A0A068LKS6_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LKS6, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 111 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
1A83Confident88.9Confident109 Ų10960.4 Ų60.490%0.90143%0.427SS*.  0147000000109.2K54 N55A1-K54 WeakPolarHBondContact CB-O 3.31Å; A1-N55 CarbonylContact C-O 3.52Å; A1-N55 WeakPolarHBondContact CA-O 3.31Å; A1-N55 HydrophobicContact CB-CB 4.47Å
2A88.9Confident89.2Confident13 Ų1355.3 Ų55.311%0.10739%0.392CS..  trans-70.4148.3173.300000110.7F5 F7 N55A2-F5 HydrophobicContact CB-CE1 4.15Å; A2-F5 HydrophobicContact CB-CZ 3.91Å; A2-F7 HydrophobicContact CB-CD2 3.61Å; A2-F7 HydrophobicContact CB-CE2 4.2Å; A2-N55 PolarHBondContact N-O 2.91Å
3S88.4Confident89.6Confident102 Ų10251.3 Ų51.371%0.71336%0.363SS*.  trans-148.3163.9177.760.50000109.6F5S3-F5 WeakPolarHBondContact O-CD1 3.5Å
4G88.4Confident90.1Very high85 Ų8550.2 Ų50.288%0.87635%0.347SS*.SBendtrans86.93.1-177.700000115.1
5F87Confident90.5Very high34 Ų3447.3 Ų47.315%0.14933%0.326CS..SBendtrans-163.2165.117362.3-81.4000112.5A2 S3 F7 Y10 M12 W101A2-F5 HydrophobicContact CB-CE1 4.15Å; A2-F5 HydrophobicContact CB-CZ 3.91Å; S3-F5 WeakPolarHBondContact O-CD1 3.5Å; F5-F7 HydrophobicContact CE2-CB 4.41Å; F5-F7 HydrophobicContact CE2-CD2 4.4Å; F5-F7 PolarHBondContact O-N 3.3Å; F5-Y10 HydrophobicContact CB-CE2 4.32Å; F5-Y10 AromaticContact CD2-CD2 3.64Å; F5-Y10 HydrophobicContact CD2-CD2 3.64Å; F5-Y10 AromaticContact CD2-CE2 3.92Å; F5-Y10 HydrophobicContact CD2-CE2 3.92Å; F5-Y10 HydrophobicContact CD2-CG 4.5Å; F5-Y10 HydrophobicContact CE2-CD2 4.18Å; F5-M12 HydrophobicContact CE2-CE 3.62Å; F5-M12 HydrophobicContact CE2-SD 4.38Å; F5-M12 HydrophobicContact CZ-CE 3.63Å; F5-W101 HydrophobicContact CE1-CB 4.33Å; F5-W101 HydrophobicContact CE1-CD2 4.19Å; F5-W101 AromaticContact CE1-CG 4Å; F5-W101 HydrophobicContact CE1-CG 4Å; F5-W101 AromaticContact CZ-CD2 3.95Å; F5-W101 HydrophobicContact CZ-CD2 3.95Å; F5-W101 HydrophobicContact CZ-CE3 4.08Å; F5-W101 HydrophobicContact CZ-CG 4.25Å
6T90.9Very high90.8Very high88 Ų8845.1 Ų45.154%0.5431%0.309SS..  trans-74.390.5174-49.70000110.4S8 S9 Y10T6-S8 PolarHBondContact O-N 3.23Å; T6-S8 VanDerWaalsContact O-N 3.12Å; T6-S9 VanDerWaalsContact CG2-OG 3.26Å; T6-S9 WeakPolarHBondContact CG2-OG 3.01Å; T6-S9 WeakPolarHBondContact O-CB 3.34Å; T6-S9 PolarHBondContact O-N 3.26Å; T6-Y10 VanDerWaalsContact O-CD2 3.27Å; T6-Y10 WeakPolarHBondContact O-CD2 3.41Å
7F91.7Very high91.2Very high1 Ų146.9 Ų46.90%0.00431%0.311CS..G310 helixtrans-49.1-39.7-176179.4-93.5000113.9A2 F5 S9 Y10 M12 R50 N52 N55 S56 L57A2-F7 HydrophobicContact CB-CD2 3.61Å; A2-F7 HydrophobicContact CB-CE2 4.2Å; F5-F7 HydrophobicContact CE2-CB 4.41Å; F5-F7 HydrophobicContact CE2-CD2 4.4Å; F5-F7 PolarHBondContact O-N 3.3Å; F7-S9 PolarHBondContact O-N 2.79Å; F7-Y10 PolarHBondContact O-N 2.93Å; F7-M12 HydrophobicContact CD2-CE 3.32Å; F7-M12 HydrophobicContact CE2-CE 3.25Å; F7-M12 HydrophobicContact CE2-CG 4.16Å; F7-M12 HydrophobicContact CE2-SD 4.48Å; F7-M12 HydrophobicContact CG-CE 4.31Å; F7-M12 HydrophobicContact CZ-CE 4.21Å; F7-M12 HydrophobicContact CZ-CG 4.23Å; F7-R50 HydrophobicContact CE1-CB 4.27Å; F7-R50 HydrophobicContact CZ-CB 4.25Å; F7-R50 PolarHBondContact O-NH2 2.99Å; F7-N52 WeakPolarHBondContact CD1-OD1 3.34Å; F7-N52 WeakPolarHBondContact CE1-OD1 3.37Å; F7-N55 HydrophobicContact CB-CB 3.95Å; F7-N55 WeakPolarHBondContact CB-OD1 3.19Å; F7-N55 HydrophobicContact CD1-CB 4.49Å; F7-N55 HydrophobicContact CD2-CB 4.43Å; F7-N55 HydrophobicContact CG-CB 4.07Å; F7-S56 VanDerWaalsContact CZ-C 3.49Å; F7-S56 WeakPolarHBondContact CZ-O 3.32Å; F7-L57 HydrophobicContact CE2-CB 4.28Å; F7-L57 HydrophobicContact CZ-CB 4.21Å
8S91.8Very high91.5Very high54 Ų5445.2 Ų45.238%0.37830%0.301SS..G310 helixtrans-68.6-16.4-179.554.50000114.4T6 S31T6-S8 PolarHBondContact O-N 3.23Å; T6-S8 VanDerWaalsContact O-N 3.12Å; S8-S31 WeakPolarHBondContact O-CB 3.19Å
9S89.1Confident91.7Very high78 Ų7848.5 Ų48.555%0.54532%0.322SS..G310 helixtrans-85.4-9.4-178.7-57.90000114T6 F7T6-S9 VanDerWaalsContact CG2-OG 3.26Å; T6-S9 WeakPolarHBondContact CG2-OG 3.01Å; T6-S9 WeakPolarHBondContact O-CB 3.34Å; T6-S9 PolarHBondContact O-N 3.26Å; F7-S9 PolarHBondContact O-N 2.79Å
10Y88Confident91.9Very high70 Ų7050.7 Ų50.728%0.27535%0.354SS..SBendtrans-118.8147.3-172.3-63-89.6000112.2F5 T6 F7 R50 E77F5-Y10 HydrophobicContact CB-CE2 4.32Å; F5-Y10 AromaticContact CD2-CD2 3.64Å; F5-Y10 HydrophobicContact CD2-CD2 3.64Å; F5-Y10 AromaticContact CD2-CE2 3.92Å; F5-Y10 HydrophobicContact CD2-CE2 3.92Å; F5-Y10 HydrophobicContact CD2-CG 4.5Å; F5-Y10 HydrophobicContact CE2-CD2 4.18Å; T6-Y10 VanDerWaalsContact O-CD2 3.27Å; T6-Y10 WeakPolarHBondContact O-CD2 3.41Å; F7-Y10 PolarHBondContact O-N 2.93Å; Y10-R50 PolarHBondContact O-NH1 2.82Å; Y10-E77 WeakPolarHBondContact CD1-O 3.41Å
11S90.8Very high92Very high30 Ų3055.3 Ų55.321%0.2137%0.368CS..EExtended strand (participates in β ladder)trans-71.2143.3158.2-57.60000109I29 E77S11-I29 WeakPolarHBondContact CA-O 3.44Å; S11-E77 VanDerWaalsContact CB-OE2 3.26Å; S11-E77 WeakPolarHBondContact CB-OE2 3.5Å; S11-E77 PolarHBondContact O-N 2.97Å; S11-E77 PolarHBondContact OG-OE2 2.82Å
12M92.9Very high92.4Very high0 Ų052.7 Ų52.70%035%0.352CS..EExtended strand (participates in β ladder)trans-123.6137.4-170.2-56.1-53.2-97.600109.7F5 F7 S28 I29 L57 R76 W101F5-M12 HydrophobicContact CE2-CE 3.62Å; F5-M12 HydrophobicContact CE2-SD 4.38Å; F5-M12 HydrophobicContact CZ-CE 3.63Å; F7-M12 HydrophobicContact CD2-CE 3.32Å; F7-M12 HydrophobicContact CE2-CE 3.25Å; F7-M12 HydrophobicContact CE2-CG 4.16Å; F7-M12 HydrophobicContact CE2-SD 4.48Å; F7-M12 HydrophobicContact CG-CE 4.31Å; F7-M12 HydrophobicContact CZ-CE 4.21Å; F7-M12 HydrophobicContact CZ-CG 4.23Å; M12-S28 CarbonylContact O-C 3.59Å; M12-S28 WeakPolarHBondContact O-CA 3.21Å; M12-I29 HydrophobicContact CB-CG2 4.08Å; M12-I29 PolarHBondContact N-O 2.8Å; M12-I29 PolarHBondContact O-N 3.21Å; M12-L57 HydrophobicContact CB-CD1 3.66Å; M12-L57 HydrophobicContact CB-CD2 3.92Å; M12-L57 HydrophobicContact CB-CG 4.36Å; M12-L57 HydrophobicContact CG-CD1 4.48Å; M12-R76 HydrophobicContact CE-CB 4.5Å; M12-R76 HydrophobicContact SD-CB 3.95Å; M12-W101 HydrophobicContact CB-CH2 4.2Å; M12-W101 HydrophobicContact CE-CD2 4.46Å; M12-W101 HydrophobicContact CE-CE3 4.03Å; M12-W101 HydrophobicContact CE-CH2 2.95Å; M12-W101 HydrophobicContact CE-CZ2 3.4Å; M12-W101 HydrophobicContact CE-CZ3 3.2Å; M12-W101 HydrophobicContact CG-CH2 4.41Å; M12-W101 HydrophobicContact SD-CH2 3.78Å; M12-W101 HydrophobicContact SD-CZ3 3.69Å
