A0A068LKQ7_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LKQ7, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 107 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
1V39.4Very low67Low197 Ų19774.6 Ų74.6100%1.19450%0.502SS*.  0107.60179.50000107.1
2G46.7Very low68.9Low71 Ų7168.9 Ų68.973%0.73246%0.463SS*.  trans-77.6129170.800000108.1G4G2-G4 PolarHBondContact O-N 3.23Å
3S55.8Low70.8Confident99 Ų9964.8 Ų64.869%0.69243%0.434SS*.  trans-52.5128.2170.253.30000108.2L5S3-L5 PolarHBondContact O-N 3.11Å
4G58.8Low72.6Confident85 Ų8562.6 Ų62.688%0.87641%0.412SS*.SBendtrans-65.530.9-179.500000115.1G2G2-G4 PolarHBondContact O-N 3.23Å
5L66.8Low74.1Confident40 Ų4058.9 Ų58.921%0.20939%0.387CS..  trans-89.799.6178.2-176.868.4000109.4S3 L7 Y10 N55 I76 Y96S3-L5 PolarHBondContact O-N 3.11Å; L5-L7 HydrophobicContact CD2-CD2 3.97Å; L5-L7 HydrophobicContact CG-CD2 4.13Å; L5-L7 PolarHBondContact O-N 3.3Å; L5-Y10 HydrophobicContact CD1-CD2 4.37Å; L5-Y10 HydrophobicContact CD1-CE2 3.77Å; L5-N55 PolarHBondContact O-ND2 3.36Å; L5-N55 VanDerWaalsContact O-ND2 3.13Å; L5-I76 HydrophobicContact CD1-CD1 3.98Å; L5-I76 HydrophobicContact CD2-CD1 3.75Å; L5-I76 HydrophobicContact CG-CD1 4.18Å; L5-Y96 HydrophobicContact CD1-CD2 4.4Å; L5-Y96 HydrophobicContact CD1-CE2 4.38Å; L5-Y96 HydrophobicContact CD2-CG 4.39Å
6T71.4Confident75.6Confident69 Ų6956.3 Ų56.342%0.42337%0.367SS..  trans-84.698.9173.2-36.80000109.2S8 N9 Y10T6-S8 WeakPolarHBondContact CG2-OG 3.14Å; T6-S8 PolarHBondContact O-N 2.99Å; T6-S8 VanDerWaalsContact O-N 3.08Å; T6-N9 PolarHBondContact O-N 2.92Å; T6-N9 VanDerWaalsContact O-N 3.08Å; T6-Y10 VanDerWaalsContact O-CD2 3.29Å; T6-Y10 WeakPolarHBondContact O-CD2 3.35Å; T6-Y10 WeakPolarHBondContact O-CE2 3.34Å
7L73Confident76.8Confident28 Ų2857.3 Ų57.315%0.14737%0.366CS..G310 helixtrans-58.3-23.7179.5-55.3174.7000111.7L5 N9 Y10 M12 R50 N55 I76L5-L7 HydrophobicContact CD2-CD2 3.97Å; L5-L7 HydrophobicContact CG-CD2 4.13Å; L5-L7 PolarHBondContact O-N 3.3Å; L7-N9 PolarHBondContact O-N 3.48Å; L7-N9 VanDerWaalsContact O-N 3.08Å; L7-Y10 PolarHBondContact O-N 3.26Å; L7-M12 HydrophobicContact CB-SD 4.05Å; L7-M12 HydrophobicContact CD1-CE 4.33Å; L7-M12 HydrophobicContact CD2-CE 3.82Å; L7-M12 HydrophobicContact CD2-SD 3.88Å; L7-M12 HydrophobicContact CG-CE 4.5Å; L7-M12 HydrophobicContact CG-SD 4.45Å; L7-R50 PolarHBondContact O-NH2 3.13Å; L7-N55 WeakPolarHBondContact CA-OD1 3.26Å; L7-N55 WeakPolarHBondContact CB-OD1 3.16Å; L7-N55 WeakPolarHBondContact CD1-O 2.94Å; L7-N55 WeakPolarHBondContact CG-OD1 3.27Å; L7-N55 PolarHBondContact N-OD1 2.87Å; L7-I76 HydrophobicContact CD2-CD1 3.63Å; L7-I76 HydrophobicContact CD2-CG1 4.43Å
8S74.2Confident77.9Confident29 Ų2954.7 Ų54.720%0.20335%0.35CS..G310 helixtrans-55.8-19.6174.270.70000114.6T6 H31T6-S8 WeakPolarHBondContact CG2-OG 3.14Å; T6-S8 PolarHBondContact O-N 2.99Å; T6-S8 VanDerWaalsContact O-N 3.08Å; S8-H31 WeakPolarHBondContact O-CB 3.43Å
9N80.3Confident78.8Confident110 Ų11057.6 Ų57.659%0.58837%0.369SS*.G310 helixtrans-92.4-5-179.6-63.8-14.2000112.8T6 L7T6-N9 PolarHBondContact O-N 2.92Å; T6-N9 VanDerWaalsContact O-N 3.08Å; L7-N9 PolarHBondContact O-N 3.48Å; L7-N9 VanDerWaalsContact O-N 3.08Å
10Y82.9Confident79.6Confident51 Ų5159.4 Ų59.420%0.240%0.399CS..SBendtrans-122.3145.8-170.3-59.9-81.9000112.3L5 T6 L7 H31 R50 I76 F79L5-Y10 HydrophobicContact CD1-CD2 4.37Å; L5-Y10 HydrophobicContact CD1-CE2 3.77Å; T6-Y10 VanDerWaalsContact O-CD2 3.29Å; T6-Y10 WeakPolarHBondContact O-CD2 3.35Å; T6-Y10 WeakPolarHBondContact O-CE2 3.34Å; L7-Y10 PolarHBondContact O-N 3.26Å; Y10-H31 WeakPolarHBondContact O-CA 3.43Å; Y10-R50 PolarHBondContact O-NH1 2.84Å; Y10-I76 HydrophobicContact CD1-CG2 3.6Å; Y10-I76 HydrophobicContact CD2-CD1 4.4Å; Y10-I76 HydrophobicContact CE1-CG2 4.31Å; Y10-I76 HydrophobicContact CG-CD1 4.46Å; Y10-I76 HydrophobicContact CG-CG2 3.76Å; Y10-F79 HydrophobicContact CD1-CE1 4.39Å; Y10-F79 HydrophobicContact CE1-CD1 4.21Å; Y10-F79 AromaticContact CE1-CE1 3.45Å; Y10-F79 HydrophobicContact CE1-CE1 3.45Å; Y10-F79 VanDerWaalsContact CE1-CE1 3.45Å; Y10-F79 HydrophobicContact CE1-CE2 4.42Å; Y10-F79 AromaticContact CE1-CZ 3.58Å; Y10-F79 HydrophobicContact CE1-CZ 3.58Å
11T87.5Confident80.2Confident42 Ų4262.1 Ų62.126%0.25840%0.404SS..  trans-64.2135156.5-64.50000108.1I29 P77T11-I29 CarbonylContact C-O 3.51Å; T11-I29 VanDerWaalsContact CA-O 3.31Å; T11-I29 WeakPolarHBondContact CA-O 3.2Å; T11-I29 WeakPolarHBondContact CG2-O 3.32Å; T11-P77 HydrophobicContact CG2-CG 4.46Å; T11-P77 WeakPolarHBondContact O-CD 3.31Å
12M90.1Very high82.7Confident6 Ų655.2 Ų55.23%0.0337%0.372CS..EExtended strand (participates in β ladder)trans-112.3141.6-179.3-63.1-58.4-59.600109.6L7 S28 I29 L57 I76L7-M12 HydrophobicContact CB-SD 4.05Å; L7-M12 HydrophobicContact CD1-CE 4.33Å; L7-M12 HydrophobicContact CD2-CE 3.82Å; L7-M12 HydrophobicContact CD2-SD 3.88Å; L7-M12 HydrophobicContact CG-CE 4.5Å; L7-M12 HydrophobicContact CG-SD 4.45Å; M12-S28 CarbonylContact O-C 3.49Å; M12-S28 VanDerWaalsContact O-CA 3.23Å; M12-S28 WeakPolarHBondContact O-CA 3.37Å; M12-I29 HydrophobicContact CB-CG2 3.95Å; M12-I29 PolarHBondContact N-O 2.72Å; M12-I29 PolarHBondContact O-N 2.79Å; M12-L57 HydrophobicContact CB-CD1 3.53Å; M12-L57 HydrophobicContact CB-CD2 3.73Å; M12-L57 HydrophobicContact CB-CG 4.19Å; M12-L57 HydrophobicContact CE-CD2 4.08Å; M12-L57 HydrophobicContact CG-CD1 4.09Å; M12-L57 HydrophobicContact CG-CD2 4.49Å; M12-I76 HydrophobicContact CE-CG1 3.9Å; M12-I76 HydrophobicContact SD-CD1 4.24Å; M12-I76 HydrophobicContact SD-CG1 3.75Å
13N93Very high84.9Confident16 Ų1656.4 Ų56.49%0.08636%0.361CS..EExtended strand (participates in β ladder)trans-121.5151178.6-61.9-86.1000111.2W25 S27 S28 C74 A75 P77N13-W25 PolarHBondContact OD1-NE1 3.08Å; N13-S27 CarbonylContact C-O 3.47Å; N13-S27 VanDerWaalsContact CA-O 3.26Å; N13-S27 WeakPolarHBondContact CA-O 3.43Å; N13-S28 WeakPolarHBondContact OD1-CB 3.35Å; N13-C74 CarbonylContact O-C 3.52Å; N13-C74 VanDerWaalsContact O-CA 3.32Å; N13-C74 WeakPolarHBondContact O-CA 3.22Å; N13-A75 PolarHBondContact N-O 2.89Å; N13-A75 PolarHBondContact O-N 2.72Å; N13-P77 WeakPolarHBondContact ND2-CD 3.2Å
