A0A060VPU2_ONCMY Loading...

Radial spoke head protein 9 homolog

AlphaFold DB , UniProt , Accession A0A060VPU2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rsph9, Length 277 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
1M91.2Very high91.1Very high8 Ų839.7 Ų39.74%0.03921%0.206CC..  0145.40-61.9-167.5171.300111.4L6 S9 L10 V13 L45 F46 F251 Y261 I262M1-L6 HydrophobicContact CB-CD1 3.91Å; M1-L6 HydrophobicContact SD-CD1 4.19Å; M1-S9 VanDerWaalsContact SD-CB 3.51Å; M1-L10 HydrophobicContact SD-CD2 4.26Å; M1-V13 HydrophobicContact CE-CB 4.03Å; M1-V13 HydrophobicContact CE-CG1 3.42Å; M1-V13 VanDerWaalsContact CE-CG1 3.42Å; M1-V13 HydrophobicContact CE-CG2 3.41Å; M1-V13 VanDerWaalsContact CE-CG2 3.41Å; M1-L45 CarbonylContact O-C 3.51Å; M1-L45 WeakPolarHBondContact O-CA 3.44Å; M1-F46 PolarHBondContact N-O 3.08Å; M1-F46 PolarHBondContact O-N 2.85Å; M1-F251 HydrophobicContact CE-CD1 3.68Å; M1-F251 HydrophobicContact CE-CE1 3.51Å; M1-F251 HydrophobicContact CG-CE1 4.27Å; M1-F251 HydrophobicContact SD-CE1 4.06Å; M1-Y261 WeakPolarHBondContact CG-O 3.42Å; M1-Y261 PolarHBondContact N-O 3.16Å; M1-I262 HydrophobicContact CE-CB 3.85Å; M1-I262 HydrophobicContact CE-CG2 3.81Å; M1-I262 HydrophobicContact CG-CB 4.41Å; M1-I262 HydrophobicContact SD-CB 4.46Å
2D92.9Very high91.1Very high25 Ų2537.8 Ų37.813%0.13420%0.196CC..BIsolated β-bridgetrans-70.1136.1178.2-164.4-60.5000112.6S4 T5 L6 R43 L45D2-S4 PolarHBondContact O-N 2.84Å; D2-S4 WeakPolarHBondContact OD1-CB 3.45Å; D2-S4 PolarHBondContact OD1-N 2.97Å; D2-S4 PolarHBondContact OD1-OG 3.14Å; D2-T5 PolarHBondContact O-N 3.16Å; D2-T5 PolarHBondContact O-OG1 2.9Å; D2-L6 WeakPolarHBondContact O-CA 3.22Å; D2-L6 WeakPolarHBondContact O-CB 3.45Å; D2-L6 PolarHBondContact O-N 2.69Å; D2-R43 IonicContact OD2-CZ 2.81Å; D2-R43 IonicContact OD2-NE 2.68Å; D2-R43 PolarHBondContact OD2-NE 2.78Å; D2-R43 IonicContact OD2-NH2 3.21Å; D2-R43 PolarHBondContact OD2-NH2 3.13Å; D2-R43 VanDerWaalsContact OD2-NH2 3.09Å; D2-L45 HydrophobicContact CB-CD2 4.27Å
3S92.8Very high91Very high22 Ų2235.2 Ų35.215%0.15418%0.183CC..THydrogen-bonded Turntrans-55.4-35.2176.556.80000113.9T5 V44S3-T5 PolarHBondContact O-N 3.19Å; S3-V44 VanDerWaalsContact CB-O 3.3Å; S3-V44 WeakPolarHBondContact CB-O 3.45Å; S3-V44 PolarHBondContact N-O 2.94Å; S3-V44 PolarHBondContact OG-O 2.95Å; S3-V44 VanDerWaalsContact OG-O 3.05Å
4S90.9Very high90.5Very high81 Ų8136 Ų3657%0.56619%0.193SC*.THydrogen-bonded Turntrans-71.3-28.7-178.360.90000113.6D2D2-S4 PolarHBondContact O-N 2.84Å; D2-S4 WeakPolarHBondContact OD1-CB 3.45Å; D2-S4 PolarHBondContact OD1-N 2.97Å; D2-S4 PolarHBondContact OD1-OG 3.14Å
5T92.1Very high89.8Confident35 Ų3537.3 Ų37.322%0.21522%0.218CC..THydrogen-bonded Turntrans-110.43.1-177.360.80000113D2 S3 Y7 Y8 S9D2-T5 PolarHBondContact O-N 3.16Å; D2-T5 PolarHBondContact O-OG1 2.9Å; S3-T5 PolarHBondContact O-N 3.19Å; T5-Y7 VanDerWaalsContact C-N 3.25Å; T5-Y7 PolarHBondContact O-N 3.38Å; T5-Y8 WeakPolarHBondContact CB-OH 3.37Å; T5-Y8 HydrophobicContact CG2-CE1 3.71Å; T5-Y8 VanDerWaalsContact CG2-OH 3.32Å; T5-Y8 WeakPolarHBondContact CG2-OH 3.44Å; T5-Y8 VanDerWaalsContact O-CD1 3.28Å; T5-Y8 WeakPolarHBondContact O-CD1 3.39Å; T5-Y8 WeakPolarHBondContact O-CE1 3.45Å; T5-Y8 PolarHBondContact O-N 3.49Å; T5-S9 VanDerWaalsContact O-CB 3.3Å; T5-S9 WeakPolarHBondContact O-CB 3.25Å; T5-S9 PolarHBondContact O-N 3.44Å; T5-S9 PolarHBondContact O-OG 3.22Å; T5-S9 PolarHBondContact OG1-OG 3.41Å
6L91.4Very high88.9Confident2 Ų237.8 Ų37.81%0.0122%0.224CC..Hα-helixtrans-55.9-39.4-171.5-174.562.7000112.8M1 D2 Y8 S9 L10 L28 L32 F46M1-L6 HydrophobicContact CB-CD1 3.91Å; M1-L6 HydrophobicContact SD-CD1 4.19Å; D2-L6 WeakPolarHBondContact O-CA 3.22Å; D2-L6 WeakPolarHBondContact O-CB 3.45Å; D2-L6 PolarHBondContact O-N 2.69Å; L6-Y8 VanDerWaalsContact C-N 3.34Å; L6-Y8 PolarHBondContact O-N 3.43Å; L6-S9 PolarHBondContact O-N 2.89Å; L6-L10 HydrophobicContact CD1-CD1 4.08Å; L6-L10 HydrophobicContact CD1-CD2 4.12Å; L6-L10 HydrophobicContact CD1-CG 3.84Å; L6-L10 HydrophobicContact CG-CD1 3.95Å; L6-L10 HydrophobicContact CG-CG 4.18Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.25Å; L6-L10 PolarHBondContact O-N 3.24Å; L6-L28 HydrophobicContact CD2-CB 3.99Å; L6-L28 HydrophobicContact CD2-CD1 4.25Å; L6-L32 HydrophobicContact CD2-CD1 3.7Å; L6-F46 HydrophobicContact CD1-CB 3.82Å; L6-F46 HydrophobicContact CD1-CD1 3.99Å; L6-F46 HydrophobicContact CD1-CG 4.27Å; L6-F46 HydrophobicContact CD2-CB 3.99Å; L6-F46 HydrophobicContact CD2-CG 4.32Å
7Y86.7Confident88.3Confident137 Ų13739.2 Ų39.254%0.53725%0.249SC..Hα-helixtrans-59.5-40-172.370-89.4000113.8T5T5-Y7 VanDerWaalsContact C-N 3.25Å; T5-Y7 PolarHBondContact O-N 3.38Å
8Y89.6Confident87.8Confident51 Ų5141.5 Ų41.520%0.226%0.258CS..Hα-helixtrans-94.1-29.8176.174.6-96.6000111.9T5 L6 L10 D11 L12 Q258T5-Y8 WeakPolarHBondContact CB-OH 3.37Å; T5-Y8 HydrophobicContact CG2-CE1 3.71Å; T5-Y8 VanDerWaalsContact CG2-OH 3.32Å; T5-Y8 WeakPolarHBondContact CG2-OH 3.44Å; T5-Y8 VanDerWaalsContact O-CD1 3.28Å; T5-Y8 WeakPolarHBondContact O-CD1 3.39Å; T5-Y8 WeakPolarHBondContact O-CE1 3.45Å; T5-Y8 PolarHBondContact O-N 3.49Å; L6-Y8 VanDerWaalsContact C-N 3.34Å; L6-Y8 PolarHBondContact O-N 3.43Å; Y8-L10 VanDerWaalsContact C-N 3.26Å; Y8-L10 PolarHBondContact O-N 2.78Å; Y8-D11 WeakPolarHBondContact O-CB 3.34Å; Y8-D11 PolarHBondContact O-N 3.2Å; Y8-L12 HydrophobicContact CD2-CD1 4Å; Y8-L12 HydrophobicContact CE2-CD1 4.06Å; Y8-L12 PolarHBondContact O-N 2.87Å; Y8-Q258 VanDerWaalsContact CE2-OE1 3.22Å; Y8-Q258 PolarHBondContact OH-NE2 3.43Å; Y8-Q258 PolarHBondContact OH-OE1 3.45Å
9S92.4Very high87.8Confident1 Ų143.5 Ų43.51%0.00727%0.27CS..Hα-helixtrans-61.4-36.2-179.3-60.90000111.9M1 T5 L6 D11 L12 V13 F251M1-S9 VanDerWaalsContact SD-CB 3.51Å; T5-S9 VanDerWaalsContact O-CB 3.3Å; T5-S9 WeakPolarHBondContact O-CB 3.25Å; T5-S9 PolarHBondContact O-N 3.44Å; T5-S9 PolarHBondContact O-OG 3.22Å; T5-S9 PolarHBondContact OG1-OG 3.41Å; L6-S9 PolarHBondContact O-N 2.89Å; S9-D11 VanDerWaalsContact C-N 3.26Å; S9-D11 PolarHBondContact O-N 3.26Å; S9-L12 WeakPolarHBondContact O-CB 3.15Å; S9-L12 PolarHBondContact O-N 2.6Å; S9-V13 PolarHBondContact O-N 3.12Å; S9-F251 WeakPolarHBondContact OG-CZ 3.27Å
10L91.7Very high88Confident10 Ų1041.8 Ų41.85%0.05226%0.259CS..Hα-helixtrans-61.4-33.6174.6-73.8172.4000112.9M1 L6 Y8 L12 V13 S14 L20 K25 I262 M264M1-L10 HydrophobicContact SD-CD2 4.26Å; L6-L10 HydrophobicContact CD1-CD1 4.08Å; L6-L10 HydrophobicContact CD1-CD2 4.12Å; L6-L10 HydrophobicContact CD1-CG 3.84Å; L6-L10 HydrophobicContact CG-CD1 3.95Å; L6-L10 HydrophobicContact CG-CG 4.18Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.25Å; L6-L10 PolarHBondContact O-N 3.24Å; Y8-L10 VanDerWaalsContact C-N 3.26Å; Y8-L10 PolarHBondContact O-N 2.78Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L10-V13 VanDerWaalsContact O-CG2 3.3Å; L10-V13 WeakPolarHBondContact O-CG2 3.48Å; L10-V13 PolarHBondContact O-N 3.38Å; L10-S14 PolarHBondContact O-N 2.85Å; L10-L20 HydrophobicContact CD1-CD1 3.89Å; L10-L20 HydrophobicContact CD2-CD1 4.16Å; L10-K25 HydrophobicContact CD1-CD 4.37Å; L10-K25 HydrophobicContact CD1-CG 3.98Å; L10-I262 HydrophobicContact CD2-CD1 3.65Å; L10-M264 HydrophobicContact CD2-CE 4.41Å
11D90.3Very high88.2Confident65 Ų6542.2 Ų42.235%0.34826%0.264SS..Hα-helixtrans-71.8-36.3178.6-63.3-18.6000110Y8 S9 V13 S14 K25 R233Y8-D11 WeakPolarHBondContact O-CB 3.34Å; Y8-D11 PolarHBondContact O-N 3.2Å; S9-D11 VanDerWaalsContact C-N 3.26Å; S9-D11 PolarHBondContact O-N 3.26Å; D11-V13 PolarHBondContact O-N 3.42Å; D11-S14 WeakPolarHBondContact O-CB 3.42Å; D11-S14 PolarHBondContact O-N 3.15Å; D11-S14 VanDerWaalsContact O-N 3.15Å; D11-S14 PolarHBondContact O-OG 3.01Å; D11-K25 IonicContact OD1-NZ 2.69Å; D11-K25 PolarHBondContact OD1-NZ 3.38Å; D11-K25 VanDerWaalsContact OD1-NZ 3.13Å; D11-R233 PolarHBondContact O-NH2 2.88Å
12L91.3Very high88.3Confident16 Ų1646.8 Ų46.88%0.08430%0.296CS..Hα-helixtrans-60.6-26.8178.5-58.6174.1000113Y8 S9 L10 V237 F251 V253Y8-L12 HydrophobicContact CD2-CD1 4Å; Y8-L12 HydrophobicContact CE2-CD1 4.06Å; Y8-L12 PolarHBondContact O-N 2.87Å; S9-L12 WeakPolarHBondContact O-CB 3.15Å; S9-L12 PolarHBondContact O-N 2.6Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L12-V237 HydrophobicContact CD2-CG2 3.75Å; L12-F251 HydrophobicContact CB-CD2 4.29Å; L12-F251 HydrophobicContact CB-CG 4.25Å; L12-F251 HydrophobicContact CD1-CD2 3.58Å; L12-F251 HydrophobicContact CD1-CE2 3.44Å; L12-F251 VanDerWaalsContact CD1-CE2 3.44Å; L12-F251 HydrophobicContact CD1-CG 4.33Å; L12-F251 HydrophobicContact CD1-CZ 4.09Å; L12-V253 HydrophobicContact CD1-CG2 3.96Å
13V89.3Confident88.3Confident5 Ų553 Ų533%0.0333%0.325CS..THydrogen-bonded Turntrans-104.61179.4-62.40000114M1 S9 L10 D11 G15 S16 T249 F251 I262M1-V13 HydrophobicContact CE-CB 4.03Å; M1-V13 HydrophobicContact CE-CG1 3.42Å; M1-V13 VanDerWaalsContact CE-CG1 3.42Å; M1-V13 HydrophobicContact CE-CG2 3.41Å; M1-V13 VanDerWaalsContact CE-CG2 3.41Å; S9-V13 PolarHBondContact O-N 3.12Å; L10-V13 VanDerWaalsContact O-CG2 3.3Å; L10-V13 WeakPolarHBondContact O-CG2 3.48Å; L10-V13 PolarHBondContact O-N 3.38Å; D11-V13 PolarHBondContact O-N 3.42Å; V13-G15 PolarHBondContact O-N 3.35Å; V13-G15 VanDerWaalsContact O-N 3.13Å; V13-S16 PolarHBondContact O-N 2.67Å; V13-T249 HydrophobicContact CB-CG2 3.92Å; V13-T249 HydrophobicContact CG1-CG2 3.85Å; V13-F251 HydrophobicContact CG1-CB 4.08Å; V13-F251 HydrophobicContact CG1-CD1 3.65Å; V13-F251 HydrophobicContact CG1-CG 4.23Å; V13-I262 HydrophobicContact CB-CG2 4.27Å; V13-I262 HydrophobicContact CG1-CG2 4.49Å; V13-I262 HydrophobicContact CG2-CG2 3.84Å
14S84.7Confident88.4Confident46 Ų4654.2 Ų54.232%0.32233%0.328SS..G310 helixtrans-62.8-20.2-176.661.20000114.3L10 D11 S16 G17L10-S14 PolarHBondContact O-N 2.85Å; D11-S14 WeakPolarHBondContact O-CB 3.42Å; D11-S14 PolarHBondContact O-N 3.15Å; D11-S14 VanDerWaalsContact O-N 3.15Å; D11-S14 PolarHBondContact O-OG 3.01Å; S14-S16 PolarHBondContact O-N 2.83Å; S14-S16 VanDerWaalsContact O-N 3.1Å; S14-G17 PolarHBondContact O-N 2.68Å; S14-G17 VanDerWaalsContact O-N 3.07Å
15G79.4Confident88.5Confident55 Ų5553.1 Ų53.157%0.56731%0.313SS*.G310 helixtrans-60.1-18.5176.600000114.2V13 G17V13-G15 PolarHBondContact O-N 3.35Å; V13-G15 VanDerWaalsContact O-N 3.13Å; G15-G17 PolarHBondContact O-N 2.59Å
16S75.1Confident88.6Confident45 Ų4553.8 Ų53.832%0.31532%0.322SS..G310 helixtrans-76.7-1.2175.8-60.70000114V13 S14 L18 R241 T249V13-S16 PolarHBondContact O-N 2.67Å; S14-S16 PolarHBondContact O-N 2.83Å; S14-S16 VanDerWaalsContact O-N 3.1Å; S16-L18 PolarHBondContact O-N 3.1Å; S16-L18 VanDerWaalsContact O-N 3.16Å; S16-R241 PolarHBondContact OG-NE 3.01Å; S16-R241 VanDerWaalsContact OG-NE 3.13Å; S16-R241 PolarHBondContact OG-NH2 3.36Å; S16-T249 WeakPolarHBondContact CB-OG1 3.45Å; S16-T249 WeakPolarHBondContact OG-CG2 3.07Å; S16-T249 PolarHBondContact OG-OG1 2.79Å
17G79.3Confident88.8Confident63 Ų6354.7 Ų54.765%0.64933%0.33SS*.SBendtrans83.5-23.6172.800000115.3S14 G15S14-G17 PolarHBondContact O-N 2.68Å; S14-G17 VanDerWaalsContact O-N 3.07Å; G15-G17 PolarHBondContact O-N 2.59Å
18L80.1Confident89.2Confident80 Ų8048.2 Ų48.242%0.41930%0.304SS..  trans-90.6121.9171.6-66.3172.4000110.2S16 M264S16-L18 PolarHBondContact O-N 3.1Å; S16-L18 VanDerWaalsContact O-N 3.16Å; L18-M264 HydrophobicContact CB-CB 3.85Å; L18-M264 HydrophobicContact CB-CG 4.43Å; L18-M264 HydrophobicContact CB-SD 3.73Å; L18-M264 HydrophobicContact CD1-CB 3.77Å; L18-M264 WeakPolarHBondContact CD1-O 3.2Å; L18-M264 HydrophobicContact CG-CB 4.45Å
19T87.6Confident89.4Confident79 Ų7950.3 Ų50.349%0.48532%0.316SS..  trans-137.1169.1-178.661.20000111
20L91.4Very high89.5Confident9 Ų954.5 Ų54.55%0.04734%0.342CS..  trans-97.8146.3175-59.6-177.1000110.6L10 Q24 K25 L28 F46 K49 F58 M264L10-L20 HydrophobicContact CD1-CD1 3.89Å; L10-L20 HydrophobicContact CD2-CD1 4.16Å; L20-Q24 HydrophobicContact CB-CB 4.16Å; L20-K25 HydrophobicContact CB-CG 3.89Å; L20-K25 WeakPolarHBondContact O-CE 3.42Å; L20-L28 HydrophobicContact CD1-CD1 3.42Å; L20-L28 VanDerWaalsContact CD1-CD1 3.42Å; L20-F46 HydrophobicContact CD1-CE1 3.83Å; L20-F46 HydrophobicContact CD1-CZ 4.18Å; L20-K49 HydrophobicContact CD2-CD 4.5Å; L20-F58 HydrophobicContact CD2-CD1 4.42Å; L20-F58 HydrophobicContact CD2-CE1 3.82Å; L20-M264 HydrophobicContact CD2-CE 3.93Å; L20-M264 HydrophobicContact CG-CE 3.89Å
21S92.6Very high89.7Confident51 Ų5154.4 Ų54.436%0.35734%0.342SS..  trans-63.9159.5172.475.30000111.3E23 Q24 K25S21-E23 PolarHBondContact O-N 2.95Å; S21-Q24 PolarHBondContact O-N 3.2Å; S21-Q24 WeakPolarHBondContact OG-CB 3.43Å; S21-Q24 VanDerWaalsContact OG-CG 3.27Å; S21-Q24 WeakPolarHBondContact OG-CG 3.34Å; S21-Q24 PolarHBondContact OG-N 3.21Å; S21-Q24 VanDerWaalsContact OG-N 3.11Å; S21-K25 WeakPolarHBondContact O-CG 3.45Å; S21-K25 PolarHBondContact O-N 3.27Å
22S91.9Very high90Very high104 Ų10451.4 Ų51.473%0.72733%0.326SS*.Hα-helixtrans-57.8-39.2175.649.80000112.2K25 A26S22-K25 PolarHBondContact O-N 3.41Å; S22-A26 WeakPolarHBondContact O-CB 3.36Å; S22-A26 PolarHBondContact O-N 3.32Å
23E94.3Very high90.2Very high156 Ų15655 Ų5573%0.72935%0.348SS*.Hα-helixtrans-61.9-49.5174.8-177.6-179.6-168.600111.7S21 K25 A26 A27S21-E23 PolarHBondContact O-N 2.95Å; E23-K25 VanDerWaalsContact C-N 3.33Å; E23-K25 PolarHBondContact O-N 3.47Å; E23-A26 PolarHBondContact O-N 2.8Å; E23-A27 WeakPolarHBondContact O-CB 3.22Å; E23-A27 PolarHBondContact O-N 3.19Å
24Q94.7Very high90.5Very high47 Ų4758.9 Ų58.922%0.2237%0.368CS..Hα-helixtrans-60.8-42.7177.4-73.5163-5.400111.4L20 S21 A27 L28 F58L20-Q24 HydrophobicContact CB-CB 4.16Å; S21-Q24 PolarHBondContact O-N 3.2Å; S21-Q24 WeakPolarHBondContact OG-CB 3.43Å; S21-Q24 VanDerWaalsContact OG-CG 3.27Å; S21-Q24 WeakPolarHBondContact OG-CG 3.34Å; S21-Q24 PolarHBondContact OG-N 3.21Å; S21-Q24 VanDerWaalsContact OG-N 3.11Å; Q24-A27 PolarHBondContact O-N 3.44Å; Q24-L28 WeakPolarHBondContact O-CB 3.5Å; Q24-L28 VanDerWaalsContact O-CG 3.24Å; Q24-L28 WeakPolarHBondContact O-CG 3.41Å; Q24-L28 PolarHBondContact O-N 2.85Å; Q24-F58 HydrophobicContact CG-CE1 4.46Å; Q24-F58 HydrophobicContact CG-CZ 4.21Å
25K93.4Very high91Very high59 Ų5957.1 Ų57.126%0.25736%0.355SS..Hα-helixtrans-59.5-47176.3-71.4-176.2-178.8-169.60111.2L10 D11 L20 S21 S22 E23 L28 Q29L10-K25 HydrophobicContact CD1-CD 4.37Å; L10-K25 HydrophobicContact CD1-CG 3.98Å; D11-K25 IonicContact OD1-NZ 2.69Å; D11-K25 PolarHBondContact OD1-NZ 3.38Å; D11-K25 VanDerWaalsContact OD1-NZ 3.13Å; L20-K25 HydrophobicContact CB-CG 3.89Å; L20-K25 WeakPolarHBondContact O-CE 3.42Å; S21-K25 WeakPolarHBondContact O-CG 3.45Å; S21-K25 PolarHBondContact O-N 3.27Å; S22-K25 PolarHBondContact O-N 3.41Å; E23-K25 VanDerWaalsContact C-N 3.33Å; E23-K25 PolarHBondContact O-N 3.47Å; K25-L28 PolarHBondContact O-N 2.84Å; K25-Q29 WeakPolarHBondContact O-CG 3.25Å; K25-Q29 PolarHBondContact O-N 2.79Å; K25-Q29 VanDerWaalsContact O-N 3.14Å
26A93.4Very high91.7Very high49 Ų4958.4 Ų58.441%0.40535%0.345SS..Hα-helixtrans-66.3-41.6179.300000112.5S22 E23 Q29 T30S22-A26 WeakPolarHBondContact O-CB 3.36Å; S22-A26 PolarHBondContact O-N 3.32Å; E23-A26 PolarHBondContact O-N 2.8Å; A26-Q29 PolarHBondContact O-N 3.18Å; A26-T30 PolarHBondContact O-N 2.79Å; A26-T30 PolarHBondContact O-OG1 2.85Å
27A95.7Very high92.7Very high21 Ų2166.5 Ų66.517%0.17437%0.368CS..Hα-helixtrans-60.2-48.2175.800000111.4E23 Q24 Q29 T30 S31 C79 V80E23-A27 WeakPolarHBondContact O-CB 3.22Å; E23-A27 PolarHBondContact O-N 3.19Å; Q24-A27 PolarHBondContact O-N 3.44Å; A27-Q29 PolarHBondContact O-N 3.47Å; A27-T30 PolarHBondContact O-N 3.16Å; A27-S31 WeakPolarHBondContact O-CB 3.26Å; A27-S31 PolarHBondContact O-N 2.91Å; A27-S31 PolarHBondContact O-OG 3.18Å; A27-C79 HydrophobicContact CB-CB 3.81Å; A27-V80 HydrophobicContact CB-CG2 3.93Å
28L95.9Very high93.4Very high0 Ų069.1 Ų69.10%037%0.368CS..Hα-helixtrans-61.4-40.3178.9-72.4173.9000113.1L6 L20 Q24 K25 T30 L32 F46 C79 W82L6-L28 HydrophobicContact CD2-CB 3.99Å; L6-L28 HydrophobicContact CD2-CD1 4.25Å; L20-L28 HydrophobicContact CD1-CD1 3.42Å; L20-L28 VanDerWaalsContact CD1-CD1 3.42Å; Q24-L28 WeakPolarHBondContact O-CB 3.5Å; Q24-L28 VanDerWaalsContact O-CG 3.24Å; Q24-L28 WeakPolarHBondContact O-CG 3.41Å; Q24-L28 PolarHBondContact O-N 2.85Å; K25-L28 PolarHBondContact O-N 2.84Å; L28-T30 PolarHBondContact O-N 3.18Å; L28-L32 HydrophobicContact CB-CD1 4.26Å; L28-L32 HydrophobicContact CD2-CD1 4.38Å; L28-L32 HydrophobicContact CD2-CG 4.38Å; L28-L32 VanDerWaalsContact O-CB 3.29Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 WeakPolarHBondContact O-CG 3.38Å; L28-L32 PolarHBondContact O-N 3.42Å; L28-L32 VanDerWaalsContact O-N 3.08Å; L28-F46 HydrophobicContact CD1-CD1 4.35Å; L28-F46 HydrophobicContact CD1-CD2 4.09Å; L28-F46 HydrophobicContact CD1-CE1 4.08Å; L28-F46 HydrophobicContact CD1-CE2 3.83Å; L28-F46 HydrophobicContact CD1-CG 4.35Å; L28-F46 HydrophobicContact CD1-CZ 3.83Å; L28-F46 HydrophobicContact CD2-CD2 3.88Å; L28-F46 HydrophobicContact CD2-CE2 3.79Å; L28-C79 HydrophobicContact CD2-CB 3.7Å; L28-C79 HydrophobicContact CG-CB 3.82Å; L28-W82 HydrophobicContact CD2-CH2 4.02Å; L28-W82 HydrophobicContact CD2-CZ2 3.63Å
29Q92.8Very high94Very high95 Ų9568.8 Ų68.844%0.44437%0.366SS..Hα-helixtrans-57.3-37177.8-77.6174.7-31.800112.2K25 A26 A27 V33K25-Q29 WeakPolarHBondContact O-CG 3.25Å; K25-Q29 PolarHBondContact O-N 2.79Å; K25-Q29 VanDerWaalsContact O-N 3.14Å; A26-Q29 PolarHBondContact O-N 3.18Å; A27-Q29 PolarHBondContact O-N 3.47Å; Q29-V33 WeakPolarHBondContact O-CG2 3.35Å
30T94.2Very high94.3Very high90 Ų9073.8 Ų73.855%0.55238%0.381SS*.Hα-helixtrans-87.7-47.4-178.4-51.40000111.3A26 A27 L28 L32 V33 I34A26-T30 PolarHBondContact O-N 2.79Å; A26-T30 PolarHBondContact O-OG1 2.85Å; A27-T30 PolarHBondContact O-N 3.16Å; L28-T30 PolarHBondContact O-N 3.18Å; T30-L32 PolarHBondContact O-N 3.42Å; T30-V33 PolarHBondContact O-N 3.06Å; T30-I34 HydrophobicContact CG2-CD1 4.07Å; T30-I34 WeakPolarHBondContact O-CG1 3.34Å; T30-I34 PolarHBondContact O-N 3.09Å
31S96.7Very high94.5Very high7 Ų773.7 Ų73.75%0.04938%0.381CS..Hα-helixtrans-68.6-36.6-172.673.60000112.8A27 V33 I34 L35 C79 W82A27-S31 WeakPolarHBondContact O-CB 3.26Å; A27-S31 PolarHBondContact O-N 2.91Å; A27-S31 PolarHBondContact O-OG 3.18Å; S31-V33 VanDerWaalsContact C-N 3.3Å; S31-V33 PolarHBondContact O-N 2.92Å; S31-I34 PolarHBondContact O-N 3.1Å; S31-L35 VanDerWaalsContact O-CB 3.25Å; S31-L35 WeakPolarHBondContact O-CB 3.35Å; S31-L35 PolarHBondContact O-N 3.07Å; S31-C79 WeakPolarHBondContact CB-O 3.37Å; S31-C79 PolarHBondContact OG-O 3.33Å; S31-W82 PolarHBondContact OG-NE1 3.08Å; S31-W82 VanDerWaalsContact OG-NE1 3.12Å
32L96Very high94.5Very high2 Ų276.1 Ų76.11%0.0139%0.39CS..Hα-helixtrans-67.7-31.3178.5-64.4176.6000112.3L6 L28 T30 L35 K36 V44 F46 A60 W82L6-L32 HydrophobicContact CD2-CD1 3.7Å; L28-L32 HydrophobicContact CB-CD1 4.26Å; L28-L32 HydrophobicContact CD2-CD1 4.38Å; L28-L32 HydrophobicContact CD2-CG 4.38Å; L28-L32 VanDerWaalsContact O-CB 3.29Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 WeakPolarHBondContact O-CG 3.38Å; L28-L32 PolarHBondContact O-N 3.42Å; L28-L32 VanDerWaalsContact O-N 3.08Å; T30-L32 PolarHBondContact O-N 3.42Å; L32-L35 HydrophobicContact CD2-CD2 4.14Å; L32-K36 WeakPolarHBondContact O-CB 3.31Å; L32-K36 PolarHBondContact O-N 3.32Å; L32-V44 HydrophobicContact CB-CG1 4.11Å; L32-V44 HydrophobicContact CD2-CG1 3.82Å; L32-V44 HydrophobicContact CG-CG1 4.45Å; L32-F46 HydrophobicContact CD1-CB 4.05Å; L32-A60 HydrophobicContact CD2-CB 3.69Å; L32-W82 HydrophobicContact CD2-CH2 4.14Å; L32-W82 HydrophobicContact CD2-CZ2 3.55Å; L32-W82 HydrophobicContact CG-CZ2 4.43Å
33V95.4Very high94.6Very high92 Ų9273.3 Ų73.356%0.55836%0.363SS*.Hα-helixtrans-68.9-43.9174.3175.80000110.6Q29 T30 S31 L35 K36 R37Q29-V33 WeakPolarHBondContact O-CG2 3.35Å; T30-V33 PolarHBondContact O-N 3.06Å; S31-V33 VanDerWaalsContact C-N 3.3Å; S31-V33 PolarHBondContact O-N 2.92Å; V33-L35 VanDerWaalsContact C-N 3.34Å; V33-K36 PolarHBondContact O-N 2.99Å; V33-R37 PolarHBondContact O-N 3.32Å