13N94.4Very high92.6Very high3 Ų357.3 Ų57.32%0.01637%0.374CS..EExtended strand (participates in β ladder)trans-126.2151.7-173.2-55.3-90.1000110.7W25 S27 S28 C74 A75 M98N13-W25 PolarHBondContact OD1-NE1 3.21Å; N13-W25 VanDerWaalsContact OD1-NE1 3.17Å; N13-S27 CarbonylContact C-O 3.56Å; N13-S27 WeakPolarHBondContact CA-O 3.48Å; N13-S28 WeakPolarHBondContact OD1-CB 3.33Å; N13-S28 PolarHBondContact OD1-OG 2.95Å; N13-C74 WeakPolarHBondContact O-CA 3.25Å; N13-A75 WeakPolarHBondContact CA-O 3.43Å; N13-A75 HydrophobicContact CB-CB 4.45Å; N13-A75 VanDerWaalsContact CB-O 3.31Å; N13-A75 WeakPolarHBondContact CB-O 3.36Å; N13-A75 PolarHBondContact N-O 3.12Å; N13-A75 PolarHBondContact ND2-O 2.82Å; N13-A75 PolarHBondContact O-N 2.95Å; N13-M98 HydrophobicContact CB-CE 4.39Å; N13-M98 HydrophobicContact CB-SD 4.48Å
14W96.1Very high92.9Very high36 Ų3655.6 Ų55.614%0.13635%0.354CS..EExtended strand (participates in β ladder)trans-103.9135.5158.2-75.197.1000109.2V26 S27 L57 Y58 L59 Y73 C74W14-V26 HydrophobicContact CB-CB 3.96Å; W14-V26 HydrophobicContact CB-CG1 4.29Å; W14-V26 WeakPolarHBondContact O-CB 3.39Å; W14-V26 PolarHBondContact O-N 3.11Å; W14-S27 PolarHBondContact N-O 3.28Å; W14-S27 PolarHBondContact O-N 2.74Å; W14-L57 HydrophobicContact CD2-CD2 4.43Å; W14-L57 HydrophobicContact CG-CD2 4.42Å; W14-L57 HydrophobicContact CZ2-CD2 4.35Å; W14-L57 HydrophobicContact CZ2-CG 4.47Å; W14-L57 VanDerWaalsContact NE1-CD2 3.32Å; W14-Y58 PolarHBondContact NE1-O 2.98Å; W14-L59 HydrophobicContact CB-CD2 4.22Å; W14-L59 HydrophobicContact CD2-CB 4.05Å; W14-L59 HydrophobicContact CD2-CD2 4.14Å; W14-L59 HydrophobicContact CG-CB 4.16Å; W14-L59 HydrophobicContact CG-CD1 4.31Å; W14-L59 HydrophobicContact CG-CD2 3.97Å; W14-L59 HydrophobicContact CG-CG 4.39Å; W14-L59 HydrophobicContact CZ2-CB 4.14Å; W14-Y73 WeakPolarHBondContact CA-O 3.46Å; W14-Y73 VanDerWaalsContact CE3-O 3.32Å; W14-C74 HydrophobicContact CE3-CB 4.42Å; W14-C74 HydrophobicContact CH2-CB 4.39Å; W14-C74 HydrophobicContact CZ3-CB 4.29Å
15V95.6Very high93.1Very high7 Ų755.5 Ų55.54%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-127.7151.1170.2-59.60000107.9L23 E24 Y72 Y73 A75 M98 V100V15-L23 HydrophobicContact CG2-CD2 4.23Å; V15-E24 CarbonylContact C-O 3.56Å; V15-E24 VanDerWaalsContact CA-O 3.25Å; V15-E24 WeakPolarHBondContact CA-O 3.45Å; V15-Y72 CarbonylContact O-C 3.47Å; V15-Y72 WeakPolarHBondContact O-CA 3.33Å; V15-Y73 HydrophobicContact CG2-CD2 4.34Å; V15-Y73 PolarHBondContact N-O 3.02Å; V15-Y73 PolarHBondContact O-N 3.04Å; V15-Y73 VanDerWaalsContact O-O 3.13Å; V15-A75 HydrophobicContact CG1-CB 4.45Å; V15-A75 HydrophobicContact CG2-CB 4.4Å; V15-M98 HydrophobicContact CG1-SD 3.86Å; V15-V100 HydrophobicContact CG2-CG2 4.45Å
16R96.6Very high93.6Very high12 Ų1253.9 Ų53.95%0.04532%0.321CS..EExtended strand (participates in β ladder)trans-131.4154.2177.672.7-179.3179.1-174.1-1.9111.6L23 E24 V26 S41 D68 A70 V71 Y72R16-L23 WeakPolarHBondContact O-CA 3.38Å; R16-E24 HydrophobicContact CG-CB 4.11Å; R16-E24 IonicContact CZ-OE1 3.37Å; R16-E24 IonicContact CZ-OE2 3.06Å; R16-E24 PolarHBondContact N-O 2.81Å; R16-E24 IonicContact NE-OE1 3.86Å; R16-E24 IonicContact NE-OE2 3.76Å; R16-E24 PolarHBondContact NE-OE2 3.08Å; R16-E24 IonicContact NH2-OE1 2.81Å; R16-E24 PolarHBondContact NH2-OE1 3.18Å; R16-E24 IonicContact NH2-OE2 2.8Å; R16-E24 PolarHBondContact NH2-OE2 3.14Å; R16-E24 PolarHBondContact O-N 3.48Å; R16-V26 HydrophobicContact CB-CG2 3.81Å; R16-V26 HydrophobicContact CG-CG2 3.58Å; R16-S41 PolarHBondContact NH2-OG 3.25Å; R16-D68 IonicContact CZ-OD1 3.04Å; R16-D68 IonicContact NH1-OD1 3.83Å; R16-D68 PolarHBondContact NH1-OD1 3.14Å; R16-A70 HydrophobicContact CB-CB 3.9Å; R16-A70 HydrophobicContact CG-CB 4.21Å; R16-V71 CarbonylContact C-O 3.54Å; R16-V71 WeakPolarHBondContact CA-O 3.5Å; R16-Y72 HydrophobicContact CB-CD1 3.75Å; R16-Y72 HydrophobicContact CB-CD2 4.36Å; R16-Y72 HydrophobicContact CB-CE1 3.73Å; R16-Y72 HydrophobicContact CB-CE2 4.32Å; R16-Y72 HydrophobicContact CB-CG 4.07Å; R16-Y72 WeakPolarHBondContact CD-OH 3.47Å; R16-Y72 HydrophobicContact CG-CE1 4.29Å; R16-Y72 PolarHBondContact NH1-OH 2.82Å; R16-Y72 VanDerWaalsContact NH1-OH 3.11Å
17Q96.4Very high93.9Very high76 Ų7649.7 Ų49.736%0.35530%0.295SS..EExtended strand (participates in β ladder)trans-128109.8174.1-167.8176.423.800109.3K21 L23 A70 V71 Y73Q17-K21 VanDerWaalsContact CG-O 3.31Å; Q17-K21 WeakPolarHBondContact CG-O 3.35Å; Q17-K21 PolarHBondContact NE2-O 3.35Å; Q17-L23 HydrophobicContact CB-CD2 4.04Å; Q17-A70 WeakPolarHBondContact O-CA 3.29Å; Q17-A70 WeakPolarHBondContact O-CB 3.34Å; Q17-V71 PolarHBondContact N-O 2.64Å; Q17-V71 PolarHBondContact O-N 2.98Å; Q17-Y73 HydrophobicContact CB-CE2 3.97Å
18A96.8Very high94Very high16 Ų1650.1 Ų50.113%0.13230%0.298CS..  trans-76155.1172.500000110.2G20 K21 A70A18-G20 PolarHBondContact O-N 2.8Å; A18-K21 HydrophobicContact CB-CB 4.13Å; A18-K21 HydrophobicContact CB-CD 3.97Å; A18-K21 HydrophobicContact CB-CG 4.17Å; A18-K21 PolarHBondContact O-N 2.76Å; A18-A70 HydrophobicContact CB-CB 4.41Å
19P95.1Very high94.2Very high107 Ų10747.7 Ų47.770%0.69528%0.281SS*.THydrogen-bonded Turntrans-52.9126.6175.4-25.534.6000111.8K21P19-K21 PolarHBondContact O-N 2.9Å
20G95.4Very high94.4Very high93 Ų9344.6 Ų44.696%0.95926%0.259SS*.THydrogen-bonded Turntrans72.27.6-179.400000115.6A18A18-G20 PolarHBondContact O-N 2.8Å
21K94.5Very high94.5Very high147 Ų14743.5 Ų43.564%0.63926%0.262SS*.  trans-113.7162.3177.6-62.4-167-177.2176.70112.4Q17 A18 P19Q17-K21 VanDerWaalsContact CG-O 3.31Å; Q17-K21 WeakPolarHBondContact CG-O 3.35Å; Q17-K21 PolarHBondContact NE2-O 3.35Å; A18-K21 HydrophobicContact CB-CB 4.13Å; A18-K21 HydrophobicContact CB-CD 3.97Å; A18-K21 HydrophobicContact CB-CG 4.17Å; A18-K21 PolarHBondContact O-N 2.76Å; P19-K21 PolarHBondContact O-N 2.9Å
22G92.1Very high94.6Very high55 Ų5545.7 Ų45.757%0.56728%0.277SS*.  trans-71179168.700000112.6
23L92.4Very high94.7Very high109 Ų10948.1 Ų48.157%0.57129%0.294SS*.EExtended strand (participates in β ladder)trans-68.7131.6171.4-71.3167000110.2V15 R16 Q17 Y73V15-L23 HydrophobicContact CG2-CD2 4.23Å; R16-L23 WeakPolarHBondContact O-CA 3.38Å; Q17-L23 HydrophobicContact CB-CD2 4.04Å; L23-Y73 HydrophobicContact CD2-CD2 4.13Å; L23-Y73 HydrophobicContact CD2-CE2 4.18Å
24E94Very high94.7Very high66 Ų6651.7 Ų51.731%0.30832%0.319SS..EExtended strand (participates in β ladder)trans-113.8130.6174.3-176.4-169.2169.500108.5V15 R16 S41V15-E24 CarbonylContact C-O 3.56Å; V15-E24 VanDerWaalsContact CA-O 3.25Å; V15-E24 WeakPolarHBondContact CA-O 3.45Å; R16-E24 HydrophobicContact CG-CB 4.11Å; R16-E24 IonicContact CZ-OE1 3.37Å; R16-E24 IonicContact CZ-OE2 3.06Å; R16-E24 PolarHBondContact N-O 2.81Å; R16-E24 IonicContact NE-OE1 3.86Å; R16-E24 IonicContact NE-OE2 3.76Å; R16-E24 PolarHBondContact NE-OE2 3.08Å; R16-E24 IonicContact NH2-OE1 2.81Å; R16-E24 PolarHBondContact NH2-OE1 3.18Å; R16-E24 IonicContact NH2-OE2 2.8Å; R16-E24 PolarHBondContact NH2-OE2 3.14Å; R16-E24 PolarHBondContact O-N 3.48Å; E24-S41 WeakPolarHBondContact OE1-CB 3.49Å; E24-S41 PolarHBondContact OE1-OG 2.91Å
25W94.2Very high94.5Very high84 Ų8456.9 Ų56.932%0.31834%0.34SS..EExtended strand (participates in β ladder)trans-75.7133.1173.417785000110.9N13 S27 Y38 M98N13-W25 PolarHBondContact OD1-NE1 3.21Å; N13-W25 VanDerWaalsContact OD1-NE1 3.17Å; W25-S27 VanDerWaalsContact CZ2-C 3.43Å; W25-S27 PolarHBondContact NE1-O 2.86Å; W25-Y38 VanDerWaalsContact CZ3-C 3.41Å; W25-M98 HydrophobicContact CG-CE 4.34Å
