarHBondContact OD2-OG 3.49Å; P238-S242 WeakPolarHBondContact O-CB 3.46Å; P238-S242 PolarHBondContact O-N 2.96Å; P238-S242 VanDerWaalsContact O-N 3.13Å; A239-S242 PolarHBondContact O-N 3.27Å; A239-S242 VanDerWaalsContact O-N 3.11Å; S242-P244 WeakPolarHBondContact OG-CD 3.42Å; S242-V245 WeakPolarHBondContact O-CB 3.48Å; S242-V245 PolarHBondContact O-N 2.66Å; S242-H246 PolarHBondContact O-N 2.71Å; S242-H246 PolarHBondContact O-ND1 2.78Å
243K98.4Very high97.7Very high98 Ų9838.7 Ų38.743%0.42620%0.196SC..Hα-helixtrans-57.5-44.8174.3174163.9174.142.80113.2V245 H246 D247K243-V245 VanDerWaalsContact C-N 3.28Å; K243-V245 PolarHBondContact O-N 2.91Å; K243-H246 PolarHBondContact O-N 3.2Å; K243-H246 VanDerWaalsContact O-N 3.1Å; K243-D247 WeakPolarHBondContact CG-OD2 3.44Å; K243-D247 IonicContact NZ-OD1 2.72Å; K243-D247 PolarHBondContact NZ-OD1 3.29Å; K243-D247 IonicContact NZ-OD2 3.57Å; K243-D247 PolarHBondContact NZ-OD2 3.14Å; K243-D247 PolarHBondContact O-N 3.33Å
244P98.7Very high97.7Very high51 Ų5138.8 Ų38.833%0.33121%0.205SC..Hα-helixtrans-53.4-40174.1-30.836000114.4I233 D234 S242 D247 L248I233-P244 HydrophobicContact CG2-CB 3.86Å; D234-P244 HydrophobicContact CB-CB 4.45Å; D234-P244 HydrophobicContact CB-CG 4.35Å; S242-P244 WeakPolarHBondContact OG-CD 3.42Å; P244-D247 PolarHBondContact O-N 2.88Å; P244-L248 WeakPolarHBondContact O-CG 3.32Å; P244-L248 PolarHBondContact O-N 3.16Å; P244-L248 VanDerWaalsContact O-N 3.13Å
245V98.7Very high97.8Very high1 Ų138 Ų381%0.00620%0.2CC..Hα-helixtrans-62.5-45.6175.6171.80000111.1F181 V225 I233 A239 S242 K243 D247 L248 I249F181-V245 HydrophobicContact CD1-CG1 3.71Å; F181-V245 HydrophobicContact CE1-CG1 3.67Å; V225-V245 HydrophobicContact CG1-CG1 3.97Å; I233-V245 HydrophobicContact CB-CG2 4.21Å; I233-V245 HydrophobicContact CD1-CG2 4.3Å; I233-V245 HydrophobicContact CG2-CB 4.45Å; I233-V245 HydrophobicContact CG2-CG2 3.59Å; A239-V245 HydrophobicContact CB-CG1 4.07Å; A239-V245 HydrophobicContact CB-CG2 4.03Å; S242-V245 WeakPolarHBondContact O-CB 3.48Å; S242-V245 PolarHBondContact O-N 2.66Å; K243-V245 VanDerWaalsContact C-N 3.28Å; K243-V245 PolarHBondContact O-N 2.91Å; V245-D247 VanDerWaalsContact C-N 3.34Å; V245-D247 PolarHBondContact O-N 3.43Å; V245-L248 WeakPolarHBondContact O-CB 3.42Å; V245-L248 PolarHBondContact O-N 2.7Å; V245-I249 PolarHBondContact O-N 3.16Å
246H98.7Very high97.9Very high2 Ų243.4 Ų43.41%0.00921%0.214CC..Hα-helixtrans-68-34.6179.2-69.672.3000112.6A239 S240 S242 K243 L248 I249 R250 A285 N287A239-H246 PolarHBondContact O-CE1 3.48Å; S240-H246 PolarHBondContact O-CE1 2.7Å; S242-H246 PolarHBondContact O-N 2.71Å; S242-H246 PolarHBondContact O-ND1 2.78Å; K243-H246 PolarHBondContact O-N 3.2Å; K243-H246 VanDerWaalsContact O-N 3.1Å; H246-L248 VanDerWaalsContact C-N 3.29Å; H246-L248 PolarHBondContact O-N 3.01Å; H246-I249 PolarHBondContact O-N 2.87Å; H246-R250 WeakPolarHBondContact O-CB 3.41Å; H246-R250 WeakPolarHBondContact O-CG 3.48Å; H246-R250 PolarHBondContact O-N 2.79Å; H246-A285 WeakPolarHBondContact CB-O 3.39Å; H246-A285 VanDerWaalsContact CG-O 3.27Å; H246-N287 PolarHBondContact CD2-N 2.97Å; H246-N287 PolarHBondContact CE1-ND2 3.18Å; H246-N287 PolarHBondContact NE2-ND2 3.38Å; H246-N287 PolarHBondContact NE2-OD1 3.05Å
247D98.7Very high98.2Very high54 Ų5437.2 Ų37.229%0.28919%0.191SC..Hα-helixtrans-63.5-35.7173.9-74.6-29.7000111.2K243 P244 V245 N251K243-D247 WeakPolarHBondContact CG-OD2 3.44Å; K243-D247 IonicContact NZ-OD1 2.72Å; K243-D247 PolarHBondContact NZ-OD1 3.29Å; K243-D247 IonicContact NZ-OD2 3.57Å; K243-D247 PolarHBondContact NZ-OD2 3.14Å; K243-D247 PolarHBondContact O-N 3.33Å; P244-D247 PolarHBondContact O-N 2.88Å; V245-D247 VanDerWaalsContact C-N 3.34Å; V245-D247 PolarHBondContact O-N 3.43Å; D247-N251 WeakPolarHBondContact O-CA 3.48Å; D247-N251 WeakPolarHBondContact O-CB 3.41Å; D247-N251 PolarHBondContact O-N 2.91Å; D247-N251 PolarHBondContact O-ND2 3.1Å
248L98.7Very high98.3Very high22 Ų2232.9 Ų32.912%0.11518%0.175CC..Iπ-helixtrans-63.1-47.7171.1-67169.7000111.2F181 L201 F209 I233 P244 V245 H246 R250 E252 L253F181-L248 HydrophobicContact CZ-CB 4.46Å; L201-L248 HydrophobicContact CD1-CD1 4.31Å; F209-L248 HydrophobicContact CZ-CD1 4.21Å; I233-L248 HydrophobicContact CB-CD1 4.44Å; I233-L248 HydrophobicContact CD1-CD1 3.69Å; I233-L248 HydrophobicContact CG1-CD1 3.86Å; I233-L248 HydrophobicContact CG2-CD1 3.7Å; P244-L248 WeakPolarHBondContact O-CG 3.32Å; P244-L248 PolarHBondContact O-N 3.16Å; P244-L248 VanDerWaalsContact O-N 3.13Å; V245-L248 WeakPolarHBondContact O-CB 3.42Å; V245-L248 PolarHBondContact O-N 2.7Å; H246-L248 VanDerWaalsContact C-N 3.29Å; H246-L248 PolarHBondContact O-N 3.01Å; L248-R250 PolarHBondContact O-N 3.25Å; L248-E252 HydrophobicContact CD2-CB 4.21Å; L248-E252 WeakPolarHBondContact CD2-OE2 3.41Å; L248-E252 WeakPolarHBondContact O-CA 3.4Å; L248-E252 VanDerWaalsContact O-CB 3.3Å; L248-E252 WeakPolarHBondContact O-CB 3.44Å; L248-E252 PolarHBondContact O-N 3.22Å; L248-L253 PolarHBondContact O-N 3.11Å
249I98.8Very high98.4Very high0 Ų032.9 Ų32.90%018%0.175CC..Iπ-helixtrans-58.5-47178.5-60169.7000111.1F181 I223 V225 V245 H246 G254 F255 I259F181-I249 HydrophobicContact CB-CD1 4.48Å; F181-I249 HydrophobicContact CD1-CD1 3.48Å; F181-I249 VanDerWaalsContact CD1-CD1 3.48Å; F181-I249 HydrophobicContact CD1-CG1 3.47Å; F181-I249 VanDerWaalsContact CD1-CG1 3.47Å; F181-I249 HydrophobicContact CD2-CG1 4.39Å; F181-I249 HydrophobicContact CE1-CD1 3.89Å; F181-I249 HydrophobicContact CE1-CG1 3.37Å; F181-I249 HydrophobicContact CE2-CG1 4.36Å; F181-I249 HydrophobicContact CG-CD1 4.02Å; F181-I249 HydrophobicContact CG-CG1 3.99Å; F181-I249 HydrophobicContact CZ-CG1 3.86Å; I223-I249 HydrophobicContact CD1-CG2 3.91Å; I223-I249 HydrophobicContact CG2-CD1 4.46Å; V225-I249 HydrophobicContact CG2-CD1 3.72Å; V245-I249 PolarHBondContact O-N 3.16Å; H246-I249 PolarHBondContact O-N 2.87Å; I249-G254 PolarHBondContact O-N 3.13Å; I249-F255 HydrophobicContact CG2-CB 3.78Å; I249-F255 HydrophobicContact CG2-CD1 3.75Å; I249-F255 HydrophobicContact CG2-CG 4.2Å; I249-F255 WeakPolarHBondContact O-CB 3.32Å; I249-F255 PolarHBondContact O-N 3.22Å; I249-I259 HydrophobicContact CB-CD1 3.92Å; I249-I259 HydrophobicContact CD1-CD1 4.18Å; I249-I259 HydrophobicContact CD1-CG2 4.16Å; I249-I259 HydrophobicContact CG2-CD1 3.5Å; I249-I259 VanDerWaalsContact CG2-CD1 3.5Å; I249-I259 HydrophobicContact CG2-CG1 3.93Å
250R98.6Very high98.5Very high30 Ų3032.9 Ų32.911%0.11317%0.174CC..Iπ-helixtrans-77.7-42.9-174.6-69.2-59.2-170.3-158.9-2.6114.1H246 L248 G254 F255 K256 G257 I259 D288H246-R250 WeakPolarHBondContact O-CB 3.41Å; H246-R250 WeakPolarHBondContact O-CG 3.48Å; H246-R250 PolarHBondContact O-N 2.79Å; L248-R250 PolarHBondContact O-N 3.25Å; R250-G254 WeakPolarHBondContact O-CA 3.3Å; R250-F255 VanDerWaalsContact CD-O 3.25Å; R250-F255 WeakPolarHBondContact CD-O 3.49Å; R250-F255 PolarHBondContact NH1-O 2.99Å; R250-K256 PolarHBondContact O-NZ 2.84Å; R250-G257 VanDerWaalsContact CZ-O 3.3Å; R250-G257 PolarHBondContact NH1-O 3.36Å; R250-G257 PolarHBondContact NH2-O 3.44Å; R250-I259 HydrophobicContact CG-CD1 3.93Å; R250-I259 VanDerWaalsContact CZ-CD1 3.42Å; R250-I259 VanDerWaalsContact NE-CD1 3.26Å; R250-D288 IonicContact CZ-OD2 3.48Å; R250-D288 IonicContact NH2-OD1 2.7Å; R250-D288 IonicContact NH2-OD2 3.71Å; R250-D288 PolarHBondContact NH2-OD2 2.81Å
251N98.5Very high98.5Very high120 Ų12032.9 Ų32.964%0.64217%0.174SC*.Iπ-helixtrans-101.7-40.8-167.2-53.2-40.6000112.3D247D247-N251 WeakPolarHBondContact O-CA 3.48Å; D247-N251 WeakPolarHBondContact O-CB 3.41Å; D247-N251 PolarHBondContact O-N 2.91Å; D247-N251 PolarHBondContact O-ND2 3.1Å
252E98.2Very high98.5Very high83 Ų8333.7 Ų33.739%0.38818%0.178SC..Iπ-helixtrans-83.1-53.7179-173.4171.1138.300110.9R205 L248 G254R205-E252 IonicContact CZ-OE1 3.88Å; R205-E252 IonicContact CZ-OE2 3.11Å; R205-E252 IonicContact NE-OE1 2.7Å; R205-E252 PolarHBondContact NE-OE1 2.94Å; R205-E252 IonicContact NE-OE2 2.73Å; R205-E252 IonicContact NH2-OE1 2.71Å; R205-E252 PolarHBondContact NH2-OE1 3.1Å; R205-E252 IonicContact NH2-OE2 2.7Å; R205-E252 PolarHBondContact NH2-OE2 3.24Å; L248-E252 HydrophobicContact CD2-CB 4.21Å; L248-E252 WeakPolarHBondContact CD2-OE2 3.41Å; L248-E252 WeakPolarHBondContact O-CA 3.4Å; L248-E252 VanDerWaalsContact O-CB 3.3Å; L248-E252 WeakPolarHBondContact O-CB 3.44Å; L248-E252 PolarHBondContact O-N 3.22Å; E252-G254 VanDerWaalsContact C-N 3.28Å; E252-G254 PolarHBondContact O-N 3.03Å
