A0A087X109_HUMAN Loading...

Arachidonate 5-lipoxygenase

AlphaFold DB , UniProt , Accession A0A087X109, Species HUMAN (Homo sapiens, Human), Gene ALOX5, Length 139 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
1M81.1Confident96.1Very high162 Ų16228.4 Ų28.480%0.79816%0.16SC*.  079.30-59.6-175.8100.400110.7T57 V58M1-T57 HydrophobicContact CB-CG2 3.67Å; M1-T57 HydrophobicContact CE-CG2 4.14Å; M1-T57 HydrophobicContact CG-CG2 4.46Å; M1-V58 WeakPolarHBondContact CA-O 3.46Å
2P92.1Very high96.2Very high24 Ų2432 Ų3216%0.15619%0.189CC..  trans-64.7144.7169.310.8-6.2000111Y4 T57 V58 E60 P91P2-Y4 HydrophobicContact CB-CE2 3.96Å; P2-Y4 HydrophobicContact CG-CE2 4.37Å; P2-T57 WeakPolarHBondContact O-CA 3.35Å; P2-V58 HydrophobicContact CB-CG2 4.28Å; P2-V58 WeakPolarHBondContact CD-O 3.26Å; P2-V58 HydrophobicContact CG-CG2 3.6Å; P2-V58 PolarHBondContact O-N 3.01Å; P2-E60 WeakPolarHBondContact CG-O 3.36Å; P2-P91 HydrophobicContact CB-CB 4.25Å; P2-P91 HydrophobicContact CB-CG 3.4Å
3S96.4Very high96.3Very high52 Ų5235.2 Ų35.236%0.36420%0.201SC..EExtended strand (participates in β ladder)trans-114.9132.1176.7-178.10000110.8V56 P91S3-V56 WeakPolarHBondContact CA-O 3.46Å; S3-P91 WeakPolarHBondContact O-CD 2.99Å; S3-P91 VanDerWaalsContact O-CG 3.29Å; S3-P91 WeakPolarHBondContact O-CG 3.04Å
4Y97.9Very high96.2Very high3 Ų345.9 Ų45.91%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-116.7131.6180-63.8-95.7000108.9P2 L26 V56 V58 L62 I65 L88 K89 T90 P91P2-Y4 HydrophobicContact CB-CE2 3.96Å; P2-Y4 HydrophobicContact CG-CE2 4.37Å; Y4-L26 HydrophobicContact CD1-CD1 4.05Å; Y4-L26 HydrophobicContact CD2-CD1 3.8Å; Y4-L26 HydrophobicContact CE1-CD1 4.42Å; Y4-L26 HydrophobicContact CE2-CD1 4.21Å; Y4-L26 HydrophobicContact CG-CD1 3.72Å; Y4-V56 PolarHBondContact N-O 3.33Å; Y4-V56 PolarHBondContact O-N 3.01Å; Y4-V58 HydrophobicContact CD2-CG1 4.34Å; Y4-V58 HydrophobicContact CD2-CG2 4.26Å; Y4-V58 HydrophobicContact CE2-CG1 4.39Å; Y4-V58 HydrophobicContact CE2-CG2 3.69Å; Y4-L62 HydrophobicContact CE2-CD1 4.39Å; Y4-I65 HydrophobicContact CE1-CD1 4.06Å; Y4-I65 HydrophobicContact CE1-CG1 3.98Å; Y4-L88 HydrophobicContact CD1-CD1 4.08Å; Y4-L88 HydrophobicContact CD1-CD2 3.73Å; Y4-L88 HydrophobicContact CD1-CG 4.08Å; Y4-L88 HydrophobicContact CE1-CD2 4.24Å; Y4-K89 WeakPolarHBondContact CA-O 3.34Å; Y4-T90 HydrophobicContact CE1-CG2 4.31Å; Y4-P91 VanDerWaalsContact CD1-CD 3.5Å; Y4-P91 HydrophobicContact CD1-CG 4.48Å; Y4-P91 HydrophobicContact CD2-CG 4.44Å; Y4-P91 HydrophobicContact CE1-CG 4.18Å; Y4-P91 HydrophobicContact CE2-CG 4.11Å
5T98.4Very high96.2Very high44 Ų4454.3 Ų54.327%0.2727%0.271SS..EExtended strand (participates in β ladder)trans-91111.1169.2-52.70000108.3Y54 D55 L88 K89T5-Y54 CarbonylContact C-O 3.59Å; T5-Y54 WeakPolarHBondContact CA-O 3.4Å; T5-D55 PolarHBondContact OG1-OD1 3.1Å; T5-D55 VanDerWaalsContact OG1-OD1 3.09Å; T5-L88 WeakPolarHBondContact O-CA 3.43Å; T5-K89 PolarHBondContact N-O 2.6Å; T5-K89 VanDerWaalsContact N-O 3.08Å; T5-K89 PolarHBondContact O-N 2.69Å
6V98.4Very high96.2Very high0 Ų050.9 Ų50.90%025%0.254CS..EExtended strand (participates in β ladder)trans-92.5130.2174.9177.90000108.2V8 L24 S53 Y54 V56 I86V6-V8 HydrophobicContact CG1-CG2 4.01Å; V6-L24 HydrophobicContact CB-CD1 4.37Å; V6-L24 HydrophobicContact CG1-CD1 3.51Å; V6-L24 HydrophobicContact CG2-CD1 4.02Å; V6-L24 HydrophobicContact CG2-CD2 4.33Å; V6-S53 CarbonylContact O-C 3.57Å; V6-S53 VanDerWaalsContact O-CA 3.24Å; V6-S53 WeakPolarHBondContact O-CA 3.21Å; V6-Y54 PolarHBondContact N-O 3.14Å; V6-Y54 PolarHBondContact O-N 2.84Å; V6-V56 HydrophobicContact CB-CG2 4.44Å; V6-V56 HydrophobicContact CG2-CB 4.23Å; V6-V56 HydrophobicContact CG2-CG2 3.74Å; V6-I86 HydrophobicContact CG1-CG2 3.84Å
7T98.6Very high96.3Very high25 Ų2548.9 Ų48.915%0.15325%0.25CC..EExtended strand (participates in β ladder)trans-120127.1170.4-580000110.1V51 D52 S53 I86 T87T7-V51 HydrophobicContact CG2-CG1 3.33Å; T7-D52 CarbonylContact C-O 3.5Å; T7-D52 VanDerWaalsContact CA-O 3.26Å; T7-D52 WeakPolarHBondContact CA-O 3.09Å; T7-S53 PolarHBondContact OG1-OG 3.4Å; T7-I86 CarbonylContact O-C 3.48Å; T7-I86 VanDerWaalsContact O-CA 3.27Å; T7-I86 WeakPolarHBondContact O-CA 3.24Å; T7-T87 WeakPolarHBondContact CB-OG1 3.19Å; T7-T87 PolarHBondContact N-O 2.86Å; T7-T87 PolarHBondContact O-N 3.01Å
8V98.7Very high96.3Very high0 Ų046.4 Ų46.40%024%0.237CC..EExtended strand (participates in β ladder)trans-111.7125.5-176.7-175.90000108.4V6 L38 F46 V51 D52 Y54 W81 L83 I86V6-V8 HydrophobicContact CG1-CG2 4.01Å; V8-L38 HydrophobicContact CG2-CD1 3.93Å; V8-F46 HydrophobicContact CB-CE1 4.18Å; V8-F46 HydrophobicContact CG1-CD1 4.09Å; V8-F46 HydrophobicContact CG1-CE1 3.99Å; V8-F46 HydrophobicContact CG2-CE1 4.33Å; V8-V51 WeakPolarHBondContact O-CA 3.35Å; V8-D52 PolarHBondContact N-O 3.25Å; V8-D52 PolarHBondContact O-N 3.4Å; V8-Y54 HydrophobicContact CG2-CD2 4.43Å; V8-Y54 HydrophobicContact CG2-CE2 4.19Å; V8-W81 HydrophobicContact CG1-CH2 3.63Å; V8-W81 HydrophobicContact CG1-CZ2 3.49Å; V8-W81 VanDerWaalsContact CG1-CZ2 3.49Å; V8-L83 HydrophobicContact CG1-CD1 3.64Å; V8-I86 HydrophobicContact CG2-CG1 4.32Å
9A98.7Very high96.2Very high0 Ų049.6 Ų49.60%026%0.255CS..EExtended strand (participates in β ladder)trans-109114.9177.800000111.2V51 K84 Y85A9-V51 HydrophobicContact CB-CG2 4.25Å; A9-K84 HydrophobicContact CB-CB 4.23Å; A9-K84 VanDerWaalsContact O-CB 3.29Å; A9-K84 WeakPolarHBondContact O-CB 3.3Å; A9-K84 PolarHBondContact O-N 2.75Å; A9-Y85 HydrophobicContact CB-CD1 4.04Å; A9-Y85 HydrophobicContact CB-CD2 3.85Å; A9-Y85 HydrophobicContact CB-CE1 3.69Å; A9-Y85 HydrophobicContact CB-CE2 3.48Å; A9-Y85 VanDerWaalsContact CB-CE2 3.48Å; A9-Y85 HydrophobicContact CB-CG 4.12Å; A9-Y85 PolarHBondContact N-O 3.18Å
10T98.6Very high96.2Very high2 Ų247.5 Ų47.51%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-84.2147.1176.6-60.80000111.3A16 E47 A50 W81 K84T10-A16 HydrophobicContact CG2-CB 4.37Å; T10-A16 WeakPolarHBondContact CG2-O 3.43Å; T10-E47 VanDerWaalsContact CB-O 3.29Å; T10-E47 WeakPolarHBondContact CB-O 3.17Å; T10-E47 WeakPolarHBondContact CG2-O 3.23Å; T10-A50 PolarHBondContact N-O 2.71Å; T10-W81 PolarHBondContact OG1-NE1 2.86Å; T10-W81 VanDerWaalsContact OG1-NE1 3.1Å; T10-K84 VanDerWaalsContact O-CD 3.31Å; T10-K84 WeakPolarHBondContact O-CD 3.26Å
11G98.1Very high96.2Very high0 Ų049.6 Ų49.60%025%0.25CC..  trans-58.9151.5176.100000113.4A16 G49 Y82G11-A16 WeakPolarHBondContact O-CB 3.44Å; G11-G49 PolarHBondContact O-N 2.75Å; G11-Y82 PolarHBondContact N-O 3.02Å
12S97.8Very high97Very high72 Ų7241.9 Ų41.950%0.50321%0.212SC..  trans-96.25.917359.60000113R48S12-R48 PolarHBondContact O-NE 3.01Å; S12-R48 PolarHBondContact O-NH2 3.4Å
13Q96.6Very high97.3Very high73 Ų7343 Ų4334%0.34121%0.213SC..SBendtrans-63159.7173.8-6373.127.900110.5F15 A16 R48 W103Q13-F15 PolarHBondContact O-N 2.96Å; Q13-A16 HydrophobicContact CB-CB 4.26Å; Q13-A16 WeakPolarHBondContact O-CB 3.24Å; Q13-A16 PolarHBondContact O-N 3.33Å; Q13-R48 WeakPolarHBondContact O-CD 3.4Å; Q13-R48 WeakPolarHBondContact O-CG 3.27Å; Q13-R48 PolarHBondContact O-NE 2.92Å; Q13-R48 VanDerWaalsContact O-NE 3.12Å; Q13-W103 HydrophobicContact CB-CZ2 4.24Å
14W96Very high97.4Very high186 Ų18640.5 Ų40.571%0.70520%0.196SC*.THydrogen-bonded Turntrans-62136.5172.4-76.970.3000109.8A16 W103W14-A16 PolarHBondContact O-N 3.24Å; W14-W103 WeakPolarHBondContact O-CH2 3.34Å
15F95Very high97.4Very high171 Ų17141 Ų4175%0.7520%0.199SC*.THydrogen-bonded Turntrans61.424.6-177.9-48.9-74.3000114.8Q13 G17 W103Q13-F15 PolarHBondContact O-N 2.96Å; F15-G17 VanDerWaalsContact C-N 3.33Å; F15-G17 PolarHBondContact O-N 3.22Å; F15-W103 WeakPolarHBondContact O-CH2 3.29Å; F15-W103 VanDerWaalsContact O-CZ3 3.27Å; F15-W103 WeakPolarHBondContact O-CZ3 3.36Å
16A97.2Very high97.4Very high0 Ų038.9 Ų38.90%019%0.186CC..  trans-76.1-15.2-177.600000115.1T10 G11 Q13 W14 R48 Y82 W103T10-A16 HydrophobicContact CG2-CB 4.37Å; T10-A16 WeakPolarHBondContact CG2-O 3.43Å; G11-A16 WeakPolarHBondContact O-CB 3.44Å; Q13-A16 HydrophobicContact CB-CB 4.26Å; Q13-A16 WeakPolarHBondContact O-CB 3.24Å; Q13-A16 PolarHBondContact O-N 3.33Å; W14-A16 PolarHBondContact O-N 3.24Å; A16-R48 HydrophobicContact CB-CG 4.38Å; A16-Y82 PolarHBondContact O-N 3Å; A16-W103 HydrophobicContact CB-CH2 4.38Å
17G97.1Very high97.3Very high18 Ų1839 Ų3919%0.18619%0.187CC..  trans-87.7166.9-179.400000113F15 F46F15-G17 VanDerWaalsContact C-N 3.33Å; F15-G17 PolarHBondContact O-N 3.22Å; G17-F46 WeakPolarHBondContact CA-O 3.35Å