26V96.6Very high94.5Very high0 Ų059.9 Ų59.90%036%0.355CS..EExtended strand (participates in β ladder)trans-105.9-52.2-172.5176.90000111.2W14 R16 G39 V42 F46 L59 Y72W14-V26 HydrophobicContact CB-CB 3.96Å; W14-V26 HydrophobicContact CB-CG1 4.29Å; W14-V26 WeakPolarHBondContact O-CB 3.39Å; W14-V26 PolarHBondContact O-N 3.11Å; R16-V26 HydrophobicContact CB-CG2 3.81Å; R16-V26 HydrophobicContact CG-CG2 3.58Å; V26-G39 PolarHBondContact O-N 2.92Å; V26-V42 HydrophobicContact CG1-CG1 4.18Å; V26-V42 HydrophobicContact CG1-CG2 3.91Å; V26-V42 WeakPolarHBondContact O-CG2 3.35Å; V26-F46 HydrophobicContact CG1-CD2 3.91Å; V26-F46 HydrophobicContact CG1-CE2 4.36Å; V26-L59 HydrophobicContact CG1-CD2 4.1Å; V26-Y72 HydrophobicContact CG2-CD1 4.46Å; V26-Y72 HydrophobicContact CG2-CE1 4.19Å
27S96.9Very high94.5Very high0 Ų065.4 Ų65.40%038%0.377CS..EExtended strand (participates in β ladder)trans-164.2161.8-177.755.50000111.9N13 W14 W25 Y37N13-S27 CarbonylContact C-O 3.56Å; N13-S27 WeakPolarHBondContact CA-O 3.48Å; W14-S27 PolarHBondContact N-O 3.28Å; W14-S27 PolarHBondContact O-N 2.74Å; W25-S27 VanDerWaalsContact CZ2-C 3.43Å; W25-S27 PolarHBondContact NE1-O 2.86Å; S27-Y37 CarbonylContact C-O 3.58Å; S27-Y37 WeakPolarHBondContact CA-O 3.24Å; S27-Y37 VanDerWaalsContact CB-O 3.31Å; S27-Y37 WeakPolarHBondContact CB-O 3.18Å
28S95Very high94.5Very high10 Ų1064.7 Ų64.77%0.0737%0.371CS..EExtended strand (participates in β ladder)trans-138.7147176.4-1730000111.5M12 N13 I36 Y37M12-S28 CarbonylContact O-C 3.59Å; M12-S28 WeakPolarHBondContact O-CA 3.21Å; N13-S28 WeakPolarHBondContact OD1-CB 3.33Å; N13-S28 PolarHBondContact OD1-OG 2.95Å; S28-I36 WeakPolarHBondContact O-CA 3.09Å; S28-Y37 PolarHBondContact N-O 3.06Å; S28-Y37 PolarHBondContact O-N 3Å
29I95.2Very high94.4Very high3 Ų364.4 Ų64.42%0.01537%0.369CS..EExtended strand (participates in β ladder)trans-136.4126.4172.5-173.2161.2000109.9S11 M12 I36 I48 R50 L57S11-I29 WeakPolarHBondContact CA-O 3.44Å; M12-I29 HydrophobicContact CB-CG2 4.08Å; M12-I29 PolarHBondContact N-O 2.8Å; M12-I29 PolarHBondContact O-N 3.21Å; I29-I36 HydrophobicContact CB-CG1 4.47Å; I29-I36 HydrophobicContact CD1-CD1 4.08Å; I29-I36 HydrophobicContact CD1-CG1 4.11Å; I29-I36 HydrophobicContact CG1-CG1 3.99Å; I29-I48 HydrophobicContact CB-CD1 3.91Å; I29-I48 HydrophobicContact CB-CG1 4.21Å; I29-I48 HydrophobicContact CB-CG2 4.18Å; I29-I48 HydrophobicContact CG2-CD1 3.53Å; I29-I48 HydrophobicContact CG2-CG1 3.89Å; I29-R50 HydrophobicContact CD1-CB 4.41Å; I29-R50 HydrophobicContact CD1-CG 3.87Å; I29-R50 HydrophobicContact CG1-CG 4.36Å; I29-R50 HydrophobicContact CG2-CB 4.47Å; I29-L57 HydrophobicContact CG2-CD1 3.57Å
30S92.8Very high94.4Very high12 Ų1266.3 Ų66.38%0.08437%0.374CS..  trans-61.4164.3175.152.20000113.3S32 S33 S34 Y35 R50S30-S32 VanDerWaalsContact C-N 3.26Å; S30-S32 PolarHBondContact O-N 3.23Å; S30-S33 PolarHBondContact O-N 2.67Å; S30-S33 VanDerWaalsContact O-N 3.09Å; S30-S33 PolarHBondContact OG-N 2.85Å; S30-S34 PolarHBondContact OG-N 2.82Å; S30-Y35 PolarHBondContact N-O 2.84Å; S30-Y35 PolarHBondContact OG-N 2.94Å; S30-Y35 PolarHBondContact OG-O 3.14Å; S30-Y35 VanDerWaalsContact OG-O 3.06Å; S30-R50 WeakPolarHBondContact O-CD 3.49Å; S30-R50 PolarHBondContact O-NH1 2.88Å
31S91.6Very high94.4Very high47 Ų4764 Ų6433%0.32934%0.343SS..THydrogen-bonded Turntrans-52.9-40.8174.749.40000113.8S8 N52S8-S31 WeakPolarHBondContact O-CB 3.19Å; S31-N52 PolarHBondContact O-ND2 2.95Å
32S91.8Very high94.5Very high77 Ų7757 Ų5754%0.53831%0.313SS..THydrogen-bonded Turntrans-87-4.917953.10000114.3S30 S34S30-S32 VanDerWaalsContact C-N 3.26Å; S30-S32 PolarHBondContact O-N 3.23Å; S32-S34 PolarHBondContact O-N 3.27Å; S32-S34 VanDerWaalsContact O-N 3.14Å; S32-S34 PolarHBondContact OG-N 2.84Å; S32-S34 PolarHBondContact OG-OG 3.01Å
33S94.9Very high94.7Very high51 Ų5161.2 Ų61.236%0.35732%0.315SS..SBendtrans59.911.8-170.2-50.60000115.1S30 R50S30-S33 PolarHBondContact O-N 2.67Å; S30-S33 VanDerWaalsContact O-N 3.09Å; S30-S33 PolarHBondContact OG-N 2.85Å; S33-R50 WeakPolarHBondContact OG-CD 3.18Å; S33-R50 WeakPolarHBondContact OG-CG 3.45Å
34S94.3Very high94.9Very high78 Ų7860 Ų6055%0.54533%0.329SS..SBendtrans-75.9-25.7-179.358.40000113.1S30 S32S30-S34 PolarHBondContact OG-N 2.82Å; S32-S34 PolarHBondContact O-N 3.27Å; S32-S34 VanDerWaalsContact O-N 3.14Å; S32-S34 PolarHBondContact OG-N 2.84Å; S32-S34 PolarHBondContact OG-OG 3.01Å
35Y92Very high95.1Very high144 Ų14458 Ų5857%0.56532%0.319SS*.  trans-119.1129.6175.7-56.2-74.3000110.3S30S30-Y35 PolarHBondContact N-O 2.84Å; S30-Y35 PolarHBondContact OG-N 2.94Å; S30-Y35 PolarHBondContact OG-O 3.14Å; S30-Y35 VanDerWaalsContact OG-O 3.06Å
36I96.1Very high95.3Very high70 Ų7054.2 Ų54.236%0.35931%0.305SS..EExtended strand (participates in β ladder)trans-135.1132.2177.7-60.8176.3000108.4S28 I29 Y38 I48S28-I36 WeakPolarHBondContact O-CA 3.09Å; I29-I36 HydrophobicContact CB-CG1 4.47Å; I29-I36 HydrophobicContact CD1-CD1 4.08Å; I29-I36 HydrophobicContact CD1-CG1 4.11Å; I29-I36 HydrophobicContact CG1-CG1 3.99Å; I36-Y38 HydrophobicContact CG2-CD2 4.29Å; I36-Y38 HydrophobicContact CG2-CE1 4.27Å; I36-Y38 HydrophobicContact CG2-CE2 3.5Å; I36-Y38 VanDerWaalsContact CG2-CE2 3.5Å; I36-Y38 VanDerWaalsContact CG2-CZ 3.48Å; I36-Y38 WeakPolarHBondContact CG2-OH 3.43Å; I36-I48 HydrophobicContact CG2-CG2 3.43Å; I36-I48 VanDerWaalsContact CG2-CG2 3.43Å
37Y95.8Very high95.3Very high128 Ų12857.1 Ų57.150%0.50232%0.323SS..EExtended strand (participates in β ladder)trans-129.1150.2178.8-55.9-82000110.5S27 S28S27-Y37 CarbonylContact C-O 3.58Å; S27-Y37 WeakPolarHBondContact CA-O 3.24Å; S27-Y37 VanDerWaalsContact CB-O 3.31Å; S27-Y37 WeakPolarHBondContact CB-O 3.18Å; S28-Y37 PolarHBondContact N-O 3.06Å; S28-Y37 PolarHBondContact O-N 3Å
38Y97Very high95.4Very high62 Ų6257.3 Ų57.324%0.24332%0.324CS..EExtended strand (participates in β ladder)trans-132.6140.5-179.9-61.8-78.3000110W25 I36 F46 I48W25-Y38 VanDerWaalsContact CZ3-C 3.41Å; I36-Y38 HydrophobicContact CG2-CD2 4.29Å; I36-Y38 HydrophobicContact CG2-CE1 4.27Å; I36-Y38 HydrophobicContact CG2-CE2 3.5Å; I36-Y38 VanDerWaalsContact CG2-CE2 3.5Å; I36-Y38 VanDerWaalsContact CG2-CZ 3.48Å; I36-Y38 WeakPolarHBondContact CG2-OH 3.43Å; Y38-F46 WeakPolarHBondContact CE1-O 3.31Å; Y38-I48 HydrophobicContact CE1-CB 4.42Å; Y38-I48 HydrophobicContact CE1-CG2 3.91Å; Y38-I48 PolarHBondContact OH-N 2.82Å
39G95.2Very high95.6Very high9 Ų959.4 Ų59.49%0.09334%0.339CS..  trans-66.2147.6168.400000110.5V26 S41 V42 K43V26-G39 PolarHBondContact O-N 2.92Å; G39-S41 PolarHBondContact O-N 2.82Å; G39-S41 VanDerWaalsContact O-N 3.14Å; G39-V42 WeakPolarHBondContact O-CG2 3.38Å; G39-V42 PolarHBondContact O-N 3.28Å; G39-K43 PolarHBondContact O-N 2.71Å