253L98.6Very high98.3Very high19 Ų1933.9 Ų33.910%0.09918%0.18CC..SBendtrans-79.7-12.3179.4-53.3-175.1000113.1F181 F209 F212 E213 I216 L248 F255F181-L253 HydrophobicContact CD2-CD1 4.3Å; F181-L253 HydrophobicContact CE2-CD1 3.53Å; F181-L253 HydrophobicContact CZ-CD1 4.03Å; F209-L253 HydrophobicContact CB-CD2 4.49Å; F209-L253 HydrophobicContact CD2-CD2 4.09Å; F212-L253 HydrophobicContact CB-CD1 4.16Å; E213-L253 HydrophobicContact CG-CD2 3.77Å; I216-L253 HydrophobicContact CD1-CB 3.58Å; I216-L253 HydrophobicContact CD1-CD1 4.2Å; L248-L253 PolarHBondContact O-N 3.11Å; L253-F255 VanDerWaalsContact C-N 3.26Å; L253-F255 PolarHBondContact O-N 2.71Å
254G98.4Very high98.2Very high32 Ų3229.2 Ų29.233%0.3316%0.159SC..  trans70.516175.300000114.8I249 R250 E252 K256I249-G254 PolarHBondContact O-N 3.13Å; R250-G254 WeakPolarHBondContact O-CA 3.3Å; E252-G254 VanDerWaalsContact C-N 3.28Å; E252-G254 PolarHBondContact O-N 3.03Å; G254-K256 VanDerWaalsContact O-CE 3.29Å; G254-K256 WeakPolarHBondContact O-CE 3.43Å
255F98.8Very high97.7Very high5 Ų528.9 Ų28.92%0.02216%0.155CC..  trans-67.6133.4-174.7-178.3-124000112.7I216 V220 D221 I223 I249 R250 L253 G257 V258 I259I216-F255 HydrophobicContact CD1-CB 3.83Å; I216-F255 HydrophobicContact CD1-CD2 4.45Å; I216-F255 HydrophobicContact CD1-CG 4.43Å; I216-F255 HydrophobicContact CG1-CB 4.13Å; I216-F255 HydrophobicContact CG1-CD2 3.83Å; I216-F255 HydrophobicContact CG1-CG 4.28Å; V220-F255 HydrophobicContact CG1-CD2 4.39Å; V220-F255 HydrophobicContact CG1-CE2 3.8Å; V220-F255 HydrophobicContact CG1-CZ 4.5Å; D221-F255 WeakPolarHBondContact O-CZ 3.48Å; I223-F255 HydrophobicContact CB-CD1 4.45Å; I223-F255 HydrophobicContact CB-CE1 4.08Å; I223-F255 HydrophobicContact CD1-CB 4.12Å; I223-F255 HydrophobicContact CD1-CD1 3.6Å; I223-F255 HydrophobicContact CD1-CD2 4.05Å; I223-F255 HydrophobicContact CD1-CE1 3.92Å; I223-F255 HydrophobicContact CD1-CE2 4.35Å; I223-F255 HydrophobicContact CD1-CG 3.65Å; I223-F255 HydrophobicContact CD1-CZ 4.27Å; I223-F255 HydrophobicContact CG1-CD1 3.94Å; I223-F255 HydrophobicContact CG1-CD2 4.48Å; I223-F255 HydrophobicContact CG1-CE1 3.7Å; I223-F255 HydrophobicContact CG1-CE2 4.28Å; I223-F255 HydrophobicContact CG1-CG 4.31Å; I223-F255 HydrophobicContact CG1-CZ 3.87Å; I249-F255 HydrophobicContact CG2-CB 3.78Å; I249-F255 HydrophobicContact CG2-CD1 3.75Å; I249-F255 HydrophobicContact CG2-CG 4.2Å; I249-F255 WeakPolarHBondContact O-CB 3.32Å; I249-F255 PolarHBondContact O-N 3.22Å; R250-F255 VanDerWaalsContact CD-O 3.25Å; R250-F255 WeakPolarHBondContact CD-O 3.49Å; R250-F255 PolarHBondContact NH1-O 2.99Å; L253-F255 VanDerWaalsContact C-N 3.26Å; L253-F255 PolarHBondContact O-N 2.71Å; F255-G257 WeakPolarHBondContact CE1-O 3.12Å; F255-V258 WeakPolarHBondContact CE1-O 3.3Å; F255-I259 HydrophobicContact CD1-CD1 4.45Å; F255-I259 HydrophobicContact CD1-CG1 3.84Å; F255-I259 HydrophobicContact CE1-CG1 3.92Å
256K98.2Very high97.2Very high149 Ų14929.1 Ų29.165%0.64816%0.156SC*.  trans-115.2-10-177.1-54.4-55.5171.8-157.40114.7R250 G254R250-K256 PolarHBondContact O-NZ 2.84Å; G254-K256 VanDerWaalsContact O-CE 3.29Å; G254-K256 WeakPolarHBondContact O-CE 3.43Å
257G98.5Very high96.3Very high22 Ų2230.4 Ų30.423%0.22717%0.167CC..SBendtrans-78.2-159.1177.800000113.1R250 F255 R322R250-G257 VanDerWaalsContact CZ-O 3.3Å; R250-G257 PolarHBondContact NH1-O 3.36Å; R250-G257 PolarHBondContact NH2-O 3.44Å; F255-G257 WeakPolarHBondContact CE1-O 3.12Å; G257-R322 WeakPolarHBondContact O-CD 3.45Å
258V98.9Very high95.3Very high1 Ų127.9 Ų27.91%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-83.3123.3-173.7168.40000110.9D221 S222 I223 F255 M260 D288 M289 R322 L323 W326D221-V258 PolarHBondContact O-N 3.1Å; S222-V258 CarbonylContact C-O 3.54Å; S222-V258 WeakPolarHBondContact CA-O 3.43Å; S222-V258 VanDerWaalsContact CB-O 3.25Å; S222-V258 WeakPolarHBondContact CB-O 3.46Å; I223-V258 PolarHBondContact N-O 3.19Å; F255-V258 WeakPolarHBondContact CE1-O 3.3Å; V258-M260 HydrophobicContact CG1-CE 3.86Å; V258-D288 HydrophobicContact CG1-CB 4.28Å; V258-M289 HydrophobicContact CG1-CB 4.04Å; V258-M289 HydrophobicContact CG1-SD 4.42Å; V258-R322 HydrophobicContact CG2-CB 4.04Å; V258-L323 HydrophobicContact CG1-CD2 3.93Å; V258-L323 HydrophobicContact CG2-CD2 3.87Å; V258-L323 HydrophobicContact CG2-CG 4.42Å; V258-W326 HydrophobicContact CB-CE3 4.01Å; V258-W326 HydrophobicContact CB-CZ3 4.07Å; V258-W326 HydrophobicContact CG1-CE3 4.3Å; V258-W326 HydrophobicContact CG1-CZ3 4.04Å; V258-W326 HydrophobicContact CG2-CD2 4.49Å; V258-W326 HydrophobicContact CG2-CE3 3.74Å; V258-W326 HydrophobicContact CG2-CZ3 4.31Å
259I98.9Very high94.8Very high0 Ų026.8 Ų26.80%015%0.148CC..EExtended strand (participates in β ladder)trans-93.7133.2167.1-58.9172.5000107.7I223 V225 I249 R250 F255 D288 M289I223-I259 WeakPolarHBondContact O-CA 3.38Å; V225-I259 HydrophobicContact CG2-CG2 3.51Å; I249-I259 HydrophobicContact CB-CD1 3.92Å; I249-I259 HydrophobicContact CD1-CD1 4.18Å; I249-I259 HydrophobicContact CD1-CG2 4.16Å; I249-I259 HydrophobicContact CG2-CD1 3.5Å; I249-I259 VanDerWaalsContact CG2-CD1 3.5Å; I249-I259 HydrophobicContact CG2-CG1 3.93Å; R250-I259 HydrophobicContact CG-CD1 3.93Å; R250-I259 VanDerWaalsContact CZ-CD1 3.42Å; R250-I259 VanDerWaalsContact NE-CD1 3.26Å; F255-I259 HydrophobicContact CD1-CD1 4.45Å; F255-I259 HydrophobicContact CD1-CG1 3.84Å; F255-I259 HydrophobicContact CE1-CG1 3.92Å; I259-D288 PolarHBondContact N-OD2 3.22Å; I259-D288 PolarHBondContact O-N 3.48Å; I259-M289 PolarHBondContact O-N 2.87Å
260M98.8Very high94.2Very high0 Ų028.6 Ų28.60%016%0.163CC..EExtended strand (participates in β ladder)trans-133.7153.4178.766.4-178.253.400112.4M23 M132 T177 I223 M224 V225 V258 N287 M289 W326M23-M260 HydrophobicContact CE-CE 4.39Å; M23-M260 HydrophobicContact CE-SD 3.8Å; M132-M260 HydrophobicContact CE-SD 4.41Å; M132-M260 HydrophobicContact SD-SD 4.26Å; T177-M260 HydrophobicContact CG2-SD 4.05Å; I223-M260 PolarHBondContact O-N 3.4Å; M224-M260 CarbonylContact C-O 3.56Å; M224-M260 WeakPolarHBondContact CA-O 3.41Å; M224-M260 HydrophobicContact CB-CG 4.15Å; M224-M260 HydrophobicContact CE-SD 4.19Å; M224-M260 HydrophobicContact CG-CG 4.49Å; V225-M260 PolarHBondContact N-O 3.29Å; V258-M260 HydrophobicContact CG1-CE 3.86Å; M260-N287 PolarHBondContact O-OD1 2.74Å; M260-M289 WeakPolarHBondContact CA-O 3.44Å; M260-M289 HydrophobicContact CB-CB 3.87Å; M260-M289 WeakPolarHBondContact CB-O 3.43Å; M260-M289 HydrophobicContact CE-CB 4.42Å; M260-M289 HydrophobicContact CE-CE 4.3Å; M260-M289 HydrophobicContact CE-CG 4.49Å; M260-M289 HydrophobicContact CE-SD 3.91Å; M260-W326 HydrophobicContact CE-CH2 4.03Å; M260-W326 HydrophobicContact CE-CZ3 3.79Å
261T98.5Very high93.6Very high0 Ų033.5 Ų33.50%019%0.191CC..EExtended strand (participates in β ladder)trans-71.1151.5171.467.10000110M264 A282 N287 M289 L291T261-M264 HydrophobicContact CG2-CE 3.63Å; T261-A282 HydrophobicContact CG2-CB 3.68Å; T261-N287 HydrophobicContact CG2-CB 4.28Å; T261-N287 VanDerWaalsContact CG2-CG 3.49Å; T261-N287 WeakPolarHBondContact CG2-OD1 3.44Å; T261-N287 PolarHBondContact N-OD1 2.87Å; T261-N287 VanDerWaalsContact N-OD1 3.1Å; T261-M289 PolarHBondContact N-O 2.99Å; T261-M289 VanDerWaalsContact N-O 3.14Å; T261-L291 PolarHBondContact OG1-N 3.38Å; T261-L291 VanDerWaalsContact OG1-N 3.08Å
262D96Very high93.2Very high18 Ų1832 Ų3210%0.09618%0.179CC..SBendtrans-63177.6149.6-151.9-15000109.8H180 M224 V225 H227 M264H180-D262 IonicContact CD2-OD2 3.9Å; H180-D262 PolarHBondContact CD2-OD2 3.4Å; M224-D262 HydrophobicContact CG-CB 4Å; M224-D262 HydrophobicContact SD-CB 4.14Å; V225-D262 WeakPolarHBondContact O-CB 3.19Å; V225-D262 PolarHBondContact O-N 2.77Å; H227-D262 PolarHBondContact NE2-O 3.39Å; D262-M264 PolarHBondContact O-N 3.38Å; D262-M264 VanDerWaalsContact O-N 3.13Å
263D95.4Very high92.9Very high5 Ų529.3 Ų29.33%0.02717%0.167CC..  trans-67111.2-171.2-160.6-35.7000113.4R25 F46 H227 D265 M266 L291R25-D263 VanDerWaalsContact CZ-CG 3.5Å; R25-D263 IonicContact CZ-OD1 3.56Å; R25-D263 IonicContact CZ-OD2 2.86Å; R25-D263 IonicContact NE-OD1 3.41Å; R25-D263 PolarHBondContact NE-OD1 3.31Å; R25-D263 IonicContact NE-OD2 2.99Å; R25-D263 PolarHBondContact NE-OD2 3.34Å; R25-D263 IonicContact NH2-OD1 2.8Å; R25-D263 PolarHBondContact NH2-OD1 3.05Å; R25-D263 IonicContact NH2-OD2 3.3Å; R25-D263 PolarHBondContact NH2-OD2 3.2Å; F46-D263 VanDerWaalsContact CZ-OD2 3.31Å; F46-D263 WeakPolarHBondContact CZ-OD2 3.48Å; H227-D263 PolarHBondContact NE2-O 2.91Å; D263-D265 PolarHBondContact O-N 3.06Å; D263-D265 WeakPolarHBondContact OD1-CB 3.46Å; D263-D265 PolarHBondContact OD1-N 3.22Å; D263-D265 VanDerWaalsContact OD1-N 3.13Å; D263-M266 HydrophobicContact CB-CG 4.18Å; D263-M266 HydrophobicContact CB-SD 4.29Å; D263-M266 VanDerWaalsContact O-CB 3.3Å; D263-M266 WeakPolarHBondContact O-CB 3.48Å; D263-M266 VanDerWaalsContact O-CG 3.23Å; D263-M266 WeakPolarHBondContact O-CG 3.37Å; D263-M266 PolarHBondContact O-N 2.91Å; D263-L291 HydrophobicContact CB-CD2 3.75Å; D263-L291 HydrophobicContact CB-CG 4.04Å