18T96.8Very high97.1Very high3 Ų337.9 Ų37.92%0.01818%0.181CC..  trans-145.4143.3-176-177.50000112.3D20 I22 F46 D79 W81T18-D20 WeakPolarHBondContact OG1-CB 3.5Å; T18-D20 PolarHBondContact OG1-N 3.4Å; T18-D20 VanDerWaalsContact OG1-N 3.12Å; T18-I22 HydrophobicContact CG2-CD1 4.2Å; T18-I22 HydrophobicContact CG2-CG1 4.45Å; T18-F46 HydrophobicContact CG2-CB 3.7Å; T18-F46 HydrophobicContact CG2-CD2 4.45Å; T18-F46 HydrophobicContact CG2-CG 4.29Å; T18-F46 PolarHBondContact N-O 3.1Å; T18-D79 WeakPolarHBondContact CA-OD2 3.06Å; T18-D79 WeakPolarHBondContact CB-OD1 3.38Å; T18-D79 PolarHBondContact OG1-OD1 2.81Å; T18-D79 PolarHBondContact OG1-OD2 3.3Å; T18-D79 VanDerWaalsContact OG1-OD2 3.13Å; T18-W81 HydrophobicContact CG2-CB 3.8Å; T18-W81 HydrophobicContact CG2-CD2 3.92Å; T18-W81 HydrophobicContact CG2-CG 3.45Å; T18-W81 VanDerWaalsContact CG2-CG 3.45Å
19D95.3Very high96.9Very high107 Ų10740.7 Ų40.757%0.57220%0.201SC*.  trans-100.65170.4-66.4-43.7000111.8Y75 D79D19-Y75 WeakPolarHBondContact O-CB 2.9Å; D19-D79 PolarHBondContact N-OD2 3.22Å
20D96Very high96.6Very high8 Ų844.3 Ų44.34%0.04323%0.23CC..SBendtrans-78.4161.6-179.6-80.8-15.5000112.6T18 I22 K72 R73 K74 Y75T18-D20 WeakPolarHBondContact OG1-CB 3.5Å; T18-D20 PolarHBondContact OG1-N 3.4Å; T18-D20 VanDerWaalsContact OG1-N 3.12Å; D20-I22 PolarHBondContact O-N 2.92Å; D20-K72 HydrophobicContact CB-CD 4.27Å; D20-K72 HydrophobicContact CB-CG 3.86Å; D20-K72 IonicContact OD2-NZ 3.89Å; D20-K72 PolarHBondContact OD2-NZ 2.82Å; D20-R73 WeakPolarHBondContact CB-O 3.43Å; D20-K74 VanDerWaalsContact OD1-CA 3.28Å; D20-K74 WeakPolarHBondContact OD1-CA 3.27Å; D20-Y75 PolarHBondContact OD1-N 2.87Å
21Y96.1Very high96.3Very high91 Ų9145.4 Ų45.436%0.35724%0.242SC..EExtended strand (participates in β ladder)trans-73.9124.3176.1-60.2-61.9000111.1L37 K72 R73 Y75Y21-L37 HydrophobicContact CD1-CD1 4.04Å; Y21-L37 HydrophobicContact CG-CD1 4.47Å; Y21-K72 CarbonylContact O-C 3.52Å; Y21-K72 WeakPolarHBondContact O-CA 3.36Å; Y21-R73 PolarHBondContact N-O 2.85Å; Y21-R73 PolarHBondContact O-N 2.84Å; Y21-Y75 HydrophobicContact CD2-CD2 4.46Å; Y21-Y75 HydrophobicContact CE1-CD2 4.12Å; Y21-Y75 AromaticContact CE2-CD2 3.46Å; Y21-Y75 HydrophobicContact CE2-CD2 3.46Å; Y21-Y75 VanDerWaalsContact CE2-CD2 3.46Å; Y21-Y75 HydrophobicContact CE2-CE2 4.36Å; Y21-Y75 HydrophobicContact CE2-CG 4.12Å; Y21-Y75 AromaticContact CZ-CD2 3.25Å; Y21-Y75 AromaticContact CZ-CE2 3.79Å; Y21-Y75 WeakPolarHBondContact OH-CD2 3.34Å; Y21-Y75 WeakPolarHBondContact OH-CE2 3.41Å
22I97.7Very high96.2Very high0 Ų047.7 Ų47.70%026%0.258CS..EExtended strand (participates in β ladder)trans-106.2115.3175.5-52.4-54.4000109.5T18 D20 L38 F46 I70 K72 W81T18-I22 HydrophobicContact CG2-CD1 4.2Å; T18-I22 HydrophobicContact CG2-CG1 4.45Å; D20-I22 PolarHBondContact O-N 2.92Å; I22-L38 HydrophobicContact CG2-CD1 4.21Å; I22-L38 PolarHBondContact O-N 2.79Å; I22-F46 HydrophobicContact CB-CE2 3.85Å; I22-F46 HydrophobicContact CB-CZ 3.84Å; I22-F46 HydrophobicContact CG1-CD2 3.77Å; I22-F46 HydrophobicContact CG1-CE1 4.4Å; I22-F46 HydrophobicContact CG1-CE2 3.59Å; I22-F46 HydrophobicContact CG1-CG 4.26Å; I22-F46 HydrophobicContact CG1-CZ 3.93Å; I22-F46 HydrophobicContact CG2-CZ 4.31Å; I22-I70 HydrophobicContact CG2-CD1 4.38Å; I22-I70 HydrophobicContact CG2-CG2 4.18Å; I22-K72 HydrophobicContact CD1-CB 4.1Å; I22-K72 HydrophobicContact CD1-CD 4.3Å; I22-K72 HydrophobicContact CD1-CG 3.75Å; I22-W81 HydrophobicContact CD1-CD2 4.42Å; I22-W81 HydrophobicContact CD1-CE3 3.79Å; I22-W81 HydrophobicContact CD1-CZ3 3.84Å; I22-W81 HydrophobicContact CG1-CH2 4.46Å; I22-W81 HydrophobicContact CG1-CZ3 4.23Å; I22-W81 HydrophobicContact CG2-CH2 4.09Å; I22-W81 HydrophobicContact CG2-CZ3 3.97Å
23Y98.2Very high96.1Very high48 Ų4844.9 Ų44.919%0.18824%0.238CC..EExtended strand (participates in β ladder)trans-102.5142173-59.8-92.7000110.5K35 H36 L37 I70 E71 R73Y23-K35 HydrophobicContact CD1-CB 4.38Å; Y23-H36 CarbonylContact C-O 3.52Å; Y23-H36 VanDerWaalsContact CA-O 3.26Å; Y23-H36 WeakPolarHBondContact CA-O 3.32Å; Y23-L37 HydrophobicContact CD1-CB 4.15Å; Y23-L37 HydrophobicContact CD1-CD1 4.37Å; Y23-L37 HydrophobicContact CE1-CB 3.96Å; Y23-L37 HydrophobicContact CE1-CD1 4.02Å; Y23-L37 HydrophobicContact CE2-CD1 4.46Å; Y23-I70 CarbonylContact O-C 3.59Å; Y23-I70 WeakPolarHBondContact O-CA 3.35Å; Y23-E71 PolarHBondContact N-O 2.84Å; Y23-E71 PolarHBondContact O-N 2.88Å; Y23-R73 HydrophobicContact CD2-CG 4.18Å; Y23-R73 HydrophobicContact CE2-CB 4.1Å; Y23-R73 HydrophobicContact CE2-CG 3.94Å
24L98.3Very high96.1Very high0 Ų045.3 Ų45.30%024%0.24CC..EExtended strand (participates in β ladder)trans-122.8139.7176.7179.3150.2000111.2V6 L26 H36 L38 V68 R69 I70V6-L24 HydrophobicContact CB-CD1 4.37Å; V6-L24 HydrophobicContact CG1-CD1 3.51Å; V6-L24 HydrophobicContact CG2-CD1 4.02Å; V6-L24 HydrophobicContact CG2-CD2 4.33Å; L24-L26 HydrophobicContact CD2-CD2 3.7Å; L24-L26 HydrophobicContact CD2-CG 3.85Å; L24-H36 PolarHBondContact N-O 2.79Å; L24-H36 PolarHBondContact O-N 3.2Å; L24-L38 HydrophobicContact CB-CD1 3.94Å; L24-L38 HydrophobicContact CB-CD2 4.08Å; L24-L38 HydrophobicContact CB-CG 4Å; L24-L38 HydrophobicContact CD1-CD1 4.09Å; L24-V68 HydrophobicContact CD1-CG1 3.91Å; L24-V68 HydrophobicContact CG-CG1 4.1Å; L24-R69 VanDerWaalsContact CA-O 3.32Å; L24-R69 WeakPolarHBondContact CA-O 3.47Å; L24-I70 HydrophobicContact CB-CD1 3.9Å; L24-I70 HydrophobicContact CD1-CD1 3.89Å; L24-I70 HydrophobicContact CG-CD1 4.07Å
25S98Very high96.1Very high12 Ų1241.3 Ų41.38%0.08423%0.227CC..EExtended strand (participates in β ladder)trans-132.5140.2165.4-63.30000110.9S33 E34 K35 R69S25-S33 WeakPolarHBondContact CA-OG 3.37Å; S25-E34 PolarHBondContact OG-O 3.39Å; S25-K35 WeakPolarHBondContact OG-CA 3.48Å; S25-K35 WeakPolarHBondContact OG-CG 3.28Å; S25-R69 PolarHBondContact N-O 3.15Å; S25-R69 PolarHBondContact O-N 2.76Å
26L97.5Very high96.3Very high0 Ų034.5 Ų34.50%020%0.198CC..EExtended strand (participates in β ladder)trans-97133177.2-60.3-178.7000109.6Y4 L24 C32 S33 L62 I65 V68 L88Y4-L26 HydrophobicContact CD1-CD1 4.05Å; Y4-L26 HydrophobicContact CD2-CD1 3.8Å; Y4-L26 HydrophobicContact CE1-CD1 4.42Å; Y4-L26 HydrophobicContact CE2-CD1 4.21Å; Y4-L26 HydrophobicContact CG-CD1 3.72Å; L24-L26 HydrophobicContact CD2-CD2 3.7Å; L24-L26 HydrophobicContact CD2-CG 3.85Å; L26-C32 CarbonylContact O-C 3.56Å; L26-C32 WeakPolarHBondContact O-CA 3.45Å; L26-S33 PolarHBondContact N-OG 3.07Å; L26-S33 PolarHBondContact O-N 2.86Å; L26-L62 HydrophobicContact CB-CD1 3.59Å; L26-L62 HydrophobicContact CD1-CD1 4.23Å; L26-I65 HydrophobicContact CB-CD1 4.28Å; L26-V68 HydrophobicContact CD2-CG2 4.01Å; L26-L88 HydrophobicContact CD1-CD1 3.82Å; L26-L88 HydrophobicContact CD2-CD1 3.32Å; L26-L88 HydrophobicContact CG-CD1 4.22Å
27V96.4Very high96.3Very high2 Ų238.2 Ų38.21%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-117.4113.5174.2-174.80000108.1Q66 L67 R69V27-Q66 PolarHBondContact O-N 3.19Å; V27-L67 HydrophobicContact CB-CB 3.98Å; V27-L67 HydrophobicContact CB-CD1 4.38Å; V27-L67 HydrophobicContact CB-CG 4.49Å; V27-L67 HydrophobicContact CG1-CD1 4.27Å; V27-L67 HydrophobicContact CG2-CB 4.35Å; V27-L67 PolarHBondContact N-O 2.96Å; V27-L67 PolarHBondContact O-N 2.9Å; V27-L67 VanDerWaalsContact O-N 3.07Å; V27-R69 HydrophobicContact CG2-CG 4.11Å
28G95.3Very high96.4Very high3 Ų337.6 Ų37.63%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-112.4179.317500000113A30 G31 L62 E64G28-A30 VanDerWaalsContact C-N 3.28Å; G28-A30 PolarHBondContact O-N 3.38Å; G28-G31 PolarHBondContact N-O 2.07Å; G28-L62 CarbonylContact C-O 3.53Å; G28-L62 WeakPolarHBondContact CA-O 3.39Å; G28-E64 CarbonylContact C-O 3.43Å; G28-E64 WeakPolarHBondContact CA-O 3.38Å
29S93.7Very high96.3Very high59 Ų5942.3 Ų42.341%0.41324%0.235SC..SBendtrans-67.3-26.7-177.960.20000113.8L62 E64S29-L62 PolarHBondContact N-O 3.4Å; S29-L62 VanDerWaalsContact N-O 3.11Å; S29-E64 PolarHBondContact N-O 3.27Å; S29-E64 PolarHBondContact OG-N 2.89Å; S29-E64 VanDerWaalsContact OG-N 3.1Å
30A92.9Very high96.2Very high75 Ų7539.5 Ų39.562%0.6222%0.218SC*.SBendtrans-102.2-15.8-177.800000113.9G28 L62G28-A30 VanDerWaalsContact C-N 3.28Å; G28-A30 PolarHBondContact O-N 3.38Å; A30-L62 PolarHBondContact N-O 3.11Å
31G93Very high96Very high25 Ų2544.1 Ų44.126%0.25825%0.248SC..  trans179.6-178.8-17800000114.4G28G28-G31 PolarHBondContact N-O 2.07Å
32C95.1Very high95.8Very high49 Ų4950.6 Ų50.633%0.33128%0.278SS..BIsolated β-bridgetrans-121.3142.1174.8-48.10000108.8L26 C131L26-C32 CarbonylContact O-C 3.56Å; L26-C32 WeakPolarHBondContact O-CA 3.45Å; C32-C131 HydrophobicContact CB-CB 4.15Å; C32-C131 WeakPolarHBondContact CB-SG 3.14Å; C32-C131 WeakPolarHBondContact SG-CB 3.19Å; C32-C131 CovalentContact SG-SG 2.07Å; C32-C131 PolarHBondContact SG-SG 3.13Å
33S97.1Very high95.7Very high13 Ų1356.4 Ų56.49%0.09130%0.301CS..  trans-75.7165.1168.477.80000111.2S25 L26S25-S33 WeakPolarHBondContact CA-OG 3.37Å; L26-S33 PolarHBondContact N-OG 3.07Å; L26-S33 PolarHBondContact O-N 2.86Å