40D95.8Very high95.6Very high147 Ų14760.6 Ų60.679%0.78634%0.343SS*.THydrogen-bonded Turntrans-59-30.6-176.5-67.9-32.7000112.6V42D40-V42 PolarHBondContact O-N 3.25Å
41S94Very high95.9Very high46 Ų4662 Ų6232%0.32235%0.349SS..THydrogen-bonded Turntrans-65.2-22.417860.50000114R16 E24 G39 R45R16-S41 PolarHBondContact NH2-OG 3.25Å; E24-S41 WeakPolarHBondContact OE1-CB 3.49Å; E24-S41 PolarHBondContact OE1-OG 2.91Å; G39-S41 PolarHBondContact O-N 2.82Å; G39-S41 VanDerWaalsContact O-N 3.14Å; S41-R45 PolarHBondContact O-NH2 3.15Å
42V96.7Very high96Very high0 Ų062.8 Ų62.80%035%0.35CS..THydrogen-bonded Turntrans-123.9-5.9-173.5-60.20000113.9V26 G39 D40 G44 R45 F46V26-V42 HydrophobicContact CG1-CG1 4.18Å; V26-V42 HydrophobicContact CG1-CG2 3.91Å; V26-V42 WeakPolarHBondContact O-CG2 3.35Å; G39-V42 WeakPolarHBondContact O-CG2 3.38Å; G39-V42 PolarHBondContact O-N 3.28Å; D40-V42 PolarHBondContact O-N 3.25Å; V42-G44 PolarHBondContact O-N 3.29Å; V42-R45 PolarHBondContact O-N 2.81Å; V42-F46 HydrophobicContact CB-CB 4.07Å; V42-F46 HydrophobicContact CB-CD1 4.37Å; V42-F46 HydrophobicContact CB-CD2 3.58Å; V42-F46 HydrophobicContact CB-CE2 4.05Å; V42-F46 HydrophobicContact CB-CG 3.76Å; V42-F46 HydrophobicContact CG1-CD2 3.5Å; V42-F46 VanDerWaalsContact CG1-CD2 3.5Å; V42-F46 HydrophobicContact CG1-CE2 3.44Å; V42-F46 VanDerWaalsContact CG1-CE2 3.44Å; V42-F46 HydrophobicContact CG1-CG 4.12Å; V42-F46 HydrophobicContact CG1-CZ 3.99Å; V42-F46 HydrophobicContact CG2-CB 4.45Å; V42-F46 HydrophobicContact CG2-CD2 4.24Å; V42-F46 PolarHBondContact O-N 3.45Å
43K95.9Very high96.2Very high142 Ų14263.7 Ų63.762%0.61736%0.362SS*.THydrogen-bonded Turntrans-56.4130.2-178.9-167.2172.9-174.7175.30111.1G39 R45G39-K43 PolarHBondContact O-N 2.71Å; K43-R45 PolarHBondContact O-N 2.83Å
44G97.1Very high96.3Very high84 Ų8467.2 Ų67.287%0.86637%0.371SS*.THydrogen-bonded Turntrans78.7-3.3-177.400000115.2V42V42-G44 PolarHBondContact O-N 3.29Å
45R97.9Very high96.4Very high25 Ų2566.4 Ų66.49%0.09436%0.361CS..THydrogen-bonded Turntrans-113.9-41.2178.1-60.2-167.7-57.5120.20.1111.9S41 V42 K43 N62 S63 D68S41-R45 PolarHBondContact O-NH2 3.15Å; V42-R45 PolarHBondContact O-N 2.81Å; K43-R45 PolarHBondContact O-N 2.83Å; R45-N62 WeakPolarHBondContact CB-O 3.35Å; R45-N62 WeakPolarHBondContact O-CA 3.27Å; R45-N62 VanDerWaalsContact O-CB 3.27Å; R45-N62 WeakPolarHBondContact O-CB 3.37Å; R45-N62 PolarHBondContact O-N 2.89Å; R45-S63 PolarHBondContact NH1-O 3.01Å; R45-D68 IonicContact CZ-OD1 3.76Å; R45-D68 IonicContact CZ-OD2 3.4Å; R45-D68 IonicContact NH1-OD1 3.76Å; R45-D68 IonicContact NH1-OD2 2.67Å; R45-D68 PolarHBondContact NH1-OD2 2.98Å; R45-D68 IonicContact NH2-OD1 2.82Å; R45-D68 PolarHBondContact NH2-OD1 3Å; R45-D68 IonicContact NH2-OD2 3.23Å; R45-D68 PolarHBondContact NH2-OD2 3Å
46F98.1Very high96.6Very high3 Ų360.5 Ų60.51%0.01334%0.34CS..EExtended strand (participates in β ladder)trans-104.1148.4-177.3-64.97.6000110.7V26 Y38 V42 L59 Q60 M61 L64 D68 Y72V26-F46 HydrophobicContact CG1-CD2 3.91Å; V26-F46 HydrophobicContact CG1-CE2 4.36Å; Y38-F46 WeakPolarHBondContact CE1-O 3.31Å; V42-F46 HydrophobicContact CB-CB 4.07Å; V42-F46 HydrophobicContact CB-CD1 4.37Å; V42-F46 HydrophobicContact CB-CD2 3.58Å; V42-F46 HydrophobicContact CB-CE2 4.05Å; V42-F46 HydrophobicContact CB-CG 3.76Å; V42-F46 HydrophobicContact CG1-CD2 3.5Å; V42-F46 VanDerWaalsContact CG1-CD2 3.5Å; V42-F46 HydrophobicContact CG1-CE2 3.44Å; V42-F46 VanDerWaalsContact CG1-CE2 3.44Å; V42-F46 HydrophobicContact CG1-CG 4.12Å; V42-F46 HydrophobicContact CG1-CZ 3.99Å; V42-F46 HydrophobicContact CG2-CB 4.45Å; V42-F46 HydrophobicContact CG2-CD2 4.24Å; V42-F46 PolarHBondContact O-N 3.45Å; F46-L59 HydrophobicContact CB-CD1 4.13Å; F46-L59 HydrophobicContact CD2-CD1 4.36Å; F46-L59 HydrophobicContact CD2-CD2 4.06Å; F46-L59 HydrophobicContact CD2-CG 4.35Å; F46-L59 HydrophobicContact CE2-CD2 4.48Å; F46-Q60 CarbonylContact C-O 3.45Å; F46-Q60 VanDerWaalsContact CA-O 3.24Å; F46-Q60 WeakPolarHBondContact CA-O 3.39Å; F46-M61 HydrophobicContact CD1-CB 3.88Å; F46-M61 HydrophobicContact CD1-CG 4.05Å; F46-M61 HydrophobicContact CD2-CG 3.93Å; F46-M61 HydrophobicContact CE1-CB 3.75Å; F46-M61 HydrophobicContact CE1-CG 4Å; F46-M61 HydrophobicContact CE2-CB 4.49Å; F46-M61 HydrophobicContact CE2-CG 3.85Å; F46-M61 HydrophobicContact CE2-SD 4.16Å; F46-M61 HydrophobicContact CG-CB 4.37Å; F46-M61 HydrophobicContact CG-CG 4.05Å; F46-M61 HydrophobicContact CZ-CB 4.08Å; F46-M61 HydrophobicContact CZ-CG 3.9Å; F46-M61 HydrophobicContact CZ-SD 4.25Å; F46-L64 HydrophobicContact CE1-CD2 3.88Å; F46-L64 HydrophobicContact CZ-CD2 3.74Å; F46-D68 HydrophobicContact CZ-CB 4.28Å; F46-Y72 HydrophobicContact CE2-CE1 4.16Å
47T98.3Very high96.6Very high62 Ų6258.2 Ų58.238%0.3833%0.329SS..EExtended strand (participates in β ladder)trans-129.2121176.8-55.70000109.1Q60T47-Q60 PolarHBondContact N-O 3.36Å; T47-Q60 PolarHBondContact O-N 2.91Å
48I98.3Very high96.7Very high3 Ų356.9 Ų56.92%0.01532%0.323CS..EExtended strand (participates in β ladder)trans-92139.8173.7-171.2175.3000109.5I29 I36 Y38 L57 Y58 L59I29-I48 HydrophobicContact CB-CD1 3.91Å; I29-I48 HydrophobicContact CB-CG1 4.21Å; I29-I48 HydrophobicContact CB-CG2 4.18Å; I29-I48 HydrophobicContact CG2-CD1 3.53Å; I29-I48 HydrophobicContact CG2-CG1 3.89Å; I36-I48 HydrophobicContact CG2-CG2 3.43Å; I36-I48 VanDerWaalsContact CG2-CG2 3.43Å; Y38-I48 HydrophobicContact CE1-CB 4.42Å; Y38-I48 HydrophobicContact CE1-CG2 3.91Å; Y38-I48 PolarHBondContact OH-N 2.82Å; I48-L57 HydrophobicContact CD1-CD1 4.07Å; I48-L57 HydrophobicContact CG1-CD1 4.08Å; I48-Y58 WeakPolarHBondContact CA-O 3.49Å; I48-L59 HydrophobicContact CB-CD1 4.35Å
49S98.3Very high96.7Very high55 Ų5555.1 Ų55.139%0.38532%0.318SS..EExtended strand (participates in β ladder)trans-147.6163.117366.90000111Y58S49-Y58 PolarHBondContact N-O 3.23Å; S49-Y58 PolarHBondContact O-N 3.36Å
50R97Very high96.9Very high27 Ų2760.2 Ų60.210%0.10234%0.339CS..EExtended strand (participates in β ladder)trans-140.1151-178.467.4-178.3-67.8156.22.1111.7F7 Y10 I29 S30 S33 N52 S56 L57F7-R50 HydrophobicContact CE1-CB 4.27Å; F7-R50 HydrophobicContact CZ-CB 4.25Å; F7-R50 PolarHBondContact O-NH2 2.99Å; Y10-R50 PolarHBondContact O-NH1 2.82Å; I29-R50 HydrophobicContact CD1-CB 4.41Å; I29-R50 HydrophobicContact CD1-CG 3.87Å; I29-R50 HydrophobicContact CG1-CG 4.36Å; I29-R50 HydrophobicContact CG2-CB 4.47Å; S30-R50 WeakPolarHBondContact O-CD 3.49Å; S30-R50 PolarHBondContact O-NH1 2.88Å; S33-R50 WeakPolarHBondContact OG-CD 3.18Å; S33-R50 WeakPolarHBondContact OG-CG 3.45Å; R50-N52 PolarHBondContact NE-OD1 3.22Å; R50-N52 PolarHBondContact NH2-OD1 3Å; R50-S56 CarbonylContact C-O 3.56Å; R50-S56 WeakPolarHBondContact CA-O 3.44Å; R50-L57 HydrophobicContact CB-CD1 4.1Å