34I95.7Very high94.8Very high87 Ų8765.9 Ų65.945%0.44633%0.328SS..Hα-helixtrans-61.7-45.6174.5-64.3167.8000110T30 S31 K36 R37 N38T30-I34 HydrophobicContact CG2-CD1 4.07Å; T30-I34 WeakPolarHBondContact O-CG1 3.34Å; T30-I34 PolarHBondContact O-N 3.09Å; S31-I34 PolarHBondContact O-N 3.1Å; I34-K36 VanDerWaalsContact C-N 3.35Å; I34-K36 PolarHBondContact O-N 2.77Å; I34-R37 PolarHBondContact O-N 3Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.11Å; I34-N38 WeakPolarHBondContact O-CB 3.45Å; I34-N38 PolarHBondContact O-N 3.11Å
35L95.3Very high94.8Very high9 Ų964.9 Ų64.95%0.04732%0.324CS..Hα-helixtrans-58.5-45.5179.4-178.569000111.7S31 L32 V33 R37 N39 V44 A60 L74 W82S31-L35 VanDerWaalsContact O-CB 3.25Å; S31-L35 WeakPolarHBondContact O-CB 3.35Å; S31-L35 PolarHBondContact O-N 3.07Å; L32-L35 HydrophobicContact CD2-CD2 4.14Å; V33-L35 VanDerWaalsContact C-N 3.34Å; L35-R37 VanDerWaalsContact C-N 3.34Å; L35-R37 PolarHBondContact O-N 3Å; L35-N39 VanDerWaalsContact CD1-ND2 3.31Å; L35-N39 WeakPolarHBondContact CD1-ND2 3.49Å; L35-N39 PolarHBondContact O-N 3.38Å; L35-N39 VanDerWaalsContact O-N 3.16Å; L35-N39 PolarHBondContact O-ND2 2.84Å; L35-V44 HydrophobicContact CD2-CG1 4.12Å; L35-A60 HydrophobicContact CD2-CB 4.04Å; L35-L74 HydrophobicContact CD1-CD1 4.42Å; L35-L74 HydrophobicContact CD1-CD2 3.68Å; L35-L74 HydrophobicContact CD2-CD1 4.33Å; L35-W82 HydrophobicContact CD1-CB 3.95Å; L35-W82 HydrophobicContact CD1-CG 4.14Å; L35-W82 HydrophobicContact CD2-CD2 4.19Å; L35-W82 HydrophobicContact CD2-CG 4.18Å
36K95.4Very high95Very high82 Ų8262 Ų6236%0.35731%0.312SS..Hα-helixtrans-56.6-47.6175.7-176.9170.5167.3164.60111.4L32 V33 I34 K40 F41 N42 V44L32-K36 WeakPolarHBondContact O-CB 3.31Å; L32-K36 PolarHBondContact O-N 3.32Å; V33-K36 PolarHBondContact O-N 2.99Å; I34-K36 VanDerWaalsContact C-N 3.35Å; I34-K36 PolarHBondContact O-N 2.77Å; K36-K40 WeakPolarHBondContact O-CA 3.45Å; K36-K40 PolarHBondContact O-N 2.91Å; K36-K40 VanDerWaalsContact O-N 3.1Å; K36-F41 WeakPolarHBondContact CE-O 3.44Å; K36-F41 VanDerWaalsContact CG-O 3.31Å; K36-F41 WeakPolarHBondContact CG-O 3.41Å; K36-F41 PolarHBondContact O-N 3.22Å; K36-F41 VanDerWaalsContact O-N 3.09Å; K36-N42 WeakPolarHBondContact CE-O 3.36Å; K36-N42 PolarHBondContact NZ-O 3.37Å; K36-V44 HydrophobicContact CB-CB 4.34Å; K36-V44 HydrophobicContact CB-CG2 3.51Å; K36-V44 HydrophobicContact CD-CG2 4.49Å; K36-V44 HydrophobicContact CG-CG2 3.97Å
37R95.1Very high95.1Very high214 Ų21459.8 Ų59.881%0.80829%0.293SS*.Hα-helixtrans-68.8-45.8-178.1-173.5175.5-178.8161.80.1112.5V33 I34 L35 N39 K40V33-R37 PolarHBondContact O-N 3.32Å; I34-R37 PolarHBondContact O-N 3Å; L35-R37 VanDerWaalsContact C-N 3.34Å; L35-R37 PolarHBondContact O-N 3Å; R37-N39 PolarHBondContact O-N 3.44Å; R37-K40 PolarHBondContact O-N 3.34Å
38N94.7Very high95.1Very high118 Ų11858.8 Ų58.863%0.63129%0.285SS*.Hα-helixtrans-66.1-39.8-175.2-73-3.6000112.3I34I34-N38 WeakPolarHBondContact CG2-ND2 3.11Å; I34-N38 WeakPolarHBondContact O-CB 3.45Å; I34-N38 PolarHBondContact O-N 3.11Å
39N92.4Very high95.1Very high74 Ų7460 Ų6040%0.39629%0.29SS..Hα-helixtrans-94.20.4-178.9-68.3-82.6000113.6L35 R37 F41L35-N39 VanDerWaalsContact CD1-ND2 3.31Å; L35-N39 WeakPolarHBondContact CD1-ND2 3.49Å; L35-N39 PolarHBondContact O-N 3.38Å; L35-N39 VanDerWaalsContact O-N 3.16Å; L35-N39 PolarHBondContact O-ND2 2.84Å; R37-N39 PolarHBondContact O-N 3.44Å; N39-F41 HydrophobicContact CB-CD1 4.45Å; N39-F41 HydrophobicContact CB-CD2 3.48Å; N39-F41 VanDerWaalsContact CB-CD2 3.48Å; N39-F41 HydrophobicContact CB-CE1 4.19Å; N39-F41 HydrophobicContact CB-CE2 3.15Å; N39-F41 HydrophobicContact CB-CG 4.13Å; N39-F41 HydrophobicContact CB-CZ 3.55Å; N39-F41 PolarHBondContact O-N 3.14Å
40K93.6Very high95.3Very high183 Ų18355.4 Ų55.480%0.79627%0.269SS*.THydrogen-bonded Turntrans5537.9-178.3-55178.8-178.9177.30113.3K36 R37K36-K40 WeakPolarHBondContact O-CA 3.45Å; K36-K40 PolarHBondContact O-N 2.91Å; K36-K40 VanDerWaalsContact O-N 3.1Å; R37-K40 PolarHBondContact O-N 3.34Å
41F94.9Very high95.3Very high8 Ų853.6 Ų53.64%0.03526%0.255CS..  trans-73.1141.5174.5-64.2-53.6000110.6K36 N39 R43 V44 K72 L74K36-F41 WeakPolarHBondContact CE-O 3.44Å; K36-F41 VanDerWaalsContact CG-O 3.31Å; K36-F41 WeakPolarHBondContact CG-O 3.41Å; K36-F41 PolarHBondContact O-N 3.22Å; K36-F41 VanDerWaalsContact O-N 3.09Å; N39-F41 HydrophobicContact CB-CD1 4.45Å; N39-F41 HydrophobicContact CB-CD2 3.48Å; N39-F41 VanDerWaalsContact CB-CD2 3.48Å; N39-F41 HydrophobicContact CB-CE1 4.19Å; N39-F41 HydrophobicContact CB-CE2 3.15Å; N39-F41 HydrophobicContact CB-CG 4.13Å; N39-F41 HydrophobicContact CB-CZ 3.55Å; N39-F41 PolarHBondContact O-N 3.14Å; F41-R43 VanDerWaalsContact C-N 3.3Å; F41-V44 HydrophobicContact CB-CG2 3.93Å; F41-V44 HydrophobicContact CD2-CG2 3.87Å; F41-V44 HydrophobicContact CG-CG2 4.31Å; F41-K72 HydrophobicContact CE1-CB 4.08Å; F41-K72 HydrophobicContact CE1-CD 3.96Å; F41-K72 HydrophobicContact CE1-CG 4.26Å; F41-K72 HydrophobicContact CZ-CB 3.92Å; F41-K72 HydrophobicContact CZ-CD 4.08Å; F41-K72 HydrophobicContact CZ-CG 4.46Å; F41-L74 HydrophobicContact CE2-CD1 4.18Å; F41-L74 HydrophobicContact CZ-CD1 4.37Å
42N94.1Very high95.2Very high102 Ų10254.1 Ų54.155%0.54526%0.262SS..SBendtrans-68.3-38.1171.2-74.4-18.1000110.1K36 V63 S64K36-N42 WeakPolarHBondContact CE-O 3.36Å; K36-N42 PolarHBondContact NZ-O 3.37Å; N42-V63 PolarHBondContact N-O 3.34Å; N42-S64 WeakPolarHBondContact CB-O 3.48Å; N42-S64 PolarHBondContact ND2-O 3.16Å
43R93.9Very high95.1Very high45 Ų4559.8 Ų59.817%0.1729%0.291CS..EExtended strand (participates in β ladder)trans-142.7145-177.7-156.8174.4173.8-144.9-3.6110.5D2 F41 L45 V63 E67D2-R43 IonicContact OD2-CZ 2.81Å; D2-R43 IonicContact OD2-NE 2.68Å; D2-R43 PolarHBondContact OD2-NE 2.78Å; D2-R43 IonicContact OD2-NH2 3.21Å; D2-R43 PolarHBondContact OD2-NH2 3.13Å; D2-R43 VanDerWaalsContact OD2-NH2 3.09Å; F41-R43 VanDerWaalsContact C-N 3.3Å; R43-L45 HydrophobicContact CG-CD2 4.38Å; R43-V63 HydrophobicContact CB-CB 4.16Å; R43-V63 PolarHBondContact N-O 2.94Å; R43-V63 PolarHBondContact O-N 3.48Å; R43-E67 IonicContact NH1-OE2 3.68Å; R43-E67 PolarHBondContact NH1-OE2 2.96Å
44V96.8Very high95Very high0 Ų063.2 Ų63.20%030%0.298CS..EExtended strand (participates in β ladder)trans-125.7129.4174.6172.60000107.9S3 L32 L35 K36 F41 Q61S3-V44 VanDerWaalsContact CB-O 3.3Å; S3-V44 WeakPolarHBondContact CB-O 3.45Å; S3-V44 PolarHBondContact N-O 2.94Å; S3-V44 PolarHBondContact OG-O 2.95Å; S3-V44 VanDerWaalsContact OG-O 3.05Å; L32-V44 HydrophobicContact CB-CG1 4.11Å; L32-V44 HydrophobicContact CD2-CG1 3.82Å; L32-V44 HydrophobicContact CG-CG1 4.45Å; L35-V44 HydrophobicContact CD2-CG1 4.12Å; K36-V44 HydrophobicContact CB-CB 4.34Å; K36-V44 HydrophobicContact CB-CG2 3.51Å; K36-V44 HydrophobicContact CD-CG2 4.49Å; K36-V44 HydrophobicContact CG-CG2 3.97Å; F41-V44 HydrophobicContact CB-CG2 3.93Å; F41-V44 HydrophobicContact CD2-CG2 3.87Å; F41-V44 HydrophobicContact CG-CG2 4.31Å; V44-Q61 WeakPolarHBondContact CA-O 3.27Å
45L95.8Very high94.8Very high25 Ų2560.2 Ų60.213%0.13129%0.288CS..EExtended strand (participates in β ladder)trans-113.5133.8-179.7-55.2174.6000108.6M1 D2 R43 W47 A60 Q61 V63M1-L45 CarbonylContact O-C 3.51Å; M1-L45 WeakPolarHBondContact O-CA 3.44Å; D2-L45 HydrophobicContact CB-CD2 4.27Å; R43-L45 HydrophobicContact CG-CD2 4.38Å; L45-W47 PolarHBondContact O-N 2.64Å; L45-A60 CarbonylContact O-C 3.5Å; L45-A60 VanDerWaalsContact O-CA 3.29Å; L45-A60 WeakPolarHBondContact O-CA 3.28Å; L45-Q61 HydrophobicContact CB-CB 4.44Å; L45-Q61 PolarHBondContact N-O 2.84Å; L45-Q61 PolarHBondContact O-N 3.08Å; L45-V63 HydrophobicContact CD1-CG2 4.06Å; L45-V63 HydrophobicContact CG-CG2 4.38Å
46F96.9Very high94.9Very high0 Ų061.9 Ų61.90%030%0.298CS..EExtended strand (participates in β ladder)trans-81.1114.2160.4-173.4-116.4000108.2M1 L6 L20 L28 L32 G48 F58 I59 W82 I262M1-F46 PolarHBondContact N-O 3.08Å; M1-F46 PolarHBondContact O-N 2.85Å; L6-F46 HydrophobicContact CD1-CB 3.82Å; L6-F46 HydrophobicContact CD1-CD1 3.99Å; L6-F46 HydrophobicContact CD1-CG 4.27Å; L6-F46 HydrophobicContact CD2-CB 3.99Å; L6-F46 HydrophobicContact CD2-CG 4.32Å; L20-F46 HydrophobicContact CD1-CE1 3.83Å; L20-F46 HydrophobicContact CD1-CZ 4.18Å; L28-F46 HydrophobicContact CD1-CD1 4.35Å; L28-F46 HydrophobicContact CD1-CD2 4.09Å; L28-F46 HydrophobicContact CD1-CE1 4.08Å; L28-F46 HydrophobicContact CD1-CE2 3.83Å; L28-F46 HydrophobicContact CD1-CG 4.35Å; L28-F46 HydrophobicContact CD1-CZ 3.83Å; L28-F46 HydrophobicContact CD2-CD2 3.88Å; L28-F46 HydrophobicContact CD2-CE2 3.79Å; L32-F46 HydrophobicContact CD1-CB 4.05Å; F46-G48 VanDerWaalsContact CZ-O 3.28Å; F46-G48 WeakPolarHBondContact CZ-O 3.38Å; F46-F58 HydrophobicContact CE2-CB 4.24Å; F46-F58 HydrophobicContact CE2-CD1 4.45Å; F46-F58 HydrophobicContact CZ-CD1 4.09Å; F46-I59 WeakPolarHBondContact CD2-O 3.36Å; F46-W82 HydrophobicContact CD2-CH2 4.43Å; F46-W82 HydrophobicContact CE2-CH2 4.39Å; F46-I262 HydrophobicContact CD1-CD1 3.8Å; F46-I262 HydrophobicContact CE1-CD1 3.65Å
47W96.5Very high95Very high1 Ų158 Ų580%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-80.2-40.9-177.1179.592000110.8L45 I50 I59 Q61 V145 I148 I262 Y263L45-W47 PolarHBondContact O-N 2.64Å; W47-I50 HydrophobicContact CH2-CD1 4.15Å; W47-I50 HydrophobicContact CH2-CG1 4.32Å; W47-I50 HydrophobicContact CZ3-CD1 4.03Å; W47-I50 HydrophobicContact CZ3-CG1 3.93Å; W47-I59 HydrophobicContact CB-CB 4.13Å; W47-I59 HydrophobicContact CB-CG2 3.91Å; W47-I59 HydrophobicContact CD2-CB 4.28Å; W47-I59 HydrophobicContact CD2-CG2 4.18Å; W47-I59 HydrophobicContact CE3-CB 3.7Å; W47-I59 HydrophobicContact CE3-CG1 3.94Å; W47-I59 HydrophobicContact CE3-CG2 4.07Å; W47-I59 HydrophobicContact CG-CG2 4.17Å; W47-I59 HydrophobicContact CZ3-CB 4.46Å; W47-I59 HydrophobicContact CZ3-CG1 4.2Å; W47-I59 PolarHBondContact N-O 2.78Å; W47-Q61 HydrophobicContact CB-CG 4.27Å; W47-V145 HydrophobicContact CD2-CG1 4.39Å; W47-V145 HydrophobicContact CH2-CG2 4.24Å; W47-V145 HydrophobicContact CZ2-CG1 4.23Å; W47-V145 HydrophobicContact CZ3-CG2 4.36Å; W47-I148 HydrophobicContact CH2-CB 4.27Å; W47-I148 HydrophobicContact CH2-CD1 3.95Å; W47-I148 HydrophobicContact CH2-CG2 3.97Å; W47-I148 HydrophobicContact CZ2-CB 3.74Å; W47-I148 HydrophobicContact CZ2-CD1 4.3Å; W47-I148 HydrophobicContact CZ2-CG2 3.43Å; W47-I148 VanDerWaalsContact CZ2-CG2 3.43Å; W47-I262 WeakPolarHBondContact O-CA 3.36Å; W47-Y263 AromaticContact CH2-CD1 3.41Å; W47-Y263 HydrophobicContact CH2-CD1 3.41Å; W47-Y263 VanDerWaalsContact CH2-CD1 3.41Å; W47-Y263 HydrophobicContact CH2-CE1 4.23Å; W47-Y263 AromaticContact CH2-CG 3.73Å; W47-Y263 HydrophobicContact CH2-CG 3.73Å; W47-Y263 HydrophobicContact CZ2-CD1 4.41Å; W47-Y263 HydrophobicContact CZ2-CG 4.34Å; W47-Y263 AromaticContact CZ3-CD1 3.54Å; W47-Y263 HydrophobicContact CZ3-CD1 3.54Å; W47-Y263 HydrophobicContact CZ3-CG 4.04Å; W47-Y263 PolarHBondContact O-N 3.13Å; W47-Y263 VanDerWaalsContact O-N 3.08Å
48G95.7Very high95.1Very high0 Ų048 Ų480%024%0.243CC..EExtended strand (participates in β ladder)trans146.6-148177.400000114.3F46 I59 Y263F46-G48 VanDerWaalsContact CZ-O 3.28Å; F46-G48 WeakPolarHBondContact CZ-O 3.38Å; G48-I59 PolarHBondContact N-O 2.83Å; G48-I59 PolarHBondContact O-N 2.81Å; G48-Y263 CarbonylContact C-O 3.49Å; G48-Y263 WeakPolarHBondContact CA-O 3.43Å
49K95.7Very high95.2Very high25 Ų2542.4 Ų42.411%0.10921%0.213CC..EExtended strand (participates in β ladder)trans-138.4130.3-171-174.2-174.2-179.8-170.30110.9L20 L51 D56 Y57 F58 Y263 M264 G265L20-K49 HydrophobicContact CD2-CD 4.5Å; K49-L51 HydrophobicContact CD-CD2 4.04Å; K49-L51 HydrophobicContact CG-CD2 4.38Å; K49-D56 HydrophobicContact CD-CB 4.32Å; K49-D56 WeakPolarHBondContact CE-OD2 3.19Å; K49-D56 HydrophobicContact CG-CB 4.19Å; K49-D56 IonicContact NZ-OD2 3.09Å; K49-D56 PolarHBondContact NZ-OD2 3.05Å; K49-Y57 CarbonylContact C-O 3.45Å; K49-Y57 VanDerWaalsContact CA-O 3.25Å; K49-Y57 WeakPolarHBondContact CA-O 3.29Å; K49-F58 HydrophobicContact CB-CD1 4.38Å; K49-F58 HydrophobicContact CB-CE1 4.49Å; K49-F58 HydrophobicContact CD-CD1 4.41Å; K49-F58 HydrophobicContact CD-CE1 3.74Å; K49-F58 HydrophobicContact CD-CZ 4.14Å; K49-F58 HydrophobicContact CG-CD1 4.16Å; K49-F58 HydrophobicContact CG-CE1 3.97Å; K49-F58 HydrophobicContact CG-CZ 4.48Å; K49-Y263 PolarHBondContact N-O 3.2Å; K49-M264 HydrophobicContact CB-CG 4.26Å; K49-M264 WeakPolarHBondContact O-CA 3.24Å; K49-G265 PolarHBondContact O-N 2.87Å
50I96.5Very high95.5Very high0 Ų038.9 Ų38.90%019%0.194CC..EExtended strand (participates in β ladder)trans-103.7125.4170.4-67.5170.9000108.6W47 D56 Y57 I59 F104 L141 V145 Y263 G265W47-I50 HydrophobicContact CH2-CD1 4.15Å; W47-I50 HydrophobicContact CH2-CG1 4.32Å; W47-I50 HydrophobicContact CZ3-CD1 4.03Å; W47-I50 HydrophobicContact CZ3-CG1 3.93Å; I50-D56 WeakPolarHBondContact O-CA 3.41Å; I50-Y57 PolarHBondContact N-O 3.31Å; I50-Y57 PolarHBondContact O-N 2.93Å; I50-I59 HydrophobicContact CD1-CG1 4.49Å; I50-F104 HydrophobicContact CG2-CD2 3.49Å; I50-F104 VanDerWaalsContact CG2-CD2 3.49Å; I50-F104 HydrophobicContact CG2-CE2 3.74Å; I50-F104 HydrophobicContact CG2-CG 3.97Å; I50-F104 HydrophobicContact CG2-CZ 4.4Å; I50-L141 HydrophobicContact CB-CD1 4.34Å; I50-L141 HydrophobicContact CD1-CD1 3.43Å; I50-L141 VanDerWaalsContact CD1-CD1 3.43Å; I50-L141 HydrophobicContact CG1-CD1 4.43Å; I50-L141 HydrophobicContact CG2-CD1 4.44Å; I50-V145 HydrophobicContact CD1-CG2 3.65Å; I50-Y263 HydrophobicContact CG1-CD1 4.41Å; I50-Y263 HydrophobicContact CG1-CE1 4.28Å; I50-G265 CarbonylContact C-O 3.51Å; I50-G265 VanDerWaalsContact CA-O 3.32Å; I50-G265 WeakPolarHBondContact CA-O 3.43Å
51L95.3Very high95.6Very high52 Ų5230.3 Ų30.327%0.27216%0.157SC..  trans-81.1125.5-177-58.9178.3000110.5K49 D56 G265K49-L51 HydrophobicContact CD-CD2 4.04Å; K49-L51 HydrophobicContact CG-CD2 4.38Å; L51-D56 WeakPolarHBondContact CA-OD1 3.33Å; L51-G265 PolarHBondContact N-O 2.81Å
52G94.1Very high95.7Very high18 Ų1830 Ų3019%0.18616%0.155CC..BIsolated β-bridgetrans-113.6172.1174.800000112.2G55 D56 F104G52-G55 VanDerWaalsContact CA-O 3.25Å; G52-G55 WeakPolarHBondContact CA-O 3.45Å; G52-D56 PolarHBondContact N-OD1 2.97Å; G52-D56 VanDerWaalsContact N-OD1 3.08Å; G52-F104 CarbonylContact C-O 3.39Å; G52-F104 VanDerWaalsContact CA-O 3.27Å; G52-F104 WeakPolarHBondContact CA-O 2.89Å
53I93.1Very high95.7Very high121 Ų12125.1 Ų25.162%0.62113%0.129SC*.SBendtrans-76.6-46.7179.8-64.6165.6000111R103 F104 V105I53-R103 HydrophobicContact CD1-CB 4.27Å; I53-R103 HydrophobicContact CG1-CB 4.22Å; I53-F104 WeakPolarHBondContact CG1-O 3.32Å; I53-F104 PolarHBondContact N-O 2.89Å; I53-V105 PolarHBondContact N-O 3.39Å
54K93.4Very high95.6Very high164 Ų16424.7 Ų24.771%0.71313%0.133SC*.SBendtrans-93.1-32.3-179.4-60.9-177.7-179.5175.20112.6V105K54-V105 VanDerWaalsContact CB-O 3.25Å; K54-V105 WeakPolarHBondContact CB-O 3.38Å; K54-V105 HydrophobicContact CD-CG1 3.89Å; K54-V105 HydrophobicContact CG-CG1 4.2Å; K54-V105 PolarHBondContact N-O 3.28Å
55G92.3Very high95.3Very high23 Ų2330.8 Ų30.824%0.23716%0.162CC..  trans-164.5152.7-175.100000111.1G52 G106G52-G55 VanDerWaalsContact CA-O 3.25Å; G52-G55 WeakPolarHBondContact CA-O 3.45Å; G55-G106 VanDerWaalsContact O-CA 3.27Å; G55-G106 WeakPolarHBondContact O-CA 3.27Å
56D96.1Very high95.1Very high45 Ų4530.2 Ų30.224%0.24116%0.159CC..PPolyproline II helixtrans-98.6149.2-177.2-57.8-44.2000111.4K49 I50 L51 G52 F77K49-D56 HydrophobicContact CD-CB 4.32Å; K49-D56 WeakPolarHBondContact CE-OD2 3.19Å; K49-D56 HydrophobicContact CG-CB 4.19Å; K49-D56 IonicContact NZ-OD2 3.09Å; K49-D56 PolarHBondContact NZ-OD2 3.05Å; I50-D56 WeakPolarHBondContact O-CA 3.41Å; L51-D56 WeakPolarHBondContact CA-OD1 3.33Å; G52-D56 PolarHBondContact N-OD1 2.97Å; G52-D56 VanDerWaalsContact N-OD1 3.08Å; D56-F77 WeakPolarHBondContact O-CD1 3.3Å
57Y97.3Very high94.8Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-100.7122.9175.3-63.3-84000110.6K49 I50 Y75 F77 F104 G106 D107 P108 E137 L141K49-Y57 CarbonylContact C-O 3.45Å; K49-Y57 VanDerWaalsContact CA-O 3.25Å; K49-Y57 WeakPolarHBondContact CA-O 3.29Å; I50-Y57 PolarHBondContact N-O 3.31Å; I50-Y57 PolarHBondContact O-N 2.93Å; Y57-Y75 AromaticContact CD1-CD2 3.98Å; Y57-Y75 HydrophobicContact CD1-CD2 3.98Å; Y57-Y75 HydrophobicContact CE1-CD2 4.28Å; Y57-F77 HydrophobicContact CD1-CD1 4.42Å; Y57-F77 AromaticContact CD1-CE1 3.64Å; Y57-F77 HydrophobicContact CD1-CE1 3.64Å; Y57-F77 AromaticContact CD1-CZ 3.77Å; Y57-F77 HydrophobicContact CD1-CZ 3.77Å; Y57-F77 AromaticContact CE1-CE1 3.4Å; Y57-F77 HydrophobicContact CE1-CE1 3.4Å; Y57-F77 VanDerWaalsContact CE1-CE1 3.4Å; Y57-F77 HydrophobicContact CE1-CE2 4.27Å; Y57-F77 AromaticContact CE1-CZ 3.23Å; Y57-F77 HydrophobicContact CE1-CZ 3.23Å; Y57-F77 HydrophobicContact CG-CE1 4.37Å; Y57-F77 AromaticContact CZ-CE1 3.94Å; Y57-F77 AromaticContact CZ-CZ 3.95Å; Y57-F104 HydrophobicContact CE2-CB 4.27Å; Y57-F104 HydrophobicContact CE2-CD1 4.17Å; Y57-G106 VanDerWaalsContact OH-C 3.31Å; Y57-D107 PolarHBondContact OH-N 2.86Å; Y57-P108 HydrophobicContact CE1-CG 4.21Å; Y57-E137 WeakPolarHBondContact CE2-OE1 3.36Å; Y57-E137 PolarHBondContact OH-OE1 2.93Å; Y57-L141 HydrophobicContact CD1-CD2 3.45Å; Y57-L141 VanDerWaalsContact CD1-CD2 3.45Å; Y57-L141 HydrophobicContact CD2-CD1 4.21Å; Y57-L141 HydrophobicContact CD2-CD2 4.3Å; Y57-L141 HydrophobicContact CE1-CD2 3.78Å; Y57-L141 HydrophobicContact CG-CD1 4.15Å; Y57-L141 HydrophobicContact CG-CD2 3.71Å
58F97.7Very high94.4Very high4 Ų432.3 Ų32.32%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-92.9130169.5-61.3-84.6000109.1L20 Q24 F46 K49 Y75 S76 F77 C79 W82L20-F58 HydrophobicContact CD2-CD1 4.42Å; L20-F58 HydrophobicContact CD2-CE1 3.82Å; Q24-F58 HydrophobicContact CG-CE1 4.46Å; Q24-F58 HydrophobicContact CG-CZ 4.21Å; F46-F58 HydrophobicContact CE2-CB 4.24Å; F46-F58 HydrophobicContact CE2-CD1 4.45Å; F46-F58 HydrophobicContact CZ-CD1 4.09Å; K49-F58 HydrophobicContact CB-CD1 4.38Å; K49-F58 HydrophobicContact CB-CE1 4.49Å; K49-F58 HydrophobicContact CD-CD1 4.41Å; K49-F58 HydrophobicContact CD-CE1 3.74Å; K49-F58 HydrophobicContact CD-CZ 4.14Å; K49-F58 HydrophobicContact CG-CD1 4.16Å; K49-F58 HydrophobicContact CG-CE1 3.97Å; K49-F58 HydrophobicContact CG-CZ 4.48Å; F58-Y75 CarbonylContact O-C 3.45Å; F58-Y75 VanDerWaalsContact O-CA 3.22Å; F58-Y75 WeakPolarHBondContact O-CA 3.33Å; F58-S76 WeakPolarHBondContact CD2-O 2.96Å; F58-S76 PolarHBondContact N-O 3.04Å; F58-S76 PolarHBondContact O-N 3.4Å; F58-F77 WeakPolarHBondContact CE2-O 3.09Å; F58-C79 WeakPolarHBondContact CD1-SG 3.36Å; F58-C79 WeakPolarHBondContact CG-SG 3.29Å; F58-W82 HydrophobicContact CB-CH2 4.39Å; F58-W82 WeakPolarHBondContact O-CZ3 3.25Å
59I97.9Very high93.9Very high0 Ų036.7 Ų36.70%020%0.196CC..EExtended strand (participates in β ladder)trans-116.3130.3-174.2-49.9-61.1000110.2F46 W47 G48 I50 L74 L85 L141 V145F46-I59 WeakPolarHBondContact CD2-O 3.36Å; W47-I59 HydrophobicContact CB-CB 4.13Å; W47-I59 HydrophobicContact CB-CG2 3.91Å; W47-I59 HydrophobicContact CD2-CB 4.28Å; W47-I59 HydrophobicContact CD2-CG2 4.18Å; W47-I59 HydrophobicContact CE3-CB 3.7Å; W47-I59 HydrophobicContact CE3-CG1 3.94Å; W47-I59 HydrophobicContact CE3-CG2 4.07Å; W47-I59 HydrophobicContact CG-CG2 4.17Å; W47-I59 HydrophobicContact CZ3-CB 4.46Å; W47-I59 HydrophobicContact CZ3-CG1 4.2Å; W47-I59 PolarHBondContact N-O 2.78Å; G48-I59 PolarHBondContact N-O 2.83Å; G48-I59 PolarHBondContact O-N 2.81Å; I50-I59 HydrophobicContact CD1-CG1 4.49Å; I59-L74 WeakPolarHBondContact CA-O 3.43Å; I59-L85 HydrophobicContact CD1-CD1 4.41Å; I59-L141 HydrophobicContact CD1-CD1 4.23Å; I59-L141 HydrophobicContact CD1-CD2 4.19Å; I59-L141 HydrophobicContact CD1-CG 4.35Å; I59-V145 HydrophobicContact CD1-CG2 4.19Å; I59-V145 HydrophobicContact CG1-CG2 4.03Å; I59-V145 HydrophobicContact CG2-CG1 4.06Å; I59-V145 HydrophobicContact CG2-CG2 4.21Å
60A97.5Very high93.6Very high0 Ų038.7 Ų38.70%021%0.208CC..EExtended strand (participates in β ladder)trans-121.2151.1169.600000110L32 L35 L45 S73 L74 W82L32-A60 HydrophobicContact CD2-CB 3.69Å; L35-A60 HydrophobicContact CD2-CB 4.04Å; L45-A60 CarbonylContact O-C 3.5Å; L45-A60 VanDerWaalsContact O-CA 3.29Å; L45-A60 WeakPolarHBondContact O-CA 3.28Å; A60-S73 CarbonylContact O-C 3.6Å; A60-S73 WeakPolarHBondContact O-CA 3.31Å; A60-L74 PolarHBondContact N-O 3.22Å; A60-L74 PolarHBondContact O-N 2.8Å; A60-W82 HydrophobicContact CB-CD2 4.45Å; A60-W82 HydrophobicContact CB-CE3 3.88Å; A60-W82 HydrophobicContact CB-CH2 3.45Å; A60-W82 VanDerWaalsContact CB-CH2 3.45Å; A60-W82 HydrophobicContact CB-CZ2 4.05Å; A60-W82 HydrophobicContact CB-CZ3 3.36Å