14W96.1Very high86.7Confident33 Ų3354.6 Ų54.613%0.12534%0.342CS..EExtended strand (participates in β ladder)trans-104.8136.6156.7-76.698.9000109.6V26 S27 L57 L59 Y73 C74W14-V26 HydrophobicContact CB-CB 3.99Å; W14-V26 HydrophobicContact CB-CG1 4.34Å; W14-V26 WeakPolarHBondContact O-CB 3.47Å; W14-V26 PolarHBondContact O-N 3.14Å; W14-S27 PolarHBondContact N-O 2.81Å; W14-S27 PolarHBondContact O-N 3.17Å; W14-L57 HydrophobicContact CZ2-CD2 4.3Å; W14-L57 VanDerWaalsContact NE1-CD2 3.35Å; W14-L59 HydrophobicContact CB-CD2 4.2Å; W14-L59 HydrophobicContact CD2-CB 4.04Å; W14-L59 HydrophobicContact CD2-CD2 4.08Å; W14-L59 HydrophobicContact CE3-CD2 4.48Å; W14-L59 HydrophobicContact CG-CB 4.15Å; W14-L59 HydrophobicContact CG-CD1 4.3Å; W14-L59 HydrophobicContact CG-CD2 3.93Å; W14-L59 HydrophobicContact CG-CG 4.37Å; W14-L59 HydrophobicContact CZ2-CB 4.14Å; W14-Y73 WeakPolarHBondContact CA-O 3.33Å; W14-Y73 VanDerWaalsContact CE3-C 3.46Å; W14-Y73 VanDerWaalsContact CE3-O 3.3Å; W14-C74 HydrophobicContact CD2-CB 4.49Å; W14-C74 HydrophobicContact CE3-CB 4.37Å; W14-C74 HydrophobicContact CH2-CB 4.17Å; W14-C74 HydrophobicContact CZ2-CB 4.28Å; W14-C74 HydrophobicContact CZ3-CB 4.21Å
15V96Very high88.4Confident7 Ų753 Ų534%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-130.6145.2175.2-178.90000106.8L23 E24 Y73 L94 W97V15-L23 HydrophobicContact CG1-CB 3.86Å; V15-L23 HydrophobicContact CG1-CD2 3.79Å; V15-L23 HydrophobicContact CG1-CG 4.39Å; V15-E24 CarbonylContact C-O 3.55Å; V15-E24 WeakPolarHBondContact CA-O 3.02Å; V15-E24 VanDerWaalsContact CG1-O 3.31Å; V15-E24 WeakPolarHBondContact CG1-O 3.33Å; V15-Y73 PolarHBondContact N-O 3.23Å; V15-Y73 PolarHBondContact O-N 3.42Å; V15-L94 HydrophobicContact CG2-CD1 3.98Å; V15-W97 HydrophobicContact CB-CH2 4.11Å; V15-W97 HydrophobicContact CB-CZ3 3.81Å; V15-W97 HydrophobicContact CG1-CH2 3.92Å; V15-W97 HydrophobicContact CG1-CZ3 3.96Å; V15-W97 HydrophobicContact CG2-CH2 4.14Å; V15-W97 HydrophobicContact CG2-CZ3 4.13Å
16R96.9Very high89.8Confident17 Ų1751.1 Ų51.16%0.06430%0.3CS..EExtended strand (participates in β ladder)trans-126.1154.3175.473-178.7-177.2-178.53.5111.7E24 V26 D68 A70 I71 Y72R16-E24 HydrophobicContact CG-CB 4.07Å; R16-E24 IonicContact CZ-OE2 3.87Å; R16-E24 PolarHBondContact N-O 3.17Å; R16-E24 IonicContact NE-OE2 2.81Å; R16-E24 PolarHBondContact NE-OE2 3.47Å; R16-E24 IonicContact NH2-OE2 3.17Å; R16-E24 PolarHBondContact NH2-OE2 3.15Å; R16-E24 PolarHBondContact O-N 3.14Å; R16-V26 HydrophobicContact CB-CG2 3.82Å; R16-V26 HydrophobicContact CG-CG2 3.63Å; R16-D68 IonicContact CZ-OD1 3.42Å; R16-D68 IonicContact NH1-OD1 3.77Å; R16-D68 PolarHBondContact NH1-OD1 3.34Å; R16-A70 HydrophobicContact CB-CB 3.89Å; R16-A70 HydrophobicContact CG-CB 4.25Å; R16-I71 CarbonylContact C-O 3.56Å; R16-I71 WeakPolarHBondContact CA-O 3.25Å; R16-Y72 HydrophobicContact CB-CD1 3.78Å; R16-Y72 HydrophobicContact CB-CD2 4.44Å; R16-Y72 HydrophobicContact CB-CE1 3.71Å; R16-Y72 HydrophobicContact CB-CE2 4.38Å; R16-Y72 HydrophobicContact CB-CG 4.15Å; R16-Y72 WeakPolarHBondContact CD-OH 3.48Å; R16-Y72 HydrophobicContact CG-CE1 4.34Å; R16-Y72 PolarHBondContact NH1-OH 2.83Å
17Q97.2Very high91Very high74 Ų7447.8 Ų47.835%0.34628%0.279SS..EExtended strand (participates in β ladder)trans-129.5109.1172-169.5175.523.700109.4K21 L23 A70 I71 Y73Q17-K21 WeakPolarHBondContact CG-O 3.34Å; Q17-K21 PolarHBondContact NE2-O 2.81Å; Q17-K21 VanDerWaalsContact NE2-O 3.11Å; Q17-L23 HydrophobicContact CB-CD2 4.12Å; Q17-A70 WeakPolarHBondContact O-CA 3.43Å; Q17-A70 WeakPolarHBondContact O-CB 3.38Å; Q17-I71 PolarHBondContact N-O 3.15Å; Q17-I71 PolarHBondContact O-N 2.89Å; Q17-Y73 HydrophobicContact CB-CE2 4.02Å
18A96.4Very high92Very high11 Ų1146.5 Ų46.59%0.09127%0.273CS..  trans-75.9154.3171.900000110.3G20 K21 A70A18-G20 PolarHBondContact O-N 2.96Å; A18-K21 HydrophobicContact CB-CB 4.2Å; A18-K21 HydrophobicContact CB-CD 4.03Å; A18-K21 HydrophobicContact CB-CG 4.15Å; A18-K21 PolarHBondContact O-N 2.96Å; A18-A70 HydrophobicContact CB-CB 4.36Å
19P94.4Very high92.9Very high109 Ų10945.3 Ų45.371%0.70826%0.264SS*.THydrogen-bonded Turntrans-52.5126.7176.2-2634.8000111.8K21P19-K21 PolarHBondContact O-N 3.12Å
20G94.3Very high93.4Very high93 Ų9340.7 Ų40.796%0.95924%0.24SC*.THydrogen-bonded Turntrans73.45.5-179.700000115.7A18A18-G20 PolarHBondContact O-N 2.96Å
21K92.6Very high93.6Very high118 Ų11843.1 Ų43.151%0.51325%0.253SS..  trans-110.2163.7176.7-61.3-162.8-175.5176.90112.7Q17 A18 P19Q17-K21 WeakPolarHBondContact CG-O 3.34Å; Q17-K21 PolarHBondContact NE2-O 2.81Å; Q17-K21 VanDerWaalsContact NE2-O 3.11Å; A18-K21 HydrophobicContact CB-CB 4.2Å; A18-K21 HydrophobicContact CB-CD 4.03Å; A18-K21 HydrophobicContact CB-CG 4.15Å; A18-K21 PolarHBondContact O-N 2.96Å; P19-K21 PolarHBondContact O-N 3.12Å
22G91.4Very high93.7Very high51 Ų5143.9 Ų43.953%0.52626%0.26SS..  trans-72.2179.1168.200000112.5
23L93.1Very high93.7Very high96 Ų9644.6 Ų44.650%0.50327%0.27SS..EExtended strand (participates in β ladder)trans-70128.4173.2-70.2163.3000110.3V15 Q17 Y73 W97V15-L23 HydrophobicContact CG1-CB 3.86Å; V15-L23 HydrophobicContact CG1-CD2 3.79Å; V15-L23 HydrophobicContact CG1-CG 4.39Å; Q17-L23 HydrophobicContact CB-CD2 4.12Å; L23-Y73 HydrophobicContact CD2-CD2 4.36Å; L23-Y73 HydrophobicContact CD2-CE2 4.32Å; L23-W97 HydrophobicContact CD1-CH2 3.72Å; L23-W97 HydrophobicContact CD1-CZ2 4.07Å; L23-W97 HydrophobicContact CD2-CH2 3.97Å; L23-W97 HydrophobicContact CD2-CZ3 4.1Å; L23-W97 HydrophobicContact CG-CH2 4.38Å
24E93.6Very high93.6Very high61 Ų6148.8 Ų48.829%0.28530%0.296SS..EExtended strand (participates in β ladder)trans-114.8123.4177.8-66.1179.8-179.500109.6V15 R16V15-E24 CarbonylContact C-O 3.55Å; V15-E24 WeakPolarHBondContact CA-O 3.02Å; V15-E24 VanDerWaalsContact CG1-O 3.31Å; V15-E24 WeakPolarHBondContact CG1-O 3.33Å; R16-E24 HydrophobicContact CG-CB 4.07Å; R16-E24 IonicContact CZ-OE2 3.87Å; R16-E24 PolarHBondContact N-O 3.17Å; R16-E24 IonicContact NE-OE2 2.81Å; R16-E24 PolarHBondContact NE-OE2 3.47Å; R16-E24 IonicContact NH2-OE2 3.17Å; R16-E24 PolarHBondContact NH2-OE2 3.15Å; R16-E24 PolarHBondContact O-N 3.14Å
25W94.6Very high93.4Very high52 Ų5252.8 Ų52.820%0.19732%0.316CS..EExtended strand (participates in β ladder)trans-67.8136.7172.9178.587000110.7N13 S27 H37 Y38 A39 F86N13-W25 PolarHBondContact OD1-NE1 3.08Å; W25-S27 PolarHBondContact NE1-O 2.77Å; W25-H37 HydrophobicContact CH2-CB 3.72Å; W25-H37 HydrophobicContact CZ2-CB 4.11Å; W25-Y38 VanDerWaalsContact CZ3-C 3.41Å; W25-A39 HydrophobicContact CE3-CB 3.85Å; W25-A39 HydrophobicContact CZ3-CB 3.93Å; W25-A39 WeakPolarHBondContact O-CB 3.33Å; W25-F86 HydrophobicContact CB-CE2 4.35Å; W25-F86 HydrophobicContact CB-CZ 4.18Å; W25-F86 HydrophobicContact CD2-CE2 4.46Å; W25-F86 HydrophobicContact CG-CE2 4.13Å; W25-F86 HydrophobicContact CG-CZ 4.22Å
26V96.3Very high93.4Very high0 Ų055.5 Ų55.50%033%0.329CS..EExtended strand (participates in β ladder)trans-109.2-52.9-174.5176.40000111W14 R16 A39 V42 F46 L59 Y72W14-V26 HydrophobicContact CB-CB 3.99Å; W14-V26 HydrophobicContact CB-CG1 4.34Å; W14-V26 WeakPolarHBondContact O-CB 3.47Å; W14-V26 PolarHBondContact O-N 3.14Å; R16-V26 HydrophobicContact CB-CG2 3.82Å; R16-V26 HydrophobicContact CG-CG2 3.63Å; V26-A39 PolarHBondContact O-N 2.87Å; V26-V42 HydrophobicContact CG1-CG1 4.24Å; V26-V42 HydrophobicContact CG1-CG2 3.94Å; V26-V42 WeakPolarHBondContact O-CG2 3.3Å; V26-F46 HydrophobicContact CG1-CD2 3.91Å; V26-F46 HydrophobicContact CG1-CE2 4.38Å; V26-L59 HydrophobicContact CG1-CD2 4.2Å; V26-Y72 HydrophobicContact CG2-CE1 4.25Å