51D97.3Very high97Very high41 Ų4156 Ų5622%0.21932%0.316CS..EExtended strand (participates in β ladder)trans-124.7110169.5-175.4-28.9000108.7A53 K54 N55 S56 Y58D51-A53 WeakPolarHBondContact OD1-CB 2.95Å; D51-A53 PolarHBondContact OD1-N 2.77Å; D51-K54 HydrophobicContact CB-CB 4.15Å; D51-K54 PolarHBondContact O-N 2.9Å; D51-K54 PolarHBondContact OD1-N 3.31Å; D51-K54 VanDerWaalsContact OD2-CD 3.24Å; D51-K54 WeakPolarHBondContact OD2-CD 3.21Å; D51-K54 WeakPolarHBondContact OD2-CE 3.26Å; D51-K54 WeakPolarHBondContact OD2-CG 3.09Å; D51-K54 IonicContact OD2-NZ 2.74Å; D51-K54 PolarHBondContact OD2-NZ 3.18Å; D51-N55 PolarHBondContact O-N 3.39Å; D51-N55 VanDerWaalsContact O-N 3.07Å; D51-S56 PolarHBondContact N-O 2.92Å; D51-S56 PolarHBondContact O-N 3.49Å; D51-Y58 HydrophobicContact CB-CE2 3.98Å
52N95.5Very high97.1Very high65 Ų6557.1 Ų57.135%0.34832%0.318SS..THydrogen-bonded Turntrans-72.4-31.5-178.6-75.5-15.5000112.8F7 S31 R50 K54 N55F7-N52 WeakPolarHBondContact CD1-OD1 3.34Å; F7-N52 WeakPolarHBondContact CE1-OD1 3.37Å; S31-N52 PolarHBondContact O-ND2 2.95Å; R50-N52 PolarHBondContact NE-OD1 3.22Å; R50-N52 PolarHBondContact NH2-OD1 3Å; N52-K54 VanDerWaalsContact C-N 3.27Å; N52-K54 PolarHBondContact O-N 3.49Å; N52-N55 PolarHBondContact O-N 2.93Å; N52-N55 PolarHBondContact O-OD1 3.35Å
53A95.9Very high97Very high96 Ų9661.6 Ų61.679%0.79335%0.35SS*.THydrogen-bonded Turntrans-69.8-31.2177.300000111.1D51D51-A53 WeakPolarHBondContact OD1-CB 2.95Å; D51-A53 PolarHBondContact OD1-N 2.77Å
54K96.8Very high97.1Very high124 Ų12458 Ų5854%0.53934%0.337SS..THydrogen-bonded Turntrans-97.33.7178.6-60-174.7-167.9116.30114.4A1 D51 N52 S56A1-K54 WeakPolarHBondContact CB-O 3.31Å; D51-K54 HydrophobicContact CB-CB 4.15Å; D51-K54 PolarHBondContact O-N 2.9Å; D51-K54 PolarHBondContact OD1-N 3.31Å; D51-K54 VanDerWaalsContact OD2-CD 3.24Å; D51-K54 WeakPolarHBondContact OD2-CD 3.21Å; D51-K54 WeakPolarHBondContact OD2-CE 3.26Å; D51-K54 WeakPolarHBondContact OD2-CG 3.09Å; D51-K54 IonicContact OD2-NZ 2.74Å; D51-K54 PolarHBondContact OD2-NZ 3.18Å; N52-K54 VanDerWaalsContact C-N 3.27Å; N52-K54 PolarHBondContact O-N 3.49Å; K54-S56 PolarHBondContact O-N 3.17Å; K54-S56 VanDerWaalsContact O-N 3.15Å; K54-S56 PolarHBondContact O-OG 3.04Å
55N95.1Very high97Very high62 Ų6260.9 Ų60.933%0.33232%0.321SS..THydrogen-bonded Turntrans45.644.1-172.9-62.7-36.5000112.6A1 A2 F7 D51 N52A1-N55 CarbonylContact C-O 3.52Å; A1-N55 WeakPolarHBondContact CA-O 3.31Å; A1-N55 HydrophobicContact CB-CB 4.47Å; A2-N55 PolarHBondContact N-O 2.91Å; F7-N55 HydrophobicContact CB-CB 3.95Å; F7-N55 WeakPolarHBondContact CB-OD1 3.19Å; F7-N55 HydrophobicContact CD1-CB 4.49Å; F7-N55 HydrophobicContact CD2-CB 4.43Å; F7-N55 HydrophobicContact CG-CB 4.07Å; D51-N55 PolarHBondContact O-N 3.39Å; D51-N55 VanDerWaalsContact O-N 3.07Å; N52-N55 PolarHBondContact O-N 2.93Å; N52-N55 PolarHBondContact O-OD1 3.35Å
56S95.8Very high96.9Very high19 Ų1962.3 Ų62.313%0.13334%0.339CS..EExtended strand (participates in β ladder)trans-126.3136.2-168.9-68.80000111.9F7 R50 D51 K54 Y58F7-S56 VanDerWaalsContact CZ-C 3.49Å; F7-S56 WeakPolarHBondContact CZ-O 3.32Å; R50-S56 CarbonylContact C-O 3.56Å; R50-S56 WeakPolarHBondContact CA-O 3.44Å; D51-S56 PolarHBondContact N-O 2.92Å; D51-S56 PolarHBondContact O-N 3.49Å; K54-S56 PolarHBondContact O-N 3.17Å; K54-S56 VanDerWaalsContact O-N 3.15Å; K54-S56 PolarHBondContact O-OG 3.04Å; S56-Y58 VanDerWaalsContact CB-OH 3.3Å; S56-Y58 WeakPolarHBondContact CB-OH 3.21Å
57L96.7Very high96.8Very high23 Ų2368.8 Ų68.812%0.1237%0.369CS..EExtended strand (participates in β ladder)trans-112.7136.9175.7-172.572.4000108.5F7 M12 W14 I29 I48 R50 C74 W101F7-L57 HydrophobicContact CE2-CB 4.28Å; F7-L57 HydrophobicContact CZ-CB 4.21Å; M12-L57 HydrophobicContact CB-CD1 3.66Å; M12-L57 HydrophobicContact CB-CD2 3.92Å; M12-L57 HydrophobicContact CB-CG 4.36Å; M12-L57 HydrophobicContact CG-CD1 4.48Å; W14-L57 HydrophobicContact CD2-CD2 4.43Å; W14-L57 HydrophobicContact CG-CD2 4.42Å; W14-L57 HydrophobicContact CZ2-CD2 4.35Å; W14-L57 HydrophobicContact CZ2-CG 4.47Å; W14-L57 VanDerWaalsContact NE1-CD2 3.32Å; I29-L57 HydrophobicContact CG2-CD1 3.57Å; I48-L57 HydrophobicContact CD1-CD1 4.07Å; I48-L57 HydrophobicContact CG1-CD1 4.08Å; R50-L57 HydrophobicContact CB-CD1 4.1Å; L57-C74 HydrophobicContact CD2-CB 4.23Å; L57-W101 HydrophobicContact CD2-CH2 4.09Å; L57-W101 HydrophobicContact CD2-CZ2 4.41Å
58Y97.5Very high96.7Very high99 Ų9965.9 Ų65.939%0.38835%0.351SS..EExtended strand (participates in β ladder)trans-124.9146.2-177.4-53.3-81.3000110.2W14 I48 S49 D51 S56W14-Y58 PolarHBondContact NE1-O 2.98Å; I48-Y58 WeakPolarHBondContact CA-O 3.49Å; S49-Y58 PolarHBondContact N-O 3.23Å; S49-Y58 PolarHBondContact O-N 3.36Å; D51-Y58 HydrophobicContact CB-CE2 3.98Å; S56-Y58 VanDerWaalsContact CB-OH 3.3Å; S56-Y58 WeakPolarHBondContact CB-OH 3.21Å
59L97.9Very high96.7Very high26 Ų2667.5 Ų67.514%0.13636%0.361CS..EExtended strand (participates in β ladder)trans-128.1105.5168.8-171.366.4000107.5W14 V26 F46 I48 M61 Y72W14-L59 HydrophobicContact CB-CD2 4.22Å; W14-L59 HydrophobicContact CD2-CB 4.05Å; W14-L59 HydrophobicContact CD2-CD2 4.14Å; W14-L59 HydrophobicContact CG-CB 4.16Å; W14-L59 HydrophobicContact CG-CD1 4.31Å; W14-L59 HydrophobicContact CG-CD2 3.97Å; W14-L59 HydrophobicContact CG-CG 4.39Å; W14-L59 HydrophobicContact CZ2-CB 4.14Å; V26-L59 HydrophobicContact CG1-CD2 4.1Å; F46-L59 HydrophobicContact CB-CD1 4.13Å; F46-L59 HydrophobicContact CD2-CD1 4.36Å; F46-L59 HydrophobicContact CD2-CD2 4.06Å; F46-L59 HydrophobicContact CD2-CG 4.35Å; F46-L59 HydrophobicContact CE2-CD2 4.48Å; I48-L59 HydrophobicContact CB-CD1 4.35Å; L59-M61 HydrophobicContact CD2-CG 4.01Å; L59-M61 HydrophobicContact CD2-SD 4.13Å; L59-M61 HydrophobicContact CG-CG 3.93Å; L59-Y72 HydrophobicContact CD2-CD1 4Å; L59-Y72 HydrophobicContact CD2-CE1 4.19Å
60Q98.4Very high96.7Very high115 Ų11565 Ų6554%0.53734%0.344SS..EExtended strand (participates in β ladder)trans-81.3124169-176.9170.45.700108.3F46 T47 N62F46-Q60 CarbonylContact C-O 3.45Å; F46-Q60 VanDerWaalsContact CA-O 3.24Å; F46-Q60 WeakPolarHBondContact CA-O 3.39Å; T47-Q60 PolarHBondContact N-O 3.36Å; T47-Q60 PolarHBondContact O-N 2.91Å; Q60-N62 PolarHBondContact NE2-OD1 2.86Å
61M97.7Very high96.7Very high58 Ų5865.5 Ų65.529%0.28635%0.35SS..EExtended strand (participates in β ladder)trans-113.1104.4-177.3-62.1175.1-73.900108.9F46 L59 L64 Y72 V107F46-M61 HydrophobicContact CD1-CB 3.88Å; F46-M61 HydrophobicContact CD1-CG 4.05Å; F46-M61 HydrophobicContact CD2-CG 3.93Å; F46-M61 HydrophobicContact CE1-CB 3.75Å; F46-M61 HydrophobicContact CE1-CG 4Å; F46-M61 HydrophobicContact CE2-CB 4.49Å; F46-M61 HydrophobicContact CE2-CG 3.85Å; F46-M61 HydrophobicContact CE2-SD 4.16Å; F46-M61 HydrophobicContact CG-CB 4.37Å; F46-M61 HydrophobicContact CG-CG 4.05Å; F46-M61 HydrophobicContact CZ-CB 4.08Å; F46-M61 HydrophobicContact CZ-CG 3.9Å; F46-M61 HydrophobicContact CZ-SD 4.25Å; L59-M61 HydrophobicContact CD2-CG 4.01Å; L59-M61 HydrophobicContact CD2-SD 4.13Å; L59-M61 HydrophobicContact CG-CG 3.93Å; M61-L64 HydrophobicContact CB-CD1 4.24Å; M61-L64 HydrophobicContact CB-CD2 3.91Å; M61-L64 HydrophobicContact CB-CG 4.04Å; M61-L64 HydrophobicContact SD-CD2 4.26Å; M61-Y72 HydrophobicContact SD-CE1 4.35Å; M61-V107 HydrophobicContact CE-CG1 4.47Å; M61-V107 HydrophobicContact CE-CG2 4.06Å