61Q96.5Very high93.3Very high4 Ų441.1 Ų41.12%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-123.3125.7175.6-72.6174.2-29.500109.3V44 L45 W47 K72 D149V44-Q61 WeakPolarHBondContact CA-O 3.27Å; L45-Q61 HydrophobicContact CB-CB 4.44Å; L45-Q61 PolarHBondContact N-O 2.84Å; L45-Q61 PolarHBondContact O-N 3.08Å; W47-Q61 HydrophobicContact CB-CG 4.27Å; Q61-K72 CarbonylContact C-O 3.56Å; Q61-K72 WeakPolarHBondContact CA-O 3.25Å; Q61-D149 PolarHBondContact NE2-OD1 2.8Å
62G96.1Very high93.3Very high0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-93.5132.7168.700000110.4K71 K72G62-K71 CarbonylContact O-C 3.58Å; G62-K71 WeakPolarHBondContact O-CA 3.3Å; G62-K72 PolarHBondContact N-O 2.78Å; G62-K72 PolarHBondContact O-N 3.49Å
63V94.8Very high93.4Very high0 Ų044.4 Ų44.40%023%0.229CC..EExtended strand (participates in β ladder)trans-114134.1179.7-174.60000108.9N42 R43 L45 E67 K71N42-V63 PolarHBondContact N-O 3.34Å; R43-V63 HydrophobicContact CB-CB 4.16Å; R43-V63 PolarHBondContact N-O 2.94Å; R43-V63 PolarHBondContact O-N 3.48Å; L45-V63 HydrophobicContact CD1-CG2 4.06Å; L45-V63 HydrophobicContact CG-CG2 4.38Å; V63-E67 HydrophobicContact CG1-CB 4.34Å; V63-E67 HydrophobicContact CG1-CG 4.3Å; V63-K71 HydrophobicContact CG2-CG 4.27Å
64S92Very high93.6Very high36 Ų3638.9 Ų38.925%0.25220%0.201SC..  trans-99.9-122.5178.8-45.90000111N42 D70N42-S64 WeakPolarHBondContact CB-O 3.48Å; N42-S64 PolarHBondContact ND2-O 3.16Å; S64-D70 PolarHBondContact N-O 2.87Å; S64-D70 VanDerWaalsContact N-O 3.12Å
65E89.5Confident93.8Very high128 Ų12831.9 Ų31.960%0.59817%0.17SC*.SBendtrans-77.6-49.7-174.2-170.4174.4-179.300112.2L167E65-L167 HydrophobicContact CG-CD1 4.05Å; E65-L167 HydrophobicContact CG-CD2 4.43Å
66D92.2Very high94.1Very high13 Ų1330.8 Ų30.87%0.0716%0.159CC..SBendtrans-90.5126.1175.6-167.7-75.9000111.1M68 T69 D70 L167 V168D66-M68 PolarHBondContact O-N 2.91Å; D66-M68 VanDerWaalsContact OD1-CA 3.28Å; D66-M68 WeakPolarHBondContact OD1-CA 3.29Å; D66-M68 WeakPolarHBondContact OD1-CB 3.12Å; D66-M68 PolarHBondContact OD1-N 2.88Å; D66-T69 WeakPolarHBondContact CB-OG1 3.35Å; D66-T69 PolarHBondContact OD1-N 3.36Å; D66-T69 PolarHBondContact OD1-OG1 3.25Å; D66-D70 HydrophobicContact CB-CB 4.46Å; D66-D70 PolarHBondContact O-N 3.44Å; D66-L167 HydrophobicContact CB-CD1 3.67Å; D66-L167 WeakPolarHBondContact OD2-CA 3.4Å; D66-L167 WeakPolarHBondContact OD2-CD1 3.48Å; D66-V168 PolarHBondContact OD2-N 2.77Å
67E91.1Very high94.1Very high16 Ų1632.7 Ų32.78%0.07517%0.165CC..THydrogen-bonded Turntrans-68.3-16.3-178.3-69.4-88.6170.300113.4R43 V63 F160 V168 T170 F191R43-E67 IonicContact NH1-OE2 3.68Å; R43-E67 PolarHBondContact NH1-OE2 2.96Å; V63-E67 HydrophobicContact CG1-CB 4.34Å; V63-E67 HydrophobicContact CG1-CG 4.3Å; E67-F160 HydrophobicContact CB-CD1 4.17Å; E67-F160 HydrophobicContact CB-CE1 3.9Å; E67-F160 HydrophobicContact CG-CD1 4.2Å; E67-F160 HydrophobicContact CG-CE1 3.83Å; E67-V168 PolarHBondContact N-O 3.08Å; E67-V168 VanDerWaalsContact N-O 3.08Å; E67-T170 HydrophobicContact CG-CG2 4.47Å; E67-F191 HydrophobicContact CB-CE1 4.24Å; E67-F191 HydrophobicContact CB-CZ 3.77Å; E67-F191 WeakPolarHBondContact O-CE1 3.24Å
68M87.6Confident93.9Very high30 Ų3036.3 Ų36.315%0.14818%0.184CC..THydrogen-bonded Turntrans-107.2-44.1-171.1-160.8174.7-166.800112.9D66 K71 V168 T192 E193 L215D66-M68 PolarHBondContact O-N 2.91Å; D66-M68 VanDerWaalsContact OD1-CA 3.28Å; D66-M68 WeakPolarHBondContact OD1-CA 3.29Å; D66-M68 WeakPolarHBondContact OD1-CB 3.12Å; D66-M68 PolarHBondContact OD1-N 2.88Å; M68-K71 WeakPolarHBondContact O-CE 3.48Å; M68-V168 HydrophobicContact CB-CB 4.33Å; M68-V168 HydrophobicContact CB-CG2 4.41Å; M68-V168 HydrophobicContact SD-CG2 4.09Å; M68-T192 WeakPolarHBondContact CE-O 3.17Å; M68-E193 HydrophobicContact CE-CG 4.25Å; M68-L215 HydrophobicContact CE-CD2 3.85Å
69T86.3Confident93.9Very high91 Ų9136.1 Ų36.156%0.55818%0.183SC*.THydrogen-bonded Turntrans-94.4-36.6-176.160.60000113.3D66 K71D66-T69 WeakPolarHBondContact CB-OG1 3.35Å; D66-T69 PolarHBondContact OD1-N 3.36Å; D66-T69 PolarHBondContact OD1-OG1 3.25Å; T69-K71 VanDerWaalsContact C-N 3.26Å; T69-K71 PolarHBondContact O-N 2.75Å
70D87.6Confident93.7Very high68 Ų6839.9 Ų39.936%0.36421%0.206SC..  trans-93.250-168.3-63.8-13.1000112.8S64 D66S64-D70 PolarHBondContact N-O 2.87Å; S64-D70 VanDerWaalsContact N-O 3.12Å; D66-D70 HydrophobicContact CB-CB 4.46Å; D66-D70 PolarHBondContact O-N 3.44Å
71K91.8Very high93.6Very high51 Ų5144.1 Ų44.122%0.22223%0.229CC..EExtended strand (participates in β ladder)trans-98.7130.7179.9-68.7-173-77.6177.40111.6G62 V63 M68 T69 D149G62-K71 CarbonylContact O-C 3.58Å; G62-K71 WeakPolarHBondContact O-CA 3.3Å; V63-K71 HydrophobicContact CG2-CG 4.27Å; M68-K71 WeakPolarHBondContact O-CE 3.48Å; T69-K71 VanDerWaalsContact C-N 3.26Å; T69-K71 PolarHBondContact O-N 2.75Å; K71-D149 IonicContact NZ-OD2 3.95Å; K71-D149 PolarHBondContact NZ-OD2 2.91Å
72K94.8Very high93.7Very high110 Ų11045.7 Ų45.748%0.47824%0.235SC..EExtended strand (participates in β ladder)trans-117121.8170.4-65.6-173.8-173.6173.10109.8F41 Q61 G62 L84F41-K72 HydrophobicContact CE1-CB 4.08Å; F41-K72 HydrophobicContact CE1-CD 3.96Å; F41-K72 HydrophobicContact CE1-CG 4.26Å; F41-K72 HydrophobicContact CZ-CB 3.92Å; F41-K72 HydrophobicContact CZ-CD 4.08Å; F41-K72 HydrophobicContact CZ-CG 4.46Å; Q61-K72 CarbonylContact C-O 3.56Å; Q61-K72 WeakPolarHBondContact CA-O 3.25Å; G62-K72 PolarHBondContact N-O 2.78Å; G62-K72 PolarHBondContact O-N 3.49Å; K72-L84 HydrophobicContact CB-CD1 4.07Å; K72-L84 HydrophobicContact CD-CD1 4.43Å
73S96.6Very high93.7Very high28 Ų2850 Ų5020%0.19626%0.255CS..EExtended strand (participates in β ladder)trans-90.3137.4177.4-570000110.5A60 L85A60-S73 CarbonylContact O-C 3.6Å; A60-S73 WeakPolarHBondContact O-CA 3.31Å; S73-L85 WeakPolarHBondContact O-CB 3.34Å; S73-L85 PolarHBondContact O-N 2.81Å
74L97.5Very high93.8Very high6 Ų654.9 Ų54.93%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-127.8148.2175.6-6198.3000109.6L35 F41 I59 A60 W82 H83 L84L35-L74 HydrophobicContact CD1-CD1 4.42Å; L35-L74 HydrophobicContact CD1-CD2 3.68Å; L35-L74 HydrophobicContact CD2-CD1 4.33Å; F41-L74 HydrophobicContact CE2-CD1 4.18Å; F41-L74 HydrophobicContact CZ-CD1 4.37Å; I59-L74 WeakPolarHBondContact CA-O 3.43Å; A60-L74 PolarHBondContact N-O 3.22Å; A60-L74 PolarHBondContact O-N 2.8Å; L74-W82 HydrophobicContact CB-CB 4.39Å; L74-W82 HydrophobicContact CB-CE3 3.95Å; L74-W82 HydrophobicContact CD2-CB 4.07Å; L74-H83 CarbonylContact C-O 3.5Å; L74-H83 WeakPolarHBondContact CA-O 3.42Å; L74-H83 WeakPolarHBondContact CB-O 3.28Å; L74-L84 HydrophobicContact CG-CD1 4.14Å
75Y97.8Very high94Very high17 Ų1753.6 Ų53.67%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-116.4156.5174.574.8-84.6000112Y57 F58 F77 W82 H83 L85 P108 E138 L141Y57-Y75 AromaticContact CD1-CD2 3.98Å; Y57-Y75 HydrophobicContact CD1-CD2 3.98Å; Y57-Y75 HydrophobicContact CE1-CD2 4.28Å; F58-Y75 CarbonylContact O-C 3.45Å; F58-Y75 VanDerWaalsContact O-CA 3.22Å; F58-Y75 WeakPolarHBondContact O-CA 3.33Å; Y75-F77 HydrophobicContact CD2-CE2 4.28Å; Y75-F77 AromaticContact CE2-CE2 3.88Å; Y75-F77 HydrophobicContact CE2-CE2 3.88Å; Y75-F77 HydrophobicContact CE2-CZ 4.38Å; Y75-W82 WeakPolarHBondContact O-CA 3.4Å; Y75-H83 HydrophobicContact CD1-CB 3.9Å; Y75-H83 WeakPolarHBondContact CD1-O 3.46Å; Y75-H83 HydrophobicContact CE1-CB 3.51Å; Y75-H83 HydrophobicContact CE2-CB 4.12Å; Y75-H83 HydrophobicContact CG-CB 4.43Å; Y75-H83 PolarHBondContact N-O 2.91Å; Y75-H83 PolarHBondContact O-N 2.82Å; Y75-L85 HydrophobicContact CD1-CD2 3.35Å; Y75-L85 HydrophobicContact CD1-CG 3.74Å; Y75-L85 HydrophobicContact CE1-CD2 3.84Å; Y75-L85 HydrophobicContact CG-CD2 4.19Å; Y75-P108 HydrophobicContact CE2-CB 4.48Å; Y75-P108 HydrophobicContact CE2-CG 3.81Å; Y75-E138 HydrophobicContact CE1-CG 4.29Å; Y75-E138 WeakPolarHBondContact CE1-OE1 3.32Å; Y75-E138 PolarHBondContact OH-OE1 2.86Å; Y75-L141 HydrophobicContact CG-CD2 4.19Å
76S97.6Very high94.2Very high0 Ų049.6 Ų49.60%026%0.256CS..EExtended strand (participates in β ladder)trans-148.1153.6175.4-175.60000110F58 N78 C79 D81F58-S76 WeakPolarHBondContact CD2-O 2.96Å; F58-S76 PolarHBondContact N-O 3.04Å; F58-S76 PolarHBondContact O-N 3.4Å; S76-N78 PolarHBondContact OG-N 3.39Å; S76-N78 PolarHBondContact OG-OD1 3.35Å; S76-N78 VanDerWaalsContact OG-OD1 3.13Å; S76-C79 PolarHBondContact OG-N 3.25Å; S76-D81 WeakPolarHBondContact CA-O 3.35Å; S76-D81 WeakPolarHBondContact CB-O 3.46Å; S76-D81 PolarHBondContact OG-O 3.39Å
77F95.9Very high94.1Very high84 Ų8454.2 Ų54.237%0.36829%0.287SS..SBendtrans-99.8-24.6170.9-69.2-72.3000113D56 Y57 F58 Y75 P108D56-F77 WeakPolarHBondContact O-CD1 3.3Å; Y57-F77 HydrophobicContact CD1-CD1 4.42Å; Y57-F77 AromaticContact CD1-CE1 3.64Å; Y57-F77 HydrophobicContact CD1-CE1 3.64Å; Y57-F77 AromaticContact CD1-CZ 3.77Å; Y57-F77 HydrophobicContact CD1-CZ 3.77Å; Y57-F77 AromaticContact CE1-CE1 3.4Å; Y57-F77 HydrophobicContact CE1-CE1 3.4Å; Y57-F77 VanDerWaalsContact CE1-CE1 3.4Å; Y57-F77 HydrophobicContact CE1-CE2 4.27Å; Y57-F77 AromaticContact CE1-CZ 3.23Å; Y57-F77 HydrophobicContact CE1-CZ 3.23Å; Y57-F77 HydrophobicContact CG-CE1 4.37Å; Y57-F77 AromaticContact CZ-CE1 3.94Å; Y57-F77 AromaticContact CZ-CZ 3.95Å; F58-F77 WeakPolarHBondContact CE2-O 3.09Å; Y75-F77 HydrophobicContact CD2-CE2 4.28Å; Y75-F77 AromaticContact CE2-CE2 3.88Å; Y75-F77 HydrophobicContact CE2-CE2 3.88Å; Y75-F77 HydrophobicContact CE2-CZ 4.38Å; F77-P108 HydrophobicContact CE2-CG 3.74Å; F77-P108 HydrophobicContact CZ-CG 3.63Å
78N94.3Very high94.1Very high76 Ų7654.6 Ų54.641%0.40629%0.292SS..SBendtrans-120.74.8-171.364.61.5000113.3S76 V80 D81S76-N78 PolarHBondContact OG-N 3.39Å; S76-N78 PolarHBondContact OG-OD1 3.35Å; S76-N78 VanDerWaalsContact OG-OD1 3.13Å; N78-V80 PolarHBondContact O-N 3.07Å; N78-V80 PolarHBondContact OD1-N 3.12Å; N78-D81 PolarHBondContact ND2-OD2 3.03Å; N78-D81 PolarHBondContact OD1-N 3.47Å
79C95.9Very high94.2Very high0 Ų056.8 Ų56.80%031%0.307CS..SBendtrans62.315.4-174.8-60.20000114.7A27 L28 S31 F58 S76A27-C79 HydrophobicContact CB-CB 3.81Å; L28-C79 HydrophobicContact CD2-CB 3.7Å; L28-C79 HydrophobicContact CG-CB 3.82Å; S31-C79 WeakPolarHBondContact CB-O 3.37Å; S31-C79 PolarHBondContact OG-O 3.33Å; F58-C79 WeakPolarHBondContact CD1-SG 3.36Å; F58-C79 WeakPolarHBondContact CG-SG 3.29Å; S76-C79 PolarHBondContact OG-N 3.25Å
80V95.1Very high94.2Very high79 Ų7960.4 Ų60.448%0.47932%0.318SS..SBendtrans-121.9-54.4-179.2179.50000110.5A27 N78A27-V80 HydrophobicContact CB-CG2 3.93Å; N78-V80 PolarHBondContact O-N 3.07Å; N78-V80 PolarHBondContact OD1-N 3.12Å
81D95.9Very high94.2Very high90 Ų9060 Ų6048%0.48132%0.324SS..SBendtrans-90.5117.5-178.9-58.5-58.2000109.6S76 N78S76-D81 WeakPolarHBondContact CA-O 3.35Å; S76-D81 WeakPolarHBondContact CB-O 3.46Å; S76-D81 PolarHBondContact OG-O 3.39Å; N78-D81 PolarHBondContact ND2-OD2 3.03Å; N78-D81 PolarHBondContact OD1-N 3.47Å
82W97.3Very high94Very high37 Ų3758.3 Ų58.314%0.1432%0.317CS..  trans-110.4128.5-174.9-67.895.5000111.2L28 S31 L32 L35 F46 F58 A60 L74 Y75L28-W82 HydrophobicContact CD2-CH2 4.02Å; L28-W82 HydrophobicContact CD2-CZ2 3.63Å; S31-W82 PolarHBondContact OG-NE1 3.08Å; S31-W82 VanDerWaalsContact OG-NE1 3.12Å; L32-W82 HydrophobicContact CD2-CH2 4.14Å; L32-W82 HydrophobicContact CD2-CZ2 3.55Å; L32-W82 HydrophobicContact CG-CZ2 4.43Å; L35-W82 HydrophobicContact CD1-CB 3.95Å; L35-W82 HydrophobicContact CD1-CG 4.14Å; L35-W82 HydrophobicContact CD2-CD2 4.19Å; L35-W82 HydrophobicContact CD2-CG 4.18Å; F46-W82 HydrophobicContact CD2-CH2 4.43Å; F46-W82 HydrophobicContact CE2-CH2 4.39Å; F58-W82 HydrophobicContact CB-CH2 4.39Å; F58-W82 WeakPolarHBondContact O-CZ3 3.25Å; A60-W82 HydrophobicContact CB-CD2 4.45Å; A60-W82 HydrophobicContact CB-CE3 3.88Å; A60-W82 HydrophobicContact CB-CH2 3.45Å; A60-W82 VanDerWaalsContact CB-CH2 3.45Å; A60-W82 HydrophobicContact CB-CZ2 4.05Å; A60-W82 HydrophobicContact CB-CZ3 3.36Å; L74-W82 HydrophobicContact CB-CB 4.39Å; L74-W82 HydrophobicContact CB-CE3 3.95Å; L74-W82 HydrophobicContact CD2-CB 4.07Å; Y75-W82 WeakPolarHBondContact O-CA 3.4Å
83H96.8Very high93.7Very high91 Ų9155.1 Ų55.142%0.42131%0.305SS..EExtended strand (participates in β ladder)trans-113.5137.6178.7-58.1-72.8000110.1L74 Y75L74-H83 CarbonylContact C-O 3.5Å; L74-H83 WeakPolarHBondContact CA-O 3.42Å; L74-H83 WeakPolarHBondContact CB-O 3.28Å; Y75-H83 HydrophobicContact CD1-CB 3.9Å; Y75-H83 WeakPolarHBondContact CD1-O 3.46Å; Y75-H83 HydrophobicContact CE1-CB 3.51Å; Y75-H83 HydrophobicContact CE2-CB 4.12Å; Y75-H83 HydrophobicContact CG-CB 4.43Å; Y75-H83 PolarHBondContact N-O 2.91Å; Y75-H83 PolarHBondContact O-N 2.82Å
84L96.4Very high93.2Very high101 Ų10156.4 Ų56.453%0.52932%0.317SS..EExtended strand (participates in β ladder)trans-74.6129.9-178.7-176.467.3000110.4K72 L74K72-L84 HydrophobicContact CB-CD1 4.07Å; K72-L84 HydrophobicContact CD-CD1 4.43Å; L74-L84 HydrophobicContact CG-CD1 4.14Å
85L95.4Very high92.6Very high9 Ų960.1 Ų60.15%0.04733%0.334CS..PPolyproline II helixtrans-79.1142.9170.6-72170.7000110.6I59 S73 Y75 E138 L141 A142I59-L85 HydrophobicContact CD1-CD1 4.41Å; S73-L85 WeakPolarHBondContact O-CB 3.34Å; S73-L85 PolarHBondContact O-N 2.81Å; Y75-L85 HydrophobicContact CD1-CD2 3.35Å; Y75-L85 HydrophobicContact CD1-CG 3.74Å; Y75-L85 HydrophobicContact CE1-CD2 3.84Å; Y75-L85 HydrophobicContact CG-CD2 4.19Å; L85-E138 HydrophobicContact CD2-CG 4.19Å; L85-L141 HydrophobicContact CD1-CG 4.43Å; L85-L141 HydrophobicContact CD2-CB 4.49Å; L85-L141 HydrophobicContact CD2-CD2 4Å; L85-L141 HydrophobicContact CD2-CG 4.25Å; L85-A142 HydrophobicContact CB-CB 4.1Å; L85-A142 HydrophobicContact CD2-CB 4.26Å
86P93.8Very high92Very high44 Ų4459.8 Ų59.829%0.28633%0.334SS..PPolyproline II helixtrans-62.2147.6170.127.8-33.9000110.2A88 A142P86-A88 PolarHBondContact O-N 3.47Å; P86-A142 HydrophobicContact CG-CB 4.08Å; P86-A142 WeakPolarHBondContact O-CB 3.48Å
87P90.9Very high91.3Very high111 Ų11163.5 Ų63.572%0.72136%0.36SS*.PPolyproline II helixtrans-63.2133.5174.227.3-33.4000109.9T89P87-T89 PolarHBondContact O-N 2.95Å
88A90.6Very high90.4Very high23 Ų2361.1 Ų61.119%0.1936%0.356CS..  trans-74.4111177.500000109.9P86 I93 H146P86-A88 PolarHBondContact O-N 3.47Å; A88-I93 HydrophobicContact CB-CD1 4.3Å; A88-I93 HydrophobicContact CB-CG1 4.34Å; A88-H146 HydrophobicContact CB-CB 3.5Å; A88-H146 VanDerWaalsContact CB-CB 3.5Å
89T89.7Confident89.6Confident76 Ų7658.2 Ų58.247%0.46634%0.341SS..  trans-88.2155171.561.10000110.4P87 A91 M92 I93P87-T89 PolarHBondContact O-N 2.95Å; T89-A91 VanDerWaalsContact C-N 3.25Å; T89-A91 PolarHBondContact O-N 2.99Å; T89-M92 WeakPolarHBondContact O-CB 3.45Å; T89-M92 PolarHBondContact O-N 3.24Å; T89-M92 VanDerWaalsContact OG1-CB 3.28Å; T89-M92 WeakPolarHBondContact OG1-CB 3.48Å; T89-M92 PolarHBondContact OG1-N 3.13Å; T89-I93 WeakPolarHBondContact O-CG1 3.3Å; T89-I93 PolarHBondContact O-N 2.97Å
90E87.6Confident88.7Confident168 Ų16858.7 Ų58.779%0.78535%0.345SS*.Hα-helixtrans-58.3-38.9178.9-64.4-173.6162.200112.4M92 I93 A94E90-M92 VanDerWaalsContact C-N 3.34Å; E90-M92 PolarHBondContact O-N 3.17Å; E90-I93 PolarHBondContact O-N 2.79Å; E90-A94 PolarHBondContact O-N 2.9Å
91A86.3Confident88.1Confident60 Ų6063 Ų6350%0.49636%0.357SS..Hα-helixtrans-59.6-44.6173.600000111.8T89 I93 A94 E95T89-A91 VanDerWaalsContact C-N 3.25Å; T89-A91 PolarHBondContact O-N 2.99Å; A91-I93 VanDerWaalsContact C-N 3.32Å; A91-I93 PolarHBondContact O-N 2.85Å; A91-A94 PolarHBondContact O-N 2.8Å; A91-E95 WeakPolarHBondContact O-CG 3.45Å; A91-E95 PolarHBondContact O-N 2.66Å
92M87.4Confident87.7Confident14 Ų1460.3 Ų60.37%0.06935%0.351CS..Hα-helixtrans-66.6-34179.2-172.2174.1121.800112.4T89 E90 V96 K139 A142 S143T89-M92 WeakPolarHBondContact O-CB 3.45Å; T89-M92 PolarHBondContact O-N 3.24Å; T89-M92 VanDerWaalsContact OG1-CB 3.28Å; T89-M92 WeakPolarHBondContact OG1-CB 3.48Å; T89-M92 PolarHBondContact OG1-N 3.13Å; E90-M92 VanDerWaalsContact C-N 3.34Å; E90-M92 PolarHBondContact O-N 3.17Å; M92-V96 VanDerWaalsContact O-CB 3.3Å; M92-V96 WeakPolarHBondContact O-CB 3.48Å; M92-V96 WeakPolarHBondContact O-CG2 3.16Å; M92-V96 PolarHBondContact O-N 3.29Å; M92-K139 VanDerWaalsContact CE-CA 3.47Å; M92-K139 HydrophobicContact CE-CB 3.66Å; M92-K139 HydrophobicContact CE-CG 4.16Å; M92-K139 WeakPolarHBondContact CE-O 3.41Å; M92-K139 HydrophobicContact CG-CB 4.27Å; M92-K139 HydrophobicContact CG-CD 4.45Å; M92-K139 HydrophobicContact SD-CB 3.9Å; M92-K139 HydrophobicContact SD-CD 4.1Å; M92-K139 HydrophobicContact SD-CG 3.9Å; M92-A142 HydrophobicContact CE-CB 3.72Å; M92-S143 VanDerWaalsContact CE-OG 3.25Å; M92-S143 WeakPolarHBondContact CE-OG 3.45Å
93I88.6Confident87.4Confident43 Ų4366.4 Ų66.422%0.22137%0.374CS..Hα-helixtrans-67.8-44.9175-64.6164.7000110.1A88 T89 E90 A91 V96 S97A88-I93 HydrophobicContact CB-CD1 4.3Å; A88-I93 HydrophobicContact CB-CG1 4.34Å; T89-I93 WeakPolarHBondContact O-CG1 3.3Å; T89-I93 PolarHBondContact O-N 2.97Å; E90-I93 PolarHBondContact O-N 2.79Å; A91-I93 VanDerWaalsContact C-N 3.32Å; A91-I93 PolarHBondContact O-N 2.85Å; I93-V96 PolarHBondContact O-N 3.49Å; I93-S97 WeakPolarHBondContact O-CB 3.32Å; I93-S97 PolarHBondContact O-N 2.64Å; I93-S97 PolarHBondContact O-OG 3.21Å
94A86.3Confident87.3Confident55 Ų5562.1 Ų62.146%0.45535%0.354SS..Hα-helixtrans-58.5-52.4176.600000111.6E90 A91 V96 S97 A98E90-A94 PolarHBondContact O-N 2.9Å; A91-A94 PolarHBondContact O-N 2.8Å; A94-V96 PolarHBondContact O-N 3.24Å; A94-S97 PolarHBondContact O-N 2.83Å; A94-S97 PolarHBondContact O-OG 2.93Å; A94-A98 PolarHBondContact O-N 3.45Å; A94-A98 VanDerWaalsContact O-N 3.16Å
95E84.1Confident87.1Confident84 Ų8458.4 Ų58.439%0.39334%0.336SS..Hα-helixtrans-55.2-47.6176.4-73172.6-170.900112.4A91 S97 A98 T99 V135A91-E95 WeakPolarHBondContact O-CG 3.45Å; A91-E95 PolarHBondContact O-N 2.66Å; E95-S97 PolarHBondContact O-N 3.27Å; E95-A98 PolarHBondContact O-N 2.77Å; E95-T99 VanDerWaalsContact O-CB 3.29Å; E95-T99 WeakPolarHBondContact O-CB 3.35Å; E95-T99 PolarHBondContact O-N 2.8Å; E95-T99 PolarHBondContact O-OG1 3.07Å; E95-V135 HydrophobicContact CB-CG2 4.37Å
96V86.3Confident87Confident10 Ų1058.6 Ų58.66%0.06134%0.34CS..Hα-helixtrans-61.3-45179.4165.30000111.2M92 I93 A94 A98 T99 A100 V135 R140M92-V96 VanDerWaalsContact O-CB 3.3Å; M92-V96 WeakPolarHBondContact O-CB 3.48Å; M92-V96 WeakPolarHBondContact O-CG2 3.16Å; M92-V96 PolarHBondContact O-N 3.29Å; I93-V96 PolarHBondContact O-N 3.49Å; A94-V96 PolarHBondContact O-N 3.24Å; V96-A98 VanDerWaalsContact C-N 3.3Å; V96-A98 PolarHBondContact O-N 2.78Å; V96-T99 PolarHBondContact O-N 3.49Å; V96-A100 PolarHBondContact O-N 3.09Å; V96-V135 HydrophobicContact CG2-CG1 3.66Å; V96-R140 HydrophobicContact CG1-CB 4.2Å; V96-R140 HydrophobicContact CG1-CG 3.84Å; V96-R140 HydrophobicContact CG2-CB 4.38Å
97S82.6Confident87Confident78 Ų7859.5 Ų59.555%0.54534%0.342SS..Hα-helixtrans-64.1-32.2-178.770.90000113.9I93 A94 E95I93-S97 WeakPolarHBondContact O-CB 3.32Å; I93-S97 PolarHBondContact O-N 2.64Å; I93-S97 PolarHBondContact O-OG 3.21Å; A94-S97 PolarHBondContact O-N 2.83Å; A94-S97 PolarHBondContact O-OG 2.93Å; E95-S97 PolarHBondContact O-N 3.27Å
98A77.4Confident87Confident35 Ų3555.2 Ų55.229%0.28931%0.314SS..Hα-helixtrans-75-42.6175.100000111.2A94 E95 V96A94-A98 PolarHBondContact O-N 3.45Å; A94-A98 VanDerWaalsContact O-N 3.16Å; E95-A98 PolarHBondContact O-N 2.77Å; V96-A98 VanDerWaalsContact C-N 3.3Å; V96-A98 PolarHBondContact O-N 2.78Å
99T78.2Confident87.1Confident14 Ų1458.1 Ų58.19%0.08633%0.333CS..Hα-helixtrans-89.6-44.4-165.3-500000113.5E95 V96 H114 V135E95-T99 VanDerWaalsContact O-CB 3.29Å; E95-T99 WeakPolarHBondContact O-CB 3.35Å; E95-T99 PolarHBondContact O-N 2.8Å; E95-T99 PolarHBondContact O-OG1 3.07Å; V96-T99 PolarHBondContact O-N 3.49Å; T99-H114 HydrophobicContact CG2-CB 3.54Å; T99-V135 HydrophobicContact CG2-CB 4.16Å; T99-V135 HydrophobicContact CG2-CG2 3.92Å
100A77.1Confident87.2Confident11 Ų1157.7 Ų57.79%0.09133%0.326CS..  trans-113.4106.1-164.400000112.1V96 Y112 R140V96-A100 PolarHBondContact O-N 3.09Å; A100-Y112 HydrophobicContact CB-CD1 4.07Å; A100-Y112 HydrophobicContact CB-CD2 4.09Å; A100-Y112 HydrophobicContact CB-CG 3.81Å; A100-R140 HydrophobicContact CB-CG 4.1Å