264M95.1Very high92.8Very high0 Ų031 Ų310%018%0.181CC..THydrogen-bonded Turntrans-61.5-19-176.4-69.3-164.617000114T261 D262 M266 L269 Q275 A278 A282 I290 L291T261-M264 HydrophobicContact CG2-CE 3.63Å; D262-M264 PolarHBondContact O-N 3.38Å; D262-M264 VanDerWaalsContact O-N 3.13Å; M264-M266 PolarHBondContact O-N 3.01Å; M264-L269 HydrophobicContact CB-CD2 3.83Å; M264-L269 HydrophobicContact CG-CD2 3.7Å; M264-L269 HydrophobicContact SD-CD2 4.46Å; M264-Q275 PolarHBondContact O-NE2 3.46Å; M264-Q275 PolarHBondContact O-OE1 3.01Å; M264-A278 HydrophobicContact SD-CB 3.98Å; M264-A282 HydrophobicContact CE-CB 3.29Å; M264-I290 HydrophobicContact CE-CB 4.29Å; M264-I290 HydrophobicContact CE-CG1 4.01Å; M264-I290 HydrophobicContact CE-CG2 3.51Å; M264-I290 HydrophobicContact CG-CG2 4.22Å; M264-I290 HydrophobicContact SD-CG2 3.48Å; M264-I290 WeakPolarHBondContact SD-CG2 3.42Å; M264-L291 WeakPolarHBondContact CB-O 3.37Å; M264-L291 WeakPolarHBondContact CG-O 3.23Å; M264-L291 PolarHBondContact N-O 3.39Å
265D89.5Confident92.6Very high44 Ų4431.3 Ų31.324%0.23517%0.173CC..THydrogen-bonded Turntrans-76.3-4.5177-59.6-4.9000112.5R25 D263 S293R25-D265 IonicContact CZ-OD2 3.85Å; R25-D265 VanDerWaalsContact CZ-OD2 3.3Å; R25-D265 IonicContact NE-OD2 3.75Å; R25-D265 VanDerWaalsContact NH1-CB 3.32Å; R25-D265 IonicContact NH1-OD2 2.72Å; R25-D265 PolarHBondContact NH1-OD2 3.31Å; D263-D265 PolarHBondContact O-N 3.06Å; D263-D265 WeakPolarHBondContact OD1-CB 3.46Å; D263-D265 PolarHBondContact OD1-N 3.22Å; D263-D265 VanDerWaalsContact OD1-N 3.13Å; D265-S293 PolarHBondContact OD1-N 2.81Å; D265-S293 VanDerWaalsContact OD1-N 3.13Å; D265-S293 WeakPolarHBondContact OD2-CB 3.4Å; D265-S293 PolarHBondContact OD2-OG 2.94Å
266M87.1Confident92.3Very high6 Ų635.6 Ų35.63%0.0319%0.193CC..SBendtrans-63.4135.8173.8-72.4172.663.800111.1S190 H191 D263 M264 G268 L269 A270S190-M266 VanDerWaalsContact OG-CE 3.23Å; S190-M266 WeakPolarHBondContact OG-CE 2.86Å; H191-M266 HydrophobicContact CB-CE 4.38Å; D263-M266 HydrophobicContact CB-CG 4.18Å; D263-M266 HydrophobicContact CB-SD 4.29Å; D263-M266 VanDerWaalsContact O-CB 3.3Å; D263-M266 WeakPolarHBondContact O-CB 3.48Å; D263-M266 VanDerWaalsContact O-CG 3.23Å; D263-M266 WeakPolarHBondContact O-CG 3.37Å; D263-M266 PolarHBondContact O-N 2.91Å; M264-M266 PolarHBondContact O-N 3.01Å; M266-G268 PolarHBondContact O-N 3.46Å; M266-G268 VanDerWaalsContact O-N 3.15Å; M266-L269 PolarHBondContact O-N 2.83Å; M266-L269 VanDerWaalsContact O-N 3.08Å; M266-A270 PolarHBondContact O-N 3.18Å
267A81Confident92.2Very high29 Ų2932.4 Ų32.424%0.2418%0.181CC..Hα-helixtrans-56.5-38.3-17200000112.7H191 L269 A270 D271H191-A267 VanDerWaalsContact O-CB 3.23Å; H191-A267 WeakPolarHBondContact O-CB 3.37Å; H191-A267 PolarHBondContact O-N 3.21Å; A267-L269 VanDerWaalsContact C-N 3.3Å; A267-L269 PolarHBondContact O-N 3.09Å; A267-A270 PolarHBondContact O-N 3.45Å; A267-D271 WeakPolarHBondContact O-CB 3.44Å; A267-D271 PolarHBondContact O-N 3.13Å
268G76.8Confident92.1Very high0 Ų031.4 Ų31.40%017%0.17CC..Hα-helixtrans-55.8-41.3178.900000113.8S190 E193 I194 M266S190-G268 PolarHBondContact O-N 3.21Å; E193-G268 VanDerWaalsContact C-CA 3.47Å; E193-G268 WeakPolarHBondContact O-CA 3.34Å; I194-G268 WeakPolarHBondContact CD1-O 3.29Å; M266-G268 PolarHBondContact O-N 3.46Å; M266-G268 VanDerWaalsContact O-N 3.15Å
269L87.3Confident92.1Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-80.2-42.8175.4-172.971.6000111.6H227 P238 I241 M264 M266 A267 D271 F272 I273H227-L269 HydrophobicContact CB-CB 4.42Å; P238-L269 HydrophobicContact CB-CD1 4.08Å; P238-L269 HydrophobicContact CG-CD1 3.99Å; I241-L269 HydrophobicContact CD1-CD1 4.07Å; I241-L269 HydrophobicContact CG1-CD1 4.34Å; I241-L269 HydrophobicContact CG2-CD1 4.37Å; M264-L269 HydrophobicContact CB-CD2 3.83Å; M264-L269 HydrophobicContact CG-CD2 3.7Å; M264-L269 HydrophobicContact SD-CD2 4.46Å; M266-L269 PolarHBondContact O-N 2.83Å; M266-L269 VanDerWaalsContact O-N 3.08Å; A267-L269 VanDerWaalsContact C-N 3.3Å; A267-L269 PolarHBondContact O-N 3.09Å; L269-D271 VanDerWaalsContact C-N 3.26Å; L269-D271 PolarHBondContact O-N 3.29Å; L269-F272 WeakPolarHBondContact O-CB 3.33Å; L269-F272 PolarHBondContact O-N 3.46Å; L269-I273 HydrophobicContact CD1-CG2 3.98Å; L269-I273 HydrophobicContact CG-CG2 4.12Å; L269-I273 PolarHBondContact O-N 2.71Å; L269-I273 VanDerWaalsContact O-N 3.14Å
270A86.9Confident92.1Very high38 Ų3831.5 Ų31.531%0.31417%0.171SC..Hα-helixtrans-63.6-29.8-175.500000113.8M266 A267 Q275M266-A270 PolarHBondContact O-N 3.18Å; A267-A270 PolarHBondContact O-N 3.45Å; A270-Q275 VanDerWaalsContact CA-NE2 3.34Å
271D85.7Confident92Very high133 Ų13334 Ų3471%0.71118%0.182SC*.THydrogen-bonded Turntrans-79.3-19.7174.1-70-18.6000112.7A267 L269A267-D271 WeakPolarHBondContact O-CB 3.44Å; A267-D271 PolarHBondContact O-N 3.13Å; L269-D271 VanDerWaalsContact C-N 3.26Å; L269-D271 PolarHBondContact O-N 3.29Å
272F89.7Confident92Very high89 Ų8934 Ų3439%0.3918%0.182SC..THydrogen-bonded Turntrans-87.5-39.1-176.6-174.9-87.4000112.9I229 Q236 R237 P238 I241 L269I229-F272 HydrophobicContact CD1-CE2 4.32Å; Q236-F272 WeakPolarHBondContact O-CZ 3.32Å; R237-F272 HydrophobicContact CG-CE1 4.46Å; R237-F272 HydrophobicContact CG-CZ 4.41Å; P238-F272 HydrophobicContact CG-CB 4.42Å; P238-F272 HydrophobicContact CG-CD1 3.91Å; P238-F272 HydrophobicContact CG-CD2 4.32Å; P238-F272 HydrophobicContact CG-CE1 4.31Å; P238-F272 HydrophobicContact CG-CG 3.94Å; I241-F272 HydrophobicContact CD1-CD1 4.08Å; I241-F272 HydrophobicContact CD1-CE1 4.07Å; L269-F272 WeakPolarHBondContact O-CB 3.33Å; L269-F272 PolarHBondContact O-N 3.46Å
273I93.4Very high92.2Very high26 Ų2633.3 Ų33.313%0.13318%0.179CC..SBendtrans-141.7148.5-175.5-175.4163.5000111I241 L269 Q275 E277 A278 Q281I241-I273 HydrophobicContact CD1-CD1 4.39Å; I241-I273 HydrophobicContact CD1-CG2 4.2Å; L269-I273 HydrophobicContact CD1-CG2 3.98Å; L269-I273 HydrophobicContact CG-CG2 4.12Å; L269-I273 PolarHBondContact O-N 2.71Å; L269-I273 VanDerWaalsContact O-N 3.14Å; I273-Q275 PolarHBondContact O-N 3.24Å; I273-E277 HydrophobicContact CD1-CB 4.15Å; I273-E277 HydrophobicContact CG1-CB 4.21Å; I273-A278 HydrophobicContact CG2-CB 3.83Å; I273-Q281 HydrophobicContact CD1-CB 4.06Å; I273-Q281 HydrophobicContact CD1-CG 3.48Å; I273-Q281 VanDerWaalsContact CD1-CG 3.48Å
274S95.4Very high92.3Very high55 Ų5535.9 Ų35.939%0.38519%0.19SC..  trans-59.9136.317376.70000110.5E276 E277 A278S274-E276 PolarHBondContact O-N 3.47Å; S274-E277 PolarHBondContact O-N 3.44Å; S274-E277 VanDerWaalsContact O-N 3.14Å; S274-E277 WeakPolarHBondContact OG-CB 3.29Å; S274-E277 VanDerWaalsContact OG-CG 3.25Å; S274-E277 WeakPolarHBondContact OG-CG 3.3Å; S274-E277 PolarHBondContact OG-N 2.92Å; S274-E277 PolarHBondContact OG-OE2 3.39Å; S274-A278 WeakPolarHBondContact O-CB 3.34Å; S274-A278 PolarHBondContact O-N 2.87Å
275Q94Very high92.5Very high37 Ų3736.1 Ų36.117%0.17319%0.193CC..Hα-helixtrans-60.9-31-178.8-73.1-64.2-44.600112.6M264 A270 I273 Q298M264-Q275 PolarHBondContact O-NE2 3.46Å; M264-Q275 PolarHBondContact O-OE1 3.01Å; A270-Q275 VanDerWaalsContact CA-NE2 3.34Å; I273-Q275 PolarHBondContact O-N 3.24Å; Q275-Q298 WeakPolarHBondContact O-CG 3.15Å; Q275-Q298 PolarHBondContact O-NE2 2.75Å
276E93.8Very high92.9Very high95 Ų9535.2 Ų35.244%0.44419%0.194SC..Hα-helixtrans-61.4-45.4175.5-174.8174.3-107.200112S274 Y301S274-E276 PolarHBondContact O-N 3.47Å; E276-Y301 HydrophobicContact CG-CD2 3.65Å; E276-Y301 HydrophobicContact CG-CE2 4.4Å; E276-Y301 HydrophobicContact CG-CG 3.77Å; E276-Y301 WeakPolarHBondContact O-CD1 3.48Å
277E95.8Very high93.5Very high83 Ų8335 Ų3539%0.38819%0.192SC..Hα-helixtrans-81.5-25.5179.9-65.3171.8144.300113.3I273 S274 G279 L280 Q281 Y301I273-E277 HydrophobicContact CD1-CB 4.15Å; I273-E277 HydrophobicContact CG1-CB 4.21Å; S274-E277 PolarHBondContact O-N 3.44Å; S274-E277 VanDerWaalsContact O-N 3.14Å; S274-E277 WeakPolarHBondContact OG-CB 3.29Å; S274-E277 VanDerWaalsContact OG-CG 3.25Å; S274-E277 WeakPolarHBondContact OG-CG 3.3Å; S274-E277 PolarHBondContact OG-N 2.92Å; S274-E277 PolarHBondContact OG-OE2 3.39Å; E277-G279 VanDerWaalsContact C-N 3.28Å; E277-G279 PolarHBondContact O-N 3.24Å; E277-L280 PolarHBondContact O-N 3.29Å; E277-L280 VanDerWaalsContact O-N 3.12Å; E277-Q281 PolarHBondContact O-N 2.95Å; E277-Y301 HydrophobicContact CB-CE1 4.4Å; E277-Y301 HydrophobicContact CG-CE1 4.06Å; E277-Y301 HydrophobicContact CG-CE2 4.4Å