34E95.9Very high95.5Very high82 Ų8258.3 Ų58.338%0.38332%0.315SS..  trans-63.4178.8161.271-82.7-160.900112.4S25 H36S25-E34 PolarHBondContact OG-O 3.39Å; E34-H36 PolarHBondContact O-CD2 2.88Å; E34-H36 IonicContact OE1-CE1 2.75Å; E34-H36 PolarHBondContact OE1-CE1 3.46Å; E34-H36 IonicContact OE1-ND1 2.63Å; E34-H36 IonicContact OE1-NE2 2.69Å; E34-H36 IonicContact OE2-CE1 3.5Å; E34-H36 IonicContact OE2-NE2 2.81Å
35K96.6Very high95.4Very high101 Ų10158.7 Ų58.744%0.43932%0.317SS..PPolyproline II helixtrans-85.9120173.3-71.1-177.4-179-176.10109.6Y23 S25 E71Y23-K35 HydrophobicContact CD1-CB 4.38Å; S25-K35 WeakPolarHBondContact OG-CA 3.48Å; S25-K35 WeakPolarHBondContact OG-CG 3.28Å; K35-E71 WeakPolarHBondContact CD-OE2 3.17Å; K35-E71 VanDerWaalsContact CE-OE2 3.28Å; K35-E71 WeakPolarHBondContact CE-OE2 3.29Å; K35-E71 IonicContact NZ-OE1 3.84Å; K35-E71 IonicContact NZ-OE2 3.95Å; K35-E71 PolarHBondContact NZ-OE2 2.88Å
36H98.1Very high95.4Very high29 Ų2958.5 Ų58.513%0.13431%0.314CS..EExtended strand (participates in β ladder)trans-100.8123174.5-56.6-86.6000109.2Y23 L24 E34 L38 V56 T57Y23-H36 CarbonylContact C-O 3.52Å; Y23-H36 VanDerWaalsContact CA-O 3.26Å; Y23-H36 WeakPolarHBondContact CA-O 3.32Å; L24-H36 PolarHBondContact N-O 2.79Å; L24-H36 PolarHBondContact O-N 3.2Å; E34-H36 PolarHBondContact O-CD2 2.88Å; E34-H36 IonicContact OE1-CE1 2.75Å; E34-H36 PolarHBondContact OE1-CE1 3.46Å; E34-H36 IonicContact OE1-ND1 2.63Å; E34-H36 IonicContact OE1-NE2 2.69Å; E34-H36 IonicContact OE2-CE1 3.5Å; E34-H36 IonicContact OE2-NE2 2.81Å; H36-L38 PolarHBondContact O-N 2.86Å; H36-V56 HydrophobicContact CB-CG1 4.35Å; H36-V56 VanDerWaalsContact CD2-CG1 3.45Å; H36-V56 WeakPolarHBondContact CD2-CG1 3.46Å; H36-V56 WeakPolarHBondContact NE2-CG1 3.48Å; H36-T57 PolarHBondContact CE1-O 3.14Å; H36-T57 VanDerWaalsContact CE1-O 3.27Å
37L97.8Very high95.4Very high77 Ų7762 Ų6240%0.40333%0.331SS..EExtended strand (participates in β ladder)trans-70.3122.5167177.463.4000108.2Y21 Y23 D39Y21-L37 HydrophobicContact CD1-CD1 4.04Å; Y21-L37 HydrophobicContact CG-CD1 4.47Å; Y23-L37 HydrophobicContact CD1-CB 4.15Å; Y23-L37 HydrophobicContact CD1-CD1 4.37Å; Y23-L37 HydrophobicContact CE1-CB 3.96Å; Y23-L37 HydrophobicContact CE1-CD1 4.02Å; Y23-L37 HydrophobicContact CE2-CD1 4.46Å; L37-D39 HydrophobicContact CD2-CB 4.25Å; L37-D39 HydrophobicContact CG-CB 4.04Å; L37-D39 PolarHBondContact O-N 3.28Å
38L97.9Very high95.5Very high5 Ų567.8 Ų67.83%0.02635%0.352CS..EExtended strand (participates in β ladder)trans-87.8102.2173.3-58.3-173000108.1V8 I22 L24 H36 F46 Y54 V56V8-L38 HydrophobicContact CG2-CD1 3.93Å; I22-L38 HydrophobicContact CG2-CD1 4.21Å; I22-L38 PolarHBondContact O-N 2.79Å; L24-L38 HydrophobicContact CB-CD1 3.94Å; L24-L38 HydrophobicContact CB-CD2 4.08Å; L24-L38 HydrophobicContact CB-CG 4Å; L24-L38 HydrophobicContact CD1-CD1 4.09Å; H36-L38 PolarHBondContact O-N 2.86Å; L38-F46 HydrophobicContact CB-CZ 3.71Å; L38-F46 HydrophobicContact CD1-CZ 4.43Å; L38-F46 WeakPolarHBondContact O-CE2 3.21Å; L38-Y54 HydrophobicContact CB-CD1 4.17Å; L38-Y54 HydrophobicContact CB-CD2 4.36Å; L38-Y54 HydrophobicContact CB-CE1 3.98Å; L38-Y54 HydrophobicContact CB-CE2 4.19Å; L38-Y54 HydrophobicContact CB-CG 4.35Å; L38-Y54 HydrophobicContact CD1-CD2 4.3Å; L38-Y54 HydrophobicContact CD1-CE2 4.36Å; L38-Y54 HydrophobicContact CD2-CD1 4.42Å; L38-Y54 HydrophobicContact CD2-CD2 4.24Å; L38-Y54 HydrophobicContact CD2-CG 4.01Å; L38-V56 HydrophobicContact CD2-CG2 4.18Å
39D96.1Very high95.6Very high103 Ų10369.6 Ų69.655%0.55137%0.371SS*.  trans-151.8129.5-179.5-17932.9000109.9L37 D45L37-D39 HydrophobicContact CD2-CB 4.25Å; L37-D39 HydrophobicContact CG-CB 4.04Å; L37-D39 PolarHBondContact O-N 3.28Å; D39-D45 WeakPolarHBondContact CA-OD2 3.1Å
40K93.6Very high95.8Very high48 Ų4867.7 Ų67.721%0.20936%0.358CS..  trans-101.7122.1173.2-79.3-177.3-107.7113.70109.5F42 Y43 D45 D52 S53 Y54K40-F42 PolarHBondContact O-N 3.22Å; K40-Y43 HydrophobicContact CB-CD1 4.31Å; K40-Y43 HydrophobicContact CB-CG 4.24Å; K40-Y43 VanDerWaalsContact NZ-CE1 3.27Å; K40-Y43 PolarHBondContact O-N 3.04Å; K40-Y43 VanDerWaalsContact O-N 3.12Å; K40-D45 VanDerWaalsContact CE-OD1 3.31Å; K40-D45 WeakPolarHBondContact CE-OD1 3.29Å; K40-D45 PolarHBondContact N-OD2 2.69Å; K40-D45 IonicContact NZ-OD1 2.68Å; K40-D45 PolarHBondContact NZ-OD1 2.81Å; K40-D52 IonicContact NZ-OD1 2.74Å; K40-D52 PolarHBondContact NZ-OD1 2.87Å; K40-S53 WeakPolarHBondContact CE-O 3.45Å; K40-Y54 HydrophobicContact CD-CE1 4.41Å; K40-Y54 HydrophobicContact CG-CD1 4.13Å; K40-Y54 HydrophobicContact CG-CE1 3.83Å
41P91.1Very high96.1Very high104 Ų10468 Ų6868%0.67535%0.353SS*.THydrogen-bonded Turntrans-62.5132.4-176.826.1-34.3000111.3Y43P41-Y43 PolarHBondContact O-N 2.81Å
42F92.4Very high96.3Very high227 Ų22766.9 Ų66.9100%0.99634%0.341SS*.THydrogen-bonded Turntrans6025.9-178.6-47.5-76.6000114.4K40K40-F42 PolarHBondContact O-N 3.22Å
43Y94.9Very high96.5Very high123 Ų12367.4 Ų67.448%0.48235%0.345SS..SBendtrans-126.4145.7175.9-174.5-82.8000109.3K40 P41 D45 D52K40-Y43 HydrophobicContact CB-CD1 4.31Å; K40-Y43 HydrophobicContact CB-CG 4.24Å; K40-Y43 VanDerWaalsContact NZ-CE1 3.27Å; K40-Y43 PolarHBondContact O-N 3.04Å; K40-Y43 VanDerWaalsContact O-N 3.12Å; P41-Y43 PolarHBondContact O-N 2.81Å; Y43-D45 HydrophobicContact CD1-CB 4.38Å; Y43-D45 WeakPolarHBondContact CD1-OD1 3.45Å; Y43-D45 WeakPolarHBondContact CE1-OD1 3.34Å; Y43-D52 WeakPolarHBondContact CE1-OD1 3.47Å; Y43-D52 PolarHBondContact OH-OD1 2.87Å
44N94.1Very high96.5Very high88 Ų8867.6 Ų67.647%0.47134%0.344SS..  trans-9696.4176.2-165.326.2000109.1E47N44-E47 HydrophobicContact CB-CG 4.38Å; N44-E47 PolarHBondContact ND2-OE1 2.84Å
45D95.9Very high96.6Very high8 Ų869.5 Ų69.54%0.04336%0.356CS..  trans-78.3162.2-175.6-75.5-32.3000112.1D39 K40 Y43 E47 Y54D39-D45 WeakPolarHBondContact CA-OD2 3.1Å; K40-D45 VanDerWaalsContact CE-OD1 3.31Å; K40-D45 WeakPolarHBondContact CE-OD1 3.29Å; K40-D45 PolarHBondContact N-OD2 2.69Å; K40-D45 IonicContact NZ-OD1 2.68Å; K40-D45 PolarHBondContact NZ-OD1 2.81Å; Y43-D45 HydrophobicContact CD1-CB 4.38Å; Y43-D45 WeakPolarHBondContact CD1-OD1 3.45Å; Y43-D45 WeakPolarHBondContact CE1-OD1 3.34Å; D45-E47 PolarHBondContact O-N 2.74Å; D45-E47 VanDerWaalsContact O-N 3.13Å; D45-Y54 VanDerWaalsContact CB-OH 3.28Å; D45-Y54 WeakPolarHBondContact CB-OH 3.4Å; D45-Y54 PolarHBondContact OD1-OH 2.96Å; D45-Y54 WeakPolarHBondContact OD2-CE1 3.49Å; D45-Y54 PolarHBondContact OD2-OH 3.29Å
46F97.2Very high96.6Very high7 Ų765 Ų653%0.03134%0.337CS..SBendtrans60.925171.4-44.4-62.2000114.9V8 G17 T18 I22 L38 D52 Y54 W81V8-F46 HydrophobicContact CB-CE1 4.18Å; V8-F46 HydrophobicContact CG1-CD1 4.09Å; V8-F46 HydrophobicContact CG1-CE1 3.99Å; V8-F46 HydrophobicContact CG2-CE1 4.33Å; G17-F46 WeakPolarHBondContact CA-O 3.35Å; T18-F46 HydrophobicContact CG2-CB 3.7Å; T18-F46 HydrophobicContact CG2-CD2 4.45Å; T18-F46 HydrophobicContact CG2-CG 4.29Å; T18-F46 PolarHBondContact N-O 3.1Å; I22-F46 HydrophobicContact CB-CE2 3.85Å; I22-F46 HydrophobicContact CB-CZ 3.84Å; I22-F46 HydrophobicContact CG1-CD2 3.77Å; I22-F46 HydrophobicContact CG1-CE1 4.4Å; I22-F46 HydrophobicContact CG1-CE2 3.59Å; I22-F46 HydrophobicContact CG1-CG 4.26Å; I22-F46 HydrophobicContact CG1-CZ 3.93Å; I22-F46 HydrophobicContact CG2-CZ 4.31Å; L38-F46 HydrophobicContact CB-CZ 3.71Å; L38-F46 HydrophobicContact CD1-CZ 4.43Å; L38-F46 WeakPolarHBondContact O-CE2 3.21Å; F46-D52 PolarHBondContact N-OD2 2.82Å; F46-Y54 HydrophobicContact CE1-CE2 4.03Å; F46-Y54 AromaticContact CE1-CZ 3.99Å; F46-Y54 VanDerWaalsContact CE1-OH 3.3Å; F46-Y54 WeakPolarHBondContact CE1-OH 3.35Å; F46-Y54 HydrophobicContact CZ-CE2 4.14Å; F46-Y54 AromaticContact CZ-CZ 3.73Å; F46-Y54 WeakPolarHBondContact CZ-OH 3.47Å; F46-W81 HydrophobicContact CD1-CH2 4.36Å; F46-W81 AromaticContact CD1-CZ2 3.76Å; F46-W81 HydrophobicContact CD1-CZ2 3.76Å; F46-W81 HydrophobicContact CE1-CZ2 4.38Å; F46-W81 HydrophobicContact CG-CZ2 4.34Å
47E98.1Very high96.6Very high74 Ų7466.5 Ų66.535%0.34635%0.349SS..  trans-64.7156.3175.9-76.3-60.6129.700112.7T10 N44 D45 G49 A50T10-E47 VanDerWaalsContact CB-O 3.29Å; T10-E47 WeakPolarHBondContact CB-O 3.17Å; T10-E47 WeakPolarHBondContact CG2-O 3.23Å; N44-E47 HydrophobicContact CB-CG 4.38Å; N44-E47 PolarHBondContact ND2-OE1 2.84Å; D45-E47 PolarHBondContact O-N 2.74Å; D45-E47 VanDerWaalsContact O-N 3.13Å; E47-G49 PolarHBondContact O-N 2.63Å; E47-A50 HydrophobicContact CB-CB 3.93Å; E47-A50 WeakPolarHBondContact O-CB 3.34Å; E47-A50 PolarHBondContact O-N 2.94Å
48R97.9Very high96.5Very high124 Ų12462.9 Ų62.947%0.46833%0.33SS..THydrogen-bonded Turntrans-53.6119.4177.5174.5-175.7171-169.6-1.6110.7S12 Q13 A16 A50S12-R48 PolarHBondContact O-NE 3.01Å; S12-R48 PolarHBondContact O-NH2 3.4Å; Q13-R48 WeakPolarHBondContact O-CD 3.4Å; Q13-R48 WeakPolarHBondContact O-CG 3.27Å; Q13-R48 PolarHBondContact O-NE 2.92Å; Q13-R48 VanDerWaalsContact O-NE 3.12Å; A16-R48 HydrophobicContact CB-CG 4.38Å; R48-A50 PolarHBondContact O-N 2.95Å