101K81.1Confident87.3Confident169 Ų16953.7 Ų53.774%0.73531%0.307SS*.  trans-119.3153.2177.4-62.5-179.6-175.9175.60110.9
102G87.5Confident87.3Confident33 Ų3352.1 Ų52.134%0.3429%0.289SS..SBendtrans94.7-158.317700000113.7R140 L268G102-R140 PolarHBondContact O-NH2 2.67Å; G102-L268 WeakPolarHBondContact O-CD2 3.45Å
103R90.8Very high87.2Confident166 Ų16657.2 Ų57.263%0.62631%0.312SS*.  trans-78.7162-177.1-67.8-175.3173.7-178.8-0.3112.1I53 R140I53-R103 HydrophobicContact CD1-CB 4.27Å; I53-R103 HydrophobicContact CG1-CB 4.22Å; R103-R140 PolarHBondContact O-NH1 3.05Å
104F94.6Very high86.6Confident0 Ų058.8 Ų58.80%032%0.318CS..BIsolated β-bridgetrans-74.6147.3170.5-77.2-95.9000110.7I50 G52 I53 Y57 E137 R140 L141 T144I50-F104 HydrophobicContact CG2-CD2 3.49Å; I50-F104 VanDerWaalsContact CG2-CD2 3.49Å; I50-F104 HydrophobicContact CG2-CE2 3.74Å; I50-F104 HydrophobicContact CG2-CG 3.97Å; I50-F104 HydrophobicContact CG2-CZ 4.4Å; G52-F104 CarbonylContact C-O 3.39Å; G52-F104 VanDerWaalsContact CA-O 3.27Å; G52-F104 WeakPolarHBondContact CA-O 2.89Å; I53-F104 WeakPolarHBondContact CG1-O 3.32Å; I53-F104 PolarHBondContact N-O 2.89Å; Y57-F104 HydrophobicContact CE2-CB 4.27Å; Y57-F104 HydrophobicContact CE2-CD1 4.17Å; F104-E137 HydrophobicContact CD1-CG 3.83Å; F104-E137 HydrophobicContact CE1-CG 4.31Å; F104-R140 HydrophobicContact CE1-CB 4.31Å; F104-R140 HydrophobicContact CE1-CG 3.77Å; F104-R140 HydrophobicContact CZ-CG 3.9Å; F104-L141 HydrophobicContact CE1-CB 4.07Å; F104-L141 HydrophobicContact CE1-CD1 4.09Å; F104-L141 HydrophobicContact CZ-CD1 4.4Å; F104-T144 HydrophobicContact CE2-CG2 4.33Å; F104-T144 HydrophobicContact CZ-CG2 4.24Å
105V93.5Very high86Confident24 Ų2459.4 Ų59.415%0.14532%0.317CS..  trans-80-37.1176178.10000110.6I53 K54 H110 E137I53-V105 PolarHBondContact N-O 3.39Å; K54-V105 VanDerWaalsContact CB-O 3.25Å; K54-V105 WeakPolarHBondContact CB-O 3.38Å; K54-V105 HydrophobicContact CD-CG1 3.89Å; K54-V105 HydrophobicContact CG-CG1 4.2Å; K54-V105 PolarHBondContact N-O 3.28Å; V105-H110 VanDerWaalsContact CG2-CD2 3.5Å; V105-H110 WeakPolarHBondContact CG2-CD2 3.11Å; V105-E137 WeakPolarHBondContact CB-OE2 3.02Å; V105-E137 PolarHBondContact N-OE1 3.04Å; V105-E137 PolarHBondContact N-OE2 3.36Å; V105-E137 VanDerWaalsContact N-OE2 3.1Å
106G93.1Very high85.1Confident13 Ų1358 Ų5813%0.13431%0.31CS..SBendtrans94.923.3-172.100000113.4G55 Y57 E137G55-G106 VanDerWaalsContact O-CA 3.27Å; G55-G106 WeakPolarHBondContact O-CA 3.27Å; Y57-G106 VanDerWaalsContact OH-C 3.31Å; G106-E137 PolarHBondContact N-OE1 3.01Å
107D92.9Very high84.2Confident62 Ų6262.3 Ų62.333%0.33233%0.332SS..  trans-132.8116.9173.1-179.7-7.2000109.6Y57 S109 H110 E137Y57-D107 PolarHBondContact OH-N 2.86Å; D107-S109 PolarHBondContact O-N 3.02Å; D107-S109 VanDerWaalsContact O-N 3.16Å; D107-S109 WeakPolarHBondContact OD1-CB 3.3Å; D107-S109 PolarHBondContact OD1-N 2.94Å; D107-H110 HydrophobicContact CB-CB 4.27Å; D107-H110 WeakPolarHBondContact O-CB 3.43Å; D107-H110 PolarHBondContact O-N 2.88Å; D107-H110 VanDerWaalsContact O-N 3.14Å; D107-E137 PolarHBondContact N-OE1 3.49Å; D107-E137 VanDerWaalsContact O-CB 3.26Å; D107-E137 WeakPolarHBondContact O-CB 3.48Å
108P92.1Very high83.4Confident21 Ų2164.8 Ų64.814%0.13633%0.329CS..THydrogen-bonded Turntrans-63.7-23.8-177-16.330.6000113.1Y57 Y75 F77 E138Y57-P108 HydrophobicContact CE1-CG 4.21Å; Y75-P108 HydrophobicContact CE2-CB 4.48Å; Y75-P108 HydrophobicContact CE2-CG 3.81Å; F77-P108 HydrophobicContact CE2-CG 3.74Å; F77-P108 HydrophobicContact CZ-CG 3.63Å; P108-E138 HydrophobicContact CB-CB 4.07Å; P108-E138 PolarHBondContact O-N 3.26Å
109S92.4Very high82.6Confident85 Ų8571.5 Ų71.559%0.59435%0.347SS*.THydrogen-bonded Turntrans-86.3-7.5-177.9-56.30000113D107D107-S109 PolarHBondContact O-N 3.02Å; D107-S109 VanDerWaalsContact O-N 3.16Å; D107-S109 WeakPolarHBondContact OD1-CB 3.3Å; D107-S109 PolarHBondContact OD1-N 2.94Å
110H90.9Very high81.5Confident67 Ų6777 Ų7731%0.3137%0.371SS..  trans-63.9136.7178-17758.6000110.9V105 D107 Y112 K136 E137V105-H110 VanDerWaalsContact CG2-CD2 3.5Å; V105-H110 WeakPolarHBondContact CG2-CD2 3.11Å; D107-H110 HydrophobicContact CB-CB 4.27Å; D107-H110 WeakPolarHBondContact O-CB 3.43Å; D107-H110 PolarHBondContact O-N 2.88Å; D107-H110 VanDerWaalsContact O-N 3.14Å; H110-Y112 AromaticContact CD2-CE2 3.68Å; H110-Y112 AromaticContact CD2-CZ 3.57Å; H110-K136 CarbonylContact O-C 3.59Å; H110-K136 WeakPolarHBondContact O-CA 3.2Å; H110-E137 HydrophobicContact CB-CB 4.21Å; H110-E137 IonicContact CD2-OE2 3.33Å; H110-E137 PolarHBondContact O-N 3.2Å
111E90.3Very high80.7Confident84 Ų8479.2 Ų79.239%0.39340%0.396SS..EExtended strand (participates in β ladder)trans-110.9125.6-179.5-66.6-173.5170.900110.2K136E111-K136 HydrophobicContact CG-CG 4.05Å; E111-K136 WeakPolarHBondContact OE1-CE 3.4Å
112Y86.4Confident79.1Confident27 Ų2780.8 Ų80.811%0.10641%0.406CS..EExtended strand (participates in β ladder)trans-89.9132.7169.5-62.1-91.4000108.6A100 H110 K134 V135 E137 R140A100-Y112 HydrophobicContact CB-CD1 4.07Å; A100-Y112 HydrophobicContact CB-CD2 4.09Å; A100-Y112 HydrophobicContact CB-CG 3.81Å; H110-Y112 AromaticContact CD2-CE2 3.68Å; H110-Y112 AromaticContact CD2-CZ 3.57Å; Y112-K134 WeakPolarHBondContact O-CA 3.35Å; Y112-V135 PolarHBondContact N-O 3.28Å; Y112-V135 PolarHBondContact O-N 3.29Å; Y112-E137 HydrophobicContact CE2-CB 3.86Å; Y112-E137 HydrophobicContact CE2-CG 4.07Å; Y112-E137 PolarHBondContact OH-OE2 3.33Å; Y112-R140 PolarHBondContact OH-NH1 3.03Å
113E85Confident77.9Confident121 Ų12182.2 Ų82.257%0.56542%0.42SS*.EExtended strand (participates in β ladder)trans-111.6133.8179.4-57.8-171.3157.900110V132 K134E113-V132 HydrophobicContact CB-CG1 4.35Å; E113-K134 HydrophobicContact CG-CD 4.34Å; E113-K134 HydrophobicContact CG-CG 4.25Å; E113-K134 VanDerWaalsContact OE1-CE 3.22Å; E113-K134 WeakPolarHBondContact OE1-CE 3.44Å; E113-K134 IonicContact OE1-NZ 3.13Å; E113-K134 PolarHBondContact OE1-NZ 3.39Å
114H76.8Confident76.4Confident76 Ų7683.1 Ų83.135%0.35244%0.437SS..EExtended strand (participates in β ladder)trans-137.2131.5171.6-176.668.7000109.9T99 V133T99-H114 HydrophobicContact CG2-CB 3.54Å; H114-V133 PolarHBondContact N-O 3.04Å; H114-V133 PolarHBondContact O-N 3.16Å
115T72.2Confident74.6Confident68 Ų6891.6 Ų91.642%0.41748%0.477SS..EExtended strand (participates in β ladder)trans-91.4111.9176.4-45.80000109E130 V132T115-E130 HydrophobicContact CG2-CB 3.86Å; T115-E130 HydrophobicContact CG2-CG 4.14Å; T115-V132 HydrophobicContact CG2-CG2 4.33Å
116E65.5Low73Confident53 Ų5392 Ų9225%0.24848%0.483CS..EExtended strand (participates in β ladder)trans-90.1136.6169.1-67.3-171.8160.600109.6R118 E130 V131 V133E116-R118 IonicContact OE2-CZ 2.73Å; E116-R118 IonicContact OE2-NE 3.17Å; E116-R118 PolarHBondContact OE2-NE 3.37Å; E116-R118 IonicContact OE2-NH2 2.67Å; E116-R118 PolarHBondContact OE2-NH2 3.23Å; E116-E130 CarbonylContact O-C 3.52Å; E116-E130 WeakPolarHBondContact O-CA 3.34Å; E116-V131 PolarHBondContact N-O 3.36Å; E116-V131 PolarHBondContact O-N 2.81Å; E116-V133 HydrophobicContact CG-CG2 4.1Å
117I67.8Low71.7Confident101 Ų10196.1 Ų96.152%0.51851%0.505SS..EExtended strand (participates in β ladder)trans-95.6108.8169.5-56.8170.3000107.3E128 E130I117-E128 HydrophobicContact CG2-CB 3.7Å; I117-E128 HydrophobicContact CG2-CG 3.99Å; I117-E130 HydrophobicContact CG1-CG 4.27Å
118R66.4Low70.4Confident130 Ų13098.3 Ų98.349%0.49151%0.513SS..EExtended strand (participates in β ladder)trans-96122175-66.8-171.4-179.2177.2-1109.3E116 E129 V131E116-R118 IonicContact OE2-CZ 2.73Å; E116-R118 IonicContact OE2-NE 3.17Å; E116-R118 PolarHBondContact OE2-NE 3.37Å; E116-R118 IonicContact OE2-NH2 2.67Å; E116-R118 PolarHBondContact OE2-NH2 3.23Å; R118-E129 PolarHBondContact N-O 2.94Å; R118-E129 PolarHBondContact O-N 3.42Å; R118-V131 HydrophobicContact CG-CG2 4.23Å
119R59.9Low69.4Low177 Ų177101.8 Ų101.867%0.66853%0.528SS*.EExtended strand (participates in β ladder)trans-84.1115.7169.8-79.1179.1-171.5-179.92.7109.4A126 V127 E128R119-A126 HydrophobicContact CB-CB 4.38Å; R119-A126 HydrophobicContact CG-CB 4.5Å; R119-V127 WeakPolarHBondContact CA-O 3.43Å; R119-E128 HydrophobicContact CG-CG 3.77Å; R119-E128 IonicContact CZ-OE1 2.84Å; R119-E128 IonicContact NE-OE1 3.83Å; R119-E128 PolarHBondContact NE-OE1 3.28Å; R119-E128 IonicContact NH2-OE1 2.71Å; R119-E128 PolarHBondContact NH2-OE1 2.98Å
120Q55.6Low68.3Low128 Ų128104.7 Ų104.760%0.59853%0.532SS*.EExtended strand (participates in β ladder)trans-97.5117.1165.9-73.8-166.331.600109.6A126 V127 E129Q120-A126 WeakPolarHBondContact O-CA 3.08Å; Q120-V127 PolarHBondContact N-O 3.4Å; Q120-V127 PolarHBondContact O-N 3Å; Q120-E129 PolarHBondContact NE2-OE2 2.73Å
121G59.5Low67.5Low58 Ų58103.4 Ų103.460%0.59853%0.529SS*.SBendtrans129158175.400000114.3
122E47.3Very low66.8Low203 Ų203103.1 Ų103.195%0.94953%0.533SS*.SBendtrans-105.1130.1169.7-78.7-172.4158.100110
123G63.3Low66.4Low63 Ų63102.9 Ų102.965%0.64953%0.534SS*.SBendtrans97.2-164177.300000114.9E125 A126G123-E125 PolarHBondContact O-N 3.47Å; G123-A126 PolarHBondContact O-N 2.96Å
124D58.5Low66.4Low184 Ų184102.5 Ų102.598%0.98453%0.531SS*.THydrogen-bonded Turntrans-69.5-4.7-177.4-98.3-9.1000114.2
125E57.7Low67Low179 Ų17999 Ų9984%0.83651%0.514SS*.THydrogen-bonded Turntrans-99.212177.3-63.8-171167.700113.5G123 V127G123-E125 PolarHBondContact O-N 3.47Å; E125-V127 PolarHBondContact O-N 3.28Å
126A59.2Low68Low32 Ų32100.4 Ų100.426%0.26452%0.515SS..  trans-64.2121.1179.300000111.6R119 Q120 G123R119-A126 HydrophobicContact CB-CB 4.38Å; R119-A126 HydrophobicContact CG-CB 4.5Å; Q120-A126 WeakPolarHBondContact O-CA 3.08Å; G123-A126 PolarHBondContact O-N 2.96Å
127V65.1Low69.4Low99 Ų9997.9 Ų97.960%0.650%0.503SS*.EExtended strand (participates in β ladder)trans-84.2122.6175.8-176.40000108.5R119 Q120 E125 E129R119-V127 WeakPolarHBondContact CA-O 3.43Å; Q120-V127 PolarHBondContact N-O 3.4Å; Q120-V127 PolarHBondContact O-N 3Å; E125-V127 PolarHBondContact O-N 3.28Å; V127-E129 PolarHBondContact O-N 2.72Å
128E67.1Low70.6Confident108 Ų10895.9 Ų95.951%0.50549%0.491SS..EExtended strand (participates in β ladder)trans-81.3110172.5-68.2-168.2160.600109.2I117 R119I117-E128 HydrophobicContact CG2-CB 3.7Å; I117-E128 HydrophobicContact CG2-CG 3.99Å; R119-E128 HydrophobicContact CG-CG 3.77Å; R119-E128 IonicContact CZ-OE1 2.84Å; R119-E128 IonicContact NE-OE1 3.83Å; R119-E128 PolarHBondContact NE-OE1 3.28Å; R119-E128 IonicContact NH2-OE1 2.71Å; R119-E128 PolarHBondContact NH2-OE1 2.98Å
129E70.9Confident71.9Confident94 Ų9493.9 Ų93.944%0.43949%0.486SS..EExtended strand (participates in β ladder)trans-102.2117.6176.6-165.9176-165.500109.4R118 Q120 V127 V131R118-E129 PolarHBondContact N-O 2.94Å; R118-E129 PolarHBondContact O-N 3.42Å; Q120-E129 PolarHBondContact NE2-OE2 2.73Å; V127-E129 PolarHBondContact O-N 2.72Å; E129-V131 HydrophobicContact CG-CG2 4.36Å; E129-V131 PolarHBondContact O-N 2.78Å
130E68.8Low73.6Confident147 Ų14785.7 Ų85.769%0.68746%0.455SS*.EExtended strand (participates in β ladder)trans-77.6110.2173.2-73.3-173.7179.800110.1T115 E116 I117T115-E130 HydrophobicContact CG2-CB 3.86Å; T115-E130 HydrophobicContact CG2-CG 4.14Å; E116-E130 CarbonylContact O-C 3.52Å; E116-E130 WeakPolarHBondContact O-CA 3.34Å; I117-E130 HydrophobicContact CG1-CG 4.27Å
131V73.5Confident75.5Confident39 Ų3979.6 Ų79.624%0.23643%0.427CS..EExtended strand (participates in β ladder)trans-106.2114.3177.1-1780000109.2E116 R118 E129 V133E116-V131 PolarHBondContact N-O 3.36Å; E116-V131 PolarHBondContact O-N 2.81Å; R118-V131 HydrophobicContact CG-CG2 4.23Å; E129-V131 HydrophobicContact CG-CG2 4.36Å; E129-V131 PolarHBondContact O-N 2.78Å; V131-V133 HydrophobicContact CG1-CG2 4.43Å; V131-V133 PolarHBondContact O-N 3.22Å
132V75.9Confident77.2Confident79 Ų7977.1 Ų77.148%0.47940%0.401SS..EExtended strand (participates in β ladder)trans-80.5111.5172.9-177.60000109.4E113 T115 K134E113-V132 HydrophobicContact CB-CG1 4.35Å; T115-V132 HydrophobicContact CG2-CG2 4.33Å; V132-K134 HydrophobicContact CG1-CG 4.4Å
133V79.2Confident79.5Confident22 Ų2267.6 Ų67.613%0.13336%0.356CS..EExtended strand (participates in β ladder)trans-91.4129.3173.3-176.70000108.9H114 E116 V131 V135H114-V133 PolarHBondContact N-O 3.04Å; H114-V133 PolarHBondContact O-N 3.16Å; E116-V133 HydrophobicContact CG-CG2 4.1Å; V131-V133 HydrophobicContact CG1-CG2 4.43Å; V131-V133 PolarHBondContact O-N 3.22Å; V133-V135 HydrophobicContact CG1-CG2 4.33Å
134K85.1Confident81Confident113 Ų11365.3 Ų65.349%0.49133%0.33SS..EExtended strand (participates in β ladder)trans-112.7128.8177-56.2-160.6-174.4-153.90111.2Y112 E113 V132Y112-K134 WeakPolarHBondContact O-CA 3.35Å; E113-K134 HydrophobicContact CG-CD 4.34Å; E113-K134 HydrophobicContact CG-CG 4.25Å; E113-K134 VanDerWaalsContact OE1-CE 3.22Å; E113-K134 WeakPolarHBondContact OE1-CE 3.44Å; E113-K134 IonicContact OE1-NZ 3.13Å; E113-K134 PolarHBondContact OE1-NZ 3.39Å; V132-K134 HydrophobicContact CG1-CG 4.4Å
135V89.1Confident82.8Confident2 Ų256.6 Ų56.61%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-124.4123.1179.3178.50000109.9E95 V96 T99 Y112 V133 K139E95-V135 HydrophobicContact CB-CG2 4.37Å; V96-V135 HydrophobicContact CG2-CG1 3.66Å; T99-V135 HydrophobicContact CG2-CB 4.16Å; T99-V135 HydrophobicContact CG2-CG2 3.92Å; Y112-V135 PolarHBondContact N-O 3.28Å; Y112-V135 PolarHBondContact O-N 3.29Å; V133-V135 HydrophobicContact CG1-CG2 4.33Å; V135-K139 HydrophobicContact CG1-CB 4.29Å
136K92.8Very high84.5Confident98 Ų9851.7 Ų51.743%0.42626%0.26SS..EExtended strand (participates in β ladder)trans-69.8146.2173.3-70.3-172.3176.6-1700111.6H110 E111 E138 K139 R140H110-K136 CarbonylContact O-C 3.59Å; H110-K136 WeakPolarHBondContact O-CA 3.2Å; E111-K136 HydrophobicContact CG-CG 4.05Å; E111-K136 WeakPolarHBondContact OE1-CE 3.4Å; K136-E138 VanDerWaalsContact C-N 3.25Å; K136-E138 PolarHBondContact O-N 3.07Å; K136-K139 WeakPolarHBondContact O-CB 3.36Å; K136-K139 PolarHBondContact O-N 3.47Å; K136-K139 VanDerWaalsContact O-N 3.07Å; K136-R140 PolarHBondContact O-N 3.39Å
137E94.1Very high86.2Confident0 Ų051.9 Ų51.90%026%0.258CS..Hα-helixtrans-61.3-34.3177.3-171.7158.7132.300112.4Y57 F104 V105 G106 D107 H110 Y112 K139 R140 L141Y57-E137 WeakPolarHBondContact CE2-OE1 3.36Å; Y57-E137 PolarHBondContact OH-OE1 2.93Å; F104-E137 HydrophobicContact CD1-CG 3.83Å; F104-E137 HydrophobicContact CE1-CG 4.31Å; V105-E137 WeakPolarHBondContact CB-OE2 3.02Å; V105-E137 PolarHBondContact N-OE1 3.04Å; V105-E137 PolarHBondContact N-OE2 3.36Å; V105-E137 VanDerWaalsContact N-OE2 3.1Å; G106-E137 PolarHBondContact N-OE1 3.01Å; D107-E137 PolarHBondContact N-OE1 3.49Å; D107-E137 VanDerWaalsContact O-CB 3.26Å; D107-E137 WeakPolarHBondContact O-CB 3.48Å; H110-E137 HydrophobicContact CB-CB 4.21Å; H110-E137 IonicContact CD2-OE2 3.33Å; H110-E137 PolarHBondContact O-N 3.2Å; Y112-E137 HydrophobicContact CE2-CB 3.86Å; Y112-E137 HydrophobicContact CE2-CG 4.07Å; Y112-E137 PolarHBondContact OH-OE2 3.33Å; E137-K139 VanDerWaalsContact C-N 3.3Å; E137-K139 PolarHBondContact O-N 3.16Å; E137-R140 CarbonylContact O-C 3.44Å; E137-R140 WeakPolarHBondContact O-CB 3.3Å; E137-R140 PolarHBondContact O-N 3.42Å; E137-L141 WeakPolarHBondContact O-CB 3.07Å; E137-L141 PolarHBondContact O-N 3.31Å
138E94.8Very high87.6Confident58 Ų5847.2 Ų47.227%0.27123%0.23SC..Hα-helixtrans-58-42.1173.4-175.5176.3-121.200112.5Y75 L85 P108 K136 L141 A142Y75-E138 HydrophobicContact CE1-CG 4.29Å; Y75-E138 WeakPolarHBondContact CE1-OE1 3.32Å; Y75-E138 PolarHBondContact OH-OE1 2.86Å; L85-E138 HydrophobicContact CD2-CG 4.19Å; P108-E138 HydrophobicContact CB-CB 4.07Å; P108-E138 PolarHBondContact O-N 3.26Å; K136-E138 VanDerWaalsContact C-N 3.25Å; K136-E138 PolarHBondContact O-N 3.07Å; E138-L141 PolarHBondContact O-N 3.33Å; E138-A142 PolarHBondContact O-N 3.24Å; E138-A142 VanDerWaalsContact O-N 3.08Å
139K93.3Very high88.9Confident88 Ų8842.7 Ų42.738%0.38321%0.209SC..Hα-helixtrans-65.8-48174.7-70.1-174176.6-176.30109.9M92 V135 K136 E137 L141 A142 S143M92-K139 VanDerWaalsContact CE-CA 3.47Å; M92-K139 HydrophobicContact CE-CB 3.66Å; M92-K139 HydrophobicContact CE-CG 4.16Å; M92-K139 WeakPolarHBondContact CE-O 3.41Å; M92-K139 HydrophobicContact CG-CB 4.27Å; M92-K139 HydrophobicContact CG-CD 4.45Å; M92-K139 HydrophobicContact SD-CB 3.9Å; M92-K139 HydrophobicContact SD-CD 4.1Å; M92-K139 HydrophobicContact SD-CG 3.9Å; V135-K139 HydrophobicContact CG1-CB 4.29Å; K136-K139 WeakPolarHBondContact O-CB 3.36Å; K136-K139 PolarHBondContact O-N 3.47Å; K136-K139 VanDerWaalsContact O-N 3.07Å; E137-K139 VanDerWaalsContact C-N 3.3Å; E137-K139 PolarHBondContact O-N 3.16Å; K139-L141 PolarHBondContact O-N 2.73Å; K139-A142 PolarHBondContact O-N 3.08Å; K139-A142 VanDerWaalsContact O-N 3.16Å; K139-S143 PolarHBondContact O-N 2.91Å; K139-S143 PolarHBondContact O-OG 3.18Å
140R94.1Very high89.9Confident6 Ų642.5 Ų42.52%0.02321%0.207CC..Hα-helixtrans-51.3-47.3175.4-178.5-172.1-174.2-162.3-10.8111.7V96 A100 G102 R103 F104 Y112 K136 E137 S143 T144V96-R140 HydrophobicContact CG1-CB 4.2Å; V96-R140 HydrophobicContact CG1-CG 3.84Å; V96-R140 HydrophobicContact CG2-CB 4.38Å; A100-R140 HydrophobicContact CB-CG 4.1Å; G102-R140 PolarHBondContact O-NH2 2.67Å; R103-R140 PolarHBondContact O-NH1 3.05Å; F104-R140 HydrophobicContact CE1-CB 4.31Å; F104-R140 HydrophobicContact CE1-CG 3.77Å; F104-R140 HydrophobicContact CZ-CG 3.9Å; Y112-R140 PolarHBondContact OH-NH1 3.03Å; K136-R140 PolarHBondContact O-N 3.39Å; E137-R140 CarbonylContact O-C 3.44Å; E137-R140 WeakPolarHBondContact O-CB 3.3Å; E137-R140 PolarHBondContact O-N 3.42Å; R140-S143 PolarHBondContact O-N 2.89Å; R140-T144 WeakPolarHBondContact O-CB 3.15Å; R140-T144 PolarHBondContact O-N 3.46Å; R140-T144 PolarHBondContact O-OG1 3.21Å; R140-T144 VanDerWaalsContact O-OG1 3.07Å
141L95.7Very high91Very high0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-60-48.7179.7-177.163.1000111.6I50 Y57 I59 Y75 L85 F104 E137 E138 K139 S143 T144 V145I50-L141 HydrophobicContact CB-CD1 4.34Å; I50-L141 HydrophobicContact CD1-CD1 3.43Å; I50-L141 VanDerWaalsContact CD1-CD1 3.43Å; I50-L141 HydrophobicContact CG1-CD1 4.43Å; I50-L141 HydrophobicContact CG2-CD1 4.44Å; Y57-L141 HydrophobicContact CD1-CD2 3.45Å; Y57-L141 VanDerWaalsContact CD1-CD2 3.45Å; Y57-L141 HydrophobicContact CD2-CD1 4.21Å; Y57-L141 HydrophobicContact CD2-CD2 4.3Å; Y57-L141 HydrophobicContact CE1-CD2 3.78Å; Y57-L141 HydrophobicContact CG-CD1 4.15Å; Y57-L141 HydrophobicContact CG-CD2 3.71Å; I59-L141 HydrophobicContact CD1-CD1 4.23Å; I59-L141 HydrophobicContact CD1-CD2 4.19Å; I59-L141 HydrophobicContact CD1-CG 4.35Å; Y75-L141 HydrophobicContact CG-CD2 4.19Å; L85-L141 HydrophobicContact CD1-CG 4.43Å; L85-L141 HydrophobicContact CD2-CB 4.49Å; L85-L141 HydrophobicContact CD2-CD2 4Å; L85-L141 HydrophobicContact CD2-CG 4.25Å; F104-L141 HydrophobicContact CE1-CB 4.07Å; F104-L141 HydrophobicContact CE1-CD1 4.09Å; F104-L141 HydrophobicContact CZ-CD1 4.4Å; E137-L141 WeakPolarHBondContact O-CB 3.07Å; E137-L141 PolarHBondContact O-N 3.31Å; E138-L141 PolarHBondContact O-N 3.33Å; K139-L141 PolarHBondContact O-N 2.73Å; L141-S143 PolarHBondContact O-N 2.93Å; L141-T144 PolarHBondContact O-N 3.46Å; L141-V145 HydrophobicContact CD1-CG2 4.34Å; L141-V145 WeakPolarHBondContact O-CB 3.28Å; L141-V145 VanDerWaalsContact O-CG2 3.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.47Å; L141-V145 PolarHBondContact O-N 3.06Å
142A95.8Very high91.7Very high6 Ų636.8 Ų36.85%0.0518%0.178CC..Hα-helixtrans-60.1-45.3177.200000112.5L85 P86 M92 E138 K139 H146L85-A142 HydrophobicContact CB-CB 4.1Å; L85-A142 HydrophobicContact CD2-CB 4.26Å; P86-A142 HydrophobicContact CG-CB 4.08Å; P86-A142 WeakPolarHBondContact O-CB 3.48Å; M92-A142 HydrophobicContact CE-CB 3.72Å; E138-A142 PolarHBondContact O-N 3.24Å; E138-A142 VanDerWaalsContact O-N 3.08Å; K139-A142 PolarHBondContact O-N 3.08Å; K139-A142 VanDerWaalsContact O-N 3.16Å; A142-H146 WeakPolarHBondContact O-CB 3.3Å; A142-H146 PolarHBondContact O-N 3.09Å
143S95.1Very high92.5Very high2 Ų233.1 Ų33.11%0.01416%0.156CC..Hα-helixtrans-62-46.9176.2-68.30000111.8M92 K139 R140 L141 H146 T147M92-S143 VanDerWaalsContact CE-OG 3.25Å; M92-S143 WeakPolarHBondContact CE-OG 3.45Å; K139-S143 PolarHBondContact O-N 2.91Å; K139-S143 PolarHBondContact O-OG 3.18Å; R140-S143 PolarHBondContact O-N 2.89Å; L141-S143 PolarHBondContact O-N 2.93Å; S143-H146 PolarHBondContact O-N 2.65Å; S143-T147 PolarHBondContact O-N 3.43Å; S143-T147 PolarHBondContact O-OG1 3.11Å