27S96.2Very high93.3Very high0 Ų057.9 Ų57.90%034%0.341CS..EExtended strand (participates in β ladder)trans-163.4162.5-177.358.40000111.9N13 W14 W25 H37N13-S27 CarbonylContact C-O 3.47Å; N13-S27 VanDerWaalsContact CA-O 3.26Å; N13-S27 WeakPolarHBondContact CA-O 3.43Å; W14-S27 PolarHBondContact N-O 2.81Å; W14-S27 PolarHBondContact O-N 3.17Å; W25-S27 PolarHBondContact NE1-O 2.77Å; S27-H37 CarbonylContact C-O 3.6Å; S27-H37 WeakPolarHBondContact CA-O 3.49Å; S27-H37 VanDerWaalsContact CB-O 3.27Å; S27-H37 WeakPolarHBondContact CB-O 3.42Å
28S94.5Very high93.3Very high1 Ų157.2 Ų57.21%0.00734%0.336CS..EExtended strand (participates in β ladder)trans-138.7147.917470.10000111.8M12 N13 I36 H37M12-S28 CarbonylContact O-C 3.49Å; M12-S28 VanDerWaalsContact O-CA 3.23Å; M12-S28 WeakPolarHBondContact O-CA 3.37Å; N13-S28 WeakPolarHBondContact OD1-CB 3.35Å; S28-I36 WeakPolarHBondContact O-CA 3.31Å; S28-H37 PolarHBondContact N-O 2.89Å; S28-H37 PolarHBondContact O-N 3.23Å
29I93.4Very high93.2Very high4 Ų457.4 Ų57.42%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-133.6127.1172.5-173.9162000109.9T11 M12 H35 I36 I48 R50 L57T11-I29 CarbonylContact C-O 3.51Å; T11-I29 VanDerWaalsContact CA-O 3.31Å; T11-I29 WeakPolarHBondContact CA-O 3.2Å; T11-I29 WeakPolarHBondContact CG2-O 3.32Å; M12-I29 HydrophobicContact CB-CG2 3.95Å; M12-I29 PolarHBondContact N-O 2.72Å; M12-I29 PolarHBondContact O-N 2.79Å; I29-H35 WeakPolarHBondContact CA-O 3.33Å; I29-I36 HydrophobicContact CB-CG1 4.34Å; I29-I36 HydrophobicContact CD1-CD1 3.96Å; I29-I36 HydrophobicContact CD1-CG1 3.97Å; I29-I36 HydrophobicContact CG1-CD1 4.42Å; I29-I36 HydrophobicContact CG1-CG1 3.87Å; I29-I48 HydrophobicContact CB-CD1 3.84Å; I29-I48 HydrophobicContact CB-CG1 4.14Å; I29-I48 HydrophobicContact CB-CG2 4.14Å; I29-I48 HydrophobicContact CG2-CD1 3.5Å; I29-I48 HydrophobicContact CG2-CG1 3.86Å; I29-R50 HydrophobicContact CD1-CB 4.36Å; I29-R50 HydrophobicContact CD1-CG 3.8Å; I29-R50 HydrophobicContact CG1-CG 4.39Å; I29-L57 HydrophobicContact CG2-CD1 3.49Å; I29-L57 VanDerWaalsContact CG2-CD1 3.49Å
30S90.6Very high93.2Very high13 Ų1359.1 Ų59.19%0.09134%0.341CS..  trans-59.2162.9176.554.70000112.9S32 G33 T34 H35 R50S30-S32 PolarHBondContact O-N 3.38Å; S30-S32 PolarHBondContact OG-OG 2.81Å; S30-G33 PolarHBondContact O-N 2.87Å; S30-T34 PolarHBondContact OG-N 3.13Å; S30-H35 PolarHBondContact N-O 3.14Å; S30-H35 PolarHBondContact OG-N 2.93Å; S30-H35 PolarHBondContact OG-O 2.93Å; S30-R50 WeakPolarHBondContact O-CD 3.28Å; S30-R50 PolarHBondContact O-NH1 2.87Å
31H87.8Confident93.2Very high101 Ų10157.5 Ų57.547%0.46831%0.314SS..THydrogen-bonded Turntrans-54.7-36.8177.976.177.8000113.1S8 Y10 N52S8-H31 WeakPolarHBondContact O-CB 3.43Å; Y10-H31 WeakPolarHBondContact O-CA 3.43Å; H31-N52 PolarHBondContact O-ND2 2.85Å; H31-N52 VanDerWaalsContact O-ND2 3.17Å
32S88.8Confident93.4Very high58 Ų5851.9 Ų51.941%0.40629%0.29SS..THydrogen-bonded Turntrans-79.1-15.5176.558.30000113.9S30 T34S30-S32 PolarHBondContact O-N 3.38Å; S30-S32 PolarHBondContact OG-OG 2.81Å; S32-T34 VanDerWaalsContact C-N 3.26Å; S32-T34 PolarHBondContact O-N 2.86Å; S32-T34 PolarHBondContact OG-N 3.25Å; S32-T34 PolarHBondContact OG-OG1 2.66Å
33G91.1Very high93.6Very high22 Ų2256.2 Ų56.223%0.22729%0.294CS..SBendtrans80.2-2.2-173.200000115.2S30S30-G33 PolarHBondContact O-N 2.87Å
34T90.6Very high93.8Very high103 Ų10355.5 Ų55.563%0.63231%0.31SS*.  trans-86.3-31.3-171.157.90000113.8S30 S32S30-T34 PolarHBondContact OG-N 3.13Å; S32-T34 VanDerWaalsContact C-N 3.26Å; S32-T34 PolarHBondContact O-N 2.86Å; S32-T34 PolarHBondContact OG-N 3.25Å; S32-T34 PolarHBondContact OG-OG1 2.66Å
35H92.2Very high94Very high118 Ų11853.8 Ų53.855%0.54630%0.301SS..  trans-101.5122.5175.4-55.286.9000109.8I29 S30I29-H35 WeakPolarHBondContact CA-O 3.33Å; S30-H35 PolarHBondContact N-O 3.14Å; S30-H35 PolarHBondContact OG-N 2.93Å; S30-H35 PolarHBondContact OG-O 2.93Å
36I95.5Very high94.1Very high63 Ų6351.5 Ų51.532%0.32329%0.293SS..EExtended strand (participates in β ladder)trans-132.6135.6-177.3-61.8174.1000109.2S28 I29 Y38 I48S28-I36 WeakPolarHBondContact O-CA 3.31Å; I29-I36 HydrophobicContact CB-CG1 4.34Å; I29-I36 HydrophobicContact CD1-CD1 3.96Å; I29-I36 HydrophobicContact CD1-CG1 3.97Å; I29-I36 HydrophobicContact CG1-CD1 4.42Å; I29-I36 HydrophobicContact CG1-CG1 3.87Å; I36-Y38 HydrophobicContact CG2-CD2 4.16Å; I36-Y38 HydrophobicContact CG2-CE1 4.21Å; I36-Y38 HydrophobicContact CG2-CE2 3.39Å; I36-Y38 VanDerWaalsContact CG2-CZ 3.42Å; I36-Y38 WeakPolarHBondContact CG2-OH 3.33Å; I36-I48 HydrophobicContact CG1-CG2 4.5Å; I36-I48 HydrophobicContact CG2-CG2 3.34Å
37H95.2Very high94.2Very high68 Ų6854.4 Ų54.432%0.31531%0.31SS..EExtended strand (participates in β ladder)trans-132.9150.3177.3-57.3-100.8000110.1W25 S27 S28 Y84W25-H37 HydrophobicContact CH2-CB 3.72Å; W25-H37 HydrophobicContact CZ2-CB 4.11Å; S27-H37 CarbonylContact C-O 3.6Å; S27-H37 WeakPolarHBondContact CA-O 3.49Å; S27-H37 VanDerWaalsContact CB-O 3.27Å; S27-H37 WeakPolarHBondContact CB-O 3.42Å; S28-H37 PolarHBondContact N-O 2.89Å; S28-H37 PolarHBondContact O-N 3.23Å; H37-Y84 HydrophobicContact CB-CE1 4.48Å; H37-Y84 AromaticContact CD2-CE2 3.88Å; H37-Y84 AromaticContact CD2-CZ 3.38Å; H37-Y84 PolarHBondContact CD2-OH 2.94Å; H37-Y84 AromaticContact CE1-CE2 3.33Å; H37-Y84 WeakPolarHBondContact CE1-CE2 3.14Å; H37-Y84 AromaticContact CE1-CZ 3.69Å; H37-Y84 AromaticContact CG-CE2 3.95Å; H37-Y84 AromaticContact CG-CZ 3.57Å; H37-Y84 AromaticContact ND1-CE2 3.64Å; H37-Y84 AromaticContact ND1-CZ 3.77Å; H37-Y84 AromaticContact NE2-CE2 3.46Å; H37-Y84 WeakPolarHBondContact NE2-CE2 3.02Å; H37-Y84 AromaticContact NE2-CZ 3.43Å; H37-Y84 PolarHBondContact NE2-OH 3.31Å
38Y95.9Very high94.3Very high59 Ų5954.5 Ų54.523%0.23131%0.311CS..EExtended strand (participates in β ladder)trans-133.6144.8-178.7-61.4-79.6000109.5W25 I36 F46 T47 I48W25-Y38 VanDerWaalsContact CZ3-C 3.41Å; I36-Y38 HydrophobicContact CG2-CD2 4.16Å; I36-Y38 HydrophobicContact CG2-CE1 4.21Å; I36-Y38 HydrophobicContact CG2-CE2 3.39Å; I36-Y38 VanDerWaalsContact CG2-CZ 3.42Å; I36-Y38 WeakPolarHBondContact CG2-OH 3.33Å; Y38-F46 WeakPolarHBondContact CE1-O 3.38Å; Y38-T47 WeakPolarHBondContact OH-CA 3.37Å; Y38-I48 HydrophobicContact CE1-CB 4.32Å; Y38-I48 HydrophobicContact CE1-CG2 3.84Å; Y38-I48 PolarHBondContact OH-N 2.87Å; Y38-I48 VanDerWaalsContact OH-N 3.13Å