49G97.8Very high96.3Very high41 Ų4167.8 Ų67.842%0.42336%0.356SS..THydrogen-bonded Turntrans75.35.3179.400000114.7G11 E47G11-G49 PolarHBondContact O-N 2.75Å; E47-G49 PolarHBondContact O-N 2.63Å
50A98.1Very high96.1Very high18 Ų1869.1 Ų69.115%0.14936%0.359CS..  trans-73.8158.3177.500000112.2T10 E47 R48T10-A50 PolarHBondContact N-O 2.71Å; E47-A50 HydrophobicContact CB-CB 3.93Å; E47-A50 WeakPolarHBondContact O-CB 3.34Å; E47-A50 PolarHBondContact O-N 2.94Å; R48-A50 PolarHBondContact O-N 2.95Å
51V98.4Very high96.1Very high82 Ų8272.8 Ų72.850%0.49738%0.377SS..EExtended strand (participates in β ladder)trans-131.1112.3171.8-179.60000106.7T7 V8 A9T7-V51 HydrophobicContact CG2-CG1 3.33Å; V8-V51 WeakPolarHBondContact O-CA 3.35Å; A9-V51 HydrophobicContact CB-CG2 4.25Å
52D98.4Very high96.3Very high1 Ų168.1 Ų68.11%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-113133.1-171.9-67.6-58.7000110.9T7 V8 K40 Y43 F46 Y54T7-D52 CarbonylContact C-O 3.5Å; T7-D52 VanDerWaalsContact CA-O 3.26Å; T7-D52 WeakPolarHBondContact CA-O 3.09Å; V8-D52 PolarHBondContact N-O 3.25Å; V8-D52 PolarHBondContact O-N 3.4Å; K40-D52 IonicContact NZ-OD1 2.74Å; K40-D52 PolarHBondContact NZ-OD1 2.87Å; Y43-D52 WeakPolarHBondContact CE1-OD1 3.47Å; Y43-D52 PolarHBondContact OH-OD1 2.87Å; F46-D52 PolarHBondContact N-OD2 2.82Å; D52-Y54 HydrophobicContact CB-CE2 3.62Å; D52-Y54 WeakPolarHBondContact CB-OH 3.28Å
53S98.1Very high96.4Very high60 Ų6058.7 Ų58.742%0.4231%0.313SS..EExtended strand (participates in β ladder)trans-116.3140.5179-600000112.2V6 T7 K40V6-S53 CarbonylContact O-C 3.57Å; V6-S53 VanDerWaalsContact O-CA 3.24Å; V6-S53 WeakPolarHBondContact O-CA 3.21Å; T7-S53 PolarHBondContact OG1-OG 3.4Å; K40-S53 WeakPolarHBondContact CE-O 3.45Å
54Y98.3Very high96.3Very high18 Ų1858 Ų587%0.07131%0.314CS..EExtended strand (participates in β ladder)trans-136.1141.2-176.4-52.9-92.8000110T5 V6 V8 L38 K40 D45 F46 D52T5-Y54 CarbonylContact C-O 3.59Å; T5-Y54 WeakPolarHBondContact CA-O 3.4Å; V6-Y54 PolarHBondContact N-O 3.14Å; V6-Y54 PolarHBondContact O-N 2.84Å; V8-Y54 HydrophobicContact CG2-CD2 4.43Å; V8-Y54 HydrophobicContact CG2-CE2 4.19Å; L38-Y54 HydrophobicContact CB-CD1 4.17Å; L38-Y54 HydrophobicContact CB-CD2 4.36Å; L38-Y54 HydrophobicContact CB-CE1 3.98Å; L38-Y54 HydrophobicContact CB-CE2 4.19Å; L38-Y54 HydrophobicContact CB-CG 4.35Å; L38-Y54 HydrophobicContact CD1-CD2 4.3Å; L38-Y54 HydrophobicContact CD1-CE2 4.36Å; L38-Y54 HydrophobicContact CD2-CD1 4.42Å; L38-Y54 HydrophobicContact CD2-CD2 4.24Å; L38-Y54 HydrophobicContact CD2-CG 4.01Å; K40-Y54 HydrophobicContact CD-CE1 4.41Å; K40-Y54 HydrophobicContact CG-CD1 4.13Å; K40-Y54 HydrophobicContact CG-CE1 3.83Å; D45-Y54 VanDerWaalsContact CB-OH 3.28Å; D45-Y54 WeakPolarHBondContact CB-OH 3.4Å; D45-Y54 PolarHBondContact OD1-OH 2.96Å; D45-Y54 WeakPolarHBondContact OD2-CE1 3.49Å; D45-Y54 PolarHBondContact OD2-OH 3.29Å; F46-Y54 HydrophobicContact CE1-CE2 4.03Å; F46-Y54 AromaticContact CE1-CZ 3.99Å; F46-Y54 VanDerWaalsContact CE1-OH 3.3Å; F46-Y54 WeakPolarHBondContact CE1-OH 3.35Å; F46-Y54 HydrophobicContact CZ-CE2 4.14Å; F46-Y54 AromaticContact CZ-CZ 3.73Å; F46-Y54 WeakPolarHBondContact CZ-OH 3.47Å; D52-Y54 HydrophobicContact CB-CE2 3.62Å; D52-Y54 WeakPolarHBondContact CB-OH 3.28Å
55D97.4Very high96.4Very high121 Ų12153.9 Ų53.965%0.64729%0.293SS*.EExtended strand (participates in β ladder)trans-94.6113.5170.1-69.2-44.8000109.5T5T5-D55 PolarHBondContact OG1-OD1 3.1Å; T5-D55 VanDerWaalsContact OG1-OD1 3.09Å
56V97.5Very high96.2Very high6 Ų656.1 Ų56.14%0.03630%0.303CS..EExtended strand (participates in β ladder)trans-105.5110.2-179.1174.30000108.4S3 Y4 V6 H36 L38 V58S3-V56 WeakPolarHBondContact CA-O 3.46Å; Y4-V56 PolarHBondContact N-O 3.33Å; Y4-V56 PolarHBondContact O-N 3.01Å; V6-V56 HydrophobicContact CB-CG2 4.44Å; V6-V56 HydrophobicContact CG2-CB 4.23Å; V6-V56 HydrophobicContact CG2-CG2 3.74Å; H36-V56 HydrophobicContact CB-CG1 4.35Å; H36-V56 VanDerWaalsContact CD2-CG1 3.45Å; H36-V56 WeakPolarHBondContact CD2-CG1 3.46Å; H36-V56 WeakPolarHBondContact NE2-CG1 3.48Å; L38-V56 HydrophobicContact CD2-CG2 4.18Å; V56-V58 HydrophobicContact CG1-CG1 4.14Å
57T97.1Very high96.1Very high62 Ų6256 Ų5638%0.3830%0.302SS..EExtended strand (participates in β ladder)trans-97.5129.2173.9-570000109M1 P2 H36M1-T57 HydrophobicContact CB-CG2 3.67Å; M1-T57 HydrophobicContact CE-CG2 4.14Å; M1-T57 HydrophobicContact CG-CG2 4.46Å; P2-T57 WeakPolarHBondContact O-CA 3.35Å; H36-T57 PolarHBondContact CE1-O 3.14Å; H36-T57 VanDerWaalsContact CE1-O 3.27Å
58V96Very high96.1Very high1 Ų152.5 Ų52.51%0.00629%0.286CS..  trans-111.8158.4179.6-56.20000110.2M1 P2 Y4 V56 E60 L62M1-V58 WeakPolarHBondContact CA-O 3.46Å; P2-V58 HydrophobicContact CB-CG2 4.28Å; P2-V58 WeakPolarHBondContact CD-O 3.26Å; P2-V58 HydrophobicContact CG-CG2 3.6Å; P2-V58 PolarHBondContact O-N 3.01Å; Y4-V58 HydrophobicContact CD2-CG1 4.34Å; Y4-V58 HydrophobicContact CD2-CG2 4.26Å; Y4-V58 HydrophobicContact CE2-CG1 4.39Å; Y4-V58 HydrophobicContact CE2-CG2 3.69Å; V56-V58 HydrophobicContact CG1-CG1 4.14Å; V58-E60 VanDerWaalsContact CG2-O 3.23Å; V58-E60 WeakPolarHBondContact CG2-O 3.47Å; V58-L62 HydrophobicContact CG1-CD1 4.25Å; V58-L62 HydrophobicContact CG2-CD1 4.25Å; V58-L62 HydrophobicContact CG2-CG 4.23Å
59D93Very high96.1Very high108 Ų10848.5 Ų48.558%0.57827%0.271SS*.SBendtrans-71.6-43.7-176.3-73.1-27.1000112.8
60E93.3Very high96.1Very high130 Ų13046.6 Ų46.661%0.60725%0.251SS*.SBendtrans-120.5161.8-173.1-61.9-172.8168.400112.8P2 V58 L62P2-E60 WeakPolarHBondContact CG-O 3.36Å; V58-E60 VanDerWaalsContact CG2-O 3.23Å; V58-E60 WeakPolarHBondContact CG2-O 3.47Å; E60-L62 PolarHBondContact O-N 2.95Å
61E93.7Very high96Very high126 Ų12647.1 Ų47.159%0.58925%0.25SS*.  trans-73.6124.6174.5-171.5173.3178.500110.9H92E61-H92 IonicContact OE1-CE1 3.6Å; E61-H92 IonicContact OE1-NE2 3.81Å
62L95Very high95.9Very high5 Ų543.2 Ų43.23%0.02623%0.227CC..  trans-90-7.3-173.6-54.6179.5000113.7Y4 L26 G28 S29 A30 V58 E60 I65Y4-L62 HydrophobicContact CE2-CD1 4.39Å; L26-L62 HydrophobicContact CB-CD1 3.59Å; L26-L62 HydrophobicContact CD1-CD1 4.23Å; G28-L62 CarbonylContact C-O 3.53Å; G28-L62 WeakPolarHBondContact CA-O 3.39Å; S29-L62 PolarHBondContact N-O 3.4Å; S29-L62 VanDerWaalsContact N-O 3.11Å; A30-L62 PolarHBondContact N-O 3.11Å; V58-L62 HydrophobicContact CG1-CD1 4.25Å; V58-L62 HydrophobicContact CG2-CD1 4.25Å; V58-L62 HydrophobicContact CG2-CG 4.23Å; E60-L62 PolarHBondContact O-N 2.95Å; L62-I65 HydrophobicContact CB-CD1 3.87Å; L62-I65 HydrophobicContact CD1-CD1 4.05Å
63G93.8Very high95.7Very high30 Ų3048.1 Ų48.131%0.30925%0.245SC..  trans71.9-148.8-171.200000112.5I65G63-I65 PolarHBondContact O-N 3.04Å
64E93.3Very high95.5Very high107 Ų10749.4 Ų49.450%0.524%0.243SC..SBendtrans-71.6122.9176.4-174.8-179.2-17300109.4G28 S29 Q66 R116G28-E64 CarbonylContact C-O 3.43Å; G28-E64 WeakPolarHBondContact CA-O 3.38Å; S29-E64 PolarHBondContact N-O 3.27Å; S29-E64 PolarHBondContact OG-N 2.89Å; S29-E64 VanDerWaalsContact OG-N 3.1Å; E64-Q66 PolarHBondContact O-N 2.9Å; E64-R116 IonicContact OE1-NH1 3.15Å; E64-R116 IonicContact OE1-NH2 2.71Å; E64-R116 PolarHBondContact OE1-NH2 3.35Å
65I95.3Very high95Very high3 Ų355.4 Ų55.42%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-70.2124.5177.6-56.2-54.8000109.5Y4 L26 L62 G63 L88 I96 F98Y4-I65 HydrophobicContact CE1-CD1 4.06Å; Y4-I65 HydrophobicContact CE1-CG1 3.98Å; L26-I65 HydrophobicContact CB-CD1 4.28Å; L62-I65 HydrophobicContact CB-CD1 3.87Å; L62-I65 HydrophobicContact CD1-CD1 4.05Å; G63-I65 PolarHBondContact O-N 3.04Å; I65-L88 HydrophobicContact CG1-CD2 4.11Å; I65-I96 HydrophobicContact CB-CD1 4.13Å; I65-F98 HydrophobicContact CG2-CE2 4.45Å; I65-F98 HydrophobicContact CG2-CZ 3.74Å
66Q91.9Very high94.4Very high54 Ų5459 Ų5925%0.25227%0.271SS..EExtended strand (participates in β ladder)trans-108.7-36.3-178.2-58.5-170.9-41.700111.9V27 E64V27-Q66 PolarHBondContact O-N 3.19Å; E64-Q66 PolarHBondContact O-N 2.9Å
67L95.6Very high93.8Very high5 Ų564.1 Ų64.13%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-137.5150.5-177.4-44.2163.9000111.2V27 V111 L112 R113 L127V27-L67 HydrophobicContact CB-CB 3.98Å; V27-L67 HydrophobicContact CB-CD1 4.38Å; V27-L67 HydrophobicContact CB-CG 4.49Å; V27-L67 HydrophobicContact CG1-CD1 4.27Å; V27-L67 HydrophobicContact CG2-CB 4.35Å; V27-L67 PolarHBondContact N-O 2.96Å; V27-L67 PolarHBondContact O-N 2.9Å; V27-L67 VanDerWaalsContact O-N 3.07Å; L67-V111 HydrophobicContact CB-CG1 3.94Å; L67-V111 HydrophobicContact CD1-CG1 3.99Å; L67-V111 HydrophobicContact CD2-CG1 4.09Å; L67-V111 HydrophobicContact CG-CG1 4.24Å; L67-L112 VanDerWaalsContact CA-O 3.24Å; L67-L112 WeakPolarHBondContact CA-O 3.39Å; L67-R113 HydrophobicContact CD2-CB 4.43Å; L67-R113 HydrophobicContact CD2-CG 3.37Å; L67-L127 HydrophobicContact CD1-CB 3.94Å; L67-L127 HydrophobicContact CD1-CD1 4.4Å; L67-L127 HydrophobicContact CD2-CD1 4.33Å