278A96.9Very high94.3Very high0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-55.8-41.8-174.900000112.6M264 I273 S274 Q281 A282M264-A278 HydrophobicContact SD-CB 3.98Å; I273-A278 HydrophobicContact CG2-CB 3.83Å; S274-A278 WeakPolarHBondContact O-CB 3.34Å; S274-A278 PolarHBondContact O-N 2.87Å; A278-Q281 PolarHBondContact O-N 2.84Å; A278-A282 WeakPolarHBondContact O-CB 3.41Å; A278-A282 PolarHBondContact O-N 3.47Å
279G97.8Very high95.4Very high0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-57.3-51.6175.700000112.1E277 Q281 A282 L283 I290E277-G279 VanDerWaalsContact C-N 3.28Å; E277-G279 PolarHBondContact O-N 3.24Å; G279-Q281 PolarHBondContact O-N 2.93Å; G279-A282 PolarHBondContact O-N 3.39Å; G279-L283 WeakPolarHBondContact O-CG 3.15Å; G279-L283 PolarHBondContact O-N 3.45Å; G279-L283 VanDerWaalsContact O-N 3.12Å; G279-I290 WeakPolarHBondContact O-CD1 3.5Å
280L98.3Very high95.9Very high4 Ų433.6 Ų33.62%0.02118%0.181CC..Hα-helixtrans-62.2-43.7178.6179.964.8000111.8E277 A282 L283 Q284 Y301 I302 A305 Y311E277-L280 PolarHBondContact O-N 3.29Å; E277-L280 VanDerWaalsContact O-N 3.12Å; L280-A282 VanDerWaalsContact C-N 3.31Å; L280-A282 PolarHBondContact O-N 3.45Å; L280-L283 PolarHBondContact O-N 2.94Å; L280-Q284 HydrophobicContact CD1-CG 4.29Å; L280-Q284 HydrophobicContact CG-CG 4.38Å; L280-Q284 WeakPolarHBondContact O-CB 3.34Å; L280-Q284 WeakPolarHBondContact O-CG 3.49Å; L280-Q284 PolarHBondContact O-N 3.43Å; L280-Y301 HydrophobicContact CB-CD1 4.09Å; L280-Y301 HydrophobicContact CB-CE1 3.96Å; L280-Y301 HydrophobicContact CD2-CD1 4.27Å; L280-Y301 HydrophobicContact CD2-CE1 3.6Å; L280-Y301 HydrophobicContact CG-CE1 4.43Å; L280-I302 HydrophobicContact CB-CG1 4.13Å; L280-I302 HydrophobicContact CD1-CG1 4.42Å; L280-A305 HydrophobicContact CD1-CB 3.82Å; L280-A305 HydrophobicContact CD2-CB 3.56Å; L280-A305 HydrophobicContact CG-CB 4.33Å; L280-Y311 HydrophobicContact CD1-CG 4.38Å
281Q98.3Very high96.4Very high52 Ų5231.9 Ų31.924%0.24317%0.167CC..Hα-helixtrans-62.3-38.1178.1-73.9-58.7-56.800112.1I241 I273 E277 A278 G279 Q284 A285I241-Q281 HydrophobicContact CB-CB 4.26Å; I241-Q281 HydrophobicContact CG2-CB 4.22Å; I273-Q281 HydrophobicContact CD1-CB 4.06Å; I273-Q281 HydrophobicContact CD1-CG 3.48Å; I273-Q281 VanDerWaalsContact CD1-CG 3.48Å; E277-Q281 PolarHBondContact O-N 2.95Å; A278-Q281 PolarHBondContact O-N 2.84Å; G279-Q281 PolarHBondContact O-N 2.93Å; Q281-Q284 PolarHBondContact O-N 3.36Å; Q281-A285 WeakPolarHBondContact O-CB 3.44Å; Q281-A285 PolarHBondContact O-N 3.22Å
282A98.6Very high97Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-63.4-43.3175.100000112.4I241 T261 M264 A278 G279 L280 A285 G286 N287 I290I241-A282 HydrophobicContact CG2-CB 4.1Å; T261-A282 HydrophobicContact CG2-CB 3.68Å; M264-A282 HydrophobicContact CE-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.41Å; A278-A282 PolarHBondContact O-N 3.47Å; G279-A282 PolarHBondContact O-N 3.39Å; L280-A282 VanDerWaalsContact C-N 3.31Å; L280-A282 PolarHBondContact O-N 3.45Å; A282-A285 WeakPolarHBondContact O-CB 3.35Å; A282-A285 PolarHBondContact O-N 2.9Å; A282-G286 PolarHBondContact O-N 3.43Å; A282-G286 VanDerWaalsContact O-N 3.13Å; A282-N287 HydrophobicContact CB-CB 4.4Å; A282-N287 WeakPolarHBondContact O-CB 3.34Å; A282-N287 PolarHBondContact O-N 2.74Å; A282-N287 PolarHBondContact O-ND2 3.47Å; A282-I290 HydrophobicContact CB-CG1 4.3Å
283L98.7Very high97.3Very high3 Ų323.4 Ų23.42%0.01613%0.129CC..Hα-helixtrans-65.4-41.7175.8-62-177.9000112L21 G279 L280 A285 G286 N287 I290 I302 Y311L21-L283 HydrophobicContact CB-CD2 4.49Å; L21-L283 HydrophobicContact CD1-CD1 3.57Å; L21-L283 HydrophobicContact CD1-CD2 3.72Å; L21-L283 HydrophobicContact CD1-CG 4.3Å; G279-L283 WeakPolarHBondContact O-CG 3.15Å; G279-L283 PolarHBondContact O-N 3.45Å; G279-L283 VanDerWaalsContact O-N 3.12Å; L280-L283 PolarHBondContact O-N 2.94Å; L283-A285 VanDerWaalsContact C-N 3.28Å; L283-A285 PolarHBondContact O-N 2.6Å; L283-G286 PolarHBondContact O-N 2.87Å; L283-N287 WeakPolarHBondContact CD2-O 3.46Å; L283-I290 HydrophobicContact CD1-CD1 4.3Å; L283-I290 HydrophobicContact CD2-CD1 3.81Å; L283-I290 HydrophobicContact CD2-CG1 4.19Å; L283-I290 HydrophobicContact CG-CD1 3.86Å; L283-I302 HydrophobicContact CD1-CD1 3.82Å; L283-I302 HydrophobicContact CD1-CG1 4.3Å; L283-I302 HydrophobicContact CD1-CG2 4.07Å; L283-Y311 HydrophobicContact CB-CD2 4.34Å; L283-Y311 HydrophobicContact CB-CE1 4.41Å; L283-Y311 HydrophobicContact CB-CE2 3.76Å; L283-Y311 HydrophobicContact CD1-CE1 4.04Å
284Q98.5Very high97.4Very high59 Ų5923.6 Ų23.628%0.27613%0.132SC..Hα-helixtrans-65.9-31.3176.6-73.8178.1-21.400112.5L280 Q281 Q310 Y311L280-Q284 HydrophobicContact CD1-CG 4.29Å; L280-Q284 HydrophobicContact CG-CG 4.38Å; L280-Q284 WeakPolarHBondContact O-CB 3.34Å; L280-Q284 WeakPolarHBondContact O-CG 3.49Å; L280-Q284 PolarHBondContact O-N 3.43Å; Q281-Q284 PolarHBondContact O-N 3.36Å; Q284-Q310 PolarHBondContact NE2-O 2.96Å; Q284-Y311 HydrophobicContact CG-CD2 4.28Å
285A98.5Very high97.6Very high6 Ų621.4 Ų21.45%0.0512%0.116CC..Hα-helixtrans-67.2-38.317300000111.6I241 H246 Q281 A282 L283I241-A285 VanDerWaalsContact C-CB 3.5Å; H246-A285 WeakPolarHBondContact CB-O 3.39Å; H246-A285 VanDerWaalsContact CG-O 3.27Å; Q281-A285 WeakPolarHBondContact O-CB 3.44Å; Q281-A285 PolarHBondContact O-N 3.22Å; A282-A285 WeakPolarHBondContact O-CB 3.35Å; A282-A285 PolarHBondContact O-N 2.9Å; L283-A285 VanDerWaalsContact C-N 3.28Å; L283-A285 PolarHBondContact O-N 2.6Å
286G98.6Very high97.7Very high25 Ų2522.2 Ų22.226%0.25813%0.126SC..THydrogen-bonded Turntrans132.213.5175.200000115A282 L283A282-G286 PolarHBondContact O-N 3.43Å; A282-G286 VanDerWaalsContact O-N 3.13Å; L283-G286 PolarHBondContact O-N 2.87Å
287N98.8Very high97.9Very high0 Ų019.6 Ų19.60%012%0.118CC..  trans-66.7144.1169.4-66-85.8000109.7S240 H246 M260 T261 A282 L283S240-N287 PolarHBondContact O-ND2 3.1Å; H246-N287 PolarHBondContact CD2-N 2.97Å; H246-N287 PolarHBondContact CE1-ND2 3.18Å; H246-N287 PolarHBondContact NE2-ND2 3.38Å; H246-N287 PolarHBondContact NE2-OD1 3.05Å; M260-N287 PolarHBondContact O-OD1 2.74Å; T261-N287 HydrophobicContact CG2-CB 4.28Å; T261-N287 VanDerWaalsContact CG2-CG 3.49Å; T261-N287 WeakPolarHBondContact CG2-OD1 3.44Å; T261-N287 PolarHBondContact N-OD1 2.87Å; T261-N287 VanDerWaalsContact N-OD1 3.1Å; A282-N287 HydrophobicContact CB-CB 4.4Å; A282-N287 WeakPolarHBondContact O-CB 3.34Å; A282-N287 PolarHBondContact O-N 2.74Å; A282-N287 PolarHBondContact O-ND2 3.47Å; L283-N287 WeakPolarHBondContact CD2-O 3.46Å
288D98.9Very high98Very high1 Ų115.7 Ų15.71%0.00510%0.099CC..SBendtrans-97.3-20.7169.3-48.7-71.4000112L21 R250 V258 I259 S319 R322 L323L21-D288 WeakPolarHBondContact CD2-O 3.04Å; R250-D288 IonicContact CZ-OD2 3.48Å; R250-D288 IonicContact NH2-OD1 2.7Å; R250-D288 IonicContact NH2-OD2 3.71Å; R250-D288 PolarHBondContact NH2-OD2 2.81Å; V258-D288 HydrophobicContact CG1-CB 4.28Å; I259-D288 PolarHBondContact N-OD2 3.22Å; I259-D288 PolarHBondContact O-N 3.48Å; D288-S319 WeakPolarHBondContact OD1-CA 3.29Å; D288-S319 WeakPolarHBondContact OD1-CB 3.29Å; D288-S319 PolarHBondContact OD1-OG 2.84Å; D288-R322 IonicContact OD1-CZ 3.48Å; D288-R322 IonicContact OD1-NH1 3.7Å; D288-R322 PolarHBondContact OD1-NH1 3.25Å; D288-L323 WeakPolarHBondContact O-CD1 3.43Å
289M98.8Very high98.1Very high0 Ų016 Ų160%010%0.101CC..BIsolated β-bridgetrans-139.5135.2-177.4-163.7159154.300111.2L21 M23 F74 L130 V258 I259 M260 T261 L323L21-M289 CarbonylContact O-C 3.6Å; L21-M289 VanDerWaalsContact O-CA 3.24Å; L21-M289 WeakPolarHBondContact O-CA 3.45Å; M23-M289 HydrophobicContact CB-CE 3.46Å; M23-M289 VanDerWaalsContact CB-CE 3.46Å; M23-M289 HydrophobicContact CB-CG 4.19Å; M23-M289 HydrophobicContact CE-CE 3.86Å; M23-M289 HydrophobicContact CG-CE 3.78Å; M23-M289 HydrophobicContact SD-CE 3.38Å; M23-M289 WeakPolarHBondContact SD-CE 3.33Å; F74-M289 HydrophobicContact CB-CE 4.3Å; F74-M289 HydrophobicContact CD2-CE 3.69Å; F74-M289 HydrophobicContact CD2-SD 4.04Å; F74-M289 HydrophobicContact CE2-CE 4.36Å; F74-M289 HydrophobicContact CE2-SD 4.14Å; F74-M289 HydrophobicContact CG-CE 4.3Å; L130-M289 HydrophobicContact CD1-CE 4.38Å; V258-M289 HydrophobicContact CG1-CB 4.04Å; V258-M289 HydrophobicContact CG1-SD 4.42Å; I259-M289 PolarHBondContact O-N 2.87Å; M260-M289 WeakPolarHBondContact CA-O 3.44Å; M260-M289 HydrophobicContact CB-CB 3.87Å; M260-M289 WeakPolarHBondContact CB-O 3.43Å; M260-M289 HydrophobicContact CE-CB 4.42Å; M260-M289 HydrophobicContact CE-CE 4.3Å; M260-M289 HydrophobicContact CE-CG 4.49Å; M260-M289 HydrophobicContact CE-SD 3.91Å; T261-M289 PolarHBondContact N-O 2.99Å; T261-M289 VanDerWaalsContact N-O 3.14Å; M289-L323 HydrophobicContact CB-CD2 4.06Å; M289-L323 HydrophobicContact CG-CD2 4.22Å; M289-L323 HydrophobicContact SD-CD2 3.46Å; M289-L323 WeakPolarHBondContact SD-CD2 3.49Å