39A94.8Very high94.4Very high16 Ų1657 Ų5713%0.13233%0.329CS..  trans-67.9147.6166.800000109.8W25 V26 S41 V42 K43W25-A39 HydrophobicContact CE3-CB 3.85Å; W25-A39 HydrophobicContact CZ3-CB 3.93Å; W25-A39 WeakPolarHBondContact O-CB 3.33Å; V26-A39 PolarHBondContact O-N 2.87Å; A39-S41 PolarHBondContact O-N 3.22Å; A39-S41 VanDerWaalsContact O-N 3.13Å; A39-V42 HydrophobicContact CB-CG2 4.28Å; A39-V42 WeakPolarHBondContact O-CG2 3.39Å; A39-V42 PolarHBondContact O-N 3.13Å; A39-K43 PolarHBondContact O-N 3.02Å
40D95.6Very high94.5Very high145 Ų14558.7 Ų58.778%0.77534%0.335SS*.THydrogen-bonded Turntrans-59.1-30-178.6-68.1-33.6000112.5V42D40-V42 PolarHBondContact O-N 3.01Å
41S93.9Very high94.6Very high58 Ų5860.2 Ų60.241%0.40634%0.342SS..THydrogen-bonded Turntrans-62.2-23.3176.957.40000114.3A39 R45A39-S41 PolarHBondContact O-N 3.22Å; A39-S41 VanDerWaalsContact O-N 3.13Å; S41-R45 PolarHBondContact O-NH2 2.83Å
42V96.4Very high94.6Very high0 Ų058.5 Ų58.50%034%0.336CS..THydrogen-bonded Turntrans-124.2-5.9-174.8-58.40000113.6V26 A39 D40 G44 R45 F46V26-V42 HydrophobicContact CG1-CG1 4.24Å; V26-V42 HydrophobicContact CG1-CG2 3.94Å; V26-V42 WeakPolarHBondContact O-CG2 3.3Å; A39-V42 HydrophobicContact CB-CG2 4.28Å; A39-V42 WeakPolarHBondContact O-CG2 3.39Å; A39-V42 PolarHBondContact O-N 3.13Å; D40-V42 PolarHBondContact O-N 3.01Å; V42-G44 PolarHBondContact O-N 2.88Å; V42-R45 PolarHBondContact O-N 2.85Å; V42-F46 HydrophobicContact CB-CB 4.09Å; V42-F46 HydrophobicContact CB-CD1 4.41Å; V42-F46 HydrophobicContact CB-CD2 3.6Å; V42-F46 HydrophobicContact CB-CE2 4.06Å; V42-F46 HydrophobicContact CB-CG 3.79Å; V42-F46 HydrophobicContact CG1-CD2 3.55Å; V42-F46 HydrophobicContact CG1-CE2 3.49Å; V42-F46 VanDerWaalsContact CG1-CE2 3.49Å; V42-F46 HydrophobicContact CG1-CG 4.18Å; V42-F46 HydrophobicContact CG1-CZ 4.06Å; V42-F46 HydrophobicContact CG2-CB 4.42Å; V42-F46 HydrophobicContact CG2-CD2 4.22Å; V42-F46 PolarHBondContact O-N 2.88Å
43K95.4Very high94.7Very high142 Ų14260.6 Ų60.662%0.61736%0.357SS*.THydrogen-bonded Turntrans-57.4129.5-178.9-167174.3-174.7177.10110.7A39 R45A39-K43 PolarHBondContact O-N 3.02Å; K43-R45 PolarHBondContact O-N 2.99Å
44G96.8Very high94.6Very high81 Ų8166.1 Ų66.184%0.83538%0.375SS*.THydrogen-bonded Turntrans79.2-3.6-17700000115.2V42V42-G44 PolarHBondContact O-N 2.88Å
45R97.9Very high94.4Very high26 Ų2664.4 Ų64.410%0.09836%0.361CS..THydrogen-bonded Turntrans-112.2-42176.7-58.7-167.4-57.6120-0.5111.6S41 V42 K43 N62 S63 D68S41-R45 PolarHBondContact O-NH2 2.83Å; V42-R45 PolarHBondContact O-N 2.85Å; K43-R45 PolarHBondContact O-N 2.99Å; R45-N62 WeakPolarHBondContact CB-O 3.31Å; R45-N62 WeakPolarHBondContact O-CA 3.48Å; R45-N62 VanDerWaalsContact O-CB 3.31Å; R45-N62 WeakPolarHBondContact O-CB 3.29Å; R45-N62 PolarHBondContact O-N 2.95Å; R45-S63 PolarHBondContact NH1-O 3.11Å; R45-D68 IonicContact CZ-OD1 3.78Å; R45-D68 IonicContact CZ-OD2 3.41Å; R45-D68 IonicContact NH1-OD1 3.76Å; R45-D68 IonicContact NH1-OD2 2.66Å; R45-D68 PolarHBondContact NH1-OD2 2.95Å; R45-D68 IonicContact NH2-OD1 2.86Å; R45-D68 PolarHBondContact NH2-OD1 3.33Å; R45-D68 IonicContact NH2-OD2 3.25Å; R45-D68 PolarHBondContact NH2-OD2 3.08Å
46F98.1Very high94.3Very high3 Ų360.6 Ų60.61%0.01335%0.348CS..EExtended strand (participates in β ladder)trans-105.2148.5-177.7-63.55.5000110.8V26 Y38 V42 L59 Q60 M61 L64 D68 Y72V26-F46 HydrophobicContact CG1-CD2 3.91Å; V26-F46 HydrophobicContact CG1-CE2 4.38Å; Y38-F46 WeakPolarHBondContact CE1-O 3.38Å; V42-F46 HydrophobicContact CB-CB 4.09Å; V42-F46 HydrophobicContact CB-CD1 4.41Å; V42-F46 HydrophobicContact CB-CD2 3.6Å; V42-F46 HydrophobicContact CB-CE2 4.06Å; V42-F46 HydrophobicContact CB-CG 3.79Å; V42-F46 HydrophobicContact CG1-CD2 3.55Å; V42-F46 HydrophobicContact CG1-CE2 3.49Å; V42-F46 VanDerWaalsContact CG1-CE2 3.49Å; V42-F46 HydrophobicContact CG1-CG 4.18Å; V42-F46 HydrophobicContact CG1-CZ 4.06Å; V42-F46 HydrophobicContact CG2-CB 4.42Å; V42-F46 HydrophobicContact CG2-CD2 4.22Å; V42-F46 PolarHBondContact O-N 2.88Å; F46-L59 HydrophobicContact CB-CD1 4.19Å; F46-L59 HydrophobicContact CD2-CD1 4.45Å; F46-L59 HydrophobicContact CD2-CD2 4.22Å; F46-L59 HydrophobicContact CD2-CG 4.49Å; F46-Q60 CarbonylContact C-O 3.54Å; F46-Q60 VanDerWaalsContact CA-O 3.25Å; F46-Q60 WeakPolarHBondContact CA-O 3.33Å; F46-M61 HydrophobicContact CD1-CB 3.86Å; F46-M61 HydrophobicContact CD1-CG 4.04Å; F46-M61 HydrophobicContact CD2-CG 3.97Å; F46-M61 HydrophobicContact CE1-CB 3.77Å; F46-M61 HydrophobicContact CE1-CG 4.03Å; F46-M61 HydrophobicContact CE2-CG 3.92Å; F46-M61 HydrophobicContact CE2-SD 4.2Å; F46-M61 HydrophobicContact CG-CB 4.35Å; F46-M61 HydrophobicContact CG-CG 4.04Å; F46-M61 HydrophobicContact CZ-CB 4.13Å; F46-M61 HydrophobicContact CZ-CG 3.98Å; F46-M61 HydrophobicContact CZ-SD 4.28Å; F46-L64 HydrophobicContact CE1-CD2 3.79Å; F46-L64 HydrophobicContact CZ-CD2 3.69Å; F46-D68 HydrophobicContact CZ-CB 4.28Å; F46-Y72 HydrophobicContact CE2-CE1 4.17Å
47T98.2Very high94.2Very high61 Ų6159 Ų5937%0.37434%0.34SS..EExtended strand (participates in β ladder)trans-129.8121.2177.2-56.10000109.3Y38 Q60Y38-T47 WeakPolarHBondContact OH-CA 3.37Å; T47-Q60 PolarHBondContact N-O 2.82Å; T47-Q60 PolarHBondContact O-N 2.83Å
48I97.8Very high94.3Very high3 Ų360.5 Ų60.52%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-92.8138.3172.9-171176000109.4I29 I36 Y38 L57 Y58 L59I29-I48 HydrophobicContact CB-CD1 3.84Å; I29-I48 HydrophobicContact CB-CG1 4.14Å; I29-I48 HydrophobicContact CB-CG2 4.14Å; I29-I48 HydrophobicContact CG2-CD1 3.5Å; I29-I48 HydrophobicContact CG2-CG1 3.86Å; I36-I48 HydrophobicContact CG1-CG2 4.5Å; I36-I48 HydrophobicContact CG2-CG2 3.34Å; Y38-I48 HydrophobicContact CE1-CB 4.32Å; Y38-I48 HydrophobicContact CE1-CG2 3.84Å; Y38-I48 PolarHBondContact OH-N 2.87Å; Y38-I48 VanDerWaalsContact OH-N 3.13Å; I48-L57 HydrophobicContact CD1-CD1 4.07Å; I48-L57 HydrophobicContact CG1-CD1 4.07Å; I48-Y58 WeakPolarHBondContact CA-O 3.44Å; I48-Y58 WeakPolarHBondContact CG1-O 3.46Å; I48-L59 HydrophobicContact CB-CD1 4.33Å
49S96.7Very high94.4Very high54 Ų5458.9 Ų58.938%0.37834%0.339SS..EExtended strand (participates in β ladder)trans-147166.6174.866.90000110.8Y58S49-Y58 PolarHBondContact N-O 3.05Å; S49-Y58 PolarHBondContact O-N 2.86Å
50R94.4Very high94.6Very high39 Ų3963.4 Ų63.415%0.14736%0.358CS..EExtended strand (participates in β ladder)trans-144.5150-177.565.2-176-65.3148.89.3111.3L7 Y10 I29 S30 N52 S56 L57L7-R50 PolarHBondContact O-NH2 3.13Å; Y10-R50 PolarHBondContact O-NH1 2.84Å; I29-R50 HydrophobicContact CD1-CB 4.36Å; I29-R50 HydrophobicContact CD1-CG 3.8Å; I29-R50 HydrophobicContact CG1-CG 4.39Å; S30-R50 WeakPolarHBondContact O-CD 3.28Å; S30-R50 PolarHBondContact O-NH1 2.87Å; R50-N52 PolarHBondContact NE-OD1 2.94Å; R50-N52 PolarHBondContact NH2-OD1 3.23Å; R50-S56 CarbonylContact C-O 3.56Å; R50-S56 WeakPolarHBondContact CA-O 3.34Å; R50-L57 HydrophobicContact CB-CD1 4.22Å