62N96.4Very high96.7Very high71 Ų7163.7 Ų63.738%0.3834%0.34SS..  trans-99.7156.1174.5-54-49.9000110R45 Q60 L64R45-N62 WeakPolarHBondContact CB-O 3.35Å; R45-N62 WeakPolarHBondContact O-CA 3.27Å; R45-N62 VanDerWaalsContact O-CB 3.27Å; R45-N62 WeakPolarHBondContact O-CB 3.37Å; R45-N62 PolarHBondContact O-N 2.89Å; Q60-N62 PolarHBondContact NE2-OD1 2.86Å; N62-L64 VanDerWaalsContact C-N 3.27Å; N62-L64 PolarHBondContact O-N 2.87Å
63S95.8Very high96.7Very high94 Ų9462.7 Ų62.766%0.65733%0.332SS*.SBendtrans50.247.3176.3-54.30000112.9R45R45-S63 PolarHBondContact NH1-O 3.01Å
64L96.4Very high96.7Very high67 Ų6759.1 Ų59.135%0.35130%0.301SS..  trans-58.4143.8176.4-81.1168.8000110.9F46 M61 N62 D68 V109F46-L64 HydrophobicContact CE1-CD2 3.88Å; F46-L64 HydrophobicContact CZ-CD2 3.74Å; M61-L64 HydrophobicContact CB-CD1 4.24Å; M61-L64 HydrophobicContact CB-CD2 3.91Å; M61-L64 HydrophobicContact CB-CG 4.04Å; M61-L64 HydrophobicContact SD-CD2 4.26Å; N62-L64 VanDerWaalsContact C-N 3.27Å; N62-L64 PolarHBondContact O-N 2.87Å; L64-D68 HydrophobicContact CD2-CB 3.7Å; L64-V109 HydrophobicContact CB-CG1 4.22Å; L64-V109 HydrophobicContact CB-CG2 4Å; L64-V109 HydrophobicContact CD1-CG2 4.19Å; L64-V109 HydrophobicContact CD2-CG2 4.16Å; L64-V109 HydrophobicContact CG-CG2 4.35Å
65R96.2Very high96.5Very high143 Ų14353.2 Ų53.254%0.5428%0.275SS..  trans-124.8164.2177.1-52.2176.3179.1169.3-1.3109.9E67 D68 V109R65-E67 WeakPolarHBondContact CB-OE2 3.46Å; R65-E67 PolarHBondContact O-N 2.83Å; R65-E67 VanDerWaalsContact O-N 3.14Å; R65-D68 PolarHBondContact N-OD2 3.06Å; R65-D68 WeakPolarHBondContact O-CB 3.24Å; R65-D68 PolarHBondContact O-N 3.31Å; R65-V109 WeakPolarHBondContact O-CB 3.32Å; R65-V109 WeakPolarHBondContact O-CG1 3.46Å
66A95.9Very high96.2Very high56 Ų5652.6 Ų52.646%0.46327%0.268SS..G310 helixtrans-55.3-33.9179.100000112.1D68 T69A66-D68 PolarHBondContact O-N 3.47Å; A66-T69 VanDerWaalsContact O-CB 3.32Å; A66-T69 WeakPolarHBondContact O-CB 3.33Å; A66-T69 PolarHBondContact O-N 3.06Å; A66-T69 PolarHBondContact O-OG1 3.33Å
67E94.8Very high95.6Very high138 Ų13854 Ų5465%0.64527%0.273SS*.G310 helixtrans-69.2-14.6179.2-53.175.7-155.900113.7R65 T69R65-E67 WeakPolarHBondContact CB-OE2 3.46Å; R65-E67 PolarHBondContact O-N 2.83Å; R65-E67 VanDerWaalsContact O-N 3.14Å; E67-T69 PolarHBondContact O-N 2.82Å
68D97.1Very high94.2Very high2 Ų253.1 Ų53.11%0.01127%0.269CS..G310 helixtrans-81.9-2.9175.7-61.1-52000113R16 R45 F46 L64 R65 A66 A70 Y72R16-D68 IonicContact CZ-OD1 3.04Å; R16-D68 IonicContact NH1-OD1 3.83Å; R16-D68 PolarHBondContact NH1-OD1 3.14Å; R45-D68 IonicContact CZ-OD1 3.76Å; R45-D68 IonicContact CZ-OD2 3.4Å; R45-D68 IonicContact NH1-OD1 3.76Å; R45-D68 IonicContact NH1-OD2 2.67Å; R45-D68 PolarHBondContact NH1-OD2 2.98Å; R45-D68 IonicContact NH2-OD1 2.82Å; R45-D68 PolarHBondContact NH2-OD1 3Å; R45-D68 IonicContact NH2-OD2 3.23Å; R45-D68 PolarHBondContact NH2-OD2 3Å; F46-D68 HydrophobicContact CZ-CB 4.28Å; L64-D68 HydrophobicContact CD2-CB 3.7Å; R65-D68 PolarHBondContact N-OD2 3.06Å; R65-D68 WeakPolarHBondContact O-CB 3.24Å; R65-D68 PolarHBondContact O-N 3.31Å; A66-D68 PolarHBondContact O-N 3.47Å; D68-A70 PolarHBondContact O-N 3.05Å; D68-A70 VanDerWaalsContact O-N 3.14Å; D68-Y72 WeakPolarHBondContact O-CE2 3.27Å; D68-Y72 PolarHBondContact O-OH 3.47Å
69T97.9Very high92.3Very high36 Ų3650.4 Ų50.422%0.22127%0.267CS..  trans-62.6111.3174.8-64.70000110.5A66 E67 V107 T108 V109A66-T69 VanDerWaalsContact O-CB 3.32Å; A66-T69 WeakPolarHBondContact O-CB 3.33Å; A66-T69 PolarHBondContact O-N 3.06Å; A66-T69 PolarHBondContact O-OG1 3.33Å; E67-T69 PolarHBondContact O-N 2.82Å; T69-V107 WeakPolarHBondContact CA-O 3.34Å; T69-T108 HydrophobicContact CG2-CG2 4.37Å; T69-V109 PolarHBondContact OG1-N 3.45Å; T69-V109 PolarHBondContact OG1-O 2.96Å
70A97.9Very high90.1Very high4 Ų451 Ų513%0.03327%0.273CS..EExtended strand (participates in β ladder)trans-165167.9-174.900000111.2R16 Q17 A18 D68 Y72 V107R16-A70 HydrophobicContact CB-CB 3.9Å; R16-A70 HydrophobicContact CG-CB 4.21Å; Q17-A70 WeakPolarHBondContact O-CA 3.29Å; Q17-A70 WeakPolarHBondContact O-CB 3.34Å; A18-A70 HydrophobicContact CB-CB 4.41Å; D68-A70 PolarHBondContact O-N 3.05Å; D68-A70 VanDerWaalsContact O-N 3.14Å; A70-Y72 HydrophobicContact CB-CD2 4.26Å; A70-Y72 HydrophobicContact CB-CE2 3.77Å; A70-Y72 WeakPolarHBondContact O-CD2 3.14Å; A70-V107 PolarHBondContact N-O 2.74Å; A70-V107 VanDerWaalsContact N-O 3.08Å; A70-V107 PolarHBondContact O-N 2.77Å
71V98Very high87.7Confident36 Ų3651 Ų5122%0.21829%0.291CS..EExtended strand (participates in β ladder)trans-87.6123.7161.9-1720000108.4R16 Q17 Y73 T105R16-V71 CarbonylContact C-O 3.54Å; R16-V71 WeakPolarHBondContact CA-O 3.5Å; Q17-V71 PolarHBondContact N-O 2.64Å; Q17-V71 PolarHBondContact O-N 2.98Å; V71-Y73 HydrophobicContact CB-CE2 3.83Å; V71-Y73 HydrophobicContact CG1-CD1 4.5Å; V71-Y73 HydrophobicContact CG1-CD2 4.39Å; V71-Y73 HydrophobicContact CG1-CE1 3.8Å; V71-Y73 HydrophobicContact CG1-CE2 3.69Å; V71-Y73 WeakPolarHBondContact CG1-OH 3.26Å; V71-Y73 WeakPolarHBondContact O-CE2 3.36Å; V71-T105 CarbonylContact C-O 3.58Å; V71-T105 WeakPolarHBondContact CA-O 3.44Å
72Y97.4Very high85.5Confident3 Ų352.1 Ų52.11%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-101127.9-179.8-72.7-103.3000110.2V15 R16 V26 F46 L59 M61 D68 A70 G104 T105 V107V15-Y72 CarbonylContact O-C 3.47Å; V15-Y72 WeakPolarHBondContact O-CA 3.33Å; R16-Y72 HydrophobicContact CB-CD1 3.75Å; R16-Y72 HydrophobicContact CB-CD2 4.36Å; R16-Y72 HydrophobicContact CB-CE1 3.73Å; R16-Y72 HydrophobicContact CB-CE2 4.32Å; R16-Y72 HydrophobicContact CB-CG 4.07Å; R16-Y72 WeakPolarHBondContact CD-OH 3.47Å; R16-Y72 HydrophobicContact CG-CE1 4.29Å; R16-Y72 PolarHBondContact NH1-OH 2.82Å; R16-Y72 VanDerWaalsContact NH1-OH 3.11Å; V26-Y72 HydrophobicContact CG2-CD1 4.46Å; V26-Y72 HydrophobicContact CG2-CE1 4.19Å; F46-Y72 HydrophobicContact CE2-CE1 4.16Å; L59-Y72 HydrophobicContact CD2-CD1 4Å; L59-Y72 HydrophobicContact CD2-CE1 4.19Å; M61-Y72 HydrophobicContact SD-CE1 4.35Å; D68-Y72 WeakPolarHBondContact O-CE2 3.27Å; D68-Y72 PolarHBondContact O-OH 3.47Å; A70-Y72 HydrophobicContact CB-CD2 4.26Å; A70-Y72 HydrophobicContact CB-CE2 3.77Å; A70-Y72 WeakPolarHBondContact O-CD2 3.14Å; Y72-G104 CarbonylContact O-C 3.52Å; Y72-G104 WeakPolarHBondContact O-CA 3.24Å; Y72-T105 PolarHBondContact N-O 2.93Å; Y72-T105 PolarHBondContact O-N 3Å; Y72-V107 HydrophobicContact CD2-CB 3.89Å; Y72-V107 HydrophobicContact CD2-CG2 3.63Å; Y72-V107 HydrophobicContact CE2-CB 3.79Å; Y72-V107 HydrophobicContact CE2-CG1 4.49Å; Y72-V107 HydrophobicContact CE2-CG2 3.96Å; Y72-V107 HydrophobicContact CG-CG2 4.45Å