144T95Very high93.3Very high16 Ų1632 Ų3210%0.09815%0.149CC..Hα-helixtrans-63.3-46.6179.8-63.70000111.8F104 R140 L141 H146 T147 I148F104-T144 HydrophobicContact CE2-CG2 4.33Å; F104-T144 HydrophobicContact CZ-CG2 4.24Å; R140-T144 WeakPolarHBondContact O-CB 3.15Å; R140-T144 PolarHBondContact O-N 3.46Å; R140-T144 PolarHBondContact O-OG1 3.21Å; R140-T144 VanDerWaalsContact O-OG1 3.07Å; L141-T144 PolarHBondContact O-N 3.46Å; T144-H146 VanDerWaalsContact C-N 3.29Å; T144-H146 PolarHBondContact O-N 3.3Å; T144-T147 PolarHBondContact O-N 3.33Å; T144-I148 HydrophobicContact CG2-CD1 3.69Å; T144-I148 HydrophobicContact CG2-CG1 4.37Å; T144-I148 WeakPolarHBondContact O-CB 3.41Å; T144-I148 VanDerWaalsContact O-CG1 3.28Å; T144-I148 WeakPolarHBondContact O-CG1 3.27Å; T144-I148 PolarHBondContact O-N 2.95Å
145V95.8Very high93.9Very high1 Ų127.1 Ų27.11%0.00613%0.128CC..Hα-helixtrans-58.2-44.6175.9169.80000110.2W47 I50 I59 L141 I148 D149W47-V145 HydrophobicContact CD2-CG1 4.39Å; W47-V145 HydrophobicContact CH2-CG2 4.24Å; W47-V145 HydrophobicContact CZ2-CG1 4.23Å; W47-V145 HydrophobicContact CZ3-CG2 4.36Å; I50-V145 HydrophobicContact CD1-CG2 3.65Å; I59-V145 HydrophobicContact CD1-CG2 4.19Å; I59-V145 HydrophobicContact CG1-CG2 4.03Å; I59-V145 HydrophobicContact CG2-CG1 4.06Å; I59-V145 HydrophobicContact CG2-CG2 4.21Å; L141-V145 HydrophobicContact CD1-CG2 4.34Å; L141-V145 WeakPolarHBondContact O-CB 3.28Å; L141-V145 VanDerWaalsContact O-CG2 3.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.47Å; L141-V145 PolarHBondContact O-N 3.06Å; V145-I148 PolarHBondContact O-N 3.04Å; V145-D149 WeakPolarHBondContact O-CB 3.48Å; V145-D149 PolarHBondContact O-N 2.96Å
146H94.6Very high94.2Very high75 Ų7527.2 Ų27.235%0.34713%0.129SC..Hα-helixtrans-62.7-45.1177.6178.784.2000112.6A88 A142 S143 T144 D149 K150A88-H146 HydrophobicContact CB-CB 3.5Å; A88-H146 VanDerWaalsContact CB-CB 3.5Å; A142-H146 WeakPolarHBondContact O-CB 3.3Å; A142-H146 PolarHBondContact O-N 3.09Å; S143-H146 PolarHBondContact O-N 2.65Å; T144-H146 VanDerWaalsContact C-N 3.29Å; T144-H146 PolarHBondContact O-N 3.3Å; H146-D149 PolarHBondContact O-N 3.37Å; H146-K150 VanDerWaalsContact O-CB 3.31Å; H146-K150 WeakPolarHBondContact O-CB 3.49Å; H146-K150 PolarHBondContact O-N 3.02Å
147T94.1Very high94.4Very high36 Ų3626.5 Ų26.522%0.22112%0.124CC..Hα-helixtrans-62.6-45.2178.6-57.90000111.6S143 T144 K150 E151 W245S143-T147 PolarHBondContact O-N 3.43Å; S143-T147 PolarHBondContact O-OG1 3.11Å; T144-T147 PolarHBondContact O-N 3.33Å; T147-K150 PolarHBondContact O-N 3.41Å; T147-E151 WeakPolarHBondContact O-CG 3.45Å; T147-E151 PolarHBondContact O-N 2.86Å; T147-W245 HydrophobicContact CG2-CH2 4.21Å; T147-W245 HydrophobicContact CG2-CZ2 3.9Å
148I95.2Very high94.5Very high1 Ų127 Ų271%0.00513%0.129CC..Hα-helixtrans-63.9-49.2177-66.1171.3000109.6W47 T144 V145 K150 E151 V152 W245 Y263W47-I148 HydrophobicContact CH2-CB 4.27Å; W47-I148 HydrophobicContact CH2-CD1 3.95Å; W47-I148 HydrophobicContact CH2-CG2 3.97Å; W47-I148 HydrophobicContact CZ2-CB 3.74Å; W47-I148 HydrophobicContact CZ2-CD1 4.3Å; W47-I148 HydrophobicContact CZ2-CG2 3.43Å; W47-I148 VanDerWaalsContact CZ2-CG2 3.43Å; T144-I148 HydrophobicContact CG2-CD1 3.69Å; T144-I148 HydrophobicContact CG2-CG1 4.37Å; T144-I148 WeakPolarHBondContact O-CB 3.41Å; T144-I148 VanDerWaalsContact O-CG1 3.28Å; T144-I148 WeakPolarHBondContact O-CG1 3.27Å; T144-I148 PolarHBondContact O-N 2.95Å; V145-I148 PolarHBondContact O-N 3.04Å; I148-K150 PolarHBondContact O-N 3.04Å; I148-E151 PolarHBondContact O-N 3.22Å; I148-V152 HydrophobicContact CB-CG2 4.27Å; I148-V152 HydrophobicContact CG2-CG2 3.27Å; I148-V152 WeakPolarHBondContact O-CG2 3.18Å; I148-V152 PolarHBondContact O-N 3.05Å; I148-W245 HydrophobicContact CD1-CE3 3.82Å; I148-W245 HydrophobicContact CD1-CH2 4.35Å; I148-W245 HydrophobicContact CD1-CZ3 3.67Å; I148-W245 HydrophobicContact CG1-CD2 3.86Å; I148-W245 HydrophobicContact CG1-CE3 3.48Å; I148-W245 VanDerWaalsContact CG1-CE3 3.48Å; I148-W245 HydrophobicContact CG1-CH2 3.59Å; I148-W245 HydrophobicContact CG1-CZ2 4Å; I148-W245 HydrophobicContact CG1-CZ3 3.33Å; I148-Y263 HydrophobicContact CD1-CD1 4.36Å; I148-Y263 HydrophobicContact CD1-CE1 3.97Å; I148-Y263 HydrophobicContact CD1-CE2 4.32Å; I148-Y263 HydrophobicContact CG2-CD2 4.1Å; I148-Y263 HydrophobicContact CG2-CG 4.28Å
149D93.6Very high94.5Very high14 Ų1424.5 Ų24.58%0.07512%0.118CC..Hα-helixtrans-55.1-40.8177.9-166.674.2000112Q61 K71 V145 H146 S153 Y261Q61-D149 PolarHBondContact NE2-OD1 2.8Å; K71-D149 IonicContact NZ-OD2 3.95Å; K71-D149 PolarHBondContact NZ-OD2 2.91Å; V145-D149 WeakPolarHBondContact O-CB 3.48Å; V145-D149 PolarHBondContact O-N 2.96Å; H146-D149 PolarHBondContact O-N 3.37Å; D149-S153 WeakPolarHBondContact O-CB 3.49Å; D149-S153 PolarHBondContact O-N 2.68Å; D149-S153 PolarHBondContact O-OG 2.93Å; D149-S153 PolarHBondContact OD1-OG 3.09Å; D149-S153 VanDerWaalsContact OD1-OG 3.09Å; D149-Y261 PolarHBondContact OD1-OH 3.11Å
150K92.1Very high94.7Very high90 Ų9020.8 Ų20.839%0.39110%0.102SC..Hα-helixtrans-67.3-35.3176.9-174.7176.6-177.31740113.3H146 T147 I148 T192H146-K150 VanDerWaalsContact O-CB 3.31Å; H146-K150 WeakPolarHBondContact O-CB 3.49Å; H146-K150 PolarHBondContact O-N 3.02Å; T147-K150 PolarHBondContact O-N 3.41Å; I148-K150 PolarHBondContact O-N 3.04Å; K150-T192 WeakPolarHBondContact O-CB 3.32Å; K150-T192 WeakPolarHBondContact O-CG2 3.47Å; K150-T192 PolarHBondContact O-OG1 2.88Å
151E91.9Very high94.7Very high62 Ų6223.4 Ų23.429%0.2912%0.116SC..Hα-helixtrans-96.3-22.3-173.4-71.3-168.3-171.500114.7T147 I148 H190 W245 K269T147-E151 WeakPolarHBondContact O-CG 3.45Å; T147-E151 PolarHBondContact O-N 2.86Å; I148-E151 PolarHBondContact O-N 3.22Å; E151-H190 PolarHBondContact O-CE1 2.75Å; E151-H190 PolarHBondContact O-ND1 3.08Å; E151-W245 PolarHBondContact OE2-NE1 2.86Å; E151-K269 IonicContact OE1-NZ 2.7Å; E151-K269 PolarHBondContact OE1-NZ 3.45Å; E151-K269 VanDerWaalsContact OE2-CE 3.24Å; E151-K269 WeakPolarHBondContact OE2-CE 3.28Å; E151-K269 IonicContact OE2-NZ 3.21Å; E151-K269 PolarHBondContact OE2-NZ 2.89Å
152V89.1Confident94.7Very high3 Ų327.2 Ų27.22%0.01813%0.132CC..Hα-helixtrans-138.29.9-169.8-69.30000115.4I148 V154 W227 W245 L248I148-V152 HydrophobicContact CB-CG2 4.27Å; I148-V152 HydrophobicContact CG2-CG2 3.27Å; I148-V152 WeakPolarHBondContact O-CG2 3.18Å; I148-V152 PolarHBondContact O-N 3.05Å; V152-V154 WeakPolarHBondContact O-CG2 3.35Å; V152-V154 PolarHBondContact O-N 2.67Å; V152-W227 HydrophobicContact CB-CH2 4.06Å; V152-W227 HydrophobicContact CG1-CH2 3.89Å; V152-W227 HydrophobicContact CG1-CZ2 4.13Å; V152-W245 HydrophobicContact CG1-CB 4.02Å; V152-W245 HydrophobicContact CG1-CG 3.89Å; V152-W245 HydrophobicContact CG2-CB 4.39Å; V152-W245 HydrophobicContact CG2-CG 4.33Å; V152-L248 HydrophobicContact CB-CD1 3.93Å; V152-L248 HydrophobicContact CB-CD2 3.71Å; V152-L248 HydrophobicContact CB-CG 4.25Å; V152-L248 HydrophobicContact CG1-CD2 4.3Å; V152-L248 HydrophobicContact CG2-CD1 3.65Å; V152-L248 HydrophobicContact CG2-CD2 4.33Å; V152-L248 HydrophobicContact CG2-CG 4.34Å; V152-L248 WeakPolarHBondContact O-CD2 3.39Å
153S93Very high94.5Very high2 Ų228.5 Ų28.51%0.01414%0.141CC..  trans-64.8111.9167.3-68.40000109.8D149 H190 F191 Y261D149-S153 WeakPolarHBondContact O-CB 3.49Å; D149-S153 PolarHBondContact O-N 2.68Å; D149-S153 PolarHBondContact O-OG 2.93Å; D149-S153 PolarHBondContact OD1-OG 3.09Å; D149-S153 VanDerWaalsContact OD1-OG 3.09Å; S153-H190 CarbonylContact O-C 3.57Å; S153-H190 WeakPolarHBondContact O-CA 3.46Å; S153-F191 PolarHBondContact O-N 3.48Å; S153-Y261 PolarHBondContact OG-OH 3.33Å
154V95.4Very high94.2Very high0 Ų034.6 Ų34.60%018%0.181CC..EExtended strand (participates in β ladder)trans-107.4132.9-177.2-179.70000111V152 F188 L218 W227 L248V152-V154 WeakPolarHBondContact O-CG2 3.35Å; V152-V154 PolarHBondContact O-N 2.67Å; V154-F188 HydrophobicContact CG1-CB 3.99Å; V154-F188 HydrophobicContact CG1-CD1 4.14Å; V154-F188 HydrophobicContact CG1-CG 4.48Å; V154-L218 HydrophobicContact CG1-CD1 3.83Å; V154-L218 HydrophobicContact CG2-CD1 3.86Å; V154-L218 HydrophobicContact CG2-CD2 4.33Å; V154-W227 HydrophobicContact CG2-CH2 3.45Å; V154-W227 VanDerWaalsContact CG2-CH2 3.45Å; V154-W227 HydrophobicContact CG2-CZ2 4.27Å; V154-W227 HydrophobicContact CG2-CZ3 3.74Å; V154-L248 HydrophobicContact CG2-CD2 4.38Å
155V96.6Very high93.9Very high9 Ų942.5 Ų42.56%0.05522%0.216CC..EExtended strand (participates in β ladder)trans-133.5146.1172-64.40000111F160 F188 L189 F191 L215V155-F160 HydrophobicContact CB-CD2 4.15Å; V155-F160 HydrophobicContact CB-CE2 4.08Å; V155-F160 HydrophobicContact CG1-CD2 3.99Å; V155-F160 HydrophobicContact CG1-CE2 3.51Å; V155-F160 HydrophobicContact CG1-CZ 4.48Å; V155-F160 HydrophobicContact CG2-CD2 4.33Å; V155-F188 WeakPolarHBondContact O-CA 3.31Å; V155-L189 HydrophobicContact CG2-CB 4.32Å; V155-L189 PolarHBondContact N-O 3.13Å; V155-L189 PolarHBondContact O-N 2.66Å; V155-F191 HydrophobicContact CB-CB 4.49Å; V155-F191 HydrophobicContact CB-CD2 4.49Å; V155-F191 HydrophobicContact CG1-CB 3.73Å; V155-F191 HydrophobicContact CG1-CD2 3.92Å; V155-F191 HydrophobicContact CG1-CG 3.82Å; V155-F191 HydrophobicContact CG2-CB 3.97Å; V155-F191 HydrophobicContact CG2-CD2 3.82Å; V155-F191 HydrophobicContact CG2-CG 4.27Å; V155-L215 HydrophobicContact CG2-CD1 3.92Å
156P97.3Very high93.5Very high4 Ų444 Ų443%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-71.9146.417226-25.4000110.7G158 A159 F174 L177 Y187 F188 H259P156-G158 PolarHBondContact O-N 3.33Å; P156-A159 HydrophobicContact CG-CB 3.94Å; P156-A159 VanDerWaalsContact O-CB 3.28Å; P156-A159 WeakPolarHBondContact O-CB 3.28Å; P156-A159 PolarHBondContact O-N 3.07Å; P156-A159 VanDerWaalsContact O-N 3.09Å; P156-F174 HydrophobicContact CB-CZ 3.95Å; P156-F174 HydrophobicContact CG-CE1 3.93Å; P156-F174 HydrophobicContact CG-CZ 3.81Å; P156-L177 HydrophobicContact CB-CD1 3.63Å; P156-L177 HydrophobicContact CB-CG 3.93Å; P156-Y187 CarbonylContact C-O 3.57Å; P156-Y187 WeakPolarHBondContact CA-O 3.17Å; P156-F188 HydrophobicContact CB-CD1 4.33Å; P156-F188 HydrophobicContact CB-CE1 4.23Å; P156-H259 WeakPolarHBondContact CD-CD2 3.49Å; P156-H259 HydrophobicContact CG-CB 3.82Å
157R96.3Very high93.5Very high84 Ų8442.4 Ų42.432%0.31723%0.225SC..THydrogen-bonded Turntrans-55.5127.6177.9179.7-179.6-177.9-108.4-2.6110F174 Y187 L189 I212 D213R157-F174 VanDerWaalsContact O-CE2 3.3Å; R157-F174 WeakPolarHBondContact O-CE2 3.35Å; R157-Y187 HydrophobicContact CB-CD1 4.31Å; R157-Y187 WeakPolarHBondContact CB-O 3.5Å; R157-Y187 PolarHBondContact N-O 3.1Å; R157-L189 HydrophobicContact CB-CD1 4.12Å; R157-L189 HydrophobicContact CB-CG 4.37Å; R157-L189 HydrophobicContact CG-CD1 4.26Å; R157-I212 HydrophobicContact CG-CG2 4.1Å; R157-D213 IonicContact CZ-OD1 3.68Å; R157-D213 VanDerWaalsContact CZ-OD1 3.24Å; R157-D213 IonicContact CZ-OD2 3.07Å; R157-D213 IonicContact NE-OD1 3.35Å; R157-D213 PolarHBondContact NE-OD1 3.25Å; R157-D213 VanDerWaalsContact NH2-CG 3.3Å; R157-D213 IonicContact NH2-OD1 2.97Å; R157-D213 PolarHBondContact NH2-OD1 2.87Å; R157-D213 IonicContact NH2-OD2 2.84Å; R157-D213 PolarHBondContact NH2-OD2 2.89Å
158G95.5Very high93.5Very high10 Ų1040.8 Ų40.810%0.10322%0.216CC..THydrogen-bonded Turntrans87.5-4.9-179.700000115.5P156 F160 N171 F174P156-G158 PolarHBondContact O-N 3.33Å; G158-F160 PolarHBondContact O-N 3.19Å; G158-N171 WeakPolarHBondContact O-CB 3.5Å; G158-N171 PolarHBondContact O-ND2 3.04Å; G158-F174 WeakPolarHBondContact O-CB 3.42Å; G158-F174 WeakPolarHBondContact O-CD2 3.33Å
159A96.1Very high93.5Very high5 Ų545.2 Ų45.24%0.04124%0.236CC..SBendtrans-65.7-26.6174.100000113.7P156 N171 F174P156-A159 HydrophobicContact CG-CB 3.94Å; P156-A159 VanDerWaalsContact O-CB 3.28Å; P156-A159 WeakPolarHBondContact O-CB 3.28Å; P156-A159 PolarHBondContact O-N 3.07Å; P156-A159 VanDerWaalsContact O-N 3.09Å; A159-N171 WeakPolarHBondContact O-CB 3.08Å; A159-N171 PolarHBondContact O-N 3.13Å; A159-F174 HydrophobicContact CB-CD1 4.01Å; A159-F174 HydrophobicContact CB-CE1 3.97Å; A159-F174 HydrophobicContact CB-CG 4.47Å; A159-F174 HydrophobicContact CB-CZ 4.4Å
160F96.1Very high93.5Very high10 Ų1047.3 Ų47.34%0.04425%0.249CC..EExtended strand (participates in β ladder)trans-125.2151.6176.7-65.8-94.3000109.7E67 V155 G158 V168 Q169 T170 F191 F214 H259E67-F160 HydrophobicContact CB-CD1 4.17Å; E67-F160 HydrophobicContact CB-CE1 3.9Å; E67-F160 HydrophobicContact CG-CD1 4.2Å; E67-F160 HydrophobicContact CG-CE1 3.83Å; V155-F160 HydrophobicContact CB-CD2 4.15Å; V155-F160 HydrophobicContact CB-CE2 4.08Å; V155-F160 HydrophobicContact CG1-CD2 3.99Å; V155-F160 HydrophobicContact CG1-CE2 3.51Å; V155-F160 HydrophobicContact CG1-CZ 4.48Å; V155-F160 HydrophobicContact CG2-CD2 4.33Å; G158-F160 PolarHBondContact O-N 3.19Å; F160-V168 HydrophobicContact CB-CG1 4.13Å; F160-V168 HydrophobicContact CD1-CG1 4.33Å; F160-Q169 CarbonylContact C-O 3.57Å; F160-Q169 WeakPolarHBondContact CA-O 3.46Å; F160-T170 HydrophobicContact CD1-CG2 4.13Å; F160-T170 HydrophobicContact CE1-CG2 3.6Å; F160-T170 HydrophobicContact CZ-CG2 4.22Å; F160-F191 HydrophobicContact CB-CE2 3.95Å; F160-F191 AromaticContact CD1-CE2 3.67Å; F160-F191 HydrophobicContact CD1-CE2 3.67Å; F160-F191 AromaticContact CD1-CZ 3.65Å; F160-F191 HydrophobicContact CD1-CZ 3.65Å; F160-F191 HydrophobicContact CD2-CD2 4.04Å; F160-F191 AromaticContact CD2-CE2 3.6Å; F160-F191 HydrophobicContact CD2-CE2 3.6Å; F160-F191 HydrophobicContact CD2-CZ 4.22Å; F160-F191 HydrophobicContact CE1-CE1 4.38Å; F160-F191 HydrophobicContact CE1-CE2 4.01Å; F160-F191 AromaticContact CE1-CZ 3.64Å; F160-F191 HydrophobicContact CE1-CZ 3.64Å; F160-F191 HydrophobicContact CE2-CD2 4.31Å; F160-F191 AromaticContact CE2-CE2 3.98Å; F160-F191 HydrophobicContact CE2-CE2 3.98Å; F160-F191 HydrophobicContact CE2-CZ 4.24Å; F160-F191 HydrophobicContact CG-CD2 4.3Å; F160-F191 AromaticContact CG-CE2 3.45Å; F160-F191 HydrophobicContact CG-CE2 3.45Å; F160-F191 VanDerWaalsContact CG-CE2 3.45Å; F160-F191 AromaticContact CG-CZ 3.94Å; F160-F191 HydrophobicContact CG-CZ 3.94Å; F160-F191 HydrophobicContact CZ-CE1 4.4Å; F160-F191 HydrophobicContact CZ-CE2 4.15Å; F160-F191 AromaticContact CZ-CZ 3.94Å; F160-F191 HydrophobicContact CZ-CZ 3.94Å; F160-F214 HydrophobicContact CB-CZ 4.14Å; F160-H259 AromaticContact CE2-NE2 3.86Å
161I95.5Very high93.6Very high62 Ų6244.6 Ų44.632%0.31824%0.239SC..EExtended strand (participates in β ladder)trans-126.4137.6176.8-166170.7000109.5Q169 N171 S211I161-Q169 PolarHBondContact N-O 3.18Å; I161-Q169 PolarHBondContact O-N 3.21Å; I161-N171 HydrophobicContact CB-CB 4.34Å; I161-N171 HydrophobicContact CG2-CB 4.45Å; I161-S211 CarbonylContact C-O 3.56Å; I161-S211 WeakPolarHBondContact CA-O 3.36Å; I161-S211 WeakPolarHBondContact CG1-O 3.41Å
162K94.8Very high93.7Very high79 Ų7953.2 Ų53.234%0.34327%0.269SS..EExtended strand (participates in β ladder)trans-96.9120.6173.5-172.2171.5-175.8172.90109.8V168 S211 F214K162-V168 HydrophobicContact CB-CG2 4.42Å; K162-V168 HydrophobicContact CG-CG2 4.23Å; K162-S211 PolarHBondContact N-O 3.15Å; K162-F214 HydrophobicContact CB-CB 4.35Å; K162-F214 HydrophobicContact CB-CD1 3.64Å; K162-F214 HydrophobicContact CB-CD2 4.1Å; K162-F214 HydrophobicContact CB-CE1 3.89Å; K162-F214 HydrophobicContact CB-CE2 4.31Å; K162-F214 HydrophobicContact CB-CG 3.76Å; K162-F214 HydrophobicContact CB-CZ 4.22Å; K162-F214 HydrophobicContact CD-CB 4Å; K162-F214 HydrophobicContact CD-CD2 3.93Å; K162-F214 HydrophobicContact CD-CG 3.96Å
163S91.8Very high93.9Very high33 Ų3357.9 Ų57.923%0.23130%0.302CS..  trans-70.6160.317570.80000111.5H165 G166 L167S163-H165 PolarHBondContact O-N 3.28Å; S163-H165 VanDerWaalsContact O-N 3.14Å; S163-G166 PolarHBondContact O-N 3.19Å; S163-L167 WeakPolarHBondContact CB-O 3.46Å; S163-L167 PolarHBondContact N-O 2.78Å; S163-L167 WeakPolarHBondContact OG-CB 3.45Å; S163-L167 PolarHBondContact OG-N 3.13Å; S163-L167 VanDerWaalsContact OG-N 3.09Å; S163-L167 PolarHBondContact OG-O 2.8Å
164P89.2Confident94Very high131 Ų13159 Ų5985%0.85131%0.307SS*.THydrogen-bonded Turntrans-58.3-24.9173.6-2535.1000113.9G166P164-G166 PolarHBondContact O-N 3.5Å
165H87.8Confident94Very high182 Ų18266.3 Ų66.384%0.84334%0.341SS*.THydrogen-bonded Turntrans-81.60.2176.2-61.2-59.3000113.4S163 L167S163-H165 PolarHBondContact O-N 3.28Å; S163-H165 VanDerWaalsContact O-N 3.14Å; H165-L167 VanDerWaalsContact C-N 3.33Å
166G88Confident94Very high32 Ų3266.8 Ų66.833%0.3335%0.347SS..SBendtrans91-13.8179.100000114.8S163 P164 V168S163-G166 PolarHBondContact O-N 3.19Å; P164-G166 PolarHBondContact O-N 3.5Å; G166-V168 PolarHBondContact O-N 3.37Å
167L93.1Very high94Very high41 Ų4166.9 Ų66.922%0.21535%0.348CS..  trans-64.1128.9178.4-175.774.2000111E65 D66 S163 H165 Q169E65-L167 HydrophobicContact CG-CD1 4.05Å; E65-L167 HydrophobicContact CG-CD2 4.43Å; D66-L167 HydrophobicContact CB-CD1 3.67Å; D66-L167 WeakPolarHBondContact OD2-CA 3.4Å; D66-L167 WeakPolarHBondContact OD2-CD1 3.48Å; S163-L167 WeakPolarHBondContact CB-O 3.46Å; S163-L167 PolarHBondContact N-O 2.78Å; S163-L167 WeakPolarHBondContact OG-CB 3.45Å; S163-L167 PolarHBondContact OG-N 3.13Å; S163-L167 VanDerWaalsContact OG-N 3.09Å; S163-L167 PolarHBondContact OG-O 2.8Å; H165-L167 VanDerWaalsContact C-N 3.33Å; L167-Q169 HydrophobicContact CD2-CG 3.96Å; L167-Q169 HydrophobicContact CG-CG 4.02Å
168V95.3Very high94Very high3 Ų364.6 Ų64.62%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-100.7125.1177.7-179.10000110.5D66 E67 M68 F160 K162 G166 F191 F214D66-V168 PolarHBondContact OD2-N 2.77Å; E67-V168 PolarHBondContact N-O 3.08Å; E67-V168 VanDerWaalsContact N-O 3.08Å; M68-V168 HydrophobicContact CB-CB 4.33Å; M68-V168 HydrophobicContact CB-CG2 4.41Å; M68-V168 HydrophobicContact SD-CG2 4.09Å; F160-V168 HydrophobicContact CB-CG1 4.13Å; F160-V168 HydrophobicContact CD1-CG1 4.33Å; K162-V168 HydrophobicContact CB-CG2 4.42Å; K162-V168 HydrophobicContact CG-CG2 4.23Å; G166-V168 PolarHBondContact O-N 3.37Å; V168-F191 HydrophobicContact CG1-CE2 4.07Å; V168-F191 HydrophobicContact CG1-CZ 4.15Å; V168-F214 HydrophobicContact CG1-CE2 4.05Å; V168-F214 HydrophobicContact CG1-CZ 3.78Å; V168-F214 HydrophobicContact CG2-CE2 3.85Å; V168-F214 HydrophobicContact CG2-CZ 4.26Å
169Q94.4Very high93.8Very high93 Ų9367.4 Ų67.444%0.43536%0.362SS..EExtended strand (participates in β ladder)trans-132.9159.3-178-62.6-174.3-42.600111.6F160 I161 L167 N171F160-Q169 CarbonylContact C-O 3.57Å; F160-Q169 WeakPolarHBondContact CA-O 3.46Å; I161-Q169 PolarHBondContact N-O 3.18Å; I161-Q169 PolarHBondContact O-N 3.21Å; L167-Q169 HydrophobicContact CD2-CG 3.96Å; L167-Q169 HydrophobicContact CG-CG 4.02Å; Q169-N171 PolarHBondContact O-N 2.79Å
170T94.1Very high93.8Very high58 Ų5874 Ų7436%0.35640%0.396SS..EExtended strand (participates in β ladder)trans-61.8131171.447.90000110.7E67 F160 R172E67-T170 HydrophobicContact CG-CG2 4.47Å; F160-T170 HydrophobicContact CD1-CG2 4.13Å; F160-T170 HydrophobicContact CE1-CG2 3.6Å; F160-T170 HydrophobicContact CZ-CG2 4.22Å; T170-R172 PolarHBondContact O-N 3.39Å
171N95.1Very high93.8Very high34 Ų3476.4 Ų76.418%0.18241%0.408CS..  trans-81.2105.7177.6-178.37.7000109.8G158 A159 I161 Q169 S173 F174G158-N171 WeakPolarHBondContact O-CB 3.5Å; G158-N171 PolarHBondContact O-ND2 3.04Å; A159-N171 WeakPolarHBondContact O-CB 3.08Å; A159-N171 PolarHBondContact O-N 3.13Å; I161-N171 HydrophobicContact CB-CB 4.34Å; I161-N171 HydrophobicContact CG2-CB 4.45Å; Q169-N171 PolarHBondContact O-N 2.79Å; N171-S173 PolarHBondContact O-N 3.42Å; N171-S173 PolarHBondContact OD1-N 3.38Å; N171-F174 HydrophobicContact CB-CB 4.17Å; N171-F174 WeakPolarHBondContact O-CB 3.25Å; N171-F174 PolarHBondContact O-N 3.24Å; N171-F174 VanDerWaalsContact O-N 3.16Å
172R92.5Very high93.8Very high242 Ų24273.4 Ų73.491%0.91339%0.392SS*.THydrogen-bonded Turntrans-67.2-18.5179.8-62.6-176.7-177-176.81.5113.8T170 F174T170-R172 PolarHBondContact O-N 3.39Å; R172-F174 VanDerWaalsContact C-N 3.34Å
173S94.1Very high93.8Very high102 Ų10271.3 Ų71.371%0.71339%0.393SS*.THydrogen-bonded Turntrans-91.83.8177.9-53.20000112.8N171 E175N171-S173 PolarHBondContact O-N 3.42Å; N171-S173 PolarHBondContact OD1-N 3.38Å; S173-E175 PolarHBondContact O-N 3.07Å