51D92.6Very high94.7Very high44 Ų4459.1 Ų59.124%0.23533%0.333CS..EExtended strand (participates in β ladder)trans-121.2106.4169.2-176.1-25.2000108.1A53 K54 N55 S56 Y58D51-A53 WeakPolarHBondContact OD1-CB 3.23Å; D51-A53 PolarHBondContact OD1-N 3.33Å; D51-K54 HydrophobicContact CB-CB 4.16Å; D51-K54 CarbonylContact O-C 3.59Å; D51-K54 PolarHBondContact O-N 2.91Å; D51-K54 PolarHBondContact OD1-N 3.02Å; D51-K54 WeakPolarHBondContact OD2-CD 3.41Å; D51-K54 WeakPolarHBondContact OD2-CE 3.32Å; D51-K54 WeakPolarHBondContact OD2-CG 3.43Å; D51-K54 IonicContact OD2-NZ 3.33Å; D51-K54 PolarHBondContact OD2-NZ 2.86Å; D51-N55 PolarHBondContact O-N 2.97Å; D51-S56 PolarHBondContact N-O 2.85Å; D51-S56 PolarHBondContact O-N 2.72Å; D51-Y58 HydrophobicContact CB-CE2 3.98Å
52N89.4Confident94.8Very high66 Ų6659.7 Ų59.735%0.35333%0.332SS..THydrogen-bonded Turntrans-71.4-31-177.7-78.2-15.5000112.8H31 R50 K54 N55H31-N52 PolarHBondContact O-ND2 2.85Å; H31-N52 VanDerWaalsContact O-ND2 3.17Å; R50-N52 PolarHBondContact NE-OD1 2.94Å; R50-N52 PolarHBondContact NH2-OD1 3.23Å; N52-K54 VanDerWaalsContact C-N 3.27Å; N52-K54 PolarHBondContact O-N 2.88Å; N52-N55 PolarHBondContact O-N 3.39Å
53A89.3Confident94.8Very high102 Ų10264.2 Ų64.284%0.84336%0.364SS*.THydrogen-bonded Turntrans-68.2-33176.800000110.9D51D51-A53 WeakPolarHBondContact OD1-CB 3.23Å; D51-A53 PolarHBondContact OD1-N 3.33Å
54K89.7Confident94.9Very high138 Ų13860.6 Ų60.660%0.635%0.351SS*.THydrogen-bonded Turntrans-95.93.1177.9-61.9-178.1-166.7155.10114.6D51 N52 S56D51-K54 HydrophobicContact CB-CB 4.16Å; D51-K54 CarbonylContact O-C 3.59Å; D51-K54 PolarHBondContact O-N 2.91Å; D51-K54 PolarHBondContact OD1-N 3.02Å; D51-K54 WeakPolarHBondContact OD2-CD 3.41Å; D51-K54 WeakPolarHBondContact OD2-CE 3.32Å; D51-K54 WeakPolarHBondContact OD2-CG 3.43Å; D51-K54 IonicContact OD2-NZ 3.33Å; D51-K54 PolarHBondContact OD2-NZ 2.86Å; N52-K54 VanDerWaalsContact C-N 3.27Å; N52-K54 PolarHBondContact O-N 2.88Å; K54-S56 PolarHBondContact O-N 3.35Å; K54-S56 PolarHBondContact O-OG 2.88Å
55N86Confident94.8Very high66 Ų6663.6 Ų63.635%0.35334%0.337SS..THydrogen-bonded Turntrans48.545.7-175.2-155.138.7000112.1L5 L7 D51 N52L5-N55 PolarHBondContact O-ND2 3.36Å; L5-N55 VanDerWaalsContact O-ND2 3.13Å; L7-N55 WeakPolarHBondContact CA-OD1 3.26Å; L7-N55 WeakPolarHBondContact CB-OD1 3.16Å; L7-N55 WeakPolarHBondContact CD1-O 2.94Å; L7-N55 WeakPolarHBondContact CG-OD1 3.27Å; L7-N55 PolarHBondContact N-OD1 2.87Å; D51-N55 PolarHBondContact O-N 2.97Å; N52-N55 PolarHBondContact O-N 3.39Å
56S90.8Very high94.7Very high39 Ų3965 Ų6527%0.27335%0.354SS..EExtended strand (participates in β ladder)trans-125.2142-170.6-67.20000112.3R50 D51 K54 Y58R50-S56 CarbonylContact C-O 3.56Å; R50-S56 WeakPolarHBondContact CA-O 3.34Å; D51-S56 PolarHBondContact N-O 2.85Å; D51-S56 PolarHBondContact O-N 2.72Å; K54-S56 PolarHBondContact O-N 3.35Å; K54-S56 PolarHBondContact O-OG 2.88Å; S56-Y58 VanDerWaalsContact CB-OH 3.26Å; S56-Y58 WeakPolarHBondContact CB-OH 3.17Å
57L94.2Very high94.6Very high28 Ų2871.2 Ų71.215%0.14738%0.383CS..EExtended strand (participates in β ladder)trans-119.3136.4175.5-175.173.6000109.1M12 W14 I29 I48 R50 C74M12-L57 HydrophobicContact CB-CD1 3.53Å; M12-L57 HydrophobicContact CB-CD2 3.73Å; M12-L57 HydrophobicContact CB-CG 4.19Å; M12-L57 HydrophobicContact CE-CD2 4.08Å; M12-L57 HydrophobicContact CG-CD1 4.09Å; M12-L57 HydrophobicContact CG-CD2 4.49Å; W14-L57 HydrophobicContact CZ2-CD2 4.3Å; W14-L57 VanDerWaalsContact NE1-CD2 3.35Å; I29-L57 HydrophobicContact CG2-CD1 3.49Å; I29-L57 VanDerWaalsContact CG2-CD1 3.49Å; I48-L57 HydrophobicContact CD1-CD1 4.07Å; I48-L57 HydrophobicContact CG1-CD1 4.07Å; R50-L57 HydrophobicContact CB-CD1 4.22Å; L57-C74 HydrophobicContact CD2-CB 3.91Å
58Y96.8Very high94.5Very high100 Ų10068.4 Ų68.439%0.39237%0.366SS..EExtended strand (participates in β ladder)trans-125.4146.9-177.7-53.1-80000110.9I48 S49 D51 S56I48-Y58 WeakPolarHBondContact CA-O 3.44Å; I48-Y58 WeakPolarHBondContact CG1-O 3.46Å; S49-Y58 PolarHBondContact N-O 3.05Å; S49-Y58 PolarHBondContact O-N 2.86Å; D51-Y58 HydrophobicContact CB-CE2 3.98Å; S56-Y58 VanDerWaalsContact CB-OH 3.26Å; S56-Y58 WeakPolarHBondContact CB-OH 3.17Å
59L98.1Very high94.6Very high25 Ų2569.7 Ų69.713%0.13137%0.374CS..EExtended strand (participates in β ladder)trans-127.5104.9168-172.266.8000107.9W14 V26 F46 I48 M61 Y72W14-L59 HydrophobicContact CB-CD2 4.2Å; W14-L59 HydrophobicContact CD2-CB 4.04Å; W14-L59 HydrophobicContact CD2-CD2 4.08Å; W14-L59 HydrophobicContact CE3-CD2 4.48Å; W14-L59 HydrophobicContact CG-CB 4.15Å; W14-L59 HydrophobicContact CG-CD1 4.3Å; W14-L59 HydrophobicContact CG-CD2 3.93Å; W14-L59 HydrophobicContact CG-CG 4.37Å; W14-L59 HydrophobicContact CZ2-CB 4.14Å; V26-L59 HydrophobicContact CG1-CD2 4.2Å; F46-L59 HydrophobicContact CB-CD1 4.19Å; F46-L59 HydrophobicContact CD2-CD1 4.45Å; F46-L59 HydrophobicContact CD2-CD2 4.22Å; F46-L59 HydrophobicContact CD2-CG 4.49Å; I48-L59 HydrophobicContact CB-CD1 4.33Å; L59-M61 HydrophobicContact CD2-CG 4.04Å; L59-M61 HydrophobicContact CD2-SD 4.15Å; L59-M61 HydrophobicContact CG-CG 3.95Å; L59-Y72 HydrophobicContact CD2-CD1 3.99Å; L59-Y72 HydrophobicContact CD2-CE1 4.25Å
60Q98.4Very high94.6Very high112 Ų11267.2 Ų67.252%0.52336%0.356SS..EExtended strand (participates in β ladder)trans-81.2125169.2-177.2175.7-5.200108.4F46 T47 N62F46-Q60 CarbonylContact C-O 3.54Å; F46-Q60 VanDerWaalsContact CA-O 3.25Å; F46-Q60 WeakPolarHBondContact CA-O 3.33Å; T47-Q60 PolarHBondContact N-O 2.82Å; T47-Q60 PolarHBondContact O-N 2.83Å; Q60-N62 PolarHBondContact NE2-ND2 3.2Å; Q60-N62 PolarHBondContact NE2-OD1 2.9Å
61M97.8Very high94.8Very high54 Ų5468.3 Ų68.327%0.26636%0.364SS..EExtended strand (participates in β ladder)trans-114.1105.4-178.3-61.2175.4-73.700108.9F46 L59 L64 Y72 V103F46-M61 HydrophobicContact CD1-CB 3.86Å; F46-M61 HydrophobicContact CD1-CG 4.04Å; F46-M61 HydrophobicContact CD2-CG 3.97Å; F46-M61 HydrophobicContact CE1-CB 3.77Å; F46-M61 HydrophobicContact CE1-CG 4.03Å; F46-M61 HydrophobicContact CE2-CG 3.92Å; F46-M61 HydrophobicContact CE2-SD 4.2Å; F46-M61 HydrophobicContact CG-CB 4.35Å; F46-M61 HydrophobicContact CG-CG 4.04Å; F46-M61 HydrophobicContact CZ-CB 4.13Å; F46-M61 HydrophobicContact CZ-CG 3.98Å; F46-M61 HydrophobicContact CZ-SD 4.28Å; L59-M61 HydrophobicContact CD2-CG 4.04Å; L59-M61 HydrophobicContact CD2-SD 4.15Å; L59-M61 HydrophobicContact CG-CG 3.95Å; M61-L64 HydrophobicContact CB-CD1 4.14Å; M61-L64 HydrophobicContact CB-CD2 3.91Å; M61-L64 HydrophobicContact CB-CG 4.01Å; M61-L64 HydrophobicContact SD-CD2 4.28Å; M61-Y72 HydrophobicContact SD-CE1 4.25Å; M61-V103 HydrophobicContact CE-CG1 4.24Å; M61-V103 HydrophobicContact CE-CG2 3.95Å