290I98.7Very high98.1Very high0 Ų019.1 Ų19.10%012%0.121CC..EExtended strand (participates in β ladder)trans-108.3123.4-178.8-67.1159.3000108.4L21 F22 M23 M264 G279 A282 L283 I302L21-I290 PolarHBondContact O-N 2.91Å; F22-I290 HydrophobicContact CD1-CB 3.99Å; F22-I290 HydrophobicContact CD1-CG2 3.94Å; F22-I290 HydrophobicContact CE1-CB 3.91Å; F22-I290 HydrophobicContact CE1-CD1 3.78Å; F22-I290 HydrophobicContact CE1-CG1 4.49Å; F22-I290 HydrophobicContact CE1-CG2 3.69Å; F22-I290 HydrophobicContact CE2-CD1 4.2Å; F22-I290 HydrophobicContact CZ-CD1 3.6Å; M23-I290 PolarHBondContact N-O 3.47Å; M264-I290 HydrophobicContact CE-CB 4.29Å; M264-I290 HydrophobicContact CE-CG1 4.01Å; M264-I290 HydrophobicContact CE-CG2 3.51Å; M264-I290 HydrophobicContact CG-CG2 4.22Å; M264-I290 HydrophobicContact SD-CG2 3.48Å; M264-I290 WeakPolarHBondContact SD-CG2 3.42Å; G279-I290 WeakPolarHBondContact O-CD1 3.5Å; A282-I290 HydrophobicContact CB-CG1 4.3Å; L283-I290 HydrophobicContact CD1-CD1 4.3Å; L283-I290 HydrophobicContact CD2-CD1 3.81Å; L283-I290 HydrophobicContact CD2-CG1 4.19Å; L283-I290 HydrophobicContact CG-CD1 3.86Å; I290-I302 HydrophobicContact CD1-CD1 4.33Å
291L98.3Very high98.1Very high2 Ų221.9 Ų21.91%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-90.5107.9167.7178.157.3000109.2M23 L44 M224 T261 D263 M264M23-L291 HydrophobicContact CB-CD1 4.3Å; M23-L291 HydrophobicContact CE-CB 4.1Å; M23-L291 HydrophobicContact CE-CD1 4.07Å; M23-L291 HydrophobicContact CE-CD2 4.44Å; M23-L291 HydrophobicContact CE-CG 4.42Å; M23-L291 HydrophobicContact CG-CD1 4.08Å; M23-L291 VanDerWaalsContact O-CA 3.29Å; M23-L291 WeakPolarHBondContact O-CA 3.27Å; M23-L291 WeakPolarHBondContact O-CD1 3.36Å; L44-L291 HydrophobicContact CB-CD1 3.93Å; L44-L291 HydrophobicContact CD2-CD1 3.69Å; L44-L291 HydrophobicContact CD2-CD2 3.52Å; L44-L291 HydrophobicContact CD2-CG 4.27Å; L44-L291 HydrophobicContact CG-CD1 4.45Å; M224-L291 HydrophobicContact CE-CD2 4.42Å; T261-L291 PolarHBondContact OG1-N 3.38Å; T261-L291 VanDerWaalsContact OG1-N 3.08Å; D263-L291 HydrophobicContact CB-CD2 3.75Å; D263-L291 HydrophobicContact CB-CG 4.04Å; M264-L291 WeakPolarHBondContact CB-O 3.37Å; M264-L291 WeakPolarHBondContact CG-O 3.23Å; M264-L291 PolarHBondContact N-O 3.39Å
292S97.1Very high98.2Very high0 Ų019.4 Ų19.40%012%0.12CC..  trans-159.6150.4-178.9-172.80000113M23 A24 S294 Q298M23-S292 PolarHBondContact O-N 3.1Å; A24-S292 WeakPolarHBondContact CA-O 3.3Å; S292-S294 PolarHBondContact OG-N 2.78Å; S292-Q298 PolarHBondContact OG-NE2 3.03Å; S292-Q298 PolarHBondContact OG-OE1 2.88Å
293S95.9Very high98.2Very high44 Ų4421.2 Ų21.231%0.30813%0.13SC..SBendtrans-90.6-5.9167.1-49.20000113.3R25 D265 Y295R25-S293 WeakPolarHBondContact CB-OG 3.28Å; R25-S293 VanDerWaalsContact CD-OG 3.26Å; R25-S293 WeakPolarHBondContact CD-OG 3.46Å; R25-S293 WeakPolarHBondContact CG-OG 3.47Å; D265-S293 PolarHBondContact OD1-N 2.81Å; D265-S293 VanDerWaalsContact OD1-N 3.13Å; D265-S293 WeakPolarHBondContact OD2-CB 3.4Å; D265-S293 PolarHBondContact OD2-OG 2.94Å; S293-Y295 VanDerWaalsContact C-N 3.29Å; S293-Y295 PolarHBondContact O-N 2.76Å
294S96.8Very high98.1Very high29 Ų2925 Ų2520%0.20315%0.147CC..  trans-91.718.3-177.6-60.10000113.2S292 S296 S297 Q298S292-S294 PolarHBondContact OG-N 2.78Å; S294-S296 PolarHBondContact O-N 2.73Å; S294-S297 PolarHBondContact O-N 3.13Å; S294-S297 VanDerWaalsContact O-N 3.11Å; S294-S297 PolarHBondContact O-OG 3.36Å; S294-S297 VanDerWaalsContact O-OG 3.11Å; S294-Q298 VanDerWaalsContact C-OE1 3.27Å; S294-Q298 VanDerWaalsContact O-CG 3.31Å; S294-Q298 WeakPolarHBondContact O-CG 3.24Å; S294-Q298 PolarHBondContact O-N 3.35Å; S294-Q298 PolarHBondContact O-OE1 3.01Å
295Y97.6Very high98.1Very high9 Ų922.3 Ų22.34%0.03514%0.135CC..Hα-helixtrans-54.3-30.4-177.755.6-96.9000113.3A24 P27 D34 Y38 L40 S293 S297 Q298 I299A24-Y295 HydrophobicContact CB-CD1 3.48Å; A24-Y295 VanDerWaalsContact CB-CD1 3.48Å; A24-Y295 HydrophobicContact CB-CE1 3.51Å; A24-Y295 HydrophobicContact CB-CG 4.41Å; P27-Y295 WeakPolarHBondContact CB-OH 3.32Å; P27-Y295 WeakPolarHBondContact CG-OH 3.38Å; D34-Y295 HydrophobicContact CB-CE2 4.1Å; D34-Y295 WeakPolarHBondContact OD2-CE2 3.46Å; D34-Y295 PolarHBondContact OD2-OH 3.45Å; Y38-Y295 AromaticContact CD2-CD2 3.87Å; Y38-Y295 HydrophobicContact CD2-CD2 3.87Å; Y38-Y295 AromaticContact CD2-CE2 3.73Å; Y38-Y295 HydrophobicContact CD2-CE2 3.73Å; Y38-Y295 HydrophobicContact CE2-CD2 4.27Å; Y38-Y295 AromaticContact CE2-CE2 4Å; Y38-Y295 HydrophobicContact CE2-CE2 4Å; Y38-Y295 HydrophobicContact CG-CD2 4.03Å; Y38-Y295 HydrophobicContact CG-CE2 4.35Å; L40-Y295 HydrophobicContact CD1-CE2 4.35Å; L40-Y295 HydrophobicContact CD2-CD2 3.92Å; L40-Y295 HydrophobicContact CD2-CE2 4.48Å; L40-Y295 HydrophobicContact CD2-CG 3.98Å; S293-Y295 VanDerWaalsContact C-N 3.29Å; S293-Y295 PolarHBondContact O-N 2.76Å; Y295-S297 VanDerWaalsContact C-N 3.32Å; Y295-S297 PolarHBondContact O-N 2.83Å; Y295-Q298 PolarHBondContact O-N 3.34Å; Y295-I299 VanDerWaalsContact O-CB 3.31Å; Y295-I299 WeakPolarHBondContact O-CB 3.34Å; Y295-I299 WeakPolarHBondContact O-CG1 3.44Å; Y295-I299 PolarHBondContact O-N 2.94Å
296S97.3Very high98.1Very high55 Ų5522.7 Ų22.739%0.38514%0.136SC..Hα-helixtrans-67.3-27.4-178.157.90000114Y38 S294 P300Y38-S296 VanDerWaalsContact OH-CB 3.27Å; Y38-S296 WeakPolarHBondContact OH-CB 3.35Å; S294-S296 PolarHBondContact O-N 2.73Å; S296-P300 VanDerWaalsContact O-CD 3.27Å; S296-P300 WeakPolarHBondContact O-CD 3.29Å; S296-P300 WeakPolarHBondContact O-CG 3.43Å
297S97.6Very high98.1Very high40 Ų4028.7 Ų28.728%0.2816%0.155SC..Hα-helixtrans-95.3-36.4169.861.10000112.1S294 Y295 P300 Y301S294-S297 PolarHBondContact O-N 3.13Å; S294-S297 VanDerWaalsContact O-N 3.11Å; S294-S297 PolarHBondContact O-OG 3.36Å; S294-S297 VanDerWaalsContact O-OG 3.11Å; Y295-S297 VanDerWaalsContact C-N 3.32Å; Y295-S297 PolarHBondContact O-N 2.83Å; S297-P300 WeakPolarHBondContact O-CD 3.08Å; S297-Y301 WeakPolarHBondContact O-CB 3.44Å; S297-Y301 PolarHBondContact O-N 3Å
298Q98.5Very high98.1Very high0 Ų033.2 Ų33.20%018%0.18CC..Hα-helixtrans-66.5-42.3-177.4-69.6167.1-29.300113.1F22 Q275 S292 S294 Y295 Y301 I302F22-Q298 HydrophobicContact CE1-CB 3.85Å; F22-Q298 VanDerWaalsContact CE1-OE1 3.27Å; F22-Q298 HydrophobicContact CZ-CB 3.77Å; Q275-Q298 WeakPolarHBondContact O-CG 3.15Å; Q275-Q298 PolarHBondContact O-NE2 2.75Å; S292-Q298 PolarHBondContact OG-NE2 3.03Å; S292-Q298 PolarHBondContact OG-OE1 2.88Å; S294-Q298 VanDerWaalsContact C-OE1 3.27Å; S294-Q298 VanDerWaalsContact O-CG 3.31Å; S294-Q298 WeakPolarHBondContact O-CG 3.24Å; S294-Q298 PolarHBondContact O-N 3.35Å; S294-Q298 PolarHBondContact O-OE1 3.01Å; Y295-Q298 PolarHBondContact O-N 3.34Å; Q298-Y301 PolarHBondContact O-N 3.18Å; Q298-I302 WeakPolarHBondContact O-CB 3.45Å; Q298-I302 WeakPolarHBondContact O-CD1 3.48Å; Q298-I302 VanDerWaalsContact O-CG1 3.28Å; Q298-I302 WeakPolarHBondContact O-CG1 3.43Å; Q298-I302 PolarHBondContact O-N 3.3Å
299I98.7Very high98Very high7 Ų736.3 Ų36.34%0.03621%0.211CC..Hα-helixtrans-63.5-52.4-178-71.7167.3000111.3V18 F22 Y38 L40 Y295 Y301 I302 L303V18-I299 HydrophobicContact CG1-CB 4.39Å; V18-I299 HydrophobicContact CG1-CG1 4.29Å; V18-I299 HydrophobicContact CG1-CG2 4Å; F22-I299 HydrophobicContact CD2-CD1 3.78Å; F22-I299 HydrophobicContact CD2-CG1 3.49Å; F22-I299 VanDerWaalsContact CD2-CG1 3.49Å; F22-I299 HydrophobicContact CE2-CD1 4.14Å; F22-I299 HydrophobicContact CE2-CG1 3.32Å; F22-I299 HydrophobicContact CG-CD1 4.15Å; F22-I299 HydrophobicContact CG-CG1 4.18Å; F22-I299 HydrophobicContact CZ-CG1 3.87Å; Y38-I299 HydrophobicContact CD1-CB 4.38Å; Y38-I299 HydrophobicContact CD1-CD1 3.98Å; Y38-I299 HydrophobicContact CD1-CG2 4.43Å; Y38-I299 HydrophobicContact CG-CD1 4.2Å; L40-I299 HydrophobicContact CD2-CD1 4.12Å; Y295-I299 VanDerWaalsContact O-CB 3.31Å; Y295-I299 WeakPolarHBondContact O-CB 3.34Å; Y295-I299 WeakPolarHBondContact O-CG1 3.44Å; Y295-I299 PolarHBondContact O-N 2.94Å; I299-Y301 VanDerWaalsContact C-N 3.28Å; I299-Y301 PolarHBondContact O-N 3.49Å; I299-I302 PolarHBondContact O-N 2.94Å; I299-L303 HydrophobicContact CG2-CD1 3.98Å; I299-L303 WeakPolarHBondContact O-CG 3.42Å; I299-L303 PolarHBondContact O-N 3.46Å