68V97.6Very high93Very high0 Ų066 Ų660%031%0.306CS..EExtended strand (participates in β ladder)trans-114.7128.61641760000108.2L24 L26 I70 I86 F98 L112L24-V68 HydrophobicContact CD1-CG1 3.91Å; L24-V68 HydrophobicContact CG-CG1 4.1Å; L26-V68 HydrophobicContact CD2-CG2 4.01Å; V68-I70 HydrophobicContact CG1-CD1 4.33Å; V68-I70 HydrophobicContact CG1-CG1 4.3Å; V68-I86 HydrophobicContact CG1-CD1 3.97Å; V68-F98 HydrophobicContact CB-CD1 4.28Å; V68-F98 HydrophobicContact CB-CG 4.27Å; V68-F98 HydrophobicContact CG2-CD1 3.87Å; V68-F98 HydrophobicContact CG2-CD2 3.59Å; V68-F98 HydrophobicContact CG2-CE1 3.88Å; V68-F98 HydrophobicContact CG2-CE2 3.57Å; V68-F98 HydrophobicContact CG2-CG 3.75Å; V68-F98 HydrophobicContact CG2-CZ 3.74Å; V68-L112 PolarHBondContact N-O 2.84Å; V68-L112 PolarHBondContact O-N 2.9Å
69R97.8Very high92.7Very high41 Ų4167.7 Ų67.716%0.15532%0.315CS..EExtended strand (participates in β ladder)trans-100.8131.5171.5-58.4-175.4178.9177.2-2.8108.9L24 S25 V27 E109 V110 V111 C131L24-R69 VanDerWaalsContact CA-O 3.32Å; L24-R69 WeakPolarHBondContact CA-O 3.47Å; S25-R69 PolarHBondContact N-O 3.15Å; S25-R69 PolarHBondContact O-N 2.76Å; V27-R69 HydrophobicContact CG2-CG 4.11Å; R69-E109 HydrophobicContact CB-CG 4.48Å; R69-V110 CarbonylContact C-O 3.18Å; R69-V110 WeakPolarHBondContact CA-O 3.39Å; R69-V111 HydrophobicContact CG-CG2 4.22Å; R69-C131 PolarHBondContact NH2-SG 3.19Å; R69-C131 VanDerWaalsContact NH2-SG 3.39Å
70I97.9Very high92.8Very high0 Ų066.3 Ų66.30%031%0.307CS..EExtended strand (participates in β ladder)trans-119.5127.4173.3-71-57.2000108.2I22 Y23 L24 V68 W81 L83 I86 I104 E109 V110I22-I70 HydrophobicContact CG2-CD1 4.38Å; I22-I70 HydrophobicContact CG2-CG2 4.18Å; Y23-I70 CarbonylContact O-C 3.59Å; Y23-I70 WeakPolarHBondContact O-CA 3.35Å; L24-I70 HydrophobicContact CB-CD1 3.9Å; L24-I70 HydrophobicContact CD1-CD1 3.89Å; L24-I70 HydrophobicContact CG-CD1 4.07Å; V68-I70 HydrophobicContact CG1-CD1 4.33Å; V68-I70 HydrophobicContact CG1-CG1 4.3Å; I70-W81 HydrophobicContact CG2-CZ3 3.9Å; I70-L83 HydrophobicContact CG1-CD2 4.45Å; I70-I86 HydrophobicContact CD1-CD1 3.51Å; I70-I86 HydrophobicContact CG1-CD1 3.47Å; I70-I86 VanDerWaalsContact CG1-CD1 3.47Å; I70-I104 HydrophobicContact CG2-CD1 4.19Å; I70-E109 CarbonylContact O-C 3.55Å; I70-E109 WeakPolarHBondContact O-CA 3.31Å; I70-V110 PolarHBondContact N-O 2.95Å; I70-V110 PolarHBondContact O-N 3.1Å
71E97.3Very high93Very high30 Ų3060.1 Ų60.114%0.1428%0.279CS..EExtended strand (participates in β ladder)trans-118.7120.3172.6-179.6-175.5-176.600108.5Y23 K35 R73Y23-E71 PolarHBondContact N-O 2.84Å; Y23-E71 PolarHBondContact O-N 2.88Å; K35-E71 WeakPolarHBondContact CD-OE2 3.17Å; K35-E71 VanDerWaalsContact CE-OE2 3.28Å; K35-E71 WeakPolarHBondContact CE-OE2 3.29Å; K35-E71 IonicContact NZ-OE1 3.84Å; K35-E71 IonicContact NZ-OE2 3.95Å; K35-E71 PolarHBondContact NZ-OE2 2.88Å; E71-R73 HydrophobicContact CG-CG 4.14Å; E71-R73 IonicContact OE1-CZ 3.57Å; E71-R73 IonicContact OE1-NE 2.6Å; E71-R73 PolarHBondContact OE1-NE 2.92Å; E71-R73 IonicContact OE1-NH2 3.18Å; E71-R73 PolarHBondContact OE1-NH2 2.84Å; E71-R73 IonicContact OE2-NE 2.95Å; E71-R73 IonicContact OE2-NH2 3.78Å
72K95.8Very high93.2Very high0 Ų056 Ų560%026%0.258CS..EExtended strand (participates in β ladder)trans-90.3131.7170.2-170174.585.783.20108.3D20 Y21 I22 D79 W81 I104 G106 D107 V108D20-K72 HydrophobicContact CB-CD 4.27Å; D20-K72 HydrophobicContact CB-CG 3.86Å; D20-K72 IonicContact OD2-NZ 3.89Å; D20-K72 PolarHBondContact OD2-NZ 2.82Å; Y21-K72 CarbonylContact O-C 3.52Å; Y21-K72 WeakPolarHBondContact O-CA 3.36Å; I22-K72 HydrophobicContact CD1-CB 4.1Å; I22-K72 HydrophobicContact CD1-CD 4.3Å; I22-K72 HydrophobicContact CD1-CG 3.75Å; K72-D79 PolarHBondContact NZ-O 2.83Å; K72-D79 IonicContact NZ-OD1 3.88Å; K72-W81 HydrophobicContact CD-CB 4.14Å; K72-I104 HydrophobicContact CB-CG2 3.98Å; K72-I104 HydrophobicContact CD-CG2 4.27Å; K72-I104 WeakPolarHBondContact CE-O 3.48Å; K72-G106 WeakPolarHBondContact CE-O 3.48Å; K72-D107 WeakPolarHBondContact O-CA 3.21Å; K72-V108 PolarHBondContact N-O 3.37Å
73R94.8Very high93.4Very high103 Ų10355.8 Ų55.839%0.38926%0.257SS..EExtended strand (participates in β ladder)trans-128.7131.7172-66.3-169.5178171.2-1.1110.7D20 Y21 Y23 E71 Y75 D107D20-R73 WeakPolarHBondContact CB-O 3.43Å; Y21-R73 PolarHBondContact N-O 2.85Å; Y21-R73 PolarHBondContact O-N 2.84Å; Y23-R73 HydrophobicContact CD2-CG 4.18Å; Y23-R73 HydrophobicContact CE2-CB 4.1Å; Y23-R73 HydrophobicContact CE2-CG 3.94Å; E71-R73 HydrophobicContact CG-CG 4.14Å; E71-R73 IonicContact OE1-CZ 3.57Å; E71-R73 IonicContact OE1-NE 2.6Å; E71-R73 PolarHBondContact OE1-NE 2.92Å; E71-R73 IonicContact OE1-NH2 3.18Å; E71-R73 PolarHBondContact OE1-NH2 2.84Å; E71-R73 IonicContact OE2-NE 2.95Å; E71-R73 IonicContact OE2-NH2 3.78Å; R73-Y75 PolarHBondContact O-N 2.98Å; R73-D107 WeakPolarHBondContact CA-OD1 3.17Å
74K93.9Very high93.6Very high88 Ų8857.6 Ų57.638%0.38326%0.256SS..  trans-50.9127.6176.7-173-178176.3177.80112.6D20 W76 N78 D107D20-K74 VanDerWaalsContact OD1-CA 3.28Å; D20-K74 WeakPolarHBondContact OD1-CA 3.27Å; K74-W76 WeakPolarHBondContact CE-O 3.38Å; K74-W76 PolarHBondContact NZ-O 3.08Å; K74-N78 WeakPolarHBondContact CD-OD1 3.28Å; K74-D107 WeakPolarHBondContact CB-OD1 2.84Å; K74-D107 PolarHBondContact N-OD1 3.36Å
75Y87.1Confident93.8Very high144 Ų14455 Ų5557%0.56524%0.242SC*.SBendtrans-85.9-61.1167.5176-132.9000111.7D19 D20 Y21 R73D19-Y75 WeakPolarHBondContact O-CB 2.9Å; D20-Y75 PolarHBondContact OD1-N 2.87Å; Y21-Y75 HydrophobicContact CD2-CD2 4.46Å; Y21-Y75 HydrophobicContact CE1-CD2 4.12Å; Y21-Y75 AromaticContact CE2-CD2 3.46Å; Y21-Y75 HydrophobicContact CE2-CD2 3.46Å; Y21-Y75 VanDerWaalsContact CE2-CD2 3.46Å; Y21-Y75 HydrophobicContact CE2-CE2 4.36Å; Y21-Y75 HydrophobicContact CE2-CG 4.12Å; Y21-Y75 AromaticContact CZ-CD2 3.25Å; Y21-Y75 AromaticContact CZ-CE2 3.79Å; Y21-Y75 WeakPolarHBondContact OH-CD2 3.34Å; Y21-Y75 WeakPolarHBondContact OH-CE2 3.41Å; R73-Y75 PolarHBondContact O-N 2.98Å
76W84.3Confident94Very high196 Ų19654.9 Ų54.974%0.74224%0.241SC*.SBendtrans-138.6-48.9-176.7-16268.2000114.2K74K74-W76 WeakPolarHBondContact CE-O 3.38Å; K74-W76 PolarHBondContact NZ-O 3.08Å
77L84.6Confident94.3Very high114 Ų11453.8 Ų53.860%0.59724%0.238SC*.SBendtrans-117.8148.9171.7-69.8169.7000108.4D79L77-D79 PolarHBondContact O-N 3.4Å
78N80.4Confident94.4Very high102 Ų10253.5 Ų53.555%0.54524%0.237SC..  trans-73.3123.3172.3-83.2-38.2000108K74K74-N78 WeakPolarHBondContact CD-OD1 3.28Å
79D89.8Confident94.4Very high36 Ų3657.5 Ų57.519%0.19325%0.254CS..  trans-116.5164.9161.661.625.3000110.5T18 D19 K72 L77T18-D79 WeakPolarHBondContact CA-OD2 3.06Å; T18-D79 WeakPolarHBondContact CB-OD1 3.38Å; T18-D79 PolarHBondContact OG1-OD1 2.81Å; T18-D79 PolarHBondContact OG1-OD2 3.3Å; T18-D79 VanDerWaalsContact OG1-OD2 3.13Å; D19-D79 PolarHBondContact N-OD2 3.22Å; K72-D79 PolarHBondContact NZ-O 2.83Å; K72-D79 IonicContact NZ-OD1 3.88Å; L77-D79 PolarHBondContact O-N 3.4Å
80D95.6Very high94.3Very high79 Ų7956.1 Ų56.142%0.42225%0.25SS..EExtended strand (participates in β ladder)trans-102144.1172.7-66.3-26.6000108W103 T105D80-W103 HydrophobicContact CB-CE3 3.66Å; D80-W103 HydrophobicContact CB-CZ3 3.89Å; D80-T105 HydrophobicContact CB-CG2 4.07Å; D80-T105 VanDerWaalsContact CG-CG2 3.49Å; D80-T105 VanDerWaalsContact OD1-CB 3.29Å; D80-T105 WeakPolarHBondContact OD1-CB 3.48Å; D80-T105 WeakPolarHBondContact OD1-CG2 3.28Å