62N96.8Very high95.1Very high70 Ų7066.4 Ų66.437%0.37435%0.354SS..  trans-102.2157.8174.4-54.7-49.8000109.9R45 Q60 L64R45-N62 WeakPolarHBondContact CB-O 3.31Å; R45-N62 WeakPolarHBondContact O-CA 3.48Å; R45-N62 VanDerWaalsContact O-CB 3.31Å; R45-N62 WeakPolarHBondContact O-CB 3.29Å; R45-N62 PolarHBondContact O-N 2.95Å; Q60-N62 PolarHBondContact NE2-ND2 3.2Å; Q60-N62 PolarHBondContact NE2-OD1 2.9Å; N62-L64 VanDerWaalsContact C-N 3.26Å; N62-L64 PolarHBondContact O-N 3.17Å
63S95.9Very high95.4Very high96 Ų9665 Ų6567%0.67134%0.344SS*.SBendtrans50.546.7176.8-540000112.8R45R45-S63 PolarHBondContact NH1-O 3.11Å
64L96.5Very high95.7Very high65 Ų6562.1 Ų62.134%0.3432%0.317SS..  trans-61.1144.8177.3-81.5168.7000110.9F46 M61 N62 D68 V105F46-L64 HydrophobicContact CE1-CD2 3.79Å; F46-L64 HydrophobicContact CZ-CD2 3.69Å; M61-L64 HydrophobicContact CB-CD1 4.14Å; M61-L64 HydrophobicContact CB-CD2 3.91Å; M61-L64 HydrophobicContact CB-CG 4.01Å; M61-L64 HydrophobicContact SD-CD2 4.28Å; N62-L64 VanDerWaalsContact C-N 3.26Å; N62-L64 PolarHBondContact O-N 3.17Å; L64-D68 HydrophobicContact CD2-CB 3.67Å; L64-V105 HydrophobicContact CB-CG1 4.22Å; L64-V105 HydrophobicContact CB-CG2 3.98Å; L64-V105 HydrophobicContact CD1-CG2 4.12Å; L64-V105 HydrophobicContact CD2-CG2 4.17Å; L64-V105 HydrophobicContact CG-CG2 4.33Å
65R96.1Very high95.7Very high145 Ų14555.6 Ų55.655%0.54729%0.289SS..  trans-124.6164.4176.7-53.1176.2-179.9170.6-1.4109.9E67 D68 V105R65-E67 WeakPolarHBondContact CB-OE2 3.48Å; R65-E67 PolarHBondContact O-N 2.71Å; R65-E67 VanDerWaalsContact O-N 3.14Å; R65-D68 PolarHBondContact N-OD2 3.08Å; R65-D68 WeakPolarHBondContact O-CB 3.38Å; R65-D68 PolarHBondContact O-N 3.13Å; R65-V105 WeakPolarHBondContact O-CB 3.13Å; R65-V105 WeakPolarHBondContact O-CG1 3.21Å
66A96.1Very high95.7Very high55 Ų5552.8 Ų52.846%0.45527%0.274SS..G310 helixtrans-55.4-34.1178.800000112.1D68 T69A66-D68 PolarHBondContact O-N 2.98Å; A66-T69 WeakPolarHBondContact O-CB 3.23Å; A66-T69 PolarHBondContact O-N 3.13Å; A66-T69 VanDerWaalsContact O-N 3.17Å; A66-T69 PolarHBondContact O-OG1 3.25Å; A66-T69 VanDerWaalsContact O-OG1 3.08Å
67E94.9Very high94.7Very high133 Ų13352.8 Ų52.862%0.62127%0.273SS*.G310 helixtrans-70.3-11.8179.2-50.977.4-157.200113.8R65 T69R65-E67 WeakPolarHBondContact CB-OE2 3.48Å; R65-E67 PolarHBondContact O-N 2.71Å; R65-E67 VanDerWaalsContact O-N 3.14Å; E67-T69 VanDerWaalsContact C-N 3.27Å
68D97.2Very high92.9Very high2 Ų253.9 Ų53.91%0.01128%0.282CS..G310 helixtrans-83.9-2.7174.7-61.3-52.3000112.9R16 R45 F46 L64 R65 A66 A70 Y72R16-D68 IonicContact CZ-OD1 3.42Å; R16-D68 IonicContact NH1-OD1 3.77Å; R16-D68 PolarHBondContact NH1-OD1 3.34Å; R45-D68 IonicContact CZ-OD1 3.78Å; R45-D68 IonicContact CZ-OD2 3.41Å; R45-D68 IonicContact NH1-OD1 3.76Å; R45-D68 IonicContact NH1-OD2 2.66Å; R45-D68 PolarHBondContact NH1-OD2 2.95Å; R45-D68 IonicContact NH2-OD1 2.86Å; R45-D68 PolarHBondContact NH2-OD1 3.33Å; R45-D68 IonicContact NH2-OD2 3.25Å; R45-D68 PolarHBondContact NH2-OD2 3.08Å; F46-D68 HydrophobicContact CZ-CB 4.28Å; L64-D68 HydrophobicContact CD2-CB 3.67Å; R65-D68 PolarHBondContact N-OD2 3.08Å; R65-D68 WeakPolarHBondContact O-CB 3.38Å; R65-D68 PolarHBondContact O-N 3.13Å; A66-D68 PolarHBondContact O-N 2.98Å; D68-A70 PolarHBondContact O-N 3.08Å; D68-A70 VanDerWaalsContact O-N 3.14Å; D68-Y72 WeakPolarHBondContact O-CE2 3.46Å; D68-Y72 PolarHBondContact O-OH 2.73Å
69T98Very high91Very high31 Ų3155.2 Ų55.219%0.1929%0.29CS..  trans-62.1112.6173.9-650000110.6A66 E67 V103 T104 V105A66-T69 WeakPolarHBondContact O-CB 3.23Å; A66-T69 PolarHBondContact O-N 3.13Å; A66-T69 VanDerWaalsContact O-N 3.17Å; A66-T69 PolarHBondContact O-OG1 3.25Å; A66-T69 VanDerWaalsContact O-OG1 3.08Å; E67-T69 VanDerWaalsContact C-N 3.27Å; T69-V103 WeakPolarHBondContact CA-O 3.45Å; T69-T104 HydrophobicContact CG2-CG2 4.39Å; T69-V105 PolarHBondContact OG1-N 2.75Å; T69-V105 PolarHBondContact OG1-O 2.76Å; T69-V105 VanDerWaalsContact OG1-O 3.13Å
70A98.2Very high88.8Confident1 Ų162.8 Ų62.81%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-165.4165.3-175.500000111R16 Q17 A18 D68 Y72 V103R16-A70 HydrophobicContact CB-CB 3.89Å; R16-A70 HydrophobicContact CG-CB 4.25Å; Q17-A70 WeakPolarHBondContact O-CA 3.43Å; Q17-A70 WeakPolarHBondContact O-CB 3.38Å; A18-A70 HydrophobicContact CB-CB 4.36Å; D68-A70 PolarHBondContact O-N 3.08Å; D68-A70 VanDerWaalsContact O-N 3.14Å; A70-Y72 HydrophobicContact CB-CD2 4.27Å; A70-Y72 HydrophobicContact CB-CE2 3.77Å; A70-Y72 WeakPolarHBondContact O-CD2 3.49Å; A70-V103 PolarHBondContact N-O 3.33Å; A70-V103 VanDerWaalsContact N-O 3.12Å; A70-V103 PolarHBondContact O-N 3.03Å
71I98.4Very high86.7Confident62 Ų6262.9 Ų62.932%0.31834%0.335SS..EExtended strand (participates in β ladder)trans-83.2126.3161.8-54.6174.2000107.8R16 Q17 Y73 T101 L102R16-I71 CarbonylContact C-O 3.56Å; R16-I71 WeakPolarHBondContact CA-O 3.25Å; Q17-I71 PolarHBondContact N-O 3.15Å; Q17-I71 PolarHBondContact O-N 2.89Å; I71-Y73 HydrophobicContact CB-CE2 3.79Å; I71-Y73 HydrophobicContact CG2-CD1 4.44Å; I71-Y73 HydrophobicContact CG2-CD2 4.28Å; I71-Y73 HydrophobicContact CG2-CE1 3.77Å; I71-Y73 HydrophobicContact CG2-CE2 3.58Å; I71-Y73 WeakPolarHBondContact CG2-OH 3.44Å; I71-Y73 WeakPolarHBondContact O-CE2 3.41Å; I71-T101 CarbonylContact C-O 3.53Å; I71-T101 WeakPolarHBondContact CA-O 3.45Å; I71-L102 HydrophobicContact CG1-CB 4.5Å; I71-L102 HydrophobicContact CG1-CD1 4.12Å
72Y98.2Very high84.1Confident4 Ų464 Ų642%0.01636%0.36CS..EExtended strand (participates in β ladder)trans-104.3128.5179.4-73.3-101.3000110.4R16 V26 F46 L59 M61 D68 A70 G100 T101 V103R16-Y72 HydrophobicContact CB-CD1 3.78Å; R16-Y72 HydrophobicContact CB-CD2 4.44Å; R16-Y72 HydrophobicContact CB-CE1 3.71Å; R16-Y72 HydrophobicContact CB-CE2 4.38Å; R16-Y72 HydrophobicContact CB-CG 4.15Å; R16-Y72 WeakPolarHBondContact CD-OH 3.48Å; R16-Y72 HydrophobicContact CG-CE1 4.34Å; R16-Y72 PolarHBondContact NH1-OH 2.83Å; V26-Y72 HydrophobicContact CG2-CE1 4.25Å; F46-Y72 HydrophobicContact CE2-CE1 4.17Å; L59-Y72 HydrophobicContact CD2-CD1 3.99Å; L59-Y72 HydrophobicContact CD2-CE1 4.25Å; M61-Y72 HydrophobicContact SD-CE1 4.25Å; D68-Y72 WeakPolarHBondContact O-CE2 3.46Å; D68-Y72 PolarHBondContact O-OH 2.73Å; A70-Y72 HydrophobicContact CB-CD2 4.27Å; A70-Y72 HydrophobicContact CB-CE2 3.77Å; A70-Y72 WeakPolarHBondContact O-CD2 3.49Å; Y72-G100 CarbonylContact O-C 3.51Å; Y72-G100 VanDerWaalsContact O-CA 3.23Å; Y72-G100 WeakPolarHBondContact O-CA 3.35Å; Y72-T101 PolarHBondContact N-O 2.95Å; Y72-T101 PolarHBondContact O-N 3.4Å; Y72-V103 HydrophobicContact CD2-CB 3.87Å; Y72-V103 HydrophobicContact CD2-CG2 3.69Å; Y72-V103 HydrophobicContact CE2-CB 3.84Å; Y72-V103 HydrophobicContact CE2-CG2 4.1Å; Y72-V103 HydrophobicContact CG-CG2 4.48Å