300P98.4Very high97.9Very high65 Ų6541.2 Ų41.242%0.42223%0.234SC..Hα-helixtrans-57.4-39.7174-26.435.3000113.3S296 S297 L303 E304S296-P300 VanDerWaalsContact O-CD 3.27Å; S296-P300 WeakPolarHBondContact O-CD 3.29Å; S296-P300 WeakPolarHBondContact O-CG 3.43Å; S297-P300 WeakPolarHBondContact O-CD 3.08Å; P300-L303 PolarHBondContact O-N 3.23Å; P300-E304 PolarHBondContact O-N 2.92Å
301Y98.5Very high97.9Very high63 Ų6341.4 Ų41.425%0.24724%0.235CC..Hα-helixtrans-62.3-44.9178.1-172.8-96.8000112E276 E277 L280 S297 Q298 I299 E304 A305E276-Y301 HydrophobicContact CG-CD2 3.65Å; E276-Y301 HydrophobicContact CG-CE2 4.4Å; E276-Y301 HydrophobicContact CG-CG 3.77Å; E276-Y301 WeakPolarHBondContact O-CD1 3.48Å; E277-Y301 HydrophobicContact CB-CE1 4.4Å; E277-Y301 HydrophobicContact CG-CE1 4.06Å; E277-Y301 HydrophobicContact CG-CE2 4.4Å; L280-Y301 HydrophobicContact CB-CD1 4.09Å; L280-Y301 HydrophobicContact CB-CE1 3.96Å; L280-Y301 HydrophobicContact CD2-CD1 4.27Å; L280-Y301 HydrophobicContact CD2-CE1 3.6Å; L280-Y301 HydrophobicContact CG-CE1 4.43Å; S297-Y301 WeakPolarHBondContact O-CB 3.44Å; S297-Y301 PolarHBondContact O-N 3Å; Q298-Y301 PolarHBondContact O-N 3.18Å; I299-Y301 VanDerWaalsContact C-N 3.28Å; I299-Y301 PolarHBondContact O-N 3.49Å; Y301-E304 PolarHBondContact O-N 3.37Å; Y301-A305 WeakPolarHBondContact O-CB 3.12Å; Y301-A305 PolarHBondContact O-N 3.06Å
302I98.7Very high97.9Very high0 Ų043.5 Ų43.50%025%0.25CC..Hα-helixtrans-65.1-40.3176.7-69.8159.9000111.4V18 F22 L280 L283 I290 Q298 I299 E304 A305 I306V18-I302 HydrophobicContact CG1-CB 4.08Å; V18-I302 HydrophobicContact CG1-CG2 3.76Å; V18-I302 HydrophobicContact CG2-CG2 4.07Å; F22-I302 HydrophobicContact CE2-CD1 3.87Å; F22-I302 HydrophobicContact CZ-CD1 3.56Å; L280-I302 HydrophobicContact CB-CG1 4.13Å; L280-I302 HydrophobicContact CD1-CG1 4.42Å; L283-I302 HydrophobicContact CD1-CD1 3.82Å; L283-I302 HydrophobicContact CD1-CG1 4.3Å; L283-I302 HydrophobicContact CD1-CG2 4.07Å; I290-I302 HydrophobicContact CD1-CD1 4.33Å; Q298-I302 WeakPolarHBondContact O-CB 3.45Å; Q298-I302 WeakPolarHBondContact O-CD1 3.48Å; Q298-I302 VanDerWaalsContact O-CG1 3.28Å; Q298-I302 WeakPolarHBondContact O-CG1 3.43Å; Q298-I302 PolarHBondContact O-N 3.3Å; I299-I302 PolarHBondContact O-N 2.94Å; I302-E304 VanDerWaalsContact C-N 3.34Å; I302-E304 PolarHBondContact O-N 3.41Å; I302-A305 WeakPolarHBondContact O-CB 3.42Å; I302-A305 PolarHBondContact O-N 3.34Å; I302-I306 HydrophobicContact CG2-CD1 3.85Å; I302-I306 HydrophobicContact CG2-CG1 4.39Å; I302-I306 VanDerWaalsContact O-CG1 3.3Å; I302-I306 WeakPolarHBondContact O-CG1 3.25Å; I302-I306 PolarHBondContact O-N 2.9Å
303L98.7Very high97.9Very high38 Ų3848.8 Ų48.820%0.19928%0.275CS..Hα-helixtrans-59.8-44.3176.4-73.1166.5000111.7L14 E15 V18 I299 P300 I306 K307L14-L303 HydrophobicContact CB-CD2 4.48Å; L14-L303 HydrophobicContact CD2-CD2 3.98Å; L14-L303 HydrophobicContact CG-CD2 3.75Å; E15-L303 HydrophobicContact CG-CD1 3.98Å; E15-L303 HydrophobicContact CG-CD2 4.25Å; V18-L303 HydrophobicContact CB-CD2 4.18Å; V18-L303 HydrophobicContact CB-CG 4.48Å; V18-L303 HydrophobicContact CG1-CG 4.48Å; V18-L303 HydrophobicContact CG2-CD2 3.74Å; V18-L303 HydrophobicContact CG2-CG 4.3Å; I299-L303 HydrophobicContact CG2-CD1 3.98Å; I299-L303 WeakPolarHBondContact O-CG 3.42Å; I299-L303 PolarHBondContact O-N 3.46Å; P300-L303 PolarHBondContact O-N 3.23Å; L303-I306 PolarHBondContact O-N 2.87Å; L303-K307 PolarHBondContact O-N 2.7Å; L303-K307 VanDerWaalsContact O-N 3.14Å
304E98.5Very high98Very high82 Ų8253.1 Ų53.138%0.38329%0.29SS..Hα-helixtrans-68.9-37176-172.458.2-150.200111.6P300 Y301 I302 I306 K307 N308P300-E304 PolarHBondContact O-N 2.92Å; Y301-E304 PolarHBondContact O-N 3.37Å; I302-E304 VanDerWaalsContact C-N 3.34Å; I302-E304 PolarHBondContact O-N 3.41Å; E304-I306 VanDerWaalsContact C-N 3.34Å; E304-I306 PolarHBondContact O-N 2.94Å; E304-K307 PolarHBondContact O-N 2.73Å; E304-K307 IonicContact OE1-NZ 3.22Å; E304-K307 PolarHBondContact OE1-NZ 2.79Å; E304-K307 IonicContact OE2-NZ 3.24Å; E304-K307 PolarHBondContact OE2-NZ 3.37Å; E304-N308 WeakPolarHBondContact CG-ND2 3.15Å; E304-N308 WeakPolarHBondContact O-CB 3.28Å; E304-N308 VanDerWaalsContact O-CG 3.28Å; E304-N308 PolarHBondContact O-N 3.38Å; E304-N308 PolarHBondContact O-ND2 3.23Å; E304-N308 PolarHBondContact OE1-ND2 3.01Å
305A98.4Very high98Very high2 Ų255.6 Ų55.62%0.01730%0.298CS..Hα-helixtrans-62.2-38.3174.200000112.7L280 Y301 I302 N308 G309 Q310L280-A305 HydrophobicContact CD1-CB 3.82Å; L280-A305 HydrophobicContact CD2-CB 3.56Å; L280-A305 HydrophobicContact CG-CB 4.33Å; Y301-A305 WeakPolarHBondContact O-CB 3.12Å; Y301-A305 PolarHBondContact O-N 3.06Å; I302-A305 WeakPolarHBondContact O-CB 3.42Å; I302-A305 PolarHBondContact O-N 3.34Å; A305-N308 CarbonylContact O-C 3.57Å; A305-N308 PolarHBondContact O-N 3.12Å; A305-G309 PolarHBondContact O-N 3.34Å; A305-G309 VanDerWaalsContact O-N 3.14Å; A305-Q310 HydrophobicContact CB-CB 4.14Å; A305-Q310 WeakPolarHBondContact O-CB 3.25Å; A305-Q310 PolarHBondContact O-N 2.62Å
306I98.5Very high98.1Very high14 Ų1455.2 Ų55.27%0.07230%0.297CS..Hα-helixtrans-64.3-49174.8-69.9160.6000110.4L14 V18 I302 L303 E304 N308 G309 Y311 E313 L316L14-I306 HydrophobicContact CD1-CD1 4.23Å; L14-I306 HydrophobicContact CD1-CG2 4.32Å; L14-I306 HydrophobicContact CD2-CG2 4.21Å; V18-I306 HydrophobicContact CG2-CD1 3.59Å; I302-I306 HydrophobicContact CG2-CD1 3.85Å; I302-I306 HydrophobicContact CG2-CG1 4.39Å; I302-I306 VanDerWaalsContact O-CG1 3.3Å; I302-I306 WeakPolarHBondContact O-CG1 3.25Å; I302-I306 PolarHBondContact O-N 2.9Å; L303-I306 PolarHBondContact O-N 2.87Å; E304-I306 VanDerWaalsContact C-N 3.34Å; E304-I306 PolarHBondContact O-N 2.94Å; I306-N308 PolarHBondContact O-N 3.25Å; I306-G309 PolarHBondContact O-N 3.42Å; I306-Y311 WeakPolarHBondContact CA-O 3.29Å; I306-Y311 HydrophobicContact CD1-CD1 4.17Å; I306-Y311 HydrophobicContact CG1-CD1 3.85Å; I306-Y311 HydrophobicContact CG1-CG 4.5Å; I306-E313 HydrophobicContact CG2-CG 4.07Å; I306-L316 HydrophobicContact CD1-CD2 4.02Å
307K97.9Very high98.1Very high151 Ų15154.7 Ų54.766%0.65729%0.29SS*.Hα-helixtrans-58.8-33.7177.2178.4-179.7154.2-140.40112.5L303 E304 G309L303-K307 PolarHBondContact O-N 2.7Å; L303-K307 VanDerWaalsContact O-N 3.14Å; E304-K307 PolarHBondContact O-N 2.73Å; E304-K307 IonicContact OE1-NZ 3.22Å; E304-K307 PolarHBondContact OE1-NZ 2.79Å; E304-K307 IonicContact OE2-NZ 3.24Å; E304-K307 PolarHBondContact OE2-NZ 3.37Å; K307-G309 VanDerWaalsContact C-N 3.31Å
308N97.9Very high98.2Very high96 Ų9656.4 Ų56.451%0.51329%0.293SS..THydrogen-bonded Turntrans-85.52176.4-67.3-34.7000114E304 A305 I306 Q310E304-N308 WeakPolarHBondContact CG-ND2 3.15Å; E304-N308 WeakPolarHBondContact O-CB 3.28Å; E304-N308 VanDerWaalsContact O-CG 3.28Å; E304-N308 PolarHBondContact O-N 3.38Å; E304-N308 PolarHBondContact O-ND2 3.23Å; E304-N308 PolarHBondContact OE1-ND2 3.01Å; A305-N308 CarbonylContact O-C 3.57Å; A305-N308 PolarHBondContact O-N 3.12Å; I306-N308 PolarHBondContact O-N 3.25Å; N308-Q310 VanDerWaalsContact C-N 3.32Å; N308-Q310 HydrophobicContact CB-CG 4.46Å; N308-Q310 PolarHBondContact O-N 3.41Å
309G97.1Very high98.2Very high65 Ų6556.7 Ų56.767%0.6730%0.295SS*.THydrogen-bonded Turntrans75.415.517700000114.9A305 I306 K307A305-G309 PolarHBondContact O-N 3.34Å; A305-G309 VanDerWaalsContact O-N 3.14Å; I306-G309 PolarHBondContact O-N 3.42Å; K307-G309 VanDerWaalsContact C-N 3.31Å
310Q97.6Very high98.2Very high104 Ų10456.4 Ų56.449%0.48629%0.294SS..SBendtrans-81.9-19.2177.8-62175.4-56.400112.6Q284 A305 N308Q284-Q310 PolarHBondContact NE2-O 2.96Å; A305-Q310 HydrophobicContact CB-CB 4.14Å; A305-Q310 WeakPolarHBondContact O-CB 3.25Å; A305-Q310 PolarHBondContact O-N 2.62Å; N308-Q310 VanDerWaalsContact C-N 3.32Å; N308-Q310 HydrophobicContact CB-CG 4.46Å; N308-Q310 PolarHBondContact O-N 3.41Å
311Y97.9Very high98.2Very high3 Ų356.7 Ų56.71%0.01229%0.289CS..SBendtrans-140.9127.4170.7-174.1-115.2000108.9L280 L283 Q284 I306 Q315 L316L280-Y311 HydrophobicContact CD1-CG 4.38Å; L283-Y311 HydrophobicContact CB-CD2 4.34Å; L283-Y311 HydrophobicContact CB-CE1 4.41Å; L283-Y311 HydrophobicContact CB-CE2 3.76Å; L283-Y311 HydrophobicContact CD1-CE1 4.04Å; Q284-Y311 HydrophobicContact CG-CD2 4.28Å; I306-Y311 WeakPolarHBondContact CA-O 3.29Å; I306-Y311 HydrophobicContact CD1-CD1 4.17Å; I306-Y311 HydrophobicContact CG1-CD1 3.85Å; I306-Y311 HydrophobicContact CG1-CG 4.5Å; Y311-Q315 HydrophobicContact CD2-CB 4.26Å; Y311-Q315 HydrophobicContact CE1-CB 4.46Å; Y311-Q315 HydrophobicContact CE2-CB 3.59Å; Y311-Q315 HydrophobicContact CE2-CG 4.44Å; Y311-L316 HydrophobicContact CD1-CB 4.46Å; Y311-L316 HydrophobicContact CE1-CB 3.79Å; Y311-L316 HydrophobicContact CE1-CD1 4.47Å