81W97.8Very high94.2Very high0 Ų059 Ų590%027%0.269CS..EExtended strand (participates in β ladder)trans-119.9127.8179.7-178.345.6000110.6V8 T10 T18 I22 F46 I70 K72 L83 W103 I104V8-W81 HydrophobicContact CG1-CH2 3.63Å; V8-W81 HydrophobicContact CG1-CZ2 3.49Å; V8-W81 VanDerWaalsContact CG1-CZ2 3.49Å; T10-W81 PolarHBondContact OG1-NE1 2.86Å; T10-W81 VanDerWaalsContact OG1-NE1 3.1Å; T18-W81 HydrophobicContact CG2-CB 3.8Å; T18-W81 HydrophobicContact CG2-CD2 3.92Å; T18-W81 HydrophobicContact CG2-CG 3.45Å; T18-W81 VanDerWaalsContact CG2-CG 3.45Å; I22-W81 HydrophobicContact CD1-CD2 4.42Å; I22-W81 HydrophobicContact CD1-CE3 3.79Å; I22-W81 HydrophobicContact CD1-CZ3 3.84Å; I22-W81 HydrophobicContact CG1-CH2 4.46Å; I22-W81 HydrophobicContact CG1-CZ3 4.23Å; I22-W81 HydrophobicContact CG2-CH2 4.09Å; I22-W81 HydrophobicContact CG2-CZ3 3.97Å; F46-W81 HydrophobicContact CD1-CH2 4.36Å; F46-W81 AromaticContact CD1-CZ2 3.76Å; F46-W81 HydrophobicContact CD1-CZ2 3.76Å; F46-W81 HydrophobicContact CE1-CZ2 4.38Å; F46-W81 HydrophobicContact CG-CZ2 4.34Å; I70-W81 HydrophobicContact CG2-CZ3 3.9Å; K72-W81 HydrophobicContact CD-CB 4.14Å; W81-L83 HydrophobicContact CD2-CB 4.4Å; W81-L83 HydrophobicContact CE3-CB 4.34Å; W81-L83 HydrophobicContact CH2-CB 4.23Å; W81-L83 HydrophobicContact CH2-CD1 3.74Å; W81-L83 HydrophobicContact CH2-CD2 4.04Å; W81-L83 HydrophobicContact CH2-CG 4.21Å; W81-L83 HydrophobicContact CZ2-CB 4.28Å; W81-L83 HydrophobicContact CZ2-CD1 3.77Å; W81-L83 HydrophobicContact CZ2-CG 4.47Å; W81-L83 HydrophobicContact CZ3-CB 4.26Å; W81-L83 HydrophobicContact CZ3-CD2 4.11Å; W81-W103 CarbonylContact O-C 3.51Å; W81-W103 WeakPolarHBondContact O-CA 3.1Å; W81-I104 HydrophobicContact CE3-CB 4.45Å; W81-I104 HydrophobicContact CE3-CD1 3.83Å; W81-I104 HydrophobicContact CZ3-CD1 3.99Å; W81-I104 PolarHBondContact N-O 2.58Å; W81-I104 PolarHBondContact O-N 3.13Å
82Y98.3Very high94Very high39 Ų3963.8 Ų63.815%0.15329%0.291CS..EExtended strand (participates in β ladder)trans-95.1105.9172.5-167.4-80.8000109.9G11 A16 K84 Y101 W103G11-Y82 PolarHBondContact N-O 3.02Å; A16-Y82 PolarHBondContact O-N 3Å; Y82-K84 HydrophobicContact CD1-CG 4.25Å; Y82-K84 HydrophobicContact CE1-CG 4.12Å; Y82-Y101 PolarHBondContact OH-O 2.77Å; Y82-W103 AromaticContact CD2-CD1 3.78Å; Y82-W103 AromaticContact CD2-CD2 3.78Å; Y82-W103 HydrophobicContact CD2-CD2 3.78Å; Y82-W103 AromaticContact CD2-CE2 3.63Å; Y82-W103 HydrophobicContact CD2-CE3 4.45Å; Y82-W103 AromaticContact CD2-CG 3.9Å; Y82-W103 HydrophobicContact CD2-CG 3.9Å; Y82-W103 HydrophobicContact CD2-CZ2 4.2Å; Y82-W103 AromaticContact CD2-NE1 3.6Å; Y82-W103 HydrophobicContact CG-CD2 4.45Å
83L98.4Very high93.8Very high0 Ų065.7 Ų65.70%031%0.311CS..EExtended strand (participates in β ladder)trans-90.6121.7175177.357.3000109.8V8 I70 W81 I86 C100 Y101 R102 I104 L112V8-L83 HydrophobicContact CG1-CD1 3.64Å; I70-L83 HydrophobicContact CG1-CD2 4.45Å; W81-L83 HydrophobicContact CD2-CB 4.4Å; W81-L83 HydrophobicContact CE3-CB 4.34Å; W81-L83 HydrophobicContact CH2-CB 4.23Å; W81-L83 HydrophobicContact CH2-CD1 3.74Å; W81-L83 HydrophobicContact CH2-CD2 4.04Å; W81-L83 HydrophobicContact CH2-CG 4.21Å; W81-L83 HydrophobicContact CZ2-CB 4.28Å; W81-L83 HydrophobicContact CZ2-CD1 3.77Å; W81-L83 HydrophobicContact CZ2-CG 4.47Å; W81-L83 HydrophobicContact CZ3-CB 4.26Å; W81-L83 HydrophobicContact CZ3-CD2 4.11Å; L83-I86 HydrophobicContact CD1-CG1 4.16Å; L83-I86 HydrophobicContact CD2-CD1 4.1Å; L83-I86 HydrophobicContact CD2-CG1 4.22Å; L83-C100 HydrophobicContact CB-CB 4.28Å; L83-C100 HydrophobicContact CD2-CB 3.98Å; L83-C100 HydrophobicContact CG-CB 3.79Å; L83-Y101 WeakPolarHBondContact O-CA 3.4Å; L83-Y101 PolarHBondContact O-N 3.09Å; L83-R102 PolarHBondContact N-O 2.78Å; L83-R102 PolarHBondContact O-N 3Å; L83-I104 HydrophobicContact CB-CD1 3.9Å; L83-I104 HydrophobicContact CD2-CD1 3.9Å; L83-L112 HydrophobicContact CD2-CD1 4.16Å
84K98.1Very high93.8Very high69 Ų6965.1 Ų65.130%0.332%0.315SS..EExtended strand (participates in β ladder)trans-76.9-62.4173.6-64.7172.463.8-169.30110.5A9 T10 Y82 C100 Y101A9-K84 HydrophobicContact CB-CB 4.23Å; A9-K84 VanDerWaalsContact O-CB 3.29Å; A9-K84 WeakPolarHBondContact O-CB 3.3Å; A9-K84 PolarHBondContact O-N 2.75Å; T10-K84 VanDerWaalsContact O-CD 3.31Å; T10-K84 WeakPolarHBondContact O-CD 3.26Å; Y82-K84 HydrophobicContact CD1-CG 4.25Å; Y82-K84 HydrophobicContact CE1-CG 4.12Å; K84-C100 PolarHBondContact O-N 3.39Å; K84-Y101 HydrophobicContact CB-CD1 4.11Å; K84-Y101 HydrophobicContact CB-CE1 3.98Å; K84-Y101 WeakPolarHBondContact O-CD1 3.37Å; K84-Y101 PolarHBondContact O-N 3.48Å
85Y98.1Very high93.8Very high53 Ų5368.7 Ų68.721%0.20833%0.328CS..EExtended strand (participates in β ladder)trans-160165-177.258.4-101.5000110.1A9 T87 F98 Y101A9-Y85 HydrophobicContact CB-CD1 4.04Å; A9-Y85 HydrophobicContact CB-CD2 3.85Å; A9-Y85 HydrophobicContact CB-CE1 3.69Å; A9-Y85 HydrophobicContact CB-CE2 3.48Å; A9-Y85 VanDerWaalsContact CB-CE2 3.48Å; A9-Y85 HydrophobicContact CB-CG 4.12Å; A9-Y85 PolarHBondContact N-O 3.18Å; Y85-T87 HydrophobicContact CD2-CG2 3.82Å; Y85-T87 HydrophobicContact CE2-CG2 3.89Å; Y85-F98 WeakPolarHBondContact CA-O 3.29Å; Y85-Y101 HydrophobicContact CD1-CE1 4.4Å
86I98.4Very high94.2Very high0 Ų062.7 Ų62.70%031%0.305CS..EExtended strand (participates in β ladder)trans-118.4135.4165.7-65.4177.8000107.8V6 T7 V8 V68 I70 L83 F98 L112V6-I86 HydrophobicContact CG1-CG2 3.84Å; T7-I86 CarbonylContact O-C 3.48Å; T7-I86 VanDerWaalsContact O-CA 3.27Å; T7-I86 WeakPolarHBondContact O-CA 3.24Å; V8-I86 HydrophobicContact CG2-CG1 4.32Å; V68-I86 HydrophobicContact CG1-CD1 3.97Å; I70-I86 HydrophobicContact CD1-CD1 3.51Å; I70-I86 HydrophobicContact CG1-CD1 3.47Å; I70-I86 VanDerWaalsContact CG1-CD1 3.47Å; L83-I86 HydrophobicContact CD1-CG1 4.16Å; L83-I86 HydrophobicContact CD2-CD1 4.1Å; L83-I86 HydrophobicContact CD2-CG1 4.22Å; I86-F98 HydrophobicContact CB-CB 4.32Å; I86-F98 PolarHBondContact N-O 2.84Å; I86-F98 PolarHBondContact O-N 2.92Å; I86-L112 HydrophobicContact CD1-CD1 4.11Å; I86-L112 HydrophobicContact CG1-CD1 4.4Å
87T98.1Very high94.8Very high30 Ų3057.7 Ų57.718%0.18429%0.29CS..EExtended strand (participates in β ladder)trans-110.8148.1164.665.60000110.2T7 Y85 I96 E97T7-T87 WeakPolarHBondContact CB-OG1 3.19Å; T7-T87 PolarHBondContact N-O 2.86Å; T7-T87 PolarHBondContact O-N 3.01Å; Y85-T87 HydrophobicContact CD2-CG2 3.82Å; Y85-T87 HydrophobicContact CE2-CG2 3.89Å; T87-I96 CarbonylContact C-O 3.51Å; T87-I96 VanDerWaalsContact CA-O 3.27Å; T87-I96 WeakPolarHBondContact CA-O 3.31Å; T87-E97 HydrophobicContact CG2-CB 4.19Å; T87-E97 HydrophobicContact CG2-CG 4.07Å
88L97.9Very high95.4Very high0 Ų052.2 Ų52.20%026%0.261CS..EExtended strand (participates in β ladder)trans-130.1125.7-178.3-179.8138.5000108.7Y4 T5 L26 I65 T90 Y95 I96 F98Y4-L88 HydrophobicContact CD1-CD1 4.08Å; Y4-L88 HydrophobicContact CD1-CD2 3.73Å; Y4-L88 HydrophobicContact CD1-CG 4.08Å; Y4-L88 HydrophobicContact CE1-CD2 4.24Å; T5-L88 WeakPolarHBondContact O-CA 3.43Å; L26-L88 HydrophobicContact CD1-CD1 3.82Å; L26-L88 HydrophobicContact CD2-CD1 3.32Å; L26-L88 HydrophobicContact CG-CD1 4.22Å; I65-L88 HydrophobicContact CG1-CD2 4.11Å; L88-T90 HydrophobicContact CD2-CG2 3.55Å; L88-Y95 WeakPolarHBondContact O-CA 3.27Å; L88-I96 HydrophobicContact CD2-CD1 4.27Å; L88-I96 PolarHBondContact N-O 2.82Å; L88-I96 PolarHBondContact O-N 2.89Å; L88-F98 HydrophobicContact CB-CE2 4.1Å
89K97.9Very high96.2Very high84 Ų8449.6 Ų49.637%0.36525%0.25SC..EExtended strand (participates in β ladder)trans-97.6117.8167.9-170.7-175-177.1176.60108.8Y4 T5 D94 Y95Y4-K89 WeakPolarHBondContact CA-O 3.34Å; T5-K89 PolarHBondContact N-O 2.6Å; T5-K89 VanDerWaalsContact N-O 3.08Å; T5-K89 PolarHBondContact O-N 2.69Å; K89-D94 CarbonylContact C-O 3.59Å; K89-D94 VanDerWaalsContact CA-O 3.28Å; K89-D94 WeakPolarHBondContact CA-O 3.46Å; K89-Y95 HydrophobicContact CB-CD1 4.18Å; K89-Y95 HydrophobicContact CB-CE1 3.86Å; K89-Y95 HydrophobicContact CD-CE1 3.96Å; K89-Y95 HydrophobicContact CD-CE2 4.27Å; K89-Y95 WeakPolarHBondContact CD-OH 3.27Å; K89-Y95 VanDerWaalsContact CE-OH 3.27Å; K89-Y95 WeakPolarHBondContact CE-OH 3.17Å; K89-Y95 HydrophobicContact CG-CD1 4.34Å; K89-Y95 HydrophobicContact CG-CE1 3.82Å; K89-Y95 HydrophobicContact CG-CE2 4.08Å; K89-Y95 PolarHBondContact NZ-OH 3.4Å
90T96.4Very high96.5Very high12 Ų1248.8 Ų48.87%0.07425%0.247CC..  trans-75.8160.2179.973.30000111Y4 L88 H92 G93 D94 I96Y4-T90 HydrophobicContact CE1-CG2 4.31Å; L88-T90 HydrophobicContact CD2-CG2 3.55Å; T90-H92 PolarHBondContact O-N 2.77Å; T90-H92 VanDerWaalsContact O-N 3.1Å; T90-H92 PolarHBondContact OG1-N 3.37Å; T90-G93 PolarHBondContact O-N 3.33Å; T90-G93 PolarHBondContact OG1-N 2.8Å; T90-D94 HydrophobicContact CG2-CB 3.89Å; T90-D94 PolarHBondContact N-O 2.83Å; T90-D94 WeakPolarHBondContact OG1-CB 3.43Å; T90-D94 PolarHBondContact OG1-N 2.83Å; T90-D94 PolarHBondContact OG1-OD2 2.87Å; T90-I96 HydrophobicContact CG2-CD1 4.06Å
91P94.7Very high96.6Very high59 Ų5950.7 Ų50.738%0.38325%0.249SC..THydrogen-bonded Turntrans-54.6-26169.3-20.123.4000113.4P2 S3 Y4 G93P2-P91 HydrophobicContact CB-CB 4.25Å; P2-P91 HydrophobicContact CB-CG 3.4Å; S3-P91 WeakPolarHBondContact O-CD 2.99Å; S3-P91 VanDerWaalsContact O-CG 3.29Å; S3-P91 WeakPolarHBondContact O-CG 3.04Å; Y4-P91 VanDerWaalsContact CD1-CD 3.5Å; Y4-P91 HydrophobicContact CD1-CG 4.48Å; Y4-P91 HydrophobicContact CD2-CG 4.44Å; Y4-P91 HydrophobicContact CE1-CG 4.18Å; Y4-P91 HydrophobicContact CE2-CG 4.11Å; P91-G93 VanDerWaalsContact C-N 3.32Å
92H93.1Very high96.5Very high131 Ų13156.3 Ų56.361%0.60627%0.27SS*.THydrogen-bonded Turntrans-85.2-5.4-179.1-56.796000113.1E61 T90E61-H92 IonicContact OE1-CE1 3.6Å; E61-H92 IonicContact OE1-NE2 3.81Å; T90-H92 PolarHBondContact O-N 2.77Å; T90-H92 VanDerWaalsContact O-N 3.1Å; T90-H92 PolarHBondContact OG1-N 3.37Å