73Y96.6Very high81.5Confident38 Ų3864.2 Ų64.215%0.14938%0.379CS..EExtended strand (participates in β ladder)trans-119.4136.1-178.9-51.5-94.6000110.1W14 V15 Q17 L23 I71 W97W14-Y73 WeakPolarHBondContact CA-O 3.33Å; W14-Y73 VanDerWaalsContact CE3-C 3.46Å; W14-Y73 VanDerWaalsContact CE3-O 3.3Å; V15-Y73 PolarHBondContact N-O 3.23Å; V15-Y73 PolarHBondContact O-N 3.42Å; Q17-Y73 HydrophobicContact CB-CE2 4.02Å; L23-Y73 HydrophobicContact CD2-CD2 4.36Å; L23-Y73 HydrophobicContact CD2-CE2 4.32Å; I71-Y73 HydrophobicContact CB-CE2 3.79Å; I71-Y73 HydrophobicContact CG2-CD1 4.44Å; I71-Y73 HydrophobicContact CG2-CD2 4.28Å; I71-Y73 HydrophobicContact CG2-CE1 3.77Å; I71-Y73 HydrophobicContact CG2-CE2 3.58Å; I71-Y73 WeakPolarHBondContact CG2-OH 3.44Å; I71-Y73 WeakPolarHBondContact O-CE2 3.41Å; Y73-W97 HydrophobicContact CD1-CE3 4.39Å; Y73-W97 HydrophobicContact CD2-CZ3 4.4Å; Y73-W97 HydrophobicContact CG-CE3 4.02Å; Y73-W97 HydrophobicContact CG-CZ3 4.13Å
74C93.9Very high79.4Confident41 Ų4165.8 Ų65.828%0.27737%0.372SS..EExtended strand (participates in β ladder)trans-84.7144.2162.463.10000109.4N13 W14 L57 G98N13-C74 CarbonylContact O-C 3.52Å; N13-C74 VanDerWaalsContact O-CA 3.32Å; N13-C74 WeakPolarHBondContact O-CA 3.22Å; W14-C74 HydrophobicContact CD2-CB 4.49Å; W14-C74 HydrophobicContact CE3-CB 4.37Å; W14-C74 HydrophobicContact CH2-CB 4.17Å; W14-C74 HydrophobicContact CZ2-CB 4.28Å; W14-C74 HydrophobicContact CZ3-CB 4.21Å; L57-C74 HydrophobicContact CD2-CB 3.91Å; C74-G98 PolarHBondContact O-N 3.03Å
75A91.3Very high76.8Confident1 Ų167.2 Ų67.21%0.00839%0.387CS..EExtended strand (participates in β ladder)trans-148.4151.6-177.700000113.9N13 L94 Y96 W97N13-A75 PolarHBondContact N-O 2.89Å; N13-A75 PolarHBondContact O-N 2.72Å; A75-L94 HydrophobicContact CB-CB 4.24Å; A75-L94 HydrophobicContact CB-CD1 3.52Å; A75-L94 HydrophobicContact CB-CD2 3.97Å; A75-L94 HydrophobicContact CB-CG 4.1Å; A75-Y96 VanDerWaalsContact CA-O 3.28Å; A75-Y96 WeakPolarHBondContact CA-O 3.03Å; A75-W97 HydrophobicContact CB-CD2 4.1Å; A75-W97 HydrophobicContact CB-CE3 3.99Å; A75-W97 HydrophobicContact CB-CZ3 4.28Å
76I85.6Confident74.5Confident7 Ų768.1 Ų68.14%0.03640%0.395CS..EExtended strand (participates in β ladder)trans-107.9126.5176.4-58.7-179.7000109.5L5 L7 Y10 M12 L94 H95 Y96L5-I76 HydrophobicContact CD1-CD1 3.98Å; L5-I76 HydrophobicContact CD2-CD1 3.75Å; L5-I76 HydrophobicContact CG-CD1 4.18Å; L7-I76 HydrophobicContact CD2-CD1 3.63Å; L7-I76 HydrophobicContact CD2-CG1 4.43Å; Y10-I76 HydrophobicContact CD1-CG2 3.6Å; Y10-I76 HydrophobicContact CD2-CD1 4.4Å; Y10-I76 HydrophobicContact CE1-CG2 4.31Å; Y10-I76 HydrophobicContact CG-CD1 4.46Å; Y10-I76 HydrophobicContact CG-CG2 3.76Å; M12-I76 HydrophobicContact CE-CG1 3.9Å; M12-I76 HydrophobicContact SD-CD1 4.24Å; M12-I76 HydrophobicContact SD-CG1 3.75Å; I76-L94 WeakPolarHBondContact O-CD2 3.48Å; I76-H95 PolarHBondContact O-N 3.45Å; I76-H95 VanDerWaalsContact O-N 3.14Å; I76-Y96 HydrophobicContact CD1-CD2 4.34Å; I76-Y96 PolarHBondContact N-O 3.39Å
77P69.9Low72.4Confident38 Ų3870.6 Ų70.625%0.24741%0.409CS..  trans-73.8149.3175.332.4-28.9000111.2T11 N13 F79 L94T11-P77 HydrophobicContact CG2-CG 4.46Å; T11-P77 WeakPolarHBondContact O-CD 3.31Å; N13-P77 WeakPolarHBondContact ND2-CD 3.2Å; P77-F79 PolarHBondContact O-N 3.17Å; P77-L94 HydrophobicContact CB-CD2 4.27Å
78P56Low69.8Low52 Ų5267.3 Ų67.334%0.33841%0.411SS..SBendtrans-74.977.7176.433.1-35.8000110.6T93P78-T93 WeakPolarHBondContact CD-O 3.37Å; P78-T93 VanDerWaalsContact CG-O 3.3Å; P78-T93 WeakPolarHBondContact CG-O 3.26Å
79F56.6Low67.3Low127 Ų12771.1 Ų71.156%0.55745%0.45SS*.SBendtrans59.8145164-64.2-85000120.9Y10 P77Y10-F79 HydrophobicContact CD1-CE1 4.39Å; Y10-F79 HydrophobicContact CE1-CD1 4.21Å; Y10-F79 AromaticContact CE1-CE1 3.45Å; Y10-F79 HydrophobicContact CE1-CE1 3.45Å; Y10-F79 VanDerWaalsContact CE1-CE1 3.45Å; Y10-F79 HydrophobicContact CE1-CE2 4.42Å; Y10-F79 AromaticContact CE1-CZ 3.58Å; Y10-F79 HydrophobicContact CE1-CZ 3.58Å; P77-F79 PolarHBondContact O-N 3.17Å
80F51.7Low64.4Low184 Ų18478.1 Ų78.181%0.80747%0.474SS*.  trans72.7109.3172.5-64.4-76.2000119.5G82F80-G82 PolarHBondContact O-N 3.48Å
81S55Low61.7Low115 Ų11586 Ų8680%0.80452%0.517SS*.  trans-22.9111.5146.848.20000115.1
82G42.4Very low59.2Low77 Ų7790.8 Ų90.879%0.79453%0.532SS*.  trans141.699.1161.200000113.8F80F80-G82 PolarHBondContact O-N 3.48Å
83G42.2Very low56.8Low75 Ų7595.6 Ų95.677%0.77356%0.562SS**  trans100.3107.3160.400000115.1
84Y52.3Low55Low129 Ų12995.6 Ų95.651%0.50656%0.564SS.*  trans-71.2127.1163.8-58.6-80.4000109.1H37H37-Y84 HydrophobicContact CB-CE1 4.48Å; H37-Y84 AromaticContact CD2-CE2 3.88Å; H37-Y84 AromaticContact CD2-CZ 3.38Å; H37-Y84 PolarHBondContact CD2-OH 2.94Å; H37-Y84 AromaticContact CE1-CE2 3.33Å; H37-Y84 WeakPolarHBondContact CE1-CE2 3.14Å; H37-Y84 AromaticContact CE1-CZ 3.69Å; H37-Y84 AromaticContact CG-CE2 3.95Å; H37-Y84 AromaticContact CG-CZ 3.57Å; H37-Y84 AromaticContact ND1-CE2 3.64Å; H37-Y84 AromaticContact ND1-CZ 3.77Å; H37-Y84 AromaticContact NE2-CE2 3.46Å; H37-Y84 WeakPolarHBondContact NE2-CE2 3.02Å; H37-Y84 AromaticContact NE2-CZ 3.43Å; H37-Y84 PolarHBondContact NE2-OH 3.31Å
85S41.8Very low53.6Low95 Ų9599 Ų9966%0.66458%0.576SS**  trans-149.587.9160.2-73.50000109S87S85-S87 PolarHBondContact O-N 2.83Å
86F48.3Very low53.1Low164 Ų164104.9 Ų104.972%0.71960%0.599SS**  trans-87.570.2159.6-74.4-80.8000108.3W25W25-F86 HydrophobicContact CB-CE2 4.35Å; W25-F86 HydrophobicContact CB-CZ 4.18Å; W25-F86 HydrophobicContact CD2-CE2 4.46Å; W25-F86 HydrophobicContact CG-CE2 4.13Å; W25-F86 HydrophobicContact CG-CZ 4.22Å
87S51.1Low53.2Low107 Ų107109.1 Ų109.175%0.74861%0.614SS**SBendtrans-152.4127.7154.890.40000109.2S85S85-S87 PolarHBondContact O-N 2.83Å
88G41.5Very low54.2Low64 Ų64108.4 Ų108.466%0.6661%0.614SS**SBendtrans80.887.7167.600000117.1Y90G88-Y90 WeakPolarHBondContact O-CD2 3.32Å; G88-Y90 PolarHBondContact O-N 3.41Å
89G43.8Very low56Low81 Ų81114.9 Ų114.984%0.83564%0.639SS**  81.924.4128.200000120.4
90Y37.3Very low57.9Low178 Ų178110.3 Ų110.370%0.69863%0.629SS**  trans-124.5127.4167.2-60.3-78.4000110.8G88 Y92G88-Y90 WeakPolarHBondContact O-CD2 3.32Å; G88-Y90 PolarHBondContact O-N 3.41Å; Y90-Y92 VanDerWaalsContact C-N 3.35Å; Y90-Y92 WeakPolarHBondContact O-CD2 3.38Å; Y90-Y92 PolarHBondContact O-N 3.24Å
91N41.9Very low60.1Low168 Ų168105.4 Ų105.490%0.89861%0.614SS**  trans-68.485.4178.6-83.4-56.9000110.3T93N91-T93 PolarHBondContact O-N 3.31Å