73Y96.1Very high83.5Confident45 Ų4551.5 Ų51.518%0.17632%0.319CS..EExtended strand (participates in β ladder)trans-119.4149.9179.2-48.8-96.1000110.4W14 V15 Q17 L23 V71 V100W14-Y73 WeakPolarHBondContact CA-O 3.46Å; W14-Y73 VanDerWaalsContact CE3-O 3.32Å; V15-Y73 HydrophobicContact CG2-CD2 4.34Å; V15-Y73 PolarHBondContact N-O 3.02Å; V15-Y73 PolarHBondContact O-N 3.04Å; V15-Y73 VanDerWaalsContact O-O 3.13Å; Q17-Y73 HydrophobicContact CB-CE2 3.97Å; L23-Y73 HydrophobicContact CD2-CD2 4.13Å; L23-Y73 HydrophobicContact CD2-CE2 4.18Å; V71-Y73 HydrophobicContact CB-CE2 3.83Å; V71-Y73 HydrophobicContact CG1-CD1 4.5Å; V71-Y73 HydrophobicContact CG1-CD2 4.39Å; V71-Y73 HydrophobicContact CG1-CE1 3.8Å; V71-Y73 HydrophobicContact CG1-CE2 3.69Å; V71-Y73 WeakPolarHBondContact CG1-OH 3.26Å; V71-Y73 WeakPolarHBondContact O-CE2 3.36Å; Y73-V100 HydrophobicContact CD1-CG1 3.98Å; Y73-V100 HydrophobicContact CG-CG1 4.11Å
74C94Very high81.3Confident21 Ų2151.9 Ų51.914%0.14231%0.314CS..EExtended strand (participates in β ladder)trans-100.1133.6171.753.90000109.5N13 W14 L57 W101N13-C74 WeakPolarHBondContact O-CA 3.25Å; W14-C74 HydrophobicContact CE3-CB 4.42Å; W14-C74 HydrophobicContact CH2-CB 4.39Å; W14-C74 HydrophobicContact CZ3-CB 4.29Å; L57-C74 HydrophobicContact CD2-CB 4.23Å; C74-W101 HydrophobicContact CB-CD2 4.47Å; C74-W101 HydrophobicContact CB-CH2 3.67Å; C74-W101 HydrophobicContact CB-CZ2 3.29Å; C74-W101 PolarHBondContact O-N 3.07Å; C74-W101 VanDerWaalsContact O-N 3.15Å; C74-W101 VanDerWaalsContact SG-CZ2 3.54Å; C74-W101 PolarHBondContact SG-NE1 3.3Å
75A92.4Very high79.1Confident0 Ų055 Ų550%034%0.338CS..EExtended strand (participates in β ladder)trans-138.5135.9-171.800000112.3N13 V15 M98 D99 V100 W101N13-A75 WeakPolarHBondContact CA-O 3.43Å; N13-A75 HydrophobicContact CB-CB 4.45Å; N13-A75 VanDerWaalsContact CB-O 3.31Å; N13-A75 WeakPolarHBondContact CB-O 3.36Å; N13-A75 PolarHBondContact N-O 3.12Å; N13-A75 PolarHBondContact ND2-O 2.82Å; N13-A75 PolarHBondContact O-N 2.95Å; V15-A75 HydrophobicContact CG1-CB 4.45Å; V15-A75 HydrophobicContact CG2-CB 4.4Å; A75-M98 HydrophobicContact CB-CB 4.24Å; A75-D99 CarbonylContact C-O 3.47Å; A75-D99 VanDerWaalsContact CA-O 3.24Å; A75-D99 WeakPolarHBondContact CA-O 3.34Å; A75-V100 HydrophobicContact CB-CG2 4.11Å; A75-W101 VanDerWaalsContact CA-CZ3 3.41Å; A75-W101 VanDerWaalsContact N-CZ3 3.33Å; A75-W101 WeakPolarHBondContact O-CZ3 3.4Å
76R89.9Confident77Confident49 Ų4954 Ų5419%0.18535%0.348CS..EExtended strand (participates in β ladder)trans-100.5144.5-174.561.3179.8175173.2-0.6108.2M12 D99 W101M12-R76 HydrophobicContact CE-CB 4.5Å; M12-R76 HydrophobicContact SD-CB 3.95Å; R76-D99 HydrophobicContact CG-CB 3.84Å; R76-D99 IonicContact CZ-OD2 3.17Å; R76-D99 PolarHBondContact N-O 3.29Å; R76-D99 IonicContact NE-OD2 2.82Å; R76-D99 PolarHBondContact NE-OD2 3.15Å; R76-D99 IonicContact NH2-OD2 2.71Å; R76-D99 PolarHBondContact NH2-OD2 3.45Å; R76-D99 PolarHBondContact O-N 3.14Å; R76-W101 VanDerWaalsContact CA-CZ3 3.43Å; R76-W101 HydrophobicContact CB-CE3 3.53Å; R76-W101 HydrophobicContact CB-CZ3 3.5Å; R76-W101 VanDerWaalsContact CB-CZ3 3.5Å; R76-W101 HydrophobicContact CG-CE3 3.93Å; R76-W101 HydrophobicContact CG-CZ3 4.39Å
77E83.1Confident74.7Confident49 Ų4954 Ų5423%0.22934%0.342CS..EExtended strand (participates in β ladder)trans-92.5102.5175.9-167.1-179.7-158.100108.5Y10 S11 Y96Y10-E77 WeakPolarHBondContact CD1-O 3.41Å; S11-E77 VanDerWaalsContact CB-OE2 3.26Å; S11-E77 WeakPolarHBondContact CB-OE2 3.5Å; S11-E77 PolarHBondContact O-N 2.97Å; S11-E77 PolarHBondContact OG-OE2 2.82Å; E77-Y96 HydrophobicContact CB-CD1 4.5Å; E77-Y96 HydrophobicContact CG-CD1 3.53Å; E77-Y96 HydrophobicContact CG-CD2 4.49Å; E77-Y96 HydrophobicContact CG-CE1 4.49Å; E77-Y96 HydrophobicContact CG-CG 3.56Å
78G67Low72.2Confident4 Ų452 Ų524%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-93.4128.6-178.200000112.1Y96 Y97G78-Y96 WeakPolarHBondContact O-CD1 3.35Å; G78-Y97 PolarHBondContact N-O 3.41Å
79A57.2Low70.1Confident41 Ų4157.6 Ų57.634%0.33937%0.373SS..PPolyproline II helixtrans-67138.5169.400000109A81 S83 Y96A79-A81 PolarHBondContact O-N 3.31Å; A79-S83 WeakPolarHBondContact CB-OG 3.14Å; A79-Y96 HydrophobicContact CB-CD1 4.25Å; A79-Y96 HydrophobicContact CB-CE1 3.51Å; A79-Y96 VanDerWaalsContact N-CD1 3.34Å
80P52.6Low67.9Low40 Ų4063.5 Ų63.526%0.2640%0.403SS..PPolyproline II helixtrans-62.7139.7171.625.2-28.6000108.6G82 S83 Y95P80-G82 PolarHBondContact O-N 2.73Å; P80-S83 PolarHBondContact O-N 2.85Å; P80-Y95 VanDerWaalsContact CD-O 3.29Å; P80-Y95 WeakPolarHBondContact CD-O 3.43Å; P80-Y95 HydrophobicContact CG-CD1 4.01Å; P80-Y95 HydrophobicContact CG-CG 4.31Å; P80-Y95 WeakPolarHBondContact CG-O 3.3Å
81A47.2Very low65.5Low113 Ų11369.3 Ų69.393%0.93443%0.429SS*.THydrogen-bonded Turntrans-53.6115.1178.700000109.7A79A79-A81 PolarHBondContact O-N 3.31Å
82G51.3Low63.2Low82 Ų8270.2 Ų70.285%0.84543%0.432SS*.THydrogen-bonded Turntrans110.42.9178.800000116.8P80 N84P80-G82 PolarHBondContact O-N 2.73Å; G82-N84 PolarHBondContact O-N 3.04Å
83S54.4Low60.9Low58 Ų5874.5 Ų74.541%0.40646%0.463SS..  trans-68.8120.6176.761.60000112.4A79 P80A79-S83 WeakPolarHBondContact CB-OG 3.14Å; P80-S83 PolarHBondContact O-N 2.85Å
84N49.5Very low58.5Low103 Ų10382 Ų8255%0.55149%0.492SS*.  trans-66.2137.6178.6-172.3-31.4000111.3G82 V86G82-N84 PolarHBondContact O-N 3.04Å; N84-V86 PolarHBondContact O-N 2.76Å; N84-V86 PolarHBondContact OD1-N 3.09Å
85P51.8Low56.5Low131 Ų13188.6 Ų88.685%0.85152%0.515SS*.SBendtrans-64.4-2.7-179.124.8-35.8000116
86V50.6Low54.9Low124 Ų12492 Ų9275%0.75253%0.528SS*.  trans-10437.5-176.8-1630000112.5N84N84-V86 PolarHBondContact O-N 2.76Å; N84-V86 PolarHBondContact OD1-N 3.09Å
87V47.6Very low53.9Low56 Ų5696 Ų9634%0.33955%0.545SS..  trans-104.9127.7177.9-1760000110.2Q91 L92V87-Q91 HydrophobicContact CG1-CB 3.52Å; V87-L92 HydrophobicContact CB-CD2 3.85Å; V87-L92 HydrophobicContact CB-CG 4.44Å; V87-L92 HydrophobicContact CG1-CD2 3.97Å; V87-L92 HydrophobicContact CG1-CG 4.25Å
88T43.7Very low53.6Low96 Ų9698 Ų9859%0.58956%0.555SS**  trans-70.7150.8-175.556.30000111.7L90 Q91 L92T88-L90 PolarHBondContact O-N 3.32Å; T88-Q91 PolarHBondContact O-N 2.84Å; T88-L92 PolarHBondContact O-N 3.49Å
89V52.7Low54.4Low118 Ų118100.1 Ų100.172%0.71557%0.566SS**Hα-helixtrans-48.8-28.4-171.3-176.20000114.4
90L50.4Low55.6Low160 Ų160101 Ų10184%0.83857%0.567SS**Hα-helixtrans-81.3-23.1-179-65.7171.9000114.3T88T88-L90 PolarHBondContact O-N 3.32Å
91Q48.5Very low57Low126 Ų126102.1 Ų102.159%0.58957%0.566SS**Hα-helixtrans-92.7-16.8178-104.7170-30.300113.2V87 T88V87-Q91 HydrophobicContact CG1-CB 3.52Å; T88-Q91 PolarHBondContact O-N 2.84Å
92L49.2Very low58.4Low55 Ų5597.8 Ų97.829%0.28853%0.532SS..Hα-helixtrans-67.4-43.9-176.9-72.1175.4000111.7V87 T88 Y94 Y95 Y96V87-L92 HydrophobicContact CB-CD2 3.85Å; V87-L92 HydrophobicContact CB-CG 4.44Å; V87-L92 HydrophobicContact CG1-CD2 3.97Å; V87-L92 HydrophobicContact CG1-CG 4.25Å; T88-L92 PolarHBondContact O-N 3.49Å; L92-Y94 PolarHBondContact O-N 2.97Å; L92-Y95 PolarHBondContact O-N 3.17Å; L92-Y96 HydrophobicContact CB-CE2 3.89Å; L92-Y96 HydrophobicContact CD2-CE2 4.03Å; L92-Y96 WeakPolarHBondContact O-CD2 3.4Å; L92-Y96 WeakPolarHBondContact O-CE2 3.34Å