312S97.8Very high98.2Very high46 Ų4657 Ų5732%0.32229%0.29SS..  trans-83.8148.6-17275.90000112.2E314 Q315 L316S312-E314 PolarHBondContact O-N 3.45Å; S312-Q315 PolarHBondContact O-N 2.93Å; S312-Q315 VanDerWaalsContact O-N 3.17Å; S312-Q315 WeakPolarHBondContact OG-CG 3.3Å; S312-Q315 PolarHBondContact OG-N 2.71Å; S312-Q315 VanDerWaalsContact OG-N 3.12Å; S312-Q315 PolarHBondContact OG-OE1 2.75Å; S312-L316 PolarHBondContact O-N 3.1Å
313E97.5Very high98.2Very high112 Ų11257 Ų5752%0.52329%0.291SS..Hα-helixtrans-59.9-26.7170.3-73.8-170.7-130.100112.4L14 I306 N317L14-E313 HydrophobicContact CD1-CG 4.43Å; I306-E313 HydrophobicContact CG2-CG 4.07Å; E313-N317 VanDerWaalsContact O-CB 3.31Å; E313-N317 WeakPolarHBondContact O-CB 3.39Å; E313-N317 PolarHBondContact O-N 2.9Å; E313-N317 PolarHBondContact O-ND2 3.22Å
314E98Very high98.2Very high135 Ų13555.3 Ų55.363%0.63128%0.282SS*.Hα-helixtrans-64.9-47.5174.4-174-177.8172.500111.4S312 N317 Q318S312-E314 PolarHBondContact O-N 3.45Å; E314-N317 PolarHBondContact O-N 2.89Å; E314-Q318 WeakPolarHBondContact O-CG 3.24Å; E314-Q318 PolarHBondContact O-N 3.41Å
315Q97.5Very high98.2Very high81 Ų8153 Ų5338%0.37927%0.273SS..Hα-helixtrans-63.3-43.8176.2-70.9175.3-75.400111.1Y311 S312 N317 Q318 S319Y311-Q315 HydrophobicContact CD2-CB 4.26Å; Y311-Q315 HydrophobicContact CE1-CB 4.46Å; Y311-Q315 HydrophobicContact CE2-CB 3.59Å; Y311-Q315 HydrophobicContact CE2-CG 4.44Å; S312-Q315 PolarHBondContact O-N 2.93Å; S312-Q315 VanDerWaalsContact O-N 3.17Å; S312-Q315 WeakPolarHBondContact OG-CG 3.3Å; S312-Q315 PolarHBondContact OG-N 2.71Å; S312-Q315 VanDerWaalsContact OG-N 3.12Å; S312-Q315 PolarHBondContact OG-OE1 2.75Å; Q315-N317 PolarHBondContact O-N 2.91Å; Q315-Q318 PolarHBondContact O-N 2.86Å; Q315-S319 PolarHBondContact O-N 3.17Å; Q315-S319 VanDerWaalsContact O-N 3.17Å
316L98.6Very high98.2Very high0 Ų053.1 Ų53.10%027%0.273CS..Hα-helixtrans-54.5-51.3174.117460.3000111.5L14 K17 V18 L21 I306 Y311 S312 Q318 S319 V320L14-L316 HydrophobicContact CD1-CD2 3.44Å; L14-L316 VanDerWaalsContact CD1-CD2 3.44Å; K17-L316 HydrophobicContact CB-CD1 4.13Å; K17-L316 HydrophobicContact CB-CD2 3.87Å; K17-L316 HydrophobicContact CB-CG 4.1Å; K17-L316 HydrophobicContact CD-CD2 4.33Å; V18-L316 HydrophobicContact CG2-CD1 4.25Å; V18-L316 HydrophobicContact CG2-CD2 4.14Å; L21-L316 HydrophobicContact CD1-CD1 3.58Å; L21-L316 HydrophobicContact CD2-CD1 4.24Å; L21-L316 HydrophobicContact CG-CD1 4.07Å; I306-L316 HydrophobicContact CD1-CD2 4.02Å; Y311-L316 HydrophobicContact CD1-CB 4.46Å; Y311-L316 HydrophobicContact CE1-CB 3.79Å; Y311-L316 HydrophobicContact CE1-CD1 4.47Å; S312-L316 PolarHBondContact O-N 3.1Å; L316-Q318 VanDerWaalsContact C-N 3.3Å; L316-Q318 PolarHBondContact O-N 3.02Å; L316-S319 PolarHBondContact O-N 2.91Å; L316-V320 HydrophobicContact CD1-CG2 3.98Å; L316-V320 HydrophobicContact CG-CG2 4.39Å; L316-V320 WeakPolarHBondContact O-CG2 3.29Å; L316-V320 PolarHBondContact O-N 3.12Å
317N98.6Very high98.2Very high44 Ų4452.4 Ų52.424%0.23527%0.269CS..Hα-helixtrans-63.4-35.5-178.1-71.7-30.4000112M9 K17 E313 E314 Q315 V320 E321M9-N317 HydrophobicContact SD-CB 4.13Å; K17-N317 WeakPolarHBondContact CD-OD1 3.45Å; K17-N317 WeakPolarHBondContact CE-OD1 3.4Å; K17-N317 PolarHBondContact NZ-OD1 3.13Å; E313-N317 VanDerWaalsContact O-CB 3.31Å; E313-N317 WeakPolarHBondContact O-CB 3.39Å; E313-N317 PolarHBondContact O-N 2.9Å; E313-N317 PolarHBondContact O-ND2 3.22Å; E314-N317 PolarHBondContact O-N 2.89Å; Q315-N317 PolarHBondContact O-N 2.91Å; N317-V320 PolarHBondContact O-N 2.74Å; N317-E321 VanDerWaalsContact O-CB 3.28Å; N317-E321 WeakPolarHBondContact O-CB 3.38Å; N317-E321 PolarHBondContact O-N 3.19Å
318Q98.3Very high98.2Very high77 Ų7746.4 Ų46.436%0.3625%0.245SC..Hα-helixtrans-63.3-42.8175.3-70.7173.712.500112E314 Q315 L316 E321 R322E314-Q318 WeakPolarHBondContact O-CG 3.24Å; E314-Q318 PolarHBondContact O-N 3.41Å; Q315-Q318 PolarHBondContact O-N 2.86Å; L316-Q318 VanDerWaalsContact C-N 3.3Å; L316-Q318 PolarHBondContact O-N 3.02Å; Q318-E321 PolarHBondContact O-N 2.93Å; Q318-R322 WeakPolarHBondContact O-CG 3.38Å; Q318-R322 PolarHBondContact O-N 3.28Å
319S98.7Very high98.1Very high6 Ų646.7 Ų46.74%0.04224%0.244CC..Hα-helixtrans-67.9-43.5176.8-66.20000111.8D288 Q315 L316 E321 R322 L323D288-S319 WeakPolarHBondContact OD1-CA 3.29Å; D288-S319 WeakPolarHBondContact OD1-CB 3.29Å; D288-S319 PolarHBondContact OD1-OG 2.84Å; Q315-S319 PolarHBondContact O-N 3.17Å; Q315-S319 VanDerWaalsContact O-N 3.17Å; L316-S319 PolarHBondContact O-N 2.91Å; S319-E321 VanDerWaalsContact C-N 3.34Å; S319-E321 PolarHBondContact O-N 3.28Å; S319-R322 PolarHBondContact O-N 2.87Å; S319-L323 WeakPolarHBondContact O-CG 3.38Å; S319-L323 PolarHBondContact O-N 3.39Å
320V98.8Very high98.1Very high0 Ų044.7 Ų44.70%022%0.217CC..Hα-helixtrans-61.2-41.2174.5175.20000111.5M9 M12 K17 L21 L316 N317 R322 L323 L324M9-V320 HydrophobicContact CG-CG1 3.95Å; M9-V320 HydrophobicContact SD-CB 4.32Å; M9-V320 HydrophobicContact SD-CG1 4.11Å; M12-V320 HydrophobicContact CE-CG1 4.42Å; M12-V320 HydrophobicContact SD-CG1 4.2Å; K17-V320 HydrophobicContact CB-CG2 3.93Å; K17-V320 HydrophobicContact CG-CG1 4.49Å; K17-V320 HydrophobicContact CG-CG2 4.2Å; L21-V320 HydrophobicContact CD2-CG2 3.85Å; L316-V320 HydrophobicContact CD1-CG2 3.98Å; L316-V320 HydrophobicContact CG-CG2 4.39Å; L316-V320 WeakPolarHBondContact O-CG2 3.29Å; L316-V320 PolarHBondContact O-N 3.12Å; N317-V320 PolarHBondContact O-N 2.74Å; V320-R322 VanDerWaalsContact C-N 3.34Å; V320-R322 PolarHBondContact O-N 3.36Å; V320-L323 PolarHBondContact O-N 3.27Å; V320-L324 HydrophobicContact CG1-CD1 3.64Å; V320-L324 HydrophobicContact CG1-CG 3.97Å; V320-L324 WeakPolarHBondContact O-CB 3.25Å; V320-L324 VanDerWaalsContact O-CG 3.28Å; V320-L324 WeakPolarHBondContact O-CG 3.42Å; V320-L324 PolarHBondContact O-N 3.44Å
321E98.5Very high98Very high71 Ų7141.6 Ų41.633%0.33221%0.213SC..Hα-helixtrans-59.7-43.3176.9-175.3-178.8-176.200111.4V5 M9 N317 Q318 S319 T325V5-E321 HydrophobicContact CG1-CG 3.95Å; M9-E321 HydrophobicContact SD-CB 4.34Å; N317-E321 VanDerWaalsContact O-CB 3.28Å; N317-E321 WeakPolarHBondContact O-CB 3.38Å; N317-E321 PolarHBondContact O-N 3.19Å; Q318-E321 PolarHBondContact O-N 2.93Å; S319-E321 VanDerWaalsContact C-N 3.34Å; S319-E321 PolarHBondContact O-N 3.28Å; E321-T325 VanDerWaalsContact O-CB 3.23Å; E321-T325 WeakPolarHBondContact O-CB 3.49Å; E321-T325 PolarHBondContact O-N 3.39Å; E321-T325 PolarHBondContact O-OG1 3.09Å
322R98.7Very high97.9Very high69 Ų6943.1 Ų43.126%0.2622%0.221SC..Hα-helixtrans-63.3-45.8176.4-69.1-178.6-169.698.512.9111.9G257 V258 D288 Q318 S319 V320 T325 W326G257-R322 WeakPolarHBondContact O-CD 3.45Å; V258-R322 HydrophobicContact CG2-CB 4.04Å; D288-R322 IonicContact OD1-CZ 3.48Å; D288-R322 IonicContact OD1-NH1 3.7Å; D288-R322 PolarHBondContact OD1-NH1 3.25Å; Q318-R322 WeakPolarHBondContact O-CG 3.38Å; Q318-R322 PolarHBondContact O-N 3.28Å; S319-R322 PolarHBondContact O-N 2.87Å; V320-R322 VanDerWaalsContact C-N 3.34Å; V320-R322 PolarHBondContact O-N 3.36Å; R322-T325 PolarHBondContact O-N 3.41Å; R322-W326 WeakPolarHBondContact O-CB 3.33Å; R322-W326 PolarHBondContact O-N 2.93Å
323L98.8Very high97.9Very high2 Ų241.7 Ų41.71%0.0121%0.21CC..Hα-helixtrans-63.9-46179.1-67.6167.4000112.1Q20 L21 F74 V258 D288 M289 S319 V320 W326 K327Q20-L323 WeakPolarHBondContact O-CD1 3.33Å; L21-L323 HydrophobicContact CD2-CD1 3.65Å; F74-L323 HydrophobicContact CE2-CB 4.43Å; F74-L323 HydrophobicContact CE2-CD2 3.86Å; V258-L323 HydrophobicContact CG1-CD2 3.93Å; V258-L323 HydrophobicContact CG2-CD2 3.87Å; V258-L323 HydrophobicContact CG2-CG 4.42Å; D288-L323 WeakPolarHBondContact O-CD1 3.43Å; M289-L323 HydrophobicContact CB-CD2 4.06Å; M289-L323 HydrophobicContact CG-CD2 4.22Å; M289-L323 HydrophobicContact SD-CD2 3.46Å; M289-L323 WeakPolarHBondContact SD-CD2 3.49Å; S319-L323 WeakPolarHBondContact O-CG 3.38Å; S319-L323 PolarHBondContact O-N 3.39Å; V320-L323 PolarHBondContact O-N 3.27Å; L323-W326 PolarHBondContact O-N 2.74Å; L323-K327 WeakPolarHBondContact O-CG 3.29Å; L323-K327 PolarHBondContact O-N 2.84Å
324L98.7Very high97.4Very high2 Ų247 Ų471%0.0123%0.231CC..Hα-helixtrans-66.9-38.2177.9-69178.8000111.8V5 T8 M9 M12 T71 V320 W326 K327 V328 I333V5-L324 HydrophobicContact CG1-CB 3.93Å; V5-L324 HydrophobicContact CG1-CD1 4.49Å; V5-L324 HydrophobicContact CG2-CB 4.39Å; T8-L324 HydrophobicContact CG2-CD1 4.15Å; T8-L324 HydrophobicContact CG2-CD2 3.94Å; M9-L324 HydrophobicContact CB-CD1 3.71Å; M9-L324 HydrophobicContact CG-CD1 4.38Å; M12-L324 HydrophobicContact SD-CD1 4.16Å; T71-L324 HydrophobicContact CG2-CD2 4.18Å; V320-L324 HydrophobicContact CG1-CD1 3.64Å; V320-L324 HydrophobicContact CG1-CG 3.97Å; V320-L324 WeakPolarHBondContact O-CB 3.25Å; V320-L324 VanDerWaalsContact O-CG 3.28Å; V320-L324 WeakPolarHBondContact O-CG 3.42Å; V320-L324 PolarHBondContact O-N 3.44Å; L324-W326 VanDerWaalsContact C-N 3.32Å; L324-W326 PolarHBondContact O-N 3.47Å; L324-K327 PolarHBondContact O-N 3.09Å; L324-V328 WeakPolarHBondContact O-CG2 3.36Å; L324-V328 PolarHBondContact O-N 3.1Å; L324-I333 HydrophobicContact CD2-CD1 3.63Å