92Y46.4Very low62.1Low161 Ų161105.2 Ų105.263%0.63160%0.603SS**  trans-83.794.4171.8-59.2-72.1000109.6Y90 L94Y90-Y92 VanDerWaalsContact C-N 3.35Å; Y90-Y92 WeakPolarHBondContact O-CD2 3.38Å; Y90-Y92 PolarHBondContact O-N 3.24Å; Y92-L94 PolarHBondContact O-N 2.95Å; Y92-L94 VanDerWaalsContact O-N 3.13Å
93T47.6Very low64.7Low106 Ų106102.9 Ų102.965%0.6557%0.574SS**  trans-69106.7171.647.90000109.5P78 N91 H95P78-T93 WeakPolarHBondContact CD-O 3.37Å; P78-T93 VanDerWaalsContact CG-O 3.3Å; P78-T93 WeakPolarHBondContact CG-O 3.26Å; N91-T93 PolarHBondContact O-N 3.31Å; T93-H95 PolarHBondContact O-N 3.2Å; T93-H95 VanDerWaalsContact O-N 3.15Å
94L57.8Low67.4Low38 Ų38104 Ų10420%0.19957%0.566CS.*  trans-53.8118.2160.9-76.3172.4000107.6V15 A75 I76 P77 Y92 W97V15-L94 HydrophobicContact CG2-CD1 3.98Å; A75-L94 HydrophobicContact CB-CB 4.24Å; A75-L94 HydrophobicContact CB-CD1 3.52Å; A75-L94 HydrophobicContact CB-CD2 3.97Å; A75-L94 HydrophobicContact CB-CG 4.1Å; I76-L94 WeakPolarHBondContact O-CD2 3.48Å; P77-L94 HydrophobicContact CB-CD2 4.27Å; Y92-L94 PolarHBondContact O-N 2.95Å; Y92-L94 VanDerWaalsContact O-N 3.13Å; L94-W97 HydrophobicContact CB-CD2 4.33Å; L94-W97 VanDerWaalsContact CB-CE2 3.42Å; L94-W97 HydrophobicContact CB-CZ2 3.6Å; L94-W97 HydrophobicContact CD1-CD2 4.39Å; L94-W97 HydrophobicContact CD1-CH2 3.26Å; L94-W97 HydrophobicContact CD1-CZ2 3.06Å; L94-W97 HydrophobicContact CD1-CZ3 4.03Å; L94-W97 HydrophobicContact CG-CH2 4.46Å; L94-W97 HydrophobicContact CG-CZ2 3.83Å; L94-W97 PolarHBondContact O-NE1 3.47Å; L94-W97 VanDerWaalsContact O-NE1 3.15Å
95H65.1Low69.5Low112 Ų11299.3 Ų99.352%0.51955%0.55SS.*SBendtrans-76.1-33.1-164.8-150.2146.2000111.3I76 T93I76-H95 PolarHBondContact O-N 3.45Å; I76-H95 VanDerWaalsContact O-N 3.14Å; T93-H95 PolarHBondContact O-N 3.2Å; T93-H95 VanDerWaalsContact O-N 3.15Å
96Y80.1Confident71.9Confident124 Ų12499.7 Ų99.749%0.48655%0.553SS.*EExtended strand (participates in β ladder)trans-131.1132176.2-63.1-79.6000110.1L5 A75 I76L5-Y96 HydrophobicContact CD1-CD2 4.4Å; L5-Y96 HydrophobicContact CD1-CE2 4.38Å; L5-Y96 HydrophobicContact CD2-CG 4.39Å; A75-Y96 VanDerWaalsContact CA-O 3.28Å; A75-Y96 WeakPolarHBondContact CA-O 3.03Å; I76-Y96 HydrophobicContact CD1-CD2 4.34Å; I76-Y96 PolarHBondContact N-O 3.39Å
97W88.5Confident73.4Confident96 Ų96100.6 Ų100.636%0.36458%0.58SS.*EExtended strand (participates in β ladder)trans-121.2140.3176-70.183.4000110V15 L23 Y73 A75 L94V15-W97 HydrophobicContact CB-CH2 4.11Å; V15-W97 HydrophobicContact CB-CZ3 3.81Å; V15-W97 HydrophobicContact CG1-CH2 3.92Å; V15-W97 HydrophobicContact CG1-CZ3 3.96Å; V15-W97 HydrophobicContact CG2-CH2 4.14Å; V15-W97 HydrophobicContact CG2-CZ3 4.13Å; L23-W97 HydrophobicContact CD1-CH2 3.72Å; L23-W97 HydrophobicContact CD1-CZ2 4.07Å; L23-W97 HydrophobicContact CD2-CH2 3.97Å; L23-W97 HydrophobicContact CD2-CZ3 4.1Å; L23-W97 HydrophobicContact CG-CH2 4.38Å; Y73-W97 HydrophobicContact CD1-CE3 4.39Å; Y73-W97 HydrophobicContact CD2-CZ3 4.4Å; Y73-W97 HydrophobicContact CG-CE3 4.02Å; Y73-W97 HydrophobicContact CG-CZ3 4.13Å; A75-W97 HydrophobicContact CB-CD2 4.1Å; A75-W97 HydrophobicContact CB-CE3 3.99Å; A75-W97 HydrophobicContact CB-CZ3 4.28Å; L94-W97 HydrophobicContact CB-CD2 4.33Å; L94-W97 VanDerWaalsContact CB-CE2 3.42Å; L94-W97 HydrophobicContact CB-CZ2 3.6Å; L94-W97 HydrophobicContact CD1-CD2 4.39Å; L94-W97 HydrophobicContact CD1-CH2 3.26Å; L94-W97 HydrophobicContact CD1-CZ2 3.06Å; L94-W97 HydrophobicContact CD1-CZ3 4.03Å; L94-W97 HydrophobicContact CG-CH2 4.46Å; L94-W97 HydrophobicContact CG-CZ2 3.83Å; L94-W97 PolarHBondContact O-NE1 3.47Å; L94-W97 VanDerWaalsContact O-NE1 3.15Å
98G90.9Very high74.5Confident23 Ų23100.3 Ų100.324%0.23757%0.571CS.*  trans-65.7160.3159.800000110.7C74 G100C74-G98 PolarHBondContact O-N 3.03Å; G98-G100 PolarHBondContact O-N 3.04Å; G98-G100 VanDerWaalsContact O-N 3.11Å
99Q94.4Very high76.2Confident188 Ų188102.2 Ų102.288%0.87957%0.566SS**  trans-64.9-14.8178.9-65.5-61.2-54.600113.7
100G95.7Very high78Confident32 Ų32103.4 Ų103.433%0.3355%0.552SS.*  trans88.9152.3-175.700000112.3Y72 G98Y72-G100 CarbonylContact O-C 3.51Å; Y72-G100 VanDerWaalsContact O-CA 3.23Å; Y72-G100 WeakPolarHBondContact O-CA 3.35Å; G98-G100 PolarHBondContact O-N 3.04Å; G98-G100 VanDerWaalsContact O-N 3.11Å
101T97.6Very high80.4Confident80 Ų8099 Ų9949%0.49154%0.543SS..EExtended strand (participates in β ladder)trans-133.4130.9171.2-170.80000109.8I71 Y72 V103I71-T101 CarbonylContact C-O 3.53Å; I71-T101 WeakPolarHBondContact CA-O 3.45Å; Y72-T101 PolarHBondContact N-O 2.95Å; Y72-T101 PolarHBondContact O-N 3.4Å; T101-V103 HydrophobicContact CG2-CG2 4.47Å; T101-V103 PolarHBondContact O-N 2.99Å
102L97.8Very high82.8Confident112 Ų11294.7 Ų94.759%0.58652%0.521SS*.EExtended strand (participates in β ladder)trans-75.7124176177.863.2000109.2I71I71-L102 HydrophobicContact CG1-CB 4.5Å; I71-L102 HydrophobicContact CG1-CD1 4.12Å
103V97.8Very high85.2Confident28 Ų2890.3 Ų90.317%0.1751%0.513CS..EExtended strand (participates in β ladder)trans-111.2121.8167.7-179.60000107.2M61 T69 A70 Y72 T101 V105M61-V103 HydrophobicContact CE-CG1 4.24Å; M61-V103 HydrophobicContact CE-CG2 3.95Å; T69-V103 WeakPolarHBondContact CA-O 3.45Å; A70-V103 PolarHBondContact N-O 3.33Å; A70-V103 VanDerWaalsContact N-O 3.12Å; A70-V103 PolarHBondContact O-N 3.03Å; Y72-V103 HydrophobicContact CD2-CB 3.87Å; Y72-V103 HydrophobicContact CD2-CG2 3.69Å; Y72-V103 HydrophobicContact CE2-CB 3.84Å; Y72-V103 HydrophobicContact CE2-CG2 4.1Å; Y72-V103 HydrophobicContact CG-CG2 4.48Å; T101-V103 HydrophobicContact CG2-CG2 4.47Å; T101-V103 PolarHBondContact O-N 2.99Å; V103-V105 HydrophobicContact CG1-CG2 4.42Å
104T97.4Very high87.9Confident99 Ų9989.1 Ų89.161%0.60750%0.503SS*.  trans-112.4131178.6-56.10000109.6T69T69-T104 HydrophobicContact CG2-CG2 4.39Å
105V96.3Very high90.3Very high30 Ų3093.1 Ų93.118%0.18253%0.527CS..  trans-126119.1176.2-172.20000107.7L64 R65 T69 V103L64-V105 HydrophobicContact CB-CG1 4.22Å; L64-V105 HydrophobicContact CB-CG2 3.98Å; L64-V105 HydrophobicContact CD1-CG2 4.12Å; L64-V105 HydrophobicContact CD2-CG2 4.17Å; L64-V105 HydrophobicContact CG-CG2 4.33Å; R65-V105 WeakPolarHBondContact O-CB 3.13Å; R65-V105 WeakPolarHBondContact O-CG1 3.21Å; T69-V105 PolarHBondContact OG1-N 2.75Å; T69-V105 PolarHBondContact OG1-O 2.76Å; T69-V105 VanDerWaalsContact OG1-O 3.13Å; V103-V105 HydrophobicContact CG1-CG2 4.42Å
106S92Very high92.3Very high103 Ų10391.5 Ų91.572%0.7253%0.528SS*.  trans-117.5154.1173.458.40000109.8
107S79.8Confident93.5Very high183 Ų18388.5 Ų88.5100%1.2853%0.531SS*.  trans-69.20173.260.90000112.7

Retrieved 107 of 107 residues in 161.2 ms (Link to these results)

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