174F95.6Very high94Very high24 Ų2475.3 Ų75.311%0.10541%0.406CS..  trans-75.2111.4177.4-178.9-117.3000110.3P156 R157 G158 A159 N171 R172 G176 L177 P257P156-F174 HydrophobicContact CB-CZ 3.95Å; P156-F174 HydrophobicContact CG-CE1 3.93Å; P156-F174 HydrophobicContact CG-CZ 3.81Å; R157-F174 VanDerWaalsContact O-CE2 3.3Å; R157-F174 WeakPolarHBondContact O-CE2 3.35Å; G158-F174 WeakPolarHBondContact O-CB 3.42Å; G158-F174 WeakPolarHBondContact O-CD2 3.33Å; A159-F174 HydrophobicContact CB-CD1 4.01Å; A159-F174 HydrophobicContact CB-CE1 3.97Å; A159-F174 HydrophobicContact CB-CG 4.47Å; A159-F174 HydrophobicContact CB-CZ 4.4Å; N171-F174 HydrophobicContact CB-CB 4.17Å; N171-F174 WeakPolarHBondContact O-CB 3.25Å; N171-F174 PolarHBondContact O-N 3.24Å; N171-F174 VanDerWaalsContact O-N 3.16Å; R172-F174 VanDerWaalsContact C-N 3.34Å; F174-G176 VanDerWaalsContact CZ-CA 3.44Å; F174-L177 HydrophobicContact CE2-CD2 4.36Å; F174-L177 HydrophobicContact CZ-CG 4.35Å; F174-P257 HydrophobicContact CD1-CB 4.11Å; F174-P257 WeakPolarHBondContact O-CB 3.41Å
175E95.2Very high94.4Very high155 Ų15571.1 Ų71.172%0.72438%0.377SS*.  trans-92.3-4177.7-64.2-174.416900112.8S173 M255 T256S173-E175 PolarHBondContact O-N 3.07Å; E175-M255 CarbonylContact O-C 3Å; E175-T256 CarbonylContact O-C 3.17Å; E175-T256 WeakPolarHBondContact O-CA 3.25Å; E175-T256 PolarHBondContact O-N 3.19Å
176G95.8Very high94.7Very high18 Ų1864.9 Ų64.919%0.18635%0.354CS..  trans105.6156.4-176.100000113.6F174 T256F174-G176 VanDerWaalsContact CZ-CA 3.44Å; G176-T256 WeakPolarHBondContact CA-O 3.35Å
177L96.9Very high95.1Very high7 Ų765.9 Ų65.94%0.03735%0.348CS..  trans-69.2142.8170.1-57.5177.4000110.6P156 F174 E181 A182 Y187 F188 H252 P254 M255P156-L177 HydrophobicContact CB-CD1 3.63Å; P156-L177 HydrophobicContact CB-CG 3.93Å; F174-L177 HydrophobicContact CE2-CD2 4.36Å; F174-L177 HydrophobicContact CZ-CG 4.35Å; L177-E181 HydrophobicContact CB-CB 4.1Å; L177-E181 HydrophobicContact CD2-CB 4.45Å; L177-A182 HydrophobicContact CB-CB 4.19Å; L177-Y187 HydrophobicContact CD2-CD1 3.91Å; L177-F188 HydrophobicContact CD1-CE1 4.14Å; L177-F188 HydrophobicContact CD1-CE2 4.27Å; L177-F188 HydrophobicContact CD1-CZ 3.9Å; L177-H252 PolarHBondContact N-NE2 3.26Å; L177-P254 CarbonylContact O-C 3.56Å; L177-P254 VanDerWaalsContact O-CA 3.31Å; L177-P254 WeakPolarHBondContact O-CA 3.46Å; L177-M255 PolarHBondContact O-N 3.12Å
178S96.3Very high95.3Very high36 Ų3664 Ų6425%0.25234%0.338SS..  trans-64.7161.9167.267.50000111.2L180 E181 A182S178-L180 PolarHBondContact O-N 3.06Å; S178-E181 VanDerWaalsContact CB-OE2 3.28Å; S178-E181 WeakPolarHBondContact CB-OE2 3.42Å; S178-E181 PolarHBondContact N-OE2 2.72Å; S178-E181 PolarHBondContact O-N 2.78Å; S178-E181 VanDerWaalsContact O-N 3.13Å; S178-E181 VanDerWaalsContact OG-CD 3.22Å; S178-E181 WeakPolarHBondContact OG-CG 3.49Å; S178-E181 PolarHBondContact OG-N 2.77Å; S178-E181 PolarHBondContact OG-OE2 3.08Å; S178-A182 VanDerWaalsContact O-CB 3.31Å; S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 3.04Å
179S92.9Very high95.4Very high68 Ų6864.3 Ų64.348%0.47634%0.339SS..Hα-helixtrans-59.8-31.4179.9-50.60000113.3G183S179-G183 PolarHBondContact O-N 2.96Å
180L94.8Very high95.4Very high143 Ų14360.5 Ų60.575%0.74932%0.322SS*.Hα-helixtrans-73.7-38.1177-67.2175.2000112.3S178S178-L180 PolarHBondContact O-N 3.06Å
181E96Very high95.5Very high61 Ų6158.5 Ų58.529%0.28531%0.308SS..Hα-helixtrans-72-43.4176.6-68.5166.9135.900110.9L177 S178 G183 K184 Y187L177-E181 HydrophobicContact CB-CB 4.1Å; L177-E181 HydrophobicContact CD2-CB 4.45Å; S178-E181 VanDerWaalsContact CB-OE2 3.28Å; S178-E181 WeakPolarHBondContact CB-OE2 3.42Å; S178-E181 PolarHBondContact N-OE2 2.72Å; S178-E181 PolarHBondContact O-N 2.78Å; S178-E181 VanDerWaalsContact O-N 3.13Å; S178-E181 VanDerWaalsContact OG-CD 3.22Å; S178-E181 WeakPolarHBondContact OG-CG 3.49Å; S178-E181 PolarHBondContact OG-N 2.77Å; S178-E181 PolarHBondContact OG-OE2 3.08Å; E181-G183 PolarHBondContact O-N 2.71Å; E181-G183 VanDerWaalsContact O-N 3.13Å; E181-K184 PolarHBondContact O-N 2.84Å; E181-Y187 HydrophobicContact CB-CD1 3.81Å; E181-Y187 HydrophobicContact CB-CD2 4.18Å; E181-Y187 HydrophobicContact CB-CE1 3.92Å; E181-Y187 HydrophobicContact CB-CE2 4.31Å; E181-Y187 HydrophobicContact CB-CG 3.94Å; E181-Y187 HydrophobicContact CG-CD1 4.04Å; E181-Y187 HydrophobicContact CG-CE1 3.59Å; E181-Y187 HydrophobicContact CG-CE2 4.18Å; E181-Y187 HydrophobicContact CG-CG 4.48Å; E181-Y187 WeakPolarHBondContact OE1-CE1 3.41Å
182A95.9Very high95.3Very high0 Ų058.3 Ų58.30%031%0.308CS..Hα-helixtrans-61.5-20.3176.700000113L177 S178 K184 F188 F231 C238 P254L177-A182 HydrophobicContact CB-CB 4.19Å; S178-A182 VanDerWaalsContact O-CB 3.31Å; S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 3.04Å; A182-K184 VanDerWaalsContact C-N 3.27Å; A182-K184 PolarHBondContact O-N 3.25Å; A182-F188 WeakPolarHBondContact O-CE2 3.38Å; A182-F231 HydrophobicContact CB-CZ 4.28Å; A182-C238 HydrophobicContact CB-CB 4.29Å; A182-C238 PolarHBondContact O-SG 3.02Å; A182-P254 HydrophobicContact CB-CB 4.46Å; A182-P254 HydrophobicContact CB-CG 4.02Å
183G95.4Very high95.2Very high35 Ų3552.5 Ų52.536%0.36129%0.291SS..THydrogen-bonded Turntrans-78.8-3.5173.500000114.8S179 E181S179-G183 PolarHBondContact O-N 2.96Å; E181-G183 PolarHBondContact O-N 2.71Å; E181-G183 VanDerWaalsContact O-N 3.13Å
184K96.6Very high94.9Very high116 Ų11648.7 Ų48.750%0.50426%0.264SS..  trans-117.9123.9-174.5-65.2175.9-176.3178.30110.7E181 A182 S186 Y187 F188E181-K184 PolarHBondContact O-N 2.84Å; A182-K184 VanDerWaalsContact C-N 3.27Å; A182-K184 PolarHBondContact O-N 3.25Å; K184-S186 PolarHBondContact O-N 3.05Å; K184-S186 VanDerWaalsContact O-N 3.07Å; K184-Y187 HydrophobicContact CB-CD2 3.91Å; K184-Y187 HydrophobicContact CB-CE2 4.46Å; K184-Y187 HydrophobicContact CD-CD2 4.39Å; K184-Y187 HydrophobicContact CD-CE2 4.12Å; K184-Y187 PolarHBondContact O-N 3.25Å; K184-F188 WeakPolarHBondContact O-CD2 3.43Å
185L96Very high94.5Very high44 Ų4452.9 Ų52.923%0.2328%0.284CS..G310 helixtrans-59-21.9176.7-76.4172.4000113.9Y187 F188 L218 W227 L229 I240L185-Y187 PolarHBondContact O-N 3.27Å; L185-F188 PolarHBondContact O-N 3.16Å; L185-F188 VanDerWaalsContact O-N 3.15Å; L185-L218 HydrophobicContact CD2-CB 4.48Å; L185-L218 HydrophobicContact CD2-CD1 4.42Å; L185-W227 HydrophobicContact CD1-CB 3.98Å; L185-W227 HydrophobicContact CD2-CB 3.96Å; L185-L229 HydrophobicContact CD2-CB 4.09Å; L185-L229 HydrophobicContact CD2-CD1 3.89Å; L185-L229 HydrophobicContact CG-CB 4.31Å; L185-L229 HydrophobicContact CG-CD1 4.01Å; L185-I240 HydrophobicContact CD2-CG2 4.41Å
186S95.3Very high93.9Very high51 Ų5148.1 Ų48.136%0.35726%0.261SS..G310 helixtrans-66.3-18.4176.462.30000113.8K184 F188 S219K184-S186 PolarHBondContact O-N 3.05Å; K184-S186 VanDerWaalsContact O-N 3.07Å; S186-F188 VanDerWaalsContact C-N 3.33Å; S186-S219 WeakPolarHBondContact CA-OG 3.48Å
187Y96.6Very high93.3Very high52 Ų5248.3 Ų48.320%0.20426%0.257CS..G310 helixtrans-92.44.8176.5-75.3-97.9000112.9P156 R157 L177 E181 K184 L185P156-Y187 CarbonylContact C-O 3.57Å; P156-Y187 WeakPolarHBondContact CA-O 3.17Å; R157-Y187 HydrophobicContact CB-CD1 4.31Å; R157-Y187 WeakPolarHBondContact CB-O 3.5Å; R157-Y187 PolarHBondContact N-O 3.1Å; L177-Y187 HydrophobicContact CD2-CD1 3.91Å; E181-Y187 HydrophobicContact CB-CD1 3.81Å; E181-Y187 HydrophobicContact CB-CD2 4.18Å; E181-Y187 HydrophobicContact CB-CE1 3.92Å; E181-Y187 HydrophobicContact CB-CE2 4.31Å; E181-Y187 HydrophobicContact CB-CG 3.94Å; E181-Y187 HydrophobicContact CG-CD1 4.04Å; E181-Y187 HydrophobicContact CG-CE1 3.59Å; E181-Y187 HydrophobicContact CG-CE2 4.18Å; E181-Y187 HydrophobicContact CG-CG 4.48Å; E181-Y187 WeakPolarHBondContact OE1-CE1 3.41Å; K184-Y187 HydrophobicContact CB-CD2 3.91Å; K184-Y187 HydrophobicContact CB-CE2 4.46Å; K184-Y187 HydrophobicContact CD-CD2 4.39Å; K184-Y187 HydrophobicContact CD-CE2 4.12Å; K184-Y187 PolarHBondContact O-N 3.25Å; L185-Y187 PolarHBondContact O-N 3.27Å
188F97.1Very high92.6Very high2 Ų255.2 Ų55.21%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-114.7132.4172.6-62.6-86.6000108.3V154 V155 P156 L177 A182 K184 L185 S186 P217 L218 L229 I240 H252V154-F188 HydrophobicContact CG1-CB 3.99Å; V154-F188 HydrophobicContact CG1-CD1 4.14Å; V154-F188 HydrophobicContact CG1-CG 4.48Å; V155-F188 WeakPolarHBondContact O-CA 3.31Å; P156-F188 HydrophobicContact CB-CD1 4.33Å; P156-F188 HydrophobicContact CB-CE1 4.23Å; L177-F188 HydrophobicContact CD1-CE1 4.14Å; L177-F188 HydrophobicContact CD1-CE2 4.27Å; L177-F188 HydrophobicContact CD1-CZ 3.9Å; A182-F188 WeakPolarHBondContact O-CE2 3.38Å; K184-F188 WeakPolarHBondContact O-CD2 3.43Å; L185-F188 PolarHBondContact O-N 3.16Å; L185-F188 VanDerWaalsContact O-N 3.15Å; S186-F188 VanDerWaalsContact C-N 3.33Å; F188-P217 WeakPolarHBondContact O-CA 2.95Å; F188-L218 HydrophobicContact CB-CD1 3.73Å; F188-L218 HydrophobicContact CB-CG 4.02Å; F188-L218 WeakPolarHBondContact O-CG 3.3Å; F188-L218 PolarHBondContact O-N 2.9Å; F188-L229 HydrophobicContact CD2-CD1 4.37Å; F188-L229 HydrophobicContact CE2-CD1 4.03Å; F188-I240 HydrophobicContact CB-CD1 3.96Å; F188-I240 HydrophobicContact CD1-CD1 3.27Å; F188-I240 HydrophobicContact CD2-CD1 3.41Å; F188-I240 VanDerWaalsContact CD2-CD1 3.41Å; F188-I240 HydrophobicContact CE1-CD1 3.45Å; F188-I240 VanDerWaalsContact CE1-CD1 3.45Å; F188-I240 HydrophobicContact CE2-CD1 3.6Å; F188-I240 HydrophobicContact CG-CD1 3.23Å; F188-I240 HydrophobicContact CZ-CD1 3.61Å; F188-H252 HydrophobicContact CE1-CB 3.88Å; F188-H252 HydrophobicContact CZ-CB 4.3Å
189L96.3Very high92Very high9 Ų961.9 Ų61.95%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-123.1149.5-170.3-49.1177.2000109.8V155 R157 L215 D216 P217V155-L189 HydrophobicContact CG2-CB 4.32Å; V155-L189 PolarHBondContact N-O 3.13Å; V155-L189 PolarHBondContact O-N 2.66Å; R157-L189 HydrophobicContact CB-CD1 4.12Å; R157-L189 HydrophobicContact CB-CG 4.37Å; R157-L189 HydrophobicContact CG-CD1 4.26Å; L189-L215 HydrophobicContact CB-CB 3.78Å; L189-L215 HydrophobicContact CB-CD1 4.18Å; L189-L215 HydrophobicContact CD1-CB 3.98Å; L189-L215 HydrophobicContact CD1-CD1 4.42Å; L189-L215 HydrophobicContact CG-CB 4.42Å; L189-D216 CarbonylContact C-O 3.59Å; L189-D216 WeakPolarHBondContact CA-O 3.49Å; L189-P217 HydrophobicContact CD2-CB 3.74Å
190H95.6Very high91.7Very high14 Ų1461 Ų617%0.06530%0.299CS..EExtended strand (participates in β ladder)trans-71.9124168.8-72.9-71.7000110.1E151 S153 T192 L215 D216 L218 D221 W227E151-H190 PolarHBondContact O-CE1 2.75Å; E151-H190 PolarHBondContact O-ND1 3.08Å; S153-H190 CarbonylContact O-C 3.57Å; S153-H190 WeakPolarHBondContact O-CA 3.46Å; H190-T192 HydrophobicContact CB-CG2 3.87Å; H190-T192 PolarHBondContact O-N 3.42Å; H190-L215 WeakPolarHBondContact O-CB 3.28Å; H190-L215 WeakPolarHBondContact O-CD2 3.34Å; H190-D216 PolarHBondContact N-O 2.83Å; H190-L218 WeakPolarHBondContact CE1-CD2 3.5Å; H190-L218 VanDerWaalsContact NE2-CD2 3.31Å; H190-L218 WeakPolarHBondContact NE2-CD2 3.47Å; H190-D221 IonicContact CD2-OD1 2.68Å; H190-D221 IonicContact CD2-OD2 3.82Å; H190-D221 IonicContact CE1-OD2 2.78Å; H190-D221 PolarHBondContact CE1-OD2 3.27Å; H190-D221 VanDerWaalsContact CE1-OD2 3.29Å; H190-D221 VanDerWaalsContact NE2-CG 3.29Å; H190-D221 IonicContact NE2-OD1 3.86Å; H190-D221 PolarHBondContact NE2-OD1 3.25Å; H190-D221 VanDerWaalsContact NE2-OD1 3.14Å; H190-D221 IonicContact NE2-OD2 3.14Å; H190-D221 PolarHBondContact NE2-OD2 3.09Å; H190-W227 AromaticContact CE1-CZ2 3.85Å
191F94.7Very high91.4Very high16 Ų1656.8 Ų56.87%0.0728%0.282CS..SBendtrans-84.659.2176.5-161.9-115.8000111.4E67 S153 V155 F160 V168 L215E67-F191 HydrophobicContact CB-CE1 4.24Å; E67-F191 HydrophobicContact CB-CZ 3.77Å; E67-F191 WeakPolarHBondContact O-CE1 3.24Å; S153-F191 PolarHBondContact O-N 3.48Å; V155-F191 HydrophobicContact CB-CB 4.49Å; V155-F191 HydrophobicContact CB-CD2 4.49Å; V155-F191 HydrophobicContact CG1-CB 3.73Å; V155-F191 HydrophobicContact CG1-CD2 3.92Å; V155-F191 HydrophobicContact CG1-CG 3.82Å; V155-F191 HydrophobicContact CG2-CB 3.97Å; V155-F191 HydrophobicContact CG2-CD2 3.82Å; V155-F191 HydrophobicContact CG2-CG 4.27Å; F160-F191 HydrophobicContact CB-CE2 3.95Å; F160-F191 AromaticContact CD1-CE2 3.67Å; F160-F191 HydrophobicContact CD1-CE2 3.67Å; F160-F191 AromaticContact CD1-CZ 3.65Å; F160-F191 HydrophobicContact CD1-CZ 3.65Å; F160-F191 HydrophobicContact CD2-CD2 4.04Å; F160-F191 AromaticContact CD2-CE2 3.6Å; F160-F191 HydrophobicContact CD2-CE2 3.6Å; F160-F191 HydrophobicContact CD2-CZ 4.22Å; F160-F191 HydrophobicContact CE1-CE1 4.38Å; F160-F191 HydrophobicContact CE1-CE2 4.01Å; F160-F191 AromaticContact CE1-CZ 3.64Å; F160-F191 HydrophobicContact CE1-CZ 3.64Å; F160-F191 HydrophobicContact CE2-CD2 4.31Å; F160-F191 AromaticContact CE2-CE2 3.98Å; F160-F191 HydrophobicContact CE2-CE2 3.98Å; F160-F191 HydrophobicContact CE2-CZ 4.24Å; F160-F191 HydrophobicContact CG-CD2 4.3Å; F160-F191 AromaticContact CG-CE2 3.45Å; F160-F191 HydrophobicContact CG-CE2 3.45Å; F160-F191 VanDerWaalsContact CG-CE2 3.45Å; F160-F191 AromaticContact CG-CZ 3.94Å; F160-F191 HydrophobicContact CG-CZ 3.94Å; F160-F191 HydrophobicContact CZ-CE1 4.4Å; F160-F191 HydrophobicContact CZ-CE2 4.15Å; F160-F191 AromaticContact CZ-CZ 3.94Å; F160-F191 HydrophobicContact CZ-CZ 3.94Å; V168-F191 HydrophobicContact CG1-CE2 4.07Å; V168-F191 HydrophobicContact CG1-CZ 4.15Å; F191-L215 HydrophobicContact CD2-CD1 3.86Å
192T92.2Very high90.8Very high30 Ų3061 Ų6118%0.18431%0.305CS..SBendtrans-147.5165.4-177.3-163.40000110M68 K150 H190 L215M68-T192 WeakPolarHBondContact CE-O 3.17Å; K150-T192 WeakPolarHBondContact O-CB 3.32Å; K150-T192 WeakPolarHBondContact O-CG2 3.47Å; K150-T192 PolarHBondContact O-OG1 2.88Å; H190-T192 HydrophobicContact CB-CG2 3.87Å; H190-T192 PolarHBondContact O-N 3.42Å; T192-L215 WeakPolarHBondContact O-CD2 3.41Å
193E89.6Confident90.4Very high119 Ų11968 Ų6856%0.55634%0.341SS*.  trans-59.4128.5-177.3-78.4-166.4-170.600109.7M68 Q195 K198M68-E193 HydrophobicContact CE-CG 4.25Å; E193-Q195 PolarHBondContact O-N 3.37Å; E193-K198 IonicContact OE2-NZ 2.64Å
194P89.2Confident89.8Confident22 Ų2271.2 Ų71.214%0.14335%0.347CS..  trans-68.7130.8-174.231.1-38.8000110.2L197 K198 F214 D216P194-L197 HydrophobicContact CB-CB 3.9Å; P194-L197 HydrophobicContact CB-CD1 3.75Å; P194-L197 HydrophobicContact CB-CG 3.98Å; P194-L197 HydrophobicContact CG-CB 4.46Å; P194-L197 HydrophobicContact CG-CD1 4.2Å; P194-K198 WeakPolarHBondContact O-CD 3.32Å; P194-K198 VanDerWaalsContact O-CE 3.24Å; P194-K198 WeakPolarHBondContact O-CE 3.44Å; P194-F214 VanDerWaalsContact CG-O 3.28Å; P194-F214 WeakPolarHBondContact CG-O 3.35Å; P194-D216 WeakPolarHBondContact CA-OD2 3.08Å
195Q86.5Confident89.2Confident112 Ų11269.6 Ų69.652%0.52334%0.343SS..SBendtrans-100.9-35.7175.8-61.6-176.416.900111.2E193 D216E193-Q195 PolarHBondContact O-N 3.37Å; Q195-D216 PolarHBondContact N-OD2 3.27Å
196K83.3Confident88.6Confident56 Ų5671.2 Ų71.224%0.24336%0.363CS..SBendtrans-86.2-37.4-175.9-55.8177.7-164.2163.10111.6K198 K199 K200 D216 E220 D221K196-K198 PolarHBondContact O-N 2.97Å; K196-K199 WeakPolarHBondContact O-CA 3.44Å; K196-K199 WeakPolarHBondContact O-CB 3.32Å; K196-K199 PolarHBondContact O-N 3.5Å; K196-K200 PolarHBondContact O-N 2.89Å; K196-D216 WeakPolarHBondContact CB-OD1 3.48Å; K196-D216 PolarHBondContact N-OD1 3.37Å; K196-D216 PolarHBondContact N-OD2 3.35Å; K196-E220 HydrophobicContact CD-CB 3.97Å; K196-E220 PolarHBondContact NZ-O 2.87Å; K196-D221 IonicContact NZ-OD1 3.24Å; K196-D221 PolarHBondContact NZ-OD1 2.76Å
197L82.3Confident88.2Confident21 Ų2175.9 Ų75.911%0.1138%0.384CS..G310 helixtrans-55.6-36.4174.1-67.9179.1000112.5P194 K199 K200 L208 D213 F214 D216P194-L197 HydrophobicContact CB-CB 3.9Å; P194-L197 HydrophobicContact CB-CD1 3.75Å; P194-L197 HydrophobicContact CB-CG 3.98Å; P194-L197 HydrophobicContact CG-CB 4.46Å; P194-L197 HydrophobicContact CG-CD1 4.2Å; L197-K199 PolarHBondContact O-N 3.33Å; L197-K199 VanDerWaalsContact O-N 3.11Å; L197-K200 HydrophobicContact CD2-CD 3.82Å; L197-K200 PolarHBondContact O-N 3.02Å; L197-K200 VanDerWaalsContact O-N 3.16Å; L197-L208 HydrophobicContact CD2-CD1 3.9Å; L197-D213 WeakPolarHBondContact CD1-O 3.42Å; L197-F214 WeakPolarHBondContact CD1-O 3.27Å; L197-D216 WeakPolarHBondContact CG-OD1 3.05Å; L197-D216 PolarHBondContact N-OD1 3.49Å
198K81.3Confident87.7Confident152 Ų15275.9 Ų75.966%0.66139%0.387SS*.G310 helixtrans-62.4-17176.7-66178.7-177.21710113.3E193 P194 K196E193-K198 IonicContact OE2-NZ 2.64Å; P194-K198 WeakPolarHBondContact O-CD 3.32Å; P194-K198 VanDerWaalsContact O-CE 3.24Å; P194-K198 WeakPolarHBondContact O-CE 3.44Å; K196-K198 PolarHBondContact O-N 2.97Å
199K85.1Confident87.4Confident176 Ų17679.1 Ų79.177%0.76541%0.405SS*.G310 helixtrans-103.9-4.4-178.4-57.8178.5-176.2178.60113.1K196 L197K196-K199 WeakPolarHBondContact O-CA 3.44Å; K196-K199 WeakPolarHBondContact O-CB 3.32Å; K196-K199 PolarHBondContact O-N 3.5Å; L197-K199 PolarHBondContact O-N 3.33Å; L197-K199 VanDerWaalsContact O-N 3.11Å
200K86.2Confident87Confident50 Ų5083.6 Ų83.622%0.21744%0.435CS..  trans-72.6149.6-179.4-69.4-168.1178.2-173.90111.6K196 L197 E204 L205 E220K196-K200 PolarHBondContact O-N 2.89Å; L197-K200 HydrophobicContact CD2-CD 3.82Å; L197-K200 PolarHBondContact O-N 3.02Å; L197-K200 VanDerWaalsContact O-N 3.16Å; K200-E204 HydrophobicContact CB-CB 4.31Å; K200-L205 HydrophobicContact CB-CD2 4.2Å; K200-L205 HydrophobicContact CB-CG 4.29Å; K200-E220 WeakPolarHBondContact CE-OE1 3.31Å; K200-E220 IonicContact NZ-OE1 2.81Å; K200-E220 PolarHBondContact NZ-OE1 3.19Å; K200-E220 IonicContact NZ-OE2 3.91Å
201S87.4Confident86.7Confident54 Ų5485 Ų8538%0.37845%0.446SS..  trans-73.1159.4176.868.20000111.9L203 E204 L205S201-L203 PolarHBondContact O-N 2.88Å; S201-E204 WeakPolarHBondContact CB-OE2 3.35Å; S201-E204 PolarHBondContact N-OE2 2.92Å; S201-E204 PolarHBondContact O-N 3.14Å; S201-E204 VanDerWaalsContact O-N 3.15Å; S201-E204 VanDerWaalsContact OG-CD 3.3Å; S201-E204 VanDerWaalsContact OG-CG 3.29Å; S201-E204 WeakPolarHBondContact OG-CG 3.35Å; S201-E204 PolarHBondContact OG-N 3.45Å; S201-E204 PolarHBondContact OG-OE2 3.12Å; S201-L205 WeakPolarHBondContact O-CG 3.01Å; S201-L205 PolarHBondContact O-N 2.88Å
202I85.1Confident86.6Confident151 Ų15186.4 Ų86.477%0.77445%0.454SS*.Hα-helixtrans-58-36.7178.3-62172000111.5L205 A206I202-L205 PolarHBondContact O-N 3.35Å; I202-A206 PolarHBondContact O-N 3.15Å; I202-A206 VanDerWaalsContact O-N 3.13Å
203L86Confident86.6Confident145 Ų14586 Ų8676%0.75945%0.45SS*.Hα-helixtrans-64.3-44.5178.3-71.8163.9000111.3S201 L205 A206S201-L203 PolarHBondContact O-N 2.88Å; L203-L205 VanDerWaalsContact C-N 3.3Å; L203-L205 PolarHBondContact O-N 3.29Å; L203-A206 WeakPolarHBondContact O-CB 3.43Å; L203-A206 PolarHBondContact O-N 2.7Å
204E84.3Confident86.8Confident104 Ų10481 Ų8149%0.48643%0.426SS..Hα-helixtrans-67.6-32.6177.5-68.3164.7132.600112.2K200 S201 A206K200-E204 HydrophobicContact CB-CB 4.31Å; S201-E204 WeakPolarHBondContact CB-OE2 3.35Å; S201-E204 PolarHBondContact N-OE2 2.92Å; S201-E204 PolarHBondContact O-N 3.14Å; S201-E204 VanDerWaalsContact O-N 3.15Å; S201-E204 VanDerWaalsContact OG-CD 3.3Å; S201-E204 VanDerWaalsContact OG-CG 3.29Å; S201-E204 WeakPolarHBondContact OG-CG 3.35Å; S201-E204 PolarHBondContact OG-N 3.45Å; S201-E204 PolarHBondContact OG-OE2 3.12Å; E204-A206 VanDerWaalsContact C-N 3.3Å
205L83.6Confident87Confident81 Ų8180.2 Ų80.242%0.42442%0.421SS..Hα-helixtrans-71.7-24.3177-68.5172.7000112.8K200 S201 I202 L203 D207 L208K200-L205 HydrophobicContact CB-CD2 4.2Å; K200-L205 HydrophobicContact CB-CG 4.29Å; S201-L205 WeakPolarHBondContact O-CG 3.01Å; S201-L205 PolarHBondContact O-N 2.88Å; I202-L205 PolarHBondContact O-N 3.35Å; L203-L205 VanDerWaalsContact C-N 3.3Å; L203-L205 PolarHBondContact O-N 3.29Å; L205-D207 PolarHBondContact O-N 2.8Å; L205-L208 HydrophobicContact CD2-CD1 4.18Å; L205-L208 PolarHBondContact O-N 3.15Å
206A83.3Confident87.4Confident79 Ų7975.2 Ų75.265%0.65340%0.398SS*.Hα-helixtrans-65.7-27.7-178.300000113I202 L203 E204I202-A206 PolarHBondContact O-N 3.15Å; I202-A206 VanDerWaalsContact O-N 3.13Å; L203-A206 WeakPolarHBondContact O-CB 3.43Å; L203-A206 PolarHBondContact O-N 2.7Å; E204-A206 VanDerWaalsContact C-N 3.3Å