325T98.4Very high97.4Very high32 Ų3242.7 Ų42.720%0.19621%0.211CC..Hα-helixtrans-57.9-48.6172.9-62.70000110.2M1 E321 R322 K327 V328 E329M1-T325 HydrophobicContact CE-CG2 3.84Å; M1-T325 HydrophobicContact SD-CG2 4.04Å; E321-T325 VanDerWaalsContact O-CB 3.23Å; E321-T325 WeakPolarHBondContact O-CB 3.49Å; E321-T325 PolarHBondContact O-N 3.39Å; E321-T325 PolarHBondContact O-OG1 3.09Å; R322-T325 PolarHBondContact O-N 3.41Å; T325-K327 PolarHBondContact O-N 2.9Å; T325-V328 PolarHBondContact O-N 3.07Å; T325-V328 VanDerWaalsContact O-N 3.11Å; T325-E329 WeakPolarHBondContact O-CG 3.4Å; T325-E329 PolarHBondContact O-N 2.9Å
326W98.3Very high97.3Very high5 Ų540.6 Ų40.62%0.01920%0.203CC..Hα-helixtrans-61.6-41.8177.8-172.423.8000112.3F74 L130 D221 S222 V258 M260 R322 L323 L324 V328 E329 L330F74-W326 HydrophobicContact CE1-CB 4.49Å; F74-W326 AromaticContact CE1-CD2 3.81Å; F74-W326 HydrophobicContact CE1-CD2 3.81Å; F74-W326 AromaticContact CE1-CE3 3.78Å; F74-W326 HydrophobicContact CE1-CE3 3.78Å; F74-W326 HydrophobicContact CE1-CG 4.09Å; F74-W326 HydrophobicContact CE1-CZ3 4.44Å; F74-W326 HydrophobicContact CE2-CE3 4.04Å; F74-W326 HydrophobicContact CZ-CB 4.09Å; F74-W326 AromaticContact CZ-CD2 3.78Å; F74-W326 HydrophobicContact CZ-CD2 3.78Å; F74-W326 AromaticContact CZ-CE3 3.42Å; F74-W326 HydrophobicContact CZ-CE3 3.42Å; F74-W326 VanDerWaalsContact CZ-CE3 3.42Å; F74-W326 HydrophobicContact CZ-CG 4.05Å; F74-W326 HydrophobicContact CZ-CZ3 4.22Å; L130-W326 HydrophobicContact CD1-CH2 3.74Å; L130-W326 HydrophobicContact CD1-CZ2 4.3Å; L130-W326 HydrophobicContact CD1-CZ3 4.02Å; L130-W326 HydrophobicContact CD2-CD2 4.49Å; L130-W326 HydrophobicContact CD2-CH2 3.68Å; L130-W326 HydrophobicContact CD2-CZ2 3.35Å; L130-W326 HydrophobicContact CD2-CZ3 4.35Å; L130-W326 HydrophobicContact CG-CH2 4.33Å; L130-W326 HydrophobicContact CG-CZ2 4.42Å; D221-W326 HydrophobicContact CB-CD2 4.25Å; D221-W326 HydrophobicContact CB-CZ2 3.51Å; S222-W326 WeakPolarHBondContact OG-CH2 3.4Å; V258-W326 HydrophobicContact CB-CE3 4.01Å; V258-W326 HydrophobicContact CB-CZ3 4.07Å; V258-W326 HydrophobicContact CG1-CE3 4.3Å; V258-W326 HydrophobicContact CG1-CZ3 4.04Å; V258-W326 HydrophobicContact CG2-CD2 4.49Å; V258-W326 HydrophobicContact CG2-CE3 3.74Å; V258-W326 HydrophobicContact CG2-CZ3 4.31Å; M260-W326 HydrophobicContact CE-CH2 4.03Å; M260-W326 HydrophobicContact CE-CZ3 3.79Å; R322-W326 WeakPolarHBondContact O-CB 3.33Å; R322-W326 PolarHBondContact O-N 2.93Å; L323-W326 PolarHBondContact O-N 2.74Å; L324-W326 VanDerWaalsContact C-N 3.32Å; L324-W326 PolarHBondContact O-N 3.47Å; W326-V328 VanDerWaalsContact C-N 3.31Å; W326-V328 PolarHBondContact O-N 3.41Å; W326-E329 PolarHBondContact O-N 2.91Å; W326-L330 HydrophobicContact CG-CD1 4.46Å; W326-L330 WeakPolarHBondContact O-CG 3.34Å; W326-L330 PolarHBondContact O-N 3Å
327K98.3Very high97.3Very high0 Ų042.9 Ų42.90%021%0.214CC..Hα-helixtrans-60.1-38.2173.6-71.2-178.6179.6-164.60112.8G41 P72 F74 L323 L324 T325 G331 L332 I333G41-K327 PolarHBondContact O-NZ 2.83Å; P72-K327 WeakPolarHBondContact O-CD 3.48Å; P72-K327 VanDerWaalsContact O-CE 3.3Å; P72-K327 WeakPolarHBondContact O-CE 3.32Å; P72-K327 PolarHBondContact O-NZ 3.26Å; F74-K327 HydrophobicContact CD1-CG 4.19Å; F74-K327 VanDerWaalsContact CD2-CE 3.43Å; F74-K327 HydrophobicContact CE1-CG 3.49Å; F74-K327 VanDerWaalsContact CE1-CG 3.49Å; F74-K327 HydrophobicContact CE2-CD 4.21Å; F74-K327 HydrophobicContact CE2-CG 3.9Å; F74-K327 HydrophobicContact CZ-CB 4.48Å; F74-K327 HydrophobicContact CZ-CD 4.15Å; F74-K327 HydrophobicContact CZ-CG 3.33Å; L323-K327 WeakPolarHBondContact O-CG 3.29Å; L323-K327 PolarHBondContact O-N 2.84Å; L324-K327 PolarHBondContact O-N 3.09Å; T325-K327 PolarHBondContact O-N 2.9Å; K327-G331 PolarHBondContact O-N 3.01Å; K327-L332 HydrophobicContact CB-CB 4.17Å; K327-L332 HydrophobicContact CB-CD1 4.45Å; K327-L332 HydrophobicContact CG-CD1 4.15Å; K327-L332 WeakPolarHBondContact O-CB 3.3Å; K327-L332 PolarHBondContact O-N 3.2Å; K327-I333 HydrophobicContact CB-CD1 3.66Å; K327-I333 HydrophobicContact CB-CG1 3.96Å; K327-I333 HydrophobicContact CD-CD1 3.95Å; K327-I333 HydrophobicContact CG-CD1 4.41Å; K327-I333 PolarHBondContact O-N 3.43Å
328V97.9Very high97.2Very high25 Ų2542.8 Ų42.815%0.15221%0.213CC..Hα-helixtrans-68.5-41.3175.4174.10000111M1 T4 V5 L324 T325 W326 L330 G331 I333M1-V328 HydrophobicContact CB-CG1 4.35Å; M1-V328 HydrophobicContact CG-CB 4.3Å; M1-V328 HydrophobicContact CG-CG1 3.79Å; M1-V328 HydrophobicContact SD-CG1 4.39Å; T4-V328 HydrophobicContact CG2-CG2 4.05Å; V5-V328 HydrophobicContact CG2-CG2 3.99Å; L324-V328 WeakPolarHBondContact O-CG2 3.36Å; L324-V328 PolarHBondContact O-N 3.1Å; T325-V328 PolarHBondContact O-N 3.07Å; T325-V328 VanDerWaalsContact O-N 3.11Å; W326-V328 VanDerWaalsContact C-N 3.31Å; W326-V328 PolarHBondContact O-N 3.41Å; V328-L330 VanDerWaalsContact C-N 3.32Å; V328-L330 PolarHBondContact O-N 3.13Å; V328-G331 WeakPolarHBondContact O-CA 3.36Å; V328-G331 PolarHBondContact O-N 3Å; V328-I333 HydrophobicContact CG2-CB 3.83Å; V328-I333 HydrophobicContact CG2-CG2 3.99Å
329E96.2Very high97.1Very high102 Ų10240.7 Ų40.748%0.47720%0.203SC..Hα-helixtrans-62.7-38177.5-71.2177.4147.600112.3M1 T325 W326 G331M1-E329 HydrophobicContact SD-CG 3.75Å; T325-E329 WeakPolarHBondContact O-CG 3.4Å; T325-E329 PolarHBondContact O-N 2.9Å; W326-E329 PolarHBondContact O-N 2.91Å; E329-G331 PolarHBondContact O-N 3.2Å
330L96.6Very high97Very high23 Ų2343 Ų4312%0.1221%0.214CC..THydrogen-bonded Turntrans-76.3-5.5172.5-62.5178.4000113.6F74 Q129 L130 K173 W326 V328 L332F74-L330 HydrophobicContact CD1-CD1 4.18Å; F74-L330 HydrophobicContact CE1-CD1 3.87Å; Q129-L330 HydrophobicContact CB-CD1 4.12Å; L130-L330 HydrophobicContact CD2-CD1 3.46Å; L130-L330 VanDerWaalsContact CD2-CD1 3.46Å; K173-L330 WeakPolarHBondContact O-CD2 3.49Å; W326-L330 HydrophobicContact CG-CD1 4.46Å; W326-L330 WeakPolarHBondContact O-CG 3.34Å; W326-L330 PolarHBondContact O-N 3Å; V328-L330 VanDerWaalsContact C-N 3.32Å; V328-L330 PolarHBondContact O-N 3.13Å; L330-L332 VanDerWaalsContact C-N 3.3Å; L330-L332 HydrophobicContact CB-CG 4.43Å; L330-L332 PolarHBondContact O-N 3.24Å
331G95.8Very high96.9Very high38 Ų3846.1 Ų46.139%0.39223%0.229SC..THydrogen-bonded Turntrans74.116.3179.500000115K327 V328 E329K327-G331 PolarHBondContact O-N 3.01Å; V328-G331 WeakPolarHBondContact O-CA 3.36Å; V328-G331 PolarHBondContact O-N 3Å; E329-G331 PolarHBondContact O-N 3.2Å
332L96.7Very high96.8Very high35 Ų3544.2 Ų44.218%0.18322%0.222CC..SBendtrans-70.3-39.4173.6-72.9173000111.3P72 F74 Q129 K327 L330P72-L332 HydrophobicContact CB-CB 3.96Å; P72-L332 HydrophobicContact CB-CD2 4.44Å; P72-L332 WeakPolarHBondContact CG-O 3.42Å; F74-L332 HydrophobicContact CD1-CD1 4.03Å; F74-L332 HydrophobicContact CE1-CD1 4.36Å; Q129-L332 HydrophobicContact CG-CD1 4.19Å; Q129-L332 HydrophobicContact CG-CD2 3.86Å; Q129-L332 HydrophobicContact CG-CG 4.18Å; K327-L332 HydrophobicContact CB-CB 4.17Å; K327-L332 HydrophobicContact CB-CD1 4.45Å; K327-L332 HydrophobicContact CG-CD1 4.15Å; K327-L332 WeakPolarHBondContact O-CB 3.3Å; K327-L332 PolarHBondContact O-N 3.2Å; L330-L332 VanDerWaalsContact C-N 3.3Å; L330-L332 HydrophobicContact CB-CG 4.43Å; L330-L332 PolarHBondContact O-N 3.24Å
333I96.1Very high96.6Very high16 Ų1642.1 Ų42.18%0.08222%0.218CC..  trans-111.8134.4176.8-59.4173.1000108.5T4 T8 T71 P72 L324 K327 V328T4-I333 HydrophobicContact CG2-CG2 3.8Å; T8-I333 HydrophobicContact CG2-CD1 4.37Å; T71-I333 HydrophobicContact CG2-CD1 4.13Å; P72-I333 HydrophobicContact CG-CG1 4.17Å; L324-I333 HydrophobicContact CD2-CD1 3.63Å; K327-I333 HydrophobicContact CB-CD1 3.66Å; K327-I333 HydrophobicContact CB-CG1 3.96Å; K327-I333 HydrophobicContact CD-CD1 3.95Å; K327-I333 HydrophobicContact CG-CD1 4.41Å; K327-I333 PolarHBondContact O-N 3.43Å; V328-I333 HydrophobicContact CG2-CB 3.83Å; V328-I333 HydrophobicContact CG2-CG2 3.99Å
334K87.7Confident96.4Very high225 Ų22545.7 Ų45.798%0.97824%0.237SC*.  trans-118.30-173.6-65.6179.6-177.11720112.1

Retrieved 334 of 334 residues in 72.8 ms (Link to these results)

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