93G92.5Very high96.5Very high40 Ų4059.4 Ų59.441%0.41228%0.281SS..SBendtrans924.617800000114.8T90 P91T90-G93 PolarHBondContact O-N 3.33Å; T90-G93 PolarHBondContact OG1-N 2.8Å; P91-G93 VanDerWaalsContact C-N 3.32Å
94D93.4Very high96.4Very high91 Ų9159.5 Ų59.549%0.48728%0.282SS..  trans-71.1148.5174.2-47.7-63000110.7K89 T90K89-D94 CarbonylContact C-O 3.59Å; K89-D94 VanDerWaalsContact CA-O 3.28Å; K89-D94 WeakPolarHBondContact CA-O 3.46Å; T90-D94 HydrophobicContact CG2-CB 3.89Å; T90-D94 PolarHBondContact N-O 2.83Å; T90-D94 WeakPolarHBondContact OG1-CB 3.43Å; T90-D94 PolarHBondContact OG1-N 2.83Å; T90-D94 PolarHBondContact OG1-OD2 2.87Å
95Y95.4Very high96.2Very high164 Ų16459.5 Ų59.564%0.64329%0.288SS*.EExtended strand (participates in β ladder)trans-116.9124.5172.4-76.6-92.2000109.5L88 K89L88-Y95 WeakPolarHBondContact O-CA 3.27Å; K89-Y95 HydrophobicContact CB-CD1 4.18Å; K89-Y95 HydrophobicContact CB-CE1 3.86Å; K89-Y95 HydrophobicContact CD-CE1 3.96Å; K89-Y95 HydrophobicContact CD-CE2 4.27Å; K89-Y95 WeakPolarHBondContact CD-OH 3.27Å; K89-Y95 VanDerWaalsContact CE-OH 3.27Å; K89-Y95 WeakPolarHBondContact CE-OH 3.17Å; K89-Y95 HydrophobicContact CG-CD1 4.34Å; K89-Y95 HydrophobicContact CG-CE1 3.82Å; K89-Y95 HydrophobicContact CG-CE2 4.08Å; K89-Y95 PolarHBondContact NZ-OH 3.4Å
96I95.8Very high95.8Very high18 Ų1858 Ų589%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-124.6133-178-48.4174.5000108.3I65 T87 L88 T90 F98 D114I65-I96 HydrophobicContact CB-CD1 4.13Å; T87-I96 CarbonylContact C-O 3.51Å; T87-I96 VanDerWaalsContact CA-O 3.27Å; T87-I96 WeakPolarHBondContact CA-O 3.31Å; L88-I96 HydrophobicContact CD2-CD1 4.27Å; L88-I96 PolarHBondContact N-O 2.82Å; L88-I96 PolarHBondContact O-N 2.89Å; T90-I96 HydrophobicContact CG2-CD1 4.06Å; I96-F98 HydrophobicContact CB-CE2 3.85Å; I96-F98 HydrophobicContact CB-CZ 4.25Å; I96-F98 HydrophobicContact CG2-CD2 4.26Å; I96-F98 HydrophobicContact CG2-CE1 4.32Å; I96-F98 HydrophobicContact CG2-CE2 3.48Å; I96-F98 VanDerWaalsContact CG2-CE2 3.48Å; I96-F98 HydrophobicContact CG2-CZ 3.5Å; I96-D114 HydrophobicContact CG2-CB 3.84Å
97E96.6Very high95.5Very high90 Ų9063.2 Ų63.242%0.42132%0.317SS..EExtended strand (participates in β ladder)trans-109133.9175.8-176.1173.3126.100110.7T87 P99 D114 G115T87-E97 HydrophobicContact CG2-CB 4.19Å; T87-E97 HydrophobicContact CG2-CG 4.07Å; E97-P99 WeakPolarHBondContact O-CD 3.14Å; E97-D114 WeakPolarHBondContact O-CA 3.21Å; E97-G115 PolarHBondContact O-N 2.88Å
98F97.4Very high95.2Very high0 Ų064.7 Ų64.70%033%0.325CS..EExtended strand (participates in β ladder)trans-116.491.8178-63-88.6000108.3I65 V68 Y85 I86 L88 I96 L112 R113 D114I65-F98 HydrophobicContact CG2-CE2 4.45Å; I65-F98 HydrophobicContact CG2-CZ 3.74Å; V68-F98 HydrophobicContact CB-CD1 4.28Å; V68-F98 HydrophobicContact CB-CG 4.27Å; V68-F98 HydrophobicContact CG2-CD1 3.87Å; V68-F98 HydrophobicContact CG2-CD2 3.59Å; V68-F98 HydrophobicContact CG2-CE1 3.88Å; V68-F98 HydrophobicContact CG2-CE2 3.57Å; V68-F98 HydrophobicContact CG2-CG 3.75Å; V68-F98 HydrophobicContact CG2-CZ 3.74Å; Y85-F98 WeakPolarHBondContact CA-O 3.29Å; I86-F98 HydrophobicContact CB-CB 4.32Å; I86-F98 PolarHBondContact N-O 2.84Å; I86-F98 PolarHBondContact O-N 2.92Å; L88-F98 HydrophobicContact CB-CE2 4.1Å; I96-F98 HydrophobicContact CB-CE2 3.85Å; I96-F98 HydrophobicContact CB-CZ 4.25Å; I96-F98 HydrophobicContact CG2-CD2 4.26Å; I96-F98 HydrophobicContact CG2-CE1 4.32Å; I96-F98 HydrophobicContact CG2-CE2 3.48Å; I96-F98 VanDerWaalsContact CG2-CE2 3.48Å; I96-F98 HydrophobicContact CG2-CZ 3.5Å; F98-L112 HydrophobicContact CB-CB 3.93Å; F98-L112 HydrophobicContact CB-CD1 4.15Å; F98-L112 HydrophobicContact CD1-CB 4.32Å; F98-R113 VanDerWaalsContact CD1-C 3.46Å; F98-R113 WeakPolarHBondContact CD1-O 3.17Å; F98-D114 HydrophobicContact CD1-CB 4.46Å; F98-D114 HydrophobicContact CE1-CB 4.08Å
99P96.8Very high95Very high47 Ų4769.1 Ų69.131%0.30535%0.346SS..EExtended strand (participates in β ladder)trans-68.5141.317928.3-34.2000111.1E97 Y101E97-P99 WeakPolarHBondContact O-CD 3.14Å; P99-Y101 HydrophobicContact CB-CD2 3.95Å; P99-Y101 HydrophobicContact CB-CE2 3.56Å
100C96.4Very high94.9Very high18 Ų1865.4 Ų65.412%0.12233%0.33CS..EExtended strand (participates in β ladder)trans-125.6-56.1179-174.10000111.5L83 K84 R102 L112L83-C100 HydrophobicContact CB-CB 4.28Å; L83-C100 HydrophobicContact CD2-CB 3.98Å; L83-C100 HydrophobicContact CG-CB 3.79Å; K84-C100 PolarHBondContact O-N 3.39Å; C100-R102 VanDerWaalsContact C-N 3.28Å; C100-R102 PolarHBondContact O-N 3.44Å; C100-R102 VanDerWaalsContact SG-CG 3.51Å; C100-L112 HydrophobicContact CB-CD1 4.02Å; C100-L112 HydrophobicContact CB-CD2 3.79Å
101Y96.7Very high94.8Very high119 Ų11968 Ų6847%0.46735%0.346SS..EExtended strand (participates in β ladder)trans42.846.3178.4-54.8-70.7000115.1Y82 L83 K84 Y85 P99Y82-Y101 PolarHBondContact OH-O 2.77Å; L83-Y101 WeakPolarHBondContact O-CA 3.4Å; L83-Y101 PolarHBondContact O-N 3.09Å; K84-Y101 HydrophobicContact CB-CD1 4.11Å; K84-Y101 HydrophobicContact CB-CE1 3.98Å; K84-Y101 WeakPolarHBondContact O-CD1 3.37Å; K84-Y101 PolarHBondContact O-N 3.48Å; Y85-Y101 HydrophobicContact CD1-CE1 4.4Å; P99-Y101 HydrophobicContact CB-CD2 3.95Å; P99-Y101 HydrophobicContact CB-CE2 3.56Å
102R96.8Very high94.9Very high118 Ų11865.6 Ų65.645%0.44533%0.33SS..EExtended strand (participates in β ladder)trans-148.7162.2178.864177.7-176.6157.2-3112.6L83 C100 V110L83-R102 PolarHBondContact N-O 2.78Å; L83-R102 PolarHBondContact O-N 3Å; C100-R102 VanDerWaalsContact C-N 3.28Å; C100-R102 PolarHBondContact O-N 3.44Å; C100-R102 VanDerWaalsContact SG-CG 3.51Å; R102-V110 VanDerWaalsContact NH2-CG2 3.26Å
103W97.3Very high94.8Very high104 Ų10463.7 Ų63.739%0.39432%0.318SS..EExtended strand (participates in β ladder)trans-72.5135.1168.8-67.499.9000110.9Q13 W14 F15 A16 D80 W81 Y82 T105Q13-W103 HydrophobicContact CB-CZ2 4.24Å; W14-W103 WeakPolarHBondContact O-CH2 3.34Å; F15-W103 WeakPolarHBondContact O-CH2 3.29Å; F15-W103 VanDerWaalsContact O-CZ3 3.27Å; F15-W103 WeakPolarHBondContact O-CZ3 3.36Å; A16-W103 HydrophobicContact CB-CH2 4.38Å; D80-W103 HydrophobicContact CB-CE3 3.66Å; D80-W103 HydrophobicContact CB-CZ3 3.89Å; W81-W103 CarbonylContact O-C 3.51Å; W81-W103 WeakPolarHBondContact O-CA 3.1Å; Y82-W103 AromaticContact CD2-CD1 3.78Å; Y82-W103 AromaticContact CD2-CD2 3.78Å; Y82-W103 HydrophobicContact CD2-CD2 3.78Å; Y82-W103 AromaticContact CD2-CE2 3.63Å; Y82-W103 HydrophobicContact CD2-CE3 4.45Å; Y82-W103 AromaticContact CD2-CG 3.9Å; Y82-W103 HydrophobicContact CD2-CG 3.9Å; Y82-W103 HydrophobicContact CD2-CZ2 4.2Å; Y82-W103 AromaticContact CD2-NE1 3.6Å; Y82-W103 HydrophobicContact CG-CD2 4.45Å; W103-T105 HydrophobicContact CB-CG2 4.1Å
104I96.6Very high94.7Very high2 Ų263.3 Ų63.31%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-110.8111.9171.4-56.1-177000106.1I70 K72 W81 L83 V108 V110I70-I104 HydrophobicContact CG2-CD1 4.19Å; K72-I104 HydrophobicContact CB-CG2 3.98Å; K72-I104 HydrophobicContact CD-CG2 4.27Å; K72-I104 WeakPolarHBondContact CE-O 3.48Å; W81-I104 HydrophobicContact CE3-CB 4.45Å; W81-I104 HydrophobicContact CE3-CD1 3.83Å; W81-I104 HydrophobicContact CZ3-CD1 3.99Å; W81-I104 PolarHBondContact N-O 2.58Å; W81-I104 PolarHBondContact O-N 3.13Å; L83-I104 HydrophobicContact CB-CD1 3.9Å; L83-I104 HydrophobicContact CD2-CD1 3.9Å; I104-V108 HydrophobicContact CG2-CG2 3.78Å; I104-V110 HydrophobicContact CD1-CB 4.39Å; I104-V110 HydrophobicContact CD1-CG2 4.07Å; I104-V110 HydrophobicContact CG1-CG2 4.12Å; I104-V110 HydrophobicContact CG2-CG2 4.18Å
105T94.1Very high93.8Very high69 Ų6961.4 Ų61.442%0.42331%0.308SS..EExtended strand (participates in β ladder)trans-121.8134.3-169.864.30000110.3D80 W103D80-T105 HydrophobicContact CB-CG2 4.07Å; D80-T105 VanDerWaalsContact CG-CG2 3.49Å; D80-T105 VanDerWaalsContact OD1-CB 3.29Å; D80-T105 WeakPolarHBondContact OD1-CB 3.48Å; D80-T105 WeakPolarHBondContact OD1-CG2 3.28Å; W103-T105 HydrophobicContact CB-CG2 4.1Å
106G90.4Very high92.8Very high23 Ų2360.5 Ų60.524%0.23730%0.303CS..SBendtrans67.3-166.4-17800000114.5K72 V108K72-G106 WeakPolarHBondContact CE-O 3.48Å; G106-V108 PolarHBondContact O-N 3.12Å; G106-V108 VanDerWaalsContact O-N 3.15Å
107D91.8Very high90.7Very high108 Ų10867.5 Ų67.558%0.57834%0.336SS*.SBendtrans-86.182.3-176.7-60.7-31.5000110.5K72 R73 K74K72-D107 WeakPolarHBondContact O-CA 3.21Å; R73-D107 WeakPolarHBondContact CA-OD1 3.17Å; K74-D107 WeakPolarHBondContact CB-OD1 2.84Å; K74-D107 PolarHBondContact N-OD1 3.36Å