207D85.6Confident87.9Confident149 Ų14973.2 Ų73.280%0.79739%0.391SS*.THydrogen-bonded Turntrans-88.5-7.6180-67.3-31.1000113.3L205L205-D207 PolarHBondContact O-N 2.8Å
208L87.9Confident88.5Confident51 Ų5172.4 Ų72.427%0.26739%0.387SS..SBendtrans-92.9144.2-177.3-62.2-176000111.7L197 L205 P210 D213L197-L208 HydrophobicContact CD2-CD1 3.9Å; L205-L208 HydrophobicContact CD2-CD1 4.18Å; L205-L208 PolarHBondContact O-N 3.15Å; L208-P210 WeakPolarHBondContact O-CD 3.49Å; L208-D213 HydrophobicContact CB-CB 3.95Å; L208-D213 HydrophobicContact CD2-CB 4.06Å; L208-D213 HydrophobicContact CG-CB 4.41Å
209N89.6Confident89.1Confident71 Ų7168 Ų6838%0.3838%0.375SS..  trans-88.8112.4169.6-177-41.7000109.7S211 I212 D213N209-S211 PolarHBondContact O-N 2.92Å; N209-S211 WeakPolarHBondContact OD1-CB 3.46Å; N209-S211 PolarHBondContact OD1-N 2.87Å; N209-I212 HydrophobicContact CB-CB 4.37Å; N209-I212 PolarHBondContact O-N 2.86Å; N209-D213 PolarHBondContact N-OD2 2.93Å; N209-D213 WeakPolarHBondContact O-CA 3.34Å; N209-D213 WeakPolarHBondContact O-CB 3.25Å; N209-D213 PolarHBondContact O-N 2.82Å
210P88.4Confident89.5Confident103 Ų10362.8 Ų62.867%0.66935%0.353SS*.THydrogen-bonded Turntrans-61.3-21-174.8-24.535.1000115.1L208L208-P210 WeakPolarHBondContact O-CD 3.49Å
211S90.3Very high89.8Confident44 Ų4461.6 Ų61.631%0.30835%0.349SS..THydrogen-bonded Turntrans-81.9-26.6178.5-53.80000112.6I161 K162 N209 F214I161-S211 CarbonylContact C-O 3.56Å; I161-S211 WeakPolarHBondContact CA-O 3.36Å; I161-S211 WeakPolarHBondContact CG1-O 3.41Å; K162-S211 PolarHBondContact N-O 3.15Å; N209-S211 PolarHBondContact O-N 2.92Å; N209-S211 WeakPolarHBondContact OD1-CB 3.46Å; N209-S211 PolarHBondContact OD1-N 2.87Å; S211-F214 WeakPolarHBondContact O-CD1 3.49Å
212I92.1Very high89.9Confident45 Ų4566.3 Ų66.323%0.23137%0.369CS..THydrogen-bonded Turntrans-111.1-42.7-174.8-63.5171.7000111.4R157 N209 F214R157-I212 HydrophobicContact CG-CG2 4.1Å; N209-I212 HydrophobicContact CB-CB 4.37Å; N209-I212 PolarHBondContact O-N 2.86Å; I212-F214 VanDerWaalsContact C-N 3.31Å; I212-F214 PolarHBondContact O-N 3.21Å
213D91.4Very high90.2Very high20 Ų2060.5 Ų60.511%0.10734%0.341CS..  trans-95.948.5-174-58.9-47.4000111.3R157 L197 L208 N209R157-D213 IonicContact CZ-OD1 3.68Å; R157-D213 VanDerWaalsContact CZ-OD1 3.24Å; R157-D213 IonicContact CZ-OD2 3.07Å; R157-D213 IonicContact NE-OD1 3.35Å; R157-D213 PolarHBondContact NE-OD1 3.25Å; R157-D213 VanDerWaalsContact NH2-CG 3.3Å; R157-D213 IonicContact NH2-OD1 2.97Å; R157-D213 PolarHBondContact NH2-OD1 2.87Å; R157-D213 IonicContact NH2-OD2 2.84Å; R157-D213 PolarHBondContact NH2-OD2 2.89Å; L197-D213 WeakPolarHBondContact CD1-O 3.42Å; L208-D213 HydrophobicContact CB-CB 3.95Å; L208-D213 HydrophobicContact CD2-CB 4.06Å; L208-D213 HydrophobicContact CG-CB 4.41Å; N209-D213 PolarHBondContact N-OD2 2.93Å; N209-D213 WeakPolarHBondContact O-CA 3.34Å; N209-D213 WeakPolarHBondContact O-CB 3.25Å; N209-D213 PolarHBondContact O-N 2.82Å
214F93.3Very high90.4Very high14 Ų1462.8 Ų62.86%0.06134%0.344CS..  trans-99.46-179.168.8-86.5000113.6F160 K162 V168 P194 L197 S211 I212F160-F214 HydrophobicContact CB-CZ 4.14Å; K162-F214 HydrophobicContact CB-CB 4.35Å; K162-F214 HydrophobicContact CB-CD1 3.64Å; K162-F214 HydrophobicContact CB-CD2 4.1Å; K162-F214 HydrophobicContact CB-CE1 3.89Å; K162-F214 HydrophobicContact CB-CE2 4.31Å; K162-F214 HydrophobicContact CB-CG 3.76Å; K162-F214 HydrophobicContact CB-CZ 4.22Å; K162-F214 HydrophobicContact CD-CB 4Å; K162-F214 HydrophobicContact CD-CD2 3.93Å; K162-F214 HydrophobicContact CD-CG 3.96Å; V168-F214 HydrophobicContact CG1-CE2 4.05Å; V168-F214 HydrophobicContact CG1-CZ 3.78Å; V168-F214 HydrophobicContact CG2-CE2 3.85Å; V168-F214 HydrophobicContact CG2-CZ 4.26Å; P194-F214 VanDerWaalsContact CG-O 3.28Å; P194-F214 WeakPolarHBondContact CG-O 3.35Å; L197-F214 WeakPolarHBondContact CD1-O 3.27Å; S211-F214 WeakPolarHBondContact O-CD1 3.49Å; I212-F214 VanDerWaalsContact C-N 3.31Å; I212-F214 PolarHBondContact O-N 3.21Å
215L94.2Very high90.7Very high6 Ų659.7 Ų59.73%0.03134%0.341CS..SBendtrans-124.5157.8-177.3-60.3174.6000111.8M68 V155 L189 H190 F191 T192M68-L215 HydrophobicContact CE-CD2 3.85Å; V155-L215 HydrophobicContact CG2-CD1 3.92Å; L189-L215 HydrophobicContact CB-CB 3.78Å; L189-L215 HydrophobicContact CB-CD1 4.18Å; L189-L215 HydrophobicContact CD1-CB 3.98Å; L189-L215 HydrophobicContact CD1-CD1 4.42Å; L189-L215 HydrophobicContact CG-CB 4.42Å; H190-L215 WeakPolarHBondContact O-CB 3.28Å; H190-L215 WeakPolarHBondContact O-CD2 3.34Å; F191-L215 HydrophobicContact CD2-CD1 3.86Å; T192-L215 WeakPolarHBondContact O-CD2 3.41Å
216D94Very high91.2Very high8 Ų856 Ų564%0.04332%0.321CS..  trans-80.9133.1178.7-69-26.6000111.2L189 H190 P194 Q195 K196 L197L189-D216 CarbonylContact C-O 3.59Å; L189-D216 WeakPolarHBondContact CA-O 3.49Å; H190-D216 PolarHBondContact N-O 2.83Å; P194-D216 WeakPolarHBondContact CA-OD2 3.08Å; Q195-D216 PolarHBondContact N-OD2 3.27Å; K196-D216 WeakPolarHBondContact CB-OD1 3.48Å; K196-D216 PolarHBondContact N-OD1 3.37Å; K196-D216 PolarHBondContact N-OD2 3.35Å; L197-D216 WeakPolarHBondContact CG-OD1 3.05Å; L197-D216 PolarHBondContact N-OD1 3.49Å
217P94.5Very high91.8Very high14 Ų1453.1 Ų53.19%0.09129%0.294CS..BIsolated β-bridgetrans-78.7146178.731.5-35000113.2F188 L189 S219 E220F188-P217 WeakPolarHBondContact O-CA 2.95Å; L189-P217 HydrophobicContact CD2-CB 3.74Å; P217-S219 PolarHBondContact O-N 3.48Å; P217-E220 HydrophobicContact CG-CB 4.35Å; P217-E220 VanDerWaalsContact CG-CD 3.47Å; P217-E220 HydrophobicContact CG-CG 3.77Å; P217-E220 WeakPolarHBondContact CG-OE1 3.33Å; P217-E220 PolarHBondContact O-N 2.84Å; P217-E220 VanDerWaalsContact O-N 3.16Å
218L95.3Very high92.2Very high3 Ų347.7 Ų47.72%0.01627%0.267CS..G310 helixtrans-62.5-27.5178.5-60.8-169.4000112.8V154 L185 F188 H190 E220 D221 W227 I240V154-L218 HydrophobicContact CG1-CD1 3.83Å; V154-L218 HydrophobicContact CG2-CD1 3.86Å; V154-L218 HydrophobicContact CG2-CD2 4.33Å; L185-L218 HydrophobicContact CD2-CB 4.48Å; L185-L218 HydrophobicContact CD2-CD1 4.42Å; F188-L218 HydrophobicContact CB-CD1 3.73Å; F188-L218 HydrophobicContact CB-CG 4.02Å; F188-L218 WeakPolarHBondContact O-CG 3.3Å; F188-L218 PolarHBondContact O-N 2.9Å; H190-L218 WeakPolarHBondContact CE1-CD2 3.5Å; H190-L218 VanDerWaalsContact NE2-CD2 3.31Å; H190-L218 WeakPolarHBondContact NE2-CD2 3.47Å; L218-E220 PolarHBondContact O-N 3.2Å; L218-D221 WeakPolarHBondContact O-CB 3.32Å; L218-D221 PolarHBondContact O-N 3Å; L218-D221 VanDerWaalsContact O-N 3.12Å; L218-W227 HydrophobicContact CB-CG 4.44Å; L218-W227 HydrophobicContact CD1-CD2 3.89Å; L218-W227 HydrophobicContact CD1-CE3 4.09Å; L218-W227 HydrophobicContact CD1-CG 4.33Å; L218-W227 HydrophobicContact CD1-CH2 4.34Å; L218-W227 HydrophobicContact CD1-CZ2 4.19Å; L218-W227 HydrophobicContact CD1-CZ3 4.29Å; L218-W227 HydrophobicContact CD2-CH2 4.42Å; L218-W227 HydrophobicContact CD2-CZ2 3.74Å; L218-I240 HydrophobicContact CD1-CG2 4.21Å
219S94.4Very high92.6Very high59 Ų5947.3 Ų47.341%0.41327%0.266SS..G310 helixtrans-63.4-19.6178.455.80000114S186 P217S186-S219 WeakPolarHBondContact CA-OG 3.48Å; P217-S219 PolarHBondContact O-N 3.48Å
220E92.5Very high92.9Very high68 Ų6848.3 Ų48.332%0.31827%0.268SS..G310 helixtrans-90.31.5178.4-69176.4-165.900112.4K196 K200 P217 L218K196-E220 HydrophobicContact CD-CB 3.97Å; K196-E220 PolarHBondContact NZ-O 2.87Å; K200-E220 WeakPolarHBondContact CE-OE1 3.31Å; K200-E220 IonicContact NZ-OE1 2.81Å; K200-E220 PolarHBondContact NZ-OE1 3.19Å; K200-E220 IonicContact NZ-OE2 3.91Å; P217-E220 HydrophobicContact CG-CB 4.35Å; P217-E220 VanDerWaalsContact CG-CD 3.47Å; P217-E220 HydrophobicContact CG-CG 3.77Å; P217-E220 WeakPolarHBondContact CG-OE1 3.33Å; P217-E220 PolarHBondContact O-N 2.84Å; P217-E220 VanDerWaalsContact O-N 3.16Å; L218-E220 PolarHBondContact O-N 3.2Å
221D92.5Very high93.2Very high25 Ų2547.1 Ų47.113%0.13425%0.252CS..  trans-72.1149.3-177.7-76-7.4000113.9H190 K196 L218 P223 W227H190-D221 IonicContact CD2-OD1 2.68Å; H190-D221 IonicContact CD2-OD2 3.82Å; H190-D221 IonicContact CE1-OD2 2.78Å; H190-D221 PolarHBondContact CE1-OD2 3.27Å; H190-D221 VanDerWaalsContact CE1-OD2 3.29Å; H190-D221 VanDerWaalsContact NE2-CG 3.29Å; H190-D221 IonicContact NE2-OD1 3.86Å; H190-D221 PolarHBondContact NE2-OD1 3.25Å; H190-D221 VanDerWaalsContact NE2-OD1 3.14Å; H190-D221 IonicContact NE2-OD2 3.14Å; H190-D221 PolarHBondContact NE2-OD2 3.09Å; K196-D221 IonicContact NZ-OD1 3.24Å; K196-D221 PolarHBondContact NZ-OD1 2.76Å; L218-D221 WeakPolarHBondContact O-CB 3.32Å; L218-D221 PolarHBondContact O-N 3Å; L218-D221 VanDerWaalsContact O-N 3.12Å; D221-P223 CarbonylContact O-C 3.57Å; D221-W227 PolarHBondContact OD2-NE1 3.29Å
222I89.8Confident93.2Very high152 Ų15247 Ų4778%0.77925%0.247SC*.SBendtrans-121.7129.9-177.9-57.3174.7000107.5
223P91.8Very high93Very high29 Ų2951 Ų5119%0.18826%0.259CS..SBendcis-71.3155.8-0.130-36.5000113.7D221 G225 S226 L273 P274 L277D221-P223 CarbonylContact O-C 3.57Å; P223-G225 PolarHBondContact O-N 3.32Å; P223-S226 VanDerWaalsContact CD-OG 3.25Å; P223-S226 WeakPolarHBondContact CD-OG 3.5Å; P223-S226 WeakPolarHBondContact O-CB 3.43Å; P223-S226 PolarHBondContact O-N 2.83Å; P223-S226 VanDerWaalsContact O-N 3.11Å; P223-S226 PolarHBondContact O-OG 2.72Å; P223-L273 HydrophobicContact CG-CD2 3.87Å; P223-L273 HydrophobicContact CG-CG 4.18Å; P223-P274 HydrophobicContact CG-CG 4.27Å; P223-L277 HydrophobicContact CB-CD1 4.04Å; P223-L277 HydrophobicContact CG-CD1 3.9Å
224K90.7Very high92.7Very high193 Ų19353.6 Ų53.684%0.83929%0.291SS*.THydrogen-bonded Turntrans-61.4131.1168.2-71.3-172.6177.5-178.70108.5L277K224-L277 WeakPolarHBondContact O-CD1 3.42Å
225G90.8Very high92.4Very high40 Ų4056.6 Ų56.641%0.41231%0.313SS..THydrogen-bonded Turntrans98.12.9-170.600000114.2P223 W227 M243P223-G225 PolarHBondContact O-N 3.32Å; G225-W227 PolarHBondContact O-N 2.76Å; G225-W227 VanDerWaalsContact O-N 3.1Å; G225-M243 WeakPolarHBondContact O-CG 3.5Å
226S93Very high92.2Very high2 Ų260 Ų601%0.01434%0.335CS..SBendtrans-60.7-15.2171.9-65.30000114.6P223 M243P223-S226 VanDerWaalsContact CD-OG 3.25Å; P223-S226 WeakPolarHBondContact CD-OG 3.5Å; P223-S226 WeakPolarHBondContact O-CB 3.43Å; P223-S226 PolarHBondContact O-N 2.83Å; P223-S226 VanDerWaalsContact O-N 3.11Å; P223-S226 PolarHBondContact O-OG 2.72Å; S226-M243 PolarHBondContact O-N 3.31Å
227W95.9Very high92.2Very high19 Ų1959.8 Ų59.87%0.07233%0.334CS..EExtended strand (participates in β ladder)trans-130.5134.1-177.1-65.2101000110.5V152 V154 L185 H190 L218 D221 G225 I240 R241 L248V152-W227 HydrophobicContact CB-CH2 4.06Å; V152-W227 HydrophobicContact CG1-CH2 3.89Å; V152-W227 HydrophobicContact CG1-CZ2 4.13Å; V154-W227 HydrophobicContact CG2-CH2 3.45Å; V154-W227 VanDerWaalsContact CG2-CH2 3.45Å; V154-W227 HydrophobicContact CG2-CZ2 4.27Å; V154-W227 HydrophobicContact CG2-CZ3 3.74Å; L185-W227 HydrophobicContact CD1-CB 3.98Å; L185-W227 HydrophobicContact CD2-CB 3.96Å; H190-W227 AromaticContact CE1-CZ2 3.85Å; L218-W227 HydrophobicContact CB-CG 4.44Å; L218-W227 HydrophobicContact CD1-CD2 3.89Å; L218-W227 HydrophobicContact CD1-CE3 4.09Å; L218-W227 HydrophobicContact CD1-CG 4.33Å; L218-W227 HydrophobicContact CD1-CH2 4.34Å; L218-W227 HydrophobicContact CD1-CZ2 4.19Å; L218-W227 HydrophobicContact CD1-CZ3 4.29Å; L218-W227 HydrophobicContact CD2-CH2 4.42Å; L218-W227 HydrophobicContact CD2-CZ2 3.74Å; D221-W227 PolarHBondContact OD2-NE1 3.29Å; G225-W227 PolarHBondContact O-N 2.76Å; G225-W227 VanDerWaalsContact O-N 3.1Å; W227-I240 HydrophobicContact CD2-CG2 4.34Å; W227-I240 HydrophobicContact CE3-CG2 3.43Å; W227-I240 VanDerWaalsContact CE3-CG2 3.43Å; W227-I240 HydrophobicContact CZ3-CG2 3.88Å; W227-R241 WeakPolarHBondContact CA-O 3.45Å; W227-L248 HydrophobicContact CH2-CD2 3.63Å; W227-L248 HydrophobicContact CZ3-CD2 3.51Å
228S95Very high92.3Very high35 Ų3559.2 Ų59.225%0.24533%0.33CS..EExtended strand (participates in β ladder)trans-104.2130.9167.7-177.40000109I240 R241S228-I240 CarbonylContact O-C 3.55Å; S228-I240 VanDerWaalsContact O-CA 3.27Å; S228-I240 WeakPolarHBondContact O-CA 3.28Å; S228-R241 PolarHBondContact N-O 2.79Å; S228-R241 PolarHBondContact O-N 3.36Å
229L96.1Very high92.3Very high44 Ų4459 Ų5923%0.2333%0.329CS..EExtended strand (participates in β ladder)trans-118.4124.1176.2-174157.6000108.5L185 F188 F231 I240L185-L229 HydrophobicContact CD2-CB 4.09Å; L185-L229 HydrophobicContact CD2-CD1 3.89Å; L185-L229 HydrophobicContact CG-CB 4.31Å; L185-L229 HydrophobicContact CG-CD1 4.01Å; F188-L229 HydrophobicContact CD2-CD1 4.37Å; F188-L229 HydrophobicContact CE2-CD1 4.03Å; L229-F231 HydrophobicContact CD2-CE2 4.34Å; L229-I240 HydrophobicContact CB-CG1 4.47Å; L229-I240 HydrophobicContact CD1-CD1 4.44Å; L229-I240 HydrophobicContact CD1-CG1 4.33Å; L229-I240 HydrophobicContact CG-CG1 4.15Å
230Q94.8Very high92.4Very high92 Ų9256.3 Ų56.343%0.4331%0.309SS..EExtended strand (participates in β ladder)trans-138.4144.9-176.7-65.9178.8-14.100111V239Q230-V239 PolarHBondContact N-O 3.35Å; Q230-V239 PolarHBondContact O-N 3.14Å
231F94.4Very high92.6Very high77 Ų7755 Ų5534%0.33830%0.302SS..EExtended strand (participates in β ladder)trans-94.3124.6170.1-82-76.8000109.6A182 L229 V237 C238 P254A182-F231 HydrophobicContact CB-CZ 4.28Å; L229-F231 HydrophobicContact CD2-CE2 4.34Å; F231-V237 WeakPolarHBondContact CA-O 3.37Å; F231-C238 HydrophobicContact CD1-CB 4.34Å; F231-C238 HydrophobicContact CE1-CB 3.98Å; F231-C238 HydrophobicContact CZ-CB 4.48Å; F231-P254 HydrophobicContact CE1-CG 4.28Å
232E91.8Very high92.7Very high43 Ų4354.1 Ų54.120%0.20130%0.297CS..EExtended strand (participates in β ladder)trans-116.7168.1-180-65.6-172.6-163.500111.1G234 S235 T236 V237 V239 R241E232-G234 PolarHBondContact O-N 2.75Å; E232-S235 PolarHBondContact O-N 2.78Å; E232-S235 VanDerWaalsContact O-N 3.15Å; E232-T236 PolarHBondContact O-N 2.83Å; E232-V237 PolarHBondContact N-O 2.95Å; E232-V237 PolarHBondContact O-N 2.86Å; E232-V239 HydrophobicContact CB-CG2 4.19Å; E232-V239 HydrophobicContact CG-CB 4.44Å; E232-V239 HydrophobicContact CG-CG2 4.02Å; E232-R241 IonicContact OE1-CZ 2.72Å; E232-R241 IonicContact OE1-NH1 3.94Å; E232-R241 PolarHBondContact OE1-NH1 2.86Å; E232-R241 IonicContact OE1-NH2 3.29Å; E232-R241 PolarHBondContact OE1-NH2 3.02Å; E232-R241 IonicContact OE2-NH2 2.8Å
233R87Confident92.9Very high129 Ų12950.2 Ų50.249%0.48728%0.276SS..THydrogen-bonded Turntrans56.442.3176.2-58.7-179.9171.9-145.1-9.3114.2D11 T236 V237D11-R233 PolarHBondContact O-NH2 2.88Å; R233-T236 WeakPolarHBondContact O-CG2 3.34Å; R233-T236 PolarHBondContact O-OG1 3.28Å; R233-T236 VanDerWaalsContact O-OG1 3.12Å; R233-V237 HydrophobicContact CB-CG2 4.48Å
234G84.9Confident93Very high74 Ų7450.2 Ų50.276%0.76328%0.275SS*.THydrogen-bonded Turntrans73.534.9-177.700000112.9E232 T236E232-G234 PolarHBondContact O-N 2.75Å; G234-T236 VanDerWaalsContact C-N 3.27Å; G234-T236 PolarHBondContact O-N 3.21Å
235S86.7Confident93.2Very high77 Ų7741.6 Ų41.654%0.53824%0.237SC..THydrogen-bonded Turntrans66.720.9-179.8-50.70000115.6E232E232-S235 PolarHBondContact O-N 2.78Å; E232-S235 VanDerWaalsContact O-N 3.15Å
236T90.3Very high93.3Very high78 Ų7844 Ų4448%0.47924%0.24SC..THydrogen-bonded Turntrans-87.3-15.917666.90000112.8E232 R233 G234 P254E232-T236 PolarHBondContact O-N 2.83Å; R233-T236 WeakPolarHBondContact O-CG2 3.34Å; R233-T236 PolarHBondContact O-OG1 3.28Å; R233-T236 VanDerWaalsContact O-OG1 3.12Å; G234-T236 VanDerWaalsContact C-N 3.27Å; G234-T236 PolarHBondContact O-N 3.21Å; T236-P254 VanDerWaalsContact O-CD 3.25Å; T236-P254 WeakPolarHBondContact O-CD 3.39Å
237V94.5Very high93.3Very high3 Ų345.2 Ų45.22%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-132.3128.4-179.4-171.70000109.1L12 F231 E232 R233 V239 F251 V253L12-V237 HydrophobicContact CD2-CG2 3.75Å; F231-V237 WeakPolarHBondContact CA-O 3.37Å; E232-V237 PolarHBondContact N-O 2.95Å; E232-V237 PolarHBondContact O-N 2.86Å; R233-V237 HydrophobicContact CB-CG2 4.48Å; V237-V239 HydrophobicContact CG1-CG2 3.91Å; V237-F251 HydrophobicContact CG1-CB 4.05Å; V237-V253 HydrophobicContact CG2-CG2 4.45Å
238C96Very high93.2Very high1 Ų144.4 Ų44.41%0.00725%0.25CC..EExtended strand (participates in β ladder)trans-88.5125165.8-179.80000108.3A182 F231 F251 H252A182-C238 HydrophobicContact CB-CB 4.29Å; A182-C238 PolarHBondContact O-SG 3.02Å; F231-C238 HydrophobicContact CD1-CB 4.34Å; F231-C238 HydrophobicContact CE1-CB 3.98Å; F231-C238 HydrophobicContact CZ-CB 4.48Å; C238-F251 CarbonylContact O-C 3.6Å; C238-F251 VanDerWaalsContact O-CA 3.25Å; C238-F251 WeakPolarHBondContact O-CA 3.38Å; C238-H252 PolarHBondContact N-O 3.15Å; C238-H252 PolarHBondContact O-N 3.37Å
239V95.9Very high93.3Very high0 Ų043.1 Ų43.10%024%0.24CC..EExtended strand (participates in β ladder)trans-116.7129.6179.1-178.50000108.8Q230 E232 V237 R241 T249 S250Q230-V239 PolarHBondContact N-O 3.35Å; Q230-V239 PolarHBondContact O-N 3.14Å; E232-V239 HydrophobicContact CB-CG2 4.19Å; E232-V239 HydrophobicContact CG-CB 4.44Å; E232-V239 HydrophobicContact CG-CG2 4.02Å; V237-V239 HydrophobicContact CG1-CG2 3.91Å; V239-R241 HydrophobicContact CG1-CG 4.37Å; V239-T249 HydrophobicContact CG1-CG2 3.52Å; V239-S250 CarbonylContact C-O 3.6Å; V239-S250 WeakPolarHBondContact CA-O 3.39Å
240I96.4Very high93.3Very high1 Ų141.2 Ų41.21%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-119.4129.2-179.5-62.3168.7000108.9L185 F188 L218 W227 S228 L229 S250L185-I240 HydrophobicContact CD2-CG2 4.41Å; F188-I240 HydrophobicContact CB-CD1 3.96Å; F188-I240 HydrophobicContact CD1-CD1 3.27Å; F188-I240 HydrophobicContact CD2-CD1 3.41Å; F188-I240 VanDerWaalsContact CD2-CD1 3.41Å; F188-I240 HydrophobicContact CE1-CD1 3.45Å; F188-I240 VanDerWaalsContact CE1-CD1 3.45Å; F188-I240 HydrophobicContact CE2-CD1 3.6Å; F188-I240 HydrophobicContact CG-CD1 3.23Å; F188-I240 HydrophobicContact CZ-CD1 3.61Å; L218-I240 HydrophobicContact CD1-CG2 4.21Å; W227-I240 HydrophobicContact CD2-CG2 4.34Å; W227-I240 HydrophobicContact CE3-CG2 3.43Å; W227-I240 VanDerWaalsContact CE3-CG2 3.43Å; W227-I240 HydrophobicContact CZ3-CG2 3.88Å; S228-I240 CarbonylContact O-C 3.55Å; S228-I240 VanDerWaalsContact O-CA 3.27Å; S228-I240 WeakPolarHBondContact O-CA 3.28Å; L229-I240 HydrophobicContact CB-CG1 4.47Å; L229-I240 HydrophobicContact CD1-CD1 4.44Å; L229-I240 HydrophobicContact CD1-CG1 4.33Å; L229-I240 HydrophobicContact CG-CG1 4.15Å; I240-S250 PolarHBondContact N-O 2.62Å; I240-S250 PolarHBondContact O-N 3.48Å
241R95.4Very high93.3Very high42 Ų4236.9 Ų36.916%0.15821%0.21CC..EExtended strand (participates in β ladder)trans-121.4137-179.1-63.4179174.190.54.6110.4S16 W227 S228 E232 V239 T249S16-R241 PolarHBondContact OG-NE 3.01Å; S16-R241 VanDerWaalsContact OG-NE 3.13Å; S16-R241 PolarHBondContact OG-NH2 3.36Å; W227-R241 WeakPolarHBondContact CA-O 3.45Å; S228-R241 PolarHBondContact N-O 2.79Å; S228-R241 PolarHBondContact O-N 3.36Å; E232-R241 IonicContact OE1-CZ 2.72Å; E232-R241 IonicContact OE1-NH1 3.94Å; E232-R241 PolarHBondContact OE1-NH1 2.86Å; E232-R241 IonicContact OE1-NH2 3.29Å; E232-R241 PolarHBondContact OE1-NH2 3.02Å; E232-R241 IonicContact OE2-NH2 2.8Å; V239-R241 HydrophobicContact CG1-CG 4.37Å; R241-T249 HydrophobicContact CG-CG2 4.36Å
242S95.3Very high93.4Very high5 Ų533.3 Ų33.34%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-83.3132.9172.1-172.60000110.2L244 W245 L248S242-L244 PolarHBondContact OG-N 3.16Å; S242-W245 PolarHBondContact OG-N 3.1Å; S242-W245 VanDerWaalsContact OG-N 3.07Å; S242-L248 PolarHBondContact N-O 3.07Å
243M94.5Very high93.7Very high70 Ų7032.4 Ų32.435%0.34519%0.192SC..SBendtrans-91.8-17172.6-56.9-56.2-63.800112.1G225 S226 N270 L273G225-M243 WeakPolarHBondContact O-CG 3.5Å; S226-M243 PolarHBondContact O-N 3.31Å; M243-N270 PolarHBondContact O-ND2 3Å; M243-L273 HydrophobicContact CB-CD1 3.67Å; M243-L273 HydrophobicContact CB-CD2 3.87Å; M243-L273 HydrophobicContact CB-CG 4.45Å
244L93.8Very high94.1Very high29 Ų2927 Ų2715%0.15217%0.173CC..SBendtrans-82-43.2172.6-76.4172.2000111.3S242 N270 L273S242-L244 PolarHBondContact OG-N 3.16Å; L244-N270 WeakPolarHBondContact O-CB 3.44Å; L244-N270 PolarHBondContact O-N 3.12Å; L244-L273 HydrophobicContact CB-CD2 4.5Å; L244-L273 HydrophobicContact CD2-CB 4.04Å; L244-L273 HydrophobicContact CD2-CD2 3.52Å; L244-L273 HydrophobicContact CD2-CG 4.42Å; L244-L273 HydrophobicContact CG-CD2 3.58Å
245W94.8Very high94.6Very high12 Ų1229.6 Ų29.65%0.04517%0.167CC..SBendtrans-111.784.8176.6-6893.9000109.6T147 I148 E151 V152 S242 G247 L248 Y263 G267 K269T147-W245 HydrophobicContact CG2-CH2 4.21Å; T147-W245 HydrophobicContact CG2-CZ2 3.9Å; I148-W245 HydrophobicContact CD1-CE3 3.82Å; I148-W245 HydrophobicContact CD1-CH2 4.35Å; I148-W245 HydrophobicContact CD1-CZ3 3.67Å; I148-W245 HydrophobicContact CG1-CD2 3.86Å; I148-W245 HydrophobicContact CG1-CE3 3.48Å; I148-W245 VanDerWaalsContact CG1-CE3 3.48Å; I148-W245 HydrophobicContact CG1-CH2 3.59Å; I148-W245 HydrophobicContact CG1-CZ2 4Å; I148-W245 HydrophobicContact CG1-CZ3 3.33Å; E151-W245 PolarHBondContact OE2-NE1 2.86Å; V152-W245 HydrophobicContact CG1-CB 4.02Å; V152-W245 HydrophobicContact CG1-CG 3.89Å; V152-W245 HydrophobicContact CG2-CB 4.39Å; V152-W245 HydrophobicContact CG2-CG 4.33Å; S242-W245 PolarHBondContact OG-N 3.1Å; S242-W245 VanDerWaalsContact OG-N 3.07Å; W245-G247 PolarHBondContact O-N 2.85Å; W245-L248 PolarHBondContact O-N 3.06Å; W245-L248 VanDerWaalsContact O-N 3.08Å; W245-Y263 HydrophobicContact CB-CE2 4.28Å; W245-G267 WeakPolarHBondContact CZ3-O 3.42Å; W245-K269 HydrophobicContact CD2-CB 4.34Å; W245-K269 HydrophobicContact CD2-CG 4.39Å; W245-K269 HydrophobicContact CE3-CB 4.23Å; W245-K269 HydrophobicContact CH2-CB 3.81Å; W245-K269 HydrophobicContact CH2-CD 4.5Å; W245-K269 HydrophobicContact CH2-CG 4.46Å; W245-K269 HydrophobicContact CZ2-CB 3.87Å; W245-K269 HydrophobicContact CZ2-CD 3.8Å; W245-K269 HydrophobicContact CZ2-CG 4.01Å; W245-K269 HydrophobicContact CZ3-CB 3.97Å
246L92.9Very high95Very high92 Ų9227.7 Ų27.748%0.48215%0.153SC..THydrogen-bonded Turntrans-58.1124.1177.5-59.2-179.5000109Y263 N270L246-Y263 WeakPolarHBondContact O-CE2 3.47Å; L246-Y263 PolarHBondContact O-OH 2.95Å; L246-N270 HydrophobicContact CG-CB 4.48Å
247G92.8Very high95.2Very high26 Ų2627.6 Ų27.627%0.26815%0.153SC..THydrogen-bonded Turntrans113.1-18.4-174.300000114.6W245 T249 M264W245-G247 PolarHBondContact O-N 2.85Å; G247-T249 PolarHBondContact O-N 2.82Å; G247-M264 WeakPolarHBondContact CA-O 3.28Å; G247-M264 PolarHBondContact O-N 3.13Å
248L95.2Very high95.3Very high3 Ų331 Ų312%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-76.4122.6171.8-172.297.8000110.9V152 V154 W227 S242 W245 Y261 I262 Y263V152-L248 HydrophobicContact CB-CD1 3.93Å; V152-L248 HydrophobicContact CB-CD2 3.71Å; V152-L248 HydrophobicContact CB-CG 4.25Å; V152-L248 HydrophobicContact CG1-CD2 4.3Å; V152-L248 HydrophobicContact CG2-CD1 3.65Å; V152-L248 HydrophobicContact CG2-CD2 4.33Å; V152-L248 HydrophobicContact CG2-CG 4.34Å; V152-L248 WeakPolarHBondContact O-CD2 3.39Å; V154-L248 HydrophobicContact CG2-CD2 4.38Å; W227-L248 HydrophobicContact CH2-CD2 3.63Å; W227-L248 HydrophobicContact CZ3-CD2 3.51Å; S242-L248 PolarHBondContact N-O 3.07Å; W245-L248 PolarHBondContact O-N 3.06Å; W245-L248 VanDerWaalsContact O-N 3.08Å; L248-Y261 HydrophobicContact CD1-CD2 3.72Å; L248-Y261 HydrophobicContact CD1-CE2 4.36Å; L248-Y261 HydrophobicContact CD1-CG 4.34Å; L248-I262 WeakPolarHBondContact CA-O 3.45Å; L248-Y263 HydrophobicContact CB-CD2 4.06Å
249T95.7Very high95.3Very high7 Ų732.5 Ų32.54%0.04318%0.176CC..EExtended strand (participates in β ladder)trans-126.2121.8168.1-53.50000109.6V13 S16 V239 R241 G247 Y261 I262V13-T249 HydrophobicContact CB-CG2 3.92Å; V13-T249 HydrophobicContact CG1-CG2 3.85Å; S16-T249 WeakPolarHBondContact CB-OG1 3.45Å; S16-T249 WeakPolarHBondContact OG-CG2 3.07Å; S16-T249 PolarHBondContact OG-OG1 2.79Å; V239-T249 HydrophobicContact CG1-CG2 3.52Å; R241-T249 HydrophobicContact CG-CG2 4.36Å; G247-T249 PolarHBondContact O-N 2.82Å; T249-Y261 CarbonylContact O-C 3.53Å; T249-Y261 WeakPolarHBondContact O-CA 3.24Å; T249-I262 PolarHBondContact N-O 3.35Å; T249-I262 PolarHBondContact O-N 2.67Å
250S95.9Very high95.2Very high4 Ų432.9 Ų32.93%0.02818%0.18CC..EExtended strand (participates in β ladder)trans-105.6149.2170.9-176.90000110.2V239 I240 G260V239-S250 CarbonylContact C-O 3.6Å; V239-S250 WeakPolarHBondContact CA-O 3.39Å; I240-S250 PolarHBondContact N-O 2.62Å; I240-S250 PolarHBondContact O-N 3.48Å; S250-G260 CarbonylContact C-O 3.6Å; S250-G260 WeakPolarHBondContact CA-O 3.39Å; S250-G260 PolarHBondContact OG-O 3.2Å
251F95.7Very high95.2Very high2 Ų234 Ų341%0.00918%0.184CC..EExtended strand (participates in β ladder)trans-133152.6174.277.6-87.3000111M1 S9 L12 V13 V237 C238 V253 H259 G260M1-F251 HydrophobicContact CE-CD1 3.68Å; M1-F251 HydrophobicContact CE-CE1 3.51Å; M1-F251 HydrophobicContact CG-CE1 4.27Å; M1-F251 HydrophobicContact SD-CE1 4.06Å; S9-F251 WeakPolarHBondContact OG-CZ 3.27Å; L12-F251 HydrophobicContact CB-CD2 4.29Å; L12-F251 HydrophobicContact CB-CG 4.25Å; L12-F251 HydrophobicContact CD1-CD2 3.58Å; L12-F251 HydrophobicContact CD1-CE2 3.44Å; L12-F251 VanDerWaalsContact CD1-CE2 3.44Å; L12-F251 HydrophobicContact CD1-CG 4.33Å; L12-F251 HydrophobicContact CD1-CZ 4.09Å; V13-F251 HydrophobicContact CG1-CB 4.08Å; V13-F251 HydrophobicContact CG1-CD1 3.65Å; V13-F251 HydrophobicContact CG1-CG 4.23Å; V237-F251 HydrophobicContact CG1-CB 4.05Å; C238-F251 CarbonylContact O-C 3.6Å; C238-F251 VanDerWaalsContact O-CA 3.25Å; C238-F251 WeakPolarHBondContact O-CA 3.38Å; F251-V253 HydrophobicContact CD2-CG2 4.35Å; F251-V253 HydrophobicContact CE2-CG2 4.49Å; F251-H259 VanDerWaalsContact O-CA 3.25Å; F251-H259 WeakPolarHBondContact O-CA 3.37Å; F251-H259 WeakPolarHBondContact O-CB 3.38Å; F251-G260 WeakPolarHBondContact CD1-O 3.46Å; F251-G260 WeakPolarHBondContact CE1-O 3.31Å; F251-G260 PolarHBondContact N-O 3.11Å; F251-G260 PolarHBondContact O-N 2.89Å
252H97.1Very high95.2Very high1 Ų132.2 Ų32.21%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-141.6134167.4176.864.2000108.9L177 F188 C238 P254 T256 Q258 H259L177-H252 PolarHBondContact N-NE2 3.26Å; F188-H252 HydrophobicContact CE1-CB 3.88Å; F188-H252 HydrophobicContact CZ-CB 4.3Å; C238-H252 PolarHBondContact N-O 3.15Å; C238-H252 PolarHBondContact O-N 3.37Å; H252-P254 WeakPolarHBondContact O-CD 3.31Å; H252-T256 PolarHBondContact CE1-O 2.68Å; H252-Q258 PolarHBondContact ND1-O 3.44Å; H252-H259 HydrophobicContact CB-CB 4.37Å
253V96.6Very high95.2Very high24 Ų2432 Ų3215%0.14518%0.176CC..  trans-96.2108.5173.9179.80000107.5L12 V237 F251 T256 Q258L12-V253 HydrophobicContact CD1-CG2 3.96Å; V237-V253 HydrophobicContact CG2-CG2 4.45Å; F251-V253 HydrophobicContact CD2-CG2 4.35Å; F251-V253 HydrophobicContact CE2-CG2 4.49Å; V253-T256 WeakPolarHBondContact CB-OG1 3.35Å; V253-T256 HydrophobicContact CG1-CG2 3.92Å; V253-T256 PolarHBondContact O-N 3.16Å; V253-T256 PolarHBondContact O-OG1 2.77Å; V253-Q258 HydrophobicContact CB-CB 4.2Å; V253-Q258 HydrophobicContact CG2-CB 4.23Å; V253-Q258 PolarHBondContact N-O 3.22Å
254P96.1Very high95.3Very high15 Ų1529 Ų2910%0.09716%0.161CC..THydrogen-bonded Turntrans-53.7149.5-178.2-2535.4000112.4L177 A182 F231 T236 H252 T256L177-P254 CarbonylContact O-C 3.56Å; L177-P254 VanDerWaalsContact O-CA 3.31Å; L177-P254 WeakPolarHBondContact O-CA 3.46Å; A182-P254 HydrophobicContact CB-CB 4.46Å; A182-P254 HydrophobicContact CB-CG 4.02Å; F231-P254 HydrophobicContact CE1-CG 4.28Å; T236-P254 VanDerWaalsContact O-CD 3.25Å; T236-P254 WeakPolarHBondContact O-CD 3.39Å; H252-P254 WeakPolarHBondContact O-CD 3.31Å; P254-T256 PolarHBondContact O-N 2.9Å; P254-T256 VanDerWaalsContact O-N 3.15Å
255M95.6Very high95.3Very high130 Ų13028 Ų2864%0.6416%0.157SC*.THydrogen-bonded Turntrans59.217.4-176.7-54.8-64.2-56.200114.6E175 L177E175-M255 CarbonylContact O-C 3Å; L177-M255 PolarHBondContact O-N 3.12Å
256T95.3Very high95.3Very high37 Ų3729.4 Ų29.423%0.22717%0.166CC..SBendtrans-137.1157.7171.179.80000110.8E175 G176 H252 V253 P254 Q258E175-T256 CarbonylContact O-C 3.17Å; E175-T256 WeakPolarHBondContact O-CA 3.25Å; E175-T256 PolarHBondContact O-N 3.19Å; G176-T256 WeakPolarHBondContact CA-O 3.35Å; H252-T256 PolarHBondContact CE1-O 2.68Å; V253-T256 WeakPolarHBondContact CB-OG1 3.35Å; V253-T256 HydrophobicContact CG1-CG2 3.92Å; V253-T256 PolarHBondContact O-N 3.16Å; V253-T256 PolarHBondContact O-OG1 2.77Å; P254-T256 PolarHBondContact O-N 2.9Å; P254-T256 VanDerWaalsContact O-N 3.15Å; T256-Q258 PolarHBondContact O-N 2.97Å; T256-Q258 VanDerWaalsContact O-N 3.13Å; T256-Q258 WeakPolarHBondContact OG1-CB 3.46Å; T256-Q258 PolarHBondContact OG1-N 2.74Å
257P94.8Very high95.2Very high75 Ų7525.3 Ų25.349%0.48715%0.146SC..SBendtrans-69.2-3.3171.926.4-34.1000113.8F174 H259F174-P257 HydrophobicContact CD1-CB 4.11Å; F174-P257 WeakPolarHBondContact O-CB 3.41Å; P257-H259 PolarHBondContact O-N 2.84Å; P257-H259 PolarHBondContact O-ND1 2.96Å
258Q95.1Very high95.2Very high74 Ų7427.3 Ų27.335%0.34615%0.15SC..  trans-75.9115-169.3-56.7-176.86.300111.2Y8 H252 V253 T256Y8-Q258 VanDerWaalsContact CE2-OE1 3.22Å; Y8-Q258 PolarHBondContact OH-NE2 3.43Å; Y8-Q258 PolarHBondContact OH-OE1 3.45Å; H252-Q258 PolarHBondContact ND1-O 3.44Å; V253-Q258 HydrophobicContact CB-CB 4.2Å; V253-Q258 HydrophobicContact CG2-CB 4.23Å; V253-Q258 PolarHBondContact N-O 3.22Å; T256-Q258 PolarHBondContact O-N 2.97Å; T256-Q258 VanDerWaalsContact O-N 3.13Å; T256-Q258 WeakPolarHBondContact OG1-CB 3.46Å; T256-Q258 PolarHBondContact OG1-N 2.74Å
259H96Very high95.1Very high34 Ų3430.8 Ų30.816%0.15717%0.165CC..EExtended strand (participates in β ladder)trans-150.2165.3176.264.3-79.5000110.2P156 F160 F251 H252 P257P156-H259 WeakPolarHBondContact CD-CD2 3.49Å; P156-H259 HydrophobicContact CG-CB 3.82Å; F160-H259 AromaticContact CE2-NE2 3.86Å; F251-H259 VanDerWaalsContact O-CA 3.25Å; F251-H259 WeakPolarHBondContact O-CA 3.37Å; F251-H259 WeakPolarHBondContact O-CB 3.38Å; H252-H259 HydrophobicContact CB-CB 4.37Å; P257-H259 PolarHBondContact O-N 2.84Å; P257-H259 PolarHBondContact O-ND1 2.96Å
260G95.1Very high95Very high8 Ų831.5 Ų31.58%0.08217%0.169CC..EExtended strand (participates in β ladder)trans167.8168170.100000111S250 F251S250-G260 CarbonylContact C-O 3.6Å; S250-G260 WeakPolarHBondContact CA-O 3.39Å; S250-G260 PolarHBondContact OG-O 3.2Å; F251-G260 WeakPolarHBondContact CD1-O 3.46Å; F251-G260 WeakPolarHBondContact CE1-O 3.31Å; F251-G260 PolarHBondContact N-O 3.11Å; F251-G260 PolarHBondContact O-N 2.89Å
261Y95.3Very high94.8Very high24 Ų2437.5 Ų37.59%0.09420%0.2CC..EExtended strand (participates in β ladder)trans-127.3162.4173.772-96.5000110.7M1 D149 S153 L248 T249M1-Y261 WeakPolarHBondContact CG-O 3.42Å; M1-Y261 PolarHBondContact N-O 3.16Å; D149-Y261 PolarHBondContact OD1-OH 3.11Å; S153-Y261 PolarHBondContact OG-OH 3.33Å; L248-Y261 HydrophobicContact CD1-CD2 3.72Å; L248-Y261 HydrophobicContact CD1-CE2 4.36Å; L248-Y261 HydrophobicContact CD1-CG 4.34Å; T249-Y261 CarbonylContact O-C 3.53Å; T249-Y261 WeakPolarHBondContact O-CA 3.24Å
262I95.7Very high94.6Very high4 Ų442.3 Ų42.32%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-138.4144169.1-168.4156.7000109.4M1 L10 V13 F46 W47 L248 T249 M264M1-I262 HydrophobicContact CE-CB 3.85Å; M1-I262 HydrophobicContact CE-CG2 3.81Å; M1-I262 HydrophobicContact CG-CB 4.41Å; M1-I262 HydrophobicContact SD-CB 4.46Å; L10-I262 HydrophobicContact CD2-CD1 3.65Å; V13-I262 HydrophobicContact CB-CG2 4.27Å; V13-I262 HydrophobicContact CG1-CG2 4.49Å; V13-I262 HydrophobicContact CG2-CG2 3.84Å; F46-I262 HydrophobicContact CD1-CD1 3.8Å; F46-I262 HydrophobicContact CE1-CD1 3.65Å; W47-I262 WeakPolarHBondContact O-CA 3.36Å; L248-I262 WeakPolarHBondContact CA-O 3.45Å; T249-I262 PolarHBondContact N-O 3.35Å; T249-I262 PolarHBondContact O-N 2.67Å; I262-M264 HydrophobicContact CD1-CE 3.35Å; I262-M264 HydrophobicContact CD1-CG 4.42Å; I262-M264 HydrophobicContact CG1-CE 4.11Å; I262-M264 HydrophobicContact CG1-CG 4.18Å
263Y96.1Very high94.3Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-106.1125.6167-177.6-96.4000110W47 G48 K49 I50 I148 W245 L246 L248 G267W47-Y263 AromaticContact CH2-CD1 3.41Å; W47-Y263 HydrophobicContact CH2-CD1 3.41Å; W47-Y263 VanDerWaalsContact CH2-CD1 3.41Å; W47-Y263 HydrophobicContact CH2-CE1 4.23Å; W47-Y263 AromaticContact CH2-CG 3.73Å; W47-Y263 HydrophobicContact CH2-CG 3.73Å; W47-Y263 HydrophobicContact CZ2-CD1 4.41Å; W47-Y263 HydrophobicContact CZ2-CG 4.34Å; W47-Y263 AromaticContact CZ3-CD1 3.54Å; W47-Y263 HydrophobicContact CZ3-CD1 3.54Å; W47-Y263 HydrophobicContact CZ3-CG 4.04Å; W47-Y263 PolarHBondContact O-N 3.13Å; W47-Y263 VanDerWaalsContact O-N 3.08Å; G48-Y263 CarbonylContact C-O 3.49Å; G48-Y263 WeakPolarHBondContact CA-O 3.43Å; K49-Y263 PolarHBondContact N-O 3.2Å; I50-Y263 HydrophobicContact CG1-CD1 4.41Å; I50-Y263 HydrophobicContact CG1-CE1 4.28Å; I148-Y263 HydrophobicContact CD1-CD1 4.36Å; I148-Y263 HydrophobicContact CD1-CE1 3.97Å; I148-Y263 HydrophobicContact CD1-CE2 4.32Å; I148-Y263 HydrophobicContact CG2-CD2 4.1Å; I148-Y263 HydrophobicContact CG2-CG 4.28Å; W245-Y263 HydrophobicContact CB-CE2 4.28Å; L246-Y263 WeakPolarHBondContact O-CE2 3.47Å; L246-Y263 PolarHBondContact O-OH 2.95Å; L248-Y263 HydrophobicContact CB-CD2 4.06Å; Y263-G267 VanDerWaalsContact OH-CA 3.27Å; Y263-G267 WeakPolarHBondContact OH-CA 3.35Å; Y263-G267 PolarHBondContact OH-N 3.34Å
264M95.6Very high94.1Very high9 Ų944.7 Ų44.74%0.04424%0.241CC..EExtended strand (participates in β ladder)trans-131.7105.5168.2-62.9-164.2-170.100109.1L10 L18 L20 K49 G247 I262L10-M264 HydrophobicContact CD2-CE 4.41Å; L18-M264 HydrophobicContact CB-CB 3.85Å; L18-M264 HydrophobicContact CB-CG 4.43Å; L18-M264 HydrophobicContact CB-SD 3.73Å; L18-M264 HydrophobicContact CD1-CB 3.77Å; L18-M264 WeakPolarHBondContact CD1-O 3.2Å; L18-M264 HydrophobicContact CG-CB 4.45Å; L20-M264 HydrophobicContact CD2-CE 3.93Å; L20-M264 HydrophobicContact CG-CE 3.89Å; K49-M264 HydrophobicContact CB-CG 4.26Å; K49-M264 WeakPolarHBondContact O-CA 3.24Å; G247-M264 WeakPolarHBondContact CA-O 3.28Å; G247-M264 PolarHBondContact O-N 3.13Å; I262-M264 HydrophobicContact CD1-CE 3.35Å; I262-M264 HydrophobicContact CD1-CG 4.42Å; I262-M264 HydrophobicContact CG1-CE 4.11Å; I262-M264 HydrophobicContact CG1-CG 4.18Å
265G94.5Very high93.9Very high6 Ų652.2 Ų52.26%0.06227%0.273CS..EExtended strand (participates in β ladder)trans-174.4-174.6-174.200000112.9K49 I50 L51 G267K49-G265 PolarHBondContact O-N 2.87Å; I50-G265 CarbonylContact C-O 3.51Å; I50-G265 VanDerWaalsContact CA-O 3.32Å; I50-G265 WeakPolarHBondContact CA-O 3.43Å; L51-G265 PolarHBondContact N-O 2.81Å; G265-G267 VanDerWaalsContact C-N 3.32Å
266D93.3Very high93.6Very high42 Ų4252.3 Ų52.323%0.22527%0.273CS..  trans-86.80.6-177.859.35.7000114L268D266-L268 VanDerWaalsContact C-N 3.31Å; D266-L268 WeakPolarHBondContact OD1-CB 3.46Å; D266-L268 PolarHBondContact OD1-N 3.25Å; D266-L268 VanDerWaalsContact OD1-N 3.11Å
267G92.6Very high93.1Very high7 Ų756.8 Ų56.87%0.07230%0.295CS..SBendtrans75.218.8-179.500000113.7W245 Y263 G265W245-G267 WeakPolarHBondContact CZ3-O 3.42Å; Y263-G267 VanDerWaalsContact OH-CA 3.27Å; Y263-G267 WeakPolarHBondContact OH-CA 3.35Å; Y263-G267 PolarHBondContact OH-N 3.34Å; G265-G267 VanDerWaalsContact C-N 3.32Å
268L92.3Very high93Very high67 Ų6755.9 Ų55.935%0.35129%0.286SS..  trans-99.8138.3177.6-62.9178.8000112G102 D266G102-L268 WeakPolarHBondContact O-CD2 3.45Å; D266-L268 VanDerWaalsContact C-N 3.31Å; D266-L268 WeakPolarHBondContact OD1-CB 3.46Å; D266-L268 PolarHBondContact OD1-N 3.25Å; D266-L268 VanDerWaalsContact OD1-N 3.11Å
269K92.4Very high92.9Very high77 Ų7754.9 Ų54.934%0.33528%0.283SS..  trans-85.6131.8174.3-169.2171.8-177.9167.60109.9E151 W245 L271E151-K269 IonicContact OE1-NZ 2.7Å; E151-K269 PolarHBondContact OE1-NZ 3.45Å; E151-K269 VanDerWaalsContact OE2-CE 3.24Å; E151-K269 WeakPolarHBondContact OE2-CE 3.28Å; E151-K269 IonicContact OE2-NZ 3.21Å; E151-K269 PolarHBondContact OE2-NZ 2.89Å; W245-K269 HydrophobicContact CD2-CB 4.34Å; W245-K269 HydrophobicContact CD2-CG 4.39Å; W245-K269 HydrophobicContact CE3-CB 4.23Å; W245-K269 HydrophobicContact CH2-CB 3.81Å; W245-K269 HydrophobicContact CH2-CD 4.5Å; W245-K269 HydrophobicContact CH2-CG 4.46Å; W245-K269 HydrophobicContact CZ2-CB 3.87Å; W245-K269 HydrophobicContact CZ2-CD 3.8Å; W245-K269 HydrophobicContact CZ2-CG 4.01Å; W245-K269 HydrophobicContact CZ3-CB 3.97Å; K269-L271 HydrophobicContact CD-CD2 4.07Å; K269-L271 HydrophobicContact CG-CD2 4.14Å; K269-L271 PolarHBondContact O-N 3.13Å; K269-L271 VanDerWaalsContact O-N 3.08Å
270N93.3Very high92.8Very high22 Ų2256.1 Ų56.112%0.11829%0.29CS..  trans-78.288.7174.4-176.413.5000110.3M243 L244 L246 D272 L273M243-N270 PolarHBondContact O-ND2 3Å; L244-N270 WeakPolarHBondContact O-CB 3.44Å; L244-N270 PolarHBondContact O-N 3.12Å; L246-N270 HydrophobicContact CG-CB 4.48Å; N270-D272 PolarHBondContact O-N 3.03Å; N270-D272 PolarHBondContact OD1-N 3.27Å; N270-L273 PolarHBondContact OD1-N 3.15Å
271L91.4Very high92.6Very high129 Ų12958.9 Ų58.968%0.67530%0.302SS*.THydrogen-bonded Turntrans-73.6-18176.8-61.3179.6000112.8K269 L273 P274K269-L271 HydrophobicContact CD-CD2 4.07Å; K269-L271 HydrophobicContact CG-CD2 4.14Å; K269-L271 PolarHBondContact O-N 3.13Å; K269-L271 VanDerWaalsContact O-N 3.08Å; L271-L273 VanDerWaalsContact C-N 3.29Å; L271-L273 PolarHBondContact O-N 3.25Å; L271-P274 WeakPolarHBondContact O-CD 3.36Å
272D92Very high92.4Very high103 Ų10361.1 Ų61.155%0.55132%0.315SS*.THydrogen-bonded Turntrans-84.7-4.3-178.5-60.8-43.2000112.9N270 P274 F275 M276N270-D272 PolarHBondContact O-N 3.03Å; N270-D272 PolarHBondContact OD1-N 3.27Å; D272-P274 VanDerWaalsContact C-N 3.32Å; D272-F275 WeakPolarHBondContact O-CB 3.5Å; D272-F275 PolarHBondContact O-N 3.46Å; D272-M276 WeakPolarHBondContact O-CG 3.39Å; D272-M276 PolarHBondContact O-N 3.35Å
273L91.6Very high92.2Very high2 Ų264.9 Ų64.91%0.0133%0.334CS..Hα-helixtrans-49-43.5-178.8-177.866.6000114.2P223 M243 L244 N270 L271 F275 M276 L277P223-L273 HydrophobicContact CG-CD2 3.87Å; P223-L273 HydrophobicContact CG-CG 4.18Å; M243-L273 HydrophobicContact CB-CD1 3.67Å; M243-L273 HydrophobicContact CB-CD2 3.87Å; M243-L273 HydrophobicContact CB-CG 4.45Å; L244-L273 HydrophobicContact CB-CD2 4.5Å; L244-L273 HydrophobicContact CD2-CB 4.04Å; L244-L273 HydrophobicContact CD2-CD2 3.52Å; L244-L273 HydrophobicContact CD2-CG 4.42Å; L244-L273 HydrophobicContact CG-CD2 3.58Å; N270-L273 PolarHBondContact OD1-N 3.15Å; L271-L273 VanDerWaalsContact C-N 3.29Å; L271-L273 PolarHBondContact O-N 3.25Å; L273-F275 PolarHBondContact O-N 2.79Å; L273-F275 VanDerWaalsContact O-N 3.12Å; L273-M276 PolarHBondContact O-N 2.75Å; L273-L277 HydrophobicContact CD1-CD1 4.04Å; L273-L277 HydrophobicContact CD1-CD2 4.22Å; L273-L277 HydrophobicContact CD1-CG 3.89Å; L273-L277 HydrophobicContact CD2-CD1 4.27Å; L273-L277 HydrophobicContact CG-CD1 3.8Å; L273-L277 HydrophobicContact CG-CG 4.15Å; L273-L277 WeakPolarHBondContact O-CG 3.29Å; L273-L277 PolarHBondContact O-N 3.39Å
274P91.3Very high92Very high73 Ų7369.6 Ų69.647%0.47436%0.358SS..Hα-helixtrans-59.7-22.7178.1-24.135.6000114.6P223 L271 D272P223-P274 HydrophobicContact CG-CG 4.27Å; L271-P274 WeakPolarHBondContact O-CD 3.36Å; D272-P274 VanDerWaalsContact C-N 3.32Å
275F91.7Very high91.7Very high174 Ų17474.2 Ų74.276%0.76338%0.382SS*.Hα-helixtrans-92.9-11177.3-51.5-72.5000112.9D272 L273D272-F275 WeakPolarHBondContact O-CB 3.5Å; D272-F275 PolarHBondContact O-N 3.46Å; L273-F275 PolarHBondContact O-N 2.79Å; L273-F275 VanDerWaalsContact O-N 3.12Å
276M90.7Very high91.4Very high131 Ų13179.9 Ų79.965%0.64541%0.409SS*.Hα-helixtrans-95.7-16.3-179.8-62.8176.170.600113.4D272 L273D272-M276 WeakPolarHBondContact O-CG 3.39Å; D272-M276 PolarHBondContact O-N 3.35Å; L273-M276 PolarHBondContact O-N 2.75Å
277L84.6Confident91.3Very high132 Ų13283.4 Ų83.469%0.69143%0.426SS*.  trans-90.40-176.4-70.5171.5000113.2P223 K224 L273P223-L277 HydrophobicContact CB-CD1 4.04Å; P223-L277 HydrophobicContact CG-CD1 3.9Å; K224-L277 WeakPolarHBondContact O-CD1 3.42Å; L273-L277 HydrophobicContact CD1-CD1 4.04Å; L273-L277 HydrophobicContact CD1-CD2 4.22Å; L273-L277 HydrophobicContact CD1-CG 3.89Å; L273-L277 HydrophobicContact CD2-CD1 4.27Å; L273-L277 HydrophobicContact CG-CD1 3.8Å; L273-L277 HydrophobicContact CG-CG 4.15Å; L273-L277 WeakPolarHBondContact O-CG 3.29Å; L273-L277 PolarHBondContact O-N 3.39Å

Retrieved 277 of 277 residues in 604.3 ms (Link to these results)

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