108V90.9Very high88.6Confident61 Ų6167.7 Ų67.737%0.3734%0.338SS..  trans-129.5147.8-174.2-62.30000112.5K72 I104 G106 V110K72-V108 PolarHBondContact N-O 3.37Å; I104-V108 HydrophobicContact CG2-CG2 3.78Å; G106-V108 PolarHBondContact O-N 3.12Å; G106-V108 VanDerWaalsContact O-N 3.15Å; V108-V110 HydrophobicContact CG2-CG2 4.49Å
109E94.3Very high86Confident93 Ų9374.6 Ų74.644%0.43537%0.374SS..EExtended strand (participates in β ladder)trans-92.2134.1166.4-171.3179.994.300110R69 I70R69-E109 HydrophobicContact CB-CG 4.48Å; I70-E109 CarbonylContact O-C 3.55Å; I70-E109 WeakPolarHBondContact O-CA 3.31Å
110V94.8Very high83.6Confident6 Ų676 Ų764%0.03640%0.398CS..EExtended strand (participates in β ladder)trans-119.2125.1176.1163.20000108.3R69 I70 R102 I104 V108 L112R69-V110 CarbonylContact C-O 3.18Å; R69-V110 WeakPolarHBondContact CA-O 3.39Å; I70-V110 PolarHBondContact N-O 2.95Å; I70-V110 PolarHBondContact O-N 3.1Å; R102-V110 VanDerWaalsContact NH2-CG2 3.26Å; I104-V110 HydrophobicContact CD1-CB 4.39Å; I104-V110 HydrophobicContact CD1-CG2 4.07Å; I104-V110 HydrophobicContact CG1-CG2 4.12Å; I104-V110 HydrophobicContact CG2-CG2 4.18Å; V108-V110 HydrophobicContact CG2-CG2 4.49Å; V110-L112 HydrophobicContact CG1-CD2 3.54Å; V110-L112 HydrophobicContact CG1-CG 4.05Å
111V96.1Very high81.2Confident67 Ų6779.8 Ų79.841%0.40642%0.42SS..EExtended strand (participates in β ladder)trans-103125.7173.8-171.90000109.3L67 R69L67-V111 HydrophobicContact CB-CG1 3.94Å; L67-V111 HydrophobicContact CD1-CG1 3.99Å; L67-V111 HydrophobicContact CD2-CG1 4.09Å; L67-V111 HydrophobicContact CG-CG1 4.24Å; R69-V111 HydrophobicContact CG-CG2 4.22Å
112L95.1Very high78.6Confident8 Ų881.8 Ų81.84%0.04243%0.434CS..EExtended strand (participates in β ladder)trans-109.3139.4177.9-53.2179.6000110L67 V68 L83 I86 F98 C100 V110L67-L112 VanDerWaalsContact CA-O 3.24Å; L67-L112 WeakPolarHBondContact CA-O 3.39Å; V68-L112 PolarHBondContact N-O 2.84Å; V68-L112 PolarHBondContact O-N 2.9Å; L83-L112 HydrophobicContact CD2-CD1 4.16Å; I86-L112 HydrophobicContact CD1-CD1 4.11Å; I86-L112 HydrophobicContact CG1-CD1 4.4Å; F98-L112 HydrophobicContact CB-CB 3.93Å; F98-L112 HydrophobicContact CB-CD1 4.15Å; F98-L112 HydrophobicContact CD1-CB 4.32Å; C100-L112 HydrophobicContact CB-CD1 4.02Å; C100-L112 HydrophobicContact CB-CD2 3.79Å; V110-L112 HydrophobicContact CG1-CD2 3.54Å; V110-L112 HydrophobicContact CG1-CG 4.05Å
113R92.9Very high76.4Confident91 Ų9179.3 Ų79.334%0.34343%0.433SS..EExtended strand (participates in β ladder)trans-102158.1170.9-75.3177.8-178.2-179.83.7109.5L67 F98 P123L67-R113 HydrophobicContact CD2-CB 4.43Å; L67-R113 HydrophobicContact CD2-CG 3.37Å; F98-R113 VanDerWaalsContact CD1-C 3.46Å; F98-R113 WeakPolarHBondContact CD1-O 3.17Å; R113-P123 PolarHBondContact NH1-O 3.33Å; R113-P123 PolarHBondContact NH2-O 2.99Å
114D88.4Confident74Confident33 Ų3385.1 Ų85.118%0.17646%0.455CS..  trans-63.9146.1175.969.6-34.4000111I96 E97 F98 R116I96-D114 HydrophobicContact CG2-CB 3.84Å; E97-D114 WeakPolarHBondContact O-CA 3.21Å; F98-D114 HydrophobicContact CD1-CB 4.46Å; F98-D114 HydrophobicContact CE1-CB 4.08Å; D114-R116 PolarHBondContact O-N 3.18Å; D114-R116 IonicContact OD2-CZ 3.2Å; D114-R116 IonicContact OD2-NE 4Å; D114-R116 PolarHBondContact OD2-NE 2.74Å; D114-R116 IonicContact OD2-NH2 3.94Å; D114-R116 PolarHBondContact OD2-NH2 3.37Å
115G74.8Confident71.6Confident50 Ų5091.2 Ų91.252%0.51549%0.487SS..SBendtrans-770.2-176.900000114.6E97 E117E97-G115 PolarHBondContact O-N 2.88Å; G115-E117 PolarHBondContact O-N 2.68Å
116R75.2Confident69.4Low146 Ų14691.1 Ų91.155%0.55149%0.487SS*.SBendtrans-67.4117.8174.9-65.2-178.9-65.7177.64.4107.1E64 D114 M118E64-R116 IonicContact OE1-NH1 3.15Å; E64-R116 IonicContact OE1-NH2 2.71Å; E64-R116 PolarHBondContact OE1-NH2 3.35Å; D114-R116 PolarHBondContact O-N 3.18Å; D114-R116 IonicContact OD2-CZ 3.2Å; D114-R116 IonicContact OD2-NE 4Å; D114-R116 PolarHBondContact OD2-NE 2.74Å; D114-R116 IonicContact OD2-NH2 3.94Å; D114-R116 PolarHBondContact OD2-NH2 3.37Å; R116-M118 PolarHBondContact O-N 2.78Å; R116-M118 VanDerWaalsContact O-N 3.14Å
117E51.4Low67.7Low165 Ų16591.9 Ų91.977%0.77149%0.486SS*.  trans-47.1120.1-179.4-159.8165-168.600109.6G115 D119G115-E117 PolarHBondContact O-N 2.68Å; E117-D119 PolarHBondContact O-N 3.12Å
118M51.8Low65.8Low94 Ų9493.1 Ų93.146%0.46349%0.488SS..  trans-68.975.5167.6-81.4-174.5168.900107.7R116 G120R116-M118 PolarHBondContact O-N 2.78Å; R116-M118 VanDerWaalsContact O-N 3.14Å; M118-G120 PolarHBondContact O-N 3.32Å
119D44.2Very low63.9Low144 Ų14495.1 Ų95.177%0.7749%0.494SS*.SBendtrans-64.383.6163.8-87.4-24.1000108E117E117-D119 PolarHBondContact O-N 3.12Å
120G45.2Very low62.1Low78 Ų7897 Ų9780%0.80450%0.496SS*.SBendtrans100.819.5162.600000118.6M118M118-G120 PolarHBondContact O-N 3.32Å
121V45.7Very low60.1Low97 Ų9799 Ų9959%0.58851%0.511SS*.  trans-115.1126.2171.8-172.10000110.6
122E43.9Very low57.9Low160 Ų160102.5 Ų102.575%0.74852%0.523SS*.  trans-57.3125.1-176.2-73.1-159.9130.700112.1W124E122-W124 PolarHBondContact O-N 2.83Å
123P49.1Very low55.3Low67 Ų67108.9 Ų108.944%0.43555%0.554SS.*THydrogen-bonded Turntrans-65.3-10-172.2-24.333.4000116.5R113R113-P123 PolarHBondContact NH1-O 3.33Å; R113-P123 PolarHBondContact NH2-O 2.99Å
124W47.3Very low52.7Low225 Ų225110.1 Ų110.185%0.85257%0.574SS**THydrogen-bonded Turntrans-103.85.3-157.1-58.3111.1000116.3E122 P126E122-W124 PolarHBondContact O-N 2.83Å; W124-P126 WeakPolarHBondContact O-CD 3.41Å
125L46.1Very low50.6Low130 Ų130117.2 Ų117.268%0.68161%0.606SS**SBendtrans-72.9124170-74.4171000109.8L127L125-L127 PolarHBondContact O-N 3.33Å
126P48.3Very low49.1Very low67 Ų67118 Ų11844%0.43561%0.613SS.*  trans-7397178.9-4.819.7000109.5W124 E128W124-P126 WeakPolarHBondContact O-CD 3.41Å; P126-E128 HydrophobicContact CB-CG 3.74Å; P126-E128 PolarHBondContact O-N 3.46Å
127L54.6Low47.5Very low39 Ų39121 Ų12120%0.20463%0.631CS.*G310 helixtrans-68.6-7.5169.3-68171.8000112.4L67 L125 H129 R130L67-L127 HydrophobicContact CD1-CB 3.94Å; L67-L127 HydrophobicContact CD1-CD1 4.4Å; L67-L127 HydrophobicContact CD2-CD1 4.33Å; L125-L127 PolarHBondContact O-N 3.33Å; L127-H129 PolarHBondContact O-N 2.79Å; L127-R130 PolarHBondContact O-N 2.89Å
128E52.6Low46.8Very low134 Ų134119.3 Ų119.363%0.62663%0.632SS**G310 helixtrans-58.9-29-177.5-15.5-175.4-160.700112.6P126P126-E128 HydrophobicContact CB-CG 3.74Å; P126-E128 PolarHBondContact O-N 3.46Å
129H50Low46.5Very low104 Ų104124.5 Ų124.548%0.48167%0.672SS.*G310 helixtrans-85.5-4.5-175.1-62-60.8000115.2L127 C131 Q132L127-H129 PolarHBondContact O-N 2.79Å; H129-C131 VanDerWaalsContact C-N 3.31Å; H129-C131 PolarHBondContact O-N 3.06Å; H129-Q132 PolarHBondContact ND1-OE1 3.43Å; H129-Q132 VanDerWaalsContact ND1-OE1 3.14Å; H129-Q132 PolarHBondContact O-N 3.12Å
130R56.1Low46.6Very low131 Ų131123.5 Ų123.549%0.49467%0.668SS.*G310 helixtrans-68.6-28.8-178.3-71.5-177.1177-121.30.2113.4L127 Q132L127-R130 PolarHBondContact O-N 2.89Å; R130-Q132 VanDerWaalsContact C-N 3.34Å
131C53.1Low46.7Very low50 Ų50125.9 Ų125.934%0.33866%0.66SS.*G310 helixtrans-87.42.9177.1-47.90000113.7C32 R69 H129C32-C131 HydrophobicContact CB-CB 4.15Å; C32-C131 WeakPolarHBondContact CB-SG 3.14Å; C32-C131 WeakPolarHBondContact SG-CB 3.19Å; C32-C131 CovalentContact SG-SG 2.07Å; C32-C131 PolarHBondContact SG-SG 3.13Å; R69-C131 PolarHBondContact NH2-SG 3.19Å; R69-C131 VanDerWaalsContact NH2-SG 3.39Å; H129-C131 VanDerWaalsContact C-N 3.31Å; H129-C131 PolarHBondContact O-N 3.06Å
132Q50.2Low46.7Very low140 Ų140127.5 Ų127.565%0.65466%0.664SS**G310 helixtrans-105.6-0.1-178.9-80.7165.4-21.200114H129 R130 P134H129-Q132 PolarHBondContact ND1-OE1 3.43Å; H129-Q132 VanDerWaalsContact ND1-OE1 3.14Å; H129-Q132 PolarHBondContact O-N 3.12Å; R130-Q132 VanDerWaalsContact C-N 3.34Å; Q132-P134 WeakPolarHBondContact O-CD 3.16Å
133M41.3Very low46.9Very low142 Ų142125.6 Ų125.670%0.766%0.66SS**  trans-87117.6178-65.2-161.9-115.700110.1Q135M133-Q135 PolarHBondContact O-N 2.67Å
134P36.8Very low46.8Very low117 Ų117129.3 Ų129.376%0.7667%0.674SS**  trans-60.5134.2167.624.2-29.9000108.6Q132 G136Q132-P134 WeakPolarHBondContact O-CD 3.16Å; P134-G136 PolarHBondContact O-N 3.3Å
135Q45.3Very low46.7Very low182 Ų182122.9 Ų122.985%0.8566%0.662SS**SBendtrans-58.3111.8176-64.4-166.42.500108.8M133M133-Q135 PolarHBondContact O-N 2.67Å
136G43.7Very low46.8Very low65 Ų65122.4 Ų122.467%0.6766%0.66SS**  trans161.22.5178.500000118.9P134P134-G136 PolarHBondContact O-N 3.3Å
137F42Very low46.7Very low210 Ų210126.6 Ų126.692%0.92168%0.678SS**  trans-133.199.4173.6-88.9-90.2000111.5
138T35.5Very low46Very low129 Ų129133.9 Ų133.979%0.79172%0.717SS**  trans-89.7142.1153.144.70000108.7
139P45.8Very low45.4Very low203 Ų203133.9 Ų133.9100%1.31873%0.725SS**  trans-64.70174.328.2-33.7000113

Retrieved 139 of 139 residues in 151.7 ms (Link to these results)

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