93S49.8Very low60.1Low93 Ų93103.9 Ų103.965%0.6554%0.535SS*.THydrogen-bonded Turntrans-60.1-15.3-176.949.90000115.8
94Y45.2Very low61.9Low202 Ų202102.6 Ų102.679%0.79253%0.531SS*.THydrogen-bonded Turntrans-83.6-16.8-178-153.4-97.6000114.1L92L92-Y94 PolarHBondContact O-N 2.97Å
95Y52.4Low64.2Low161 Ų161101.9 Ų101.963%0.63153%0.53SS*.THydrogen-bonded Turntrans-112.7-8.8-169-89.5-75.4000115.3P80 L92P80-Y95 VanDerWaalsContact CD-O 3.29Å; P80-Y95 WeakPolarHBondContact CD-O 3.43Å; P80-Y95 HydrophobicContact CG-CD1 4.01Å; P80-Y95 HydrophobicContact CG-CG 4.31Å; P80-Y95 WeakPolarHBondContact CG-O 3.3Å; L92-Y95 PolarHBondContact O-N 3.17Å
96Y59.4Low66.3Low70 Ų70100.2 Ų100.228%0.27552%0.518SS..  trans-91.1130.7-178.7-65.2-98.2000111.4E77 G78 A79 L92E77-Y96 HydrophobicContact CB-CD1 4.5Å; E77-Y96 HydrophobicContact CG-CD1 3.53Å; E77-Y96 HydrophobicContact CG-CD2 4.49Å; E77-Y96 HydrophobicContact CG-CE1 4.49Å; E77-Y96 HydrophobicContact CG-CG 3.56Å; G78-Y96 WeakPolarHBondContact O-CD1 3.35Å; A79-Y96 HydrophobicContact CB-CD1 4.25Å; A79-Y96 HydrophobicContact CB-CE1 3.51Å; A79-Y96 VanDerWaalsContact N-CD1 3.34Å; L92-Y96 HydrophobicContact CB-CE2 3.89Å; L92-Y96 HydrophobicContact CD2-CE2 4.03Å; L92-Y96 WeakPolarHBondContact O-CD2 3.4Å; L92-Y96 WeakPolarHBondContact O-CE2 3.34Å
97Y67.6Low68.6Low135 Ų13595.5 Ų95.553%0.52949%0.489SS..EExtended strand (participates in β ladder)trans-94.7146.3167.659.9-84.5000109.7G78 D99G78-Y97 PolarHBondContact N-O 3.41Å; Y97-D99 HydrophobicContact CD2-CB 4.21Å; Y97-D99 HydrophobicContact CE2-CB 4.04Å
98M77.1Confident70.9Confident89 Ų8997.9 Ų97.944%0.43850%0.504SS..EExtended strand (participates in β ladder)trans-85.9115.3170.8-71.4-167.3179.800109.4N13 V15 W25 A75N13-M98 HydrophobicContact CB-CE 4.39Å; N13-M98 HydrophobicContact CB-SD 4.48Å; V15-M98 HydrophobicContact CG1-SD 3.86Å; W25-M98 HydrophobicContact CG-CE 4.34Å; A75-M98 HydrophobicContact CB-CB 4.24Å
99D83.6Confident73.4Confident50 Ų5094.8 Ų94.827%0.26749%0.485SS..EExtended strand (participates in β ladder)trans-99108.2174.6179.522.5000109.5A75 R76 Y97 W101A75-D99 CarbonylContact C-O 3.47Å; A75-D99 VanDerWaalsContact CA-O 3.24Å; A75-D99 WeakPolarHBondContact CA-O 3.34Å; R76-D99 HydrophobicContact CG-CB 3.84Å; R76-D99 IonicContact CZ-OD2 3.17Å; R76-D99 PolarHBondContact N-O 3.29Å; R76-D99 IonicContact NE-OD2 2.82Å; R76-D99 PolarHBondContact NE-OD2 3.15Å; R76-D99 IonicContact NH2-OD2 2.71Å; R76-D99 PolarHBondContact NH2-OD2 3.45Å; R76-D99 PolarHBondContact O-N 3.14Å; Y97-D99 HydrophobicContact CD2-CB 4.21Å; Y97-D99 HydrophobicContact CE2-CB 4.04Å; D99-W101 PolarHBondContact O-N 3.48Å
100V84Confident75.3Confident59 Ų5994.1 Ų94.136%0.35849%0.486SS..EExtended strand (participates in β ladder)trans-75108.9179.1179.50000108.7V15 Y73 A75V15-V100 HydrophobicContact CG2-CG2 4.45Å; Y73-V100 HydrophobicContact CD1-CG1 3.98Å; Y73-V100 HydrophobicContact CG-CG1 4.11Å; A75-V100 HydrophobicContact CB-CG2 4.11Å
101W80.1Confident76.6Confident64 Ų6495.3 Ų95.324%0.24251%0.507CS..  trans-101.2-14.2-174.578.576.1000113.4F5 M12 L57 C74 A75 R76 D99F5-W101 HydrophobicContact CE1-CB 4.33Å; F5-W101 HydrophobicContact CE1-CD2 4.19Å; F5-W101 AromaticContact CE1-CG 4Å; F5-W101 HydrophobicContact CE1-CG 4Å; F5-W101 AromaticContact CZ-CD2 3.95Å; F5-W101 HydrophobicContact CZ-CD2 3.95Å; F5-W101 HydrophobicContact CZ-CE3 4.08Å; F5-W101 HydrophobicContact CZ-CG 4.25Å; M12-W101 HydrophobicContact CB-CH2 4.2Å; M12-W101 HydrophobicContact CE-CD2 4.46Å; M12-W101 HydrophobicContact CE-CE3 4.03Å; M12-W101 HydrophobicContact CE-CH2 2.95Å; M12-W101 HydrophobicContact CE-CZ2 3.4Å; M12-W101 HydrophobicContact CE-CZ3 3.2Å; M12-W101 HydrophobicContact CG-CH2 4.41Å; M12-W101 HydrophobicContact SD-CH2 3.78Å; M12-W101 HydrophobicContact SD-CZ3 3.69Å; L57-W101 HydrophobicContact CD2-CH2 4.09Å; L57-W101 HydrophobicContact CD2-CZ2 4.41Å; C74-W101 HydrophobicContact CB-CD2 4.47Å; C74-W101 HydrophobicContact CB-CH2 3.67Å; C74-W101 HydrophobicContact CB-CZ2 3.29Å; C74-W101 PolarHBondContact O-N 3.07Å; C74-W101 VanDerWaalsContact O-N 3.15Å; C74-W101 VanDerWaalsContact SG-CZ2 3.54Å; C74-W101 PolarHBondContact SG-NE1 3.3Å; A75-W101 VanDerWaalsContact CA-CZ3 3.41Å; A75-W101 VanDerWaalsContact N-CZ3 3.33Å; A75-W101 WeakPolarHBondContact O-CZ3 3.4Å; R76-W101 VanDerWaalsContact CA-CZ3 3.43Å; R76-W101 HydrophobicContact CB-CE3 3.53Å; R76-W101 HydrophobicContact CB-CZ3 3.5Å; R76-W101 VanDerWaalsContact CB-CZ3 3.5Å; R76-W101 HydrophobicContact CG-CE3 3.93Å; R76-W101 HydrophobicContact CG-CZ3 4.39Å; D99-W101 PolarHBondContact O-N 3.48Å
102G78.1Confident78Confident22 Ų2293.8 Ų93.823%0.22750%0.503CS..SBendtrans-95156.3179.700000113.2G104G102-G104 PolarHBondContact O-N 3.46Å
103K87.1Confident79.6Confident210 Ų21095.8 Ų95.891%0.91351%0.514SS*.  trans-69.9-9.4172-70.4-66.2-176.4-177.70114.1
104G92.6Very high81.2Confident30 Ų3095.9 Ų95.931%0.30951%0.507SS..  trans82.1155.6-171.500000112.2Y72 G102Y72-G104 CarbonylContact O-C 3.52Å; Y72-G104 WeakPolarHBondContact O-CA 3.24Å; G102-G104 PolarHBondContact O-N 3.46Å
105T96.1Very high83.3Confident88 Ų8889.7 Ų89.754%0.5449%0.49SS..EExtended strand (participates in β ladder)trans-131.1130.6171.5-147.10000109.6V71 Y72 V107V71-T105 CarbonylContact C-O 3.58Å; V71-T105 WeakPolarHBondContact CA-O 3.44Å; Y72-T105 PolarHBondContact N-O 2.93Å; Y72-T105 PolarHBondContact O-N 3Å; T105-V107 HydrophobicContact CG2-CG2 4.25Å
106T97.4Very high85.3Confident97 Ų9785.3 Ų85.360%0.59548%0.481SS*.EExtended strand (participates in β ladder)trans-76.6128.1176.4-550000109.7
107V97.4Very high87Confident24 Ų2486.3 Ų86.315%0.14550%0.495CS..EExtended strand (participates in β ladder)trans-115.1124168.8179.10000107.2M61 T69 A70 Y72 T105 V109M61-V107 HydrophobicContact CE-CG1 4.47Å; M61-V107 HydrophobicContact CE-CG2 4.06Å; T69-V107 WeakPolarHBondContact CA-O 3.34Å; A70-V107 PolarHBondContact N-O 2.74Å; A70-V107 VanDerWaalsContact N-O 3.08Å; A70-V107 PolarHBondContact O-N 2.77Å; Y72-V107 HydrophobicContact CD2-CB 3.89Å; Y72-V107 HydrophobicContact CD2-CG2 3.63Å; Y72-V107 HydrophobicContact CE2-CB 3.79Å; Y72-V107 HydrophobicContact CE2-CG1 4.49Å; Y72-V107 HydrophobicContact CE2-CG2 3.96Å; Y72-V107 HydrophobicContact CG-CG2 4.45Å; T105-V107 HydrophobicContact CG2-CG2 4.25Å; V107-V109 HydrophobicContact CG1-CG2 4.3Å
108T96.9Very high88.4Confident106 Ų10682.8 Ų82.865%0.6549%0.492SS*.  trans-116.8129178.3-55.50000109.3T69T69-T108 HydrophobicContact CG2-CG2 4.37Å
109V95.8Very high89.2Confident31 Ų3182.3 Ų82.319%0.18850%0.497CS..  trans-124117177.4-171.20000107.8L64 R65 T69 V107L64-V109 HydrophobicContact CB-CG1 4.22Å; L64-V109 HydrophobicContact CB-CG2 4Å; L64-V109 HydrophobicContact CD1-CG2 4.19Å; L64-V109 HydrophobicContact CD2-CG2 4.16Å; L64-V109 HydrophobicContact CG-CG2 4.35Å; R65-V109 WeakPolarHBondContact O-CB 3.32Å; R65-V109 WeakPolarHBondContact O-CG1 3.46Å; T69-V109 PolarHBondContact OG1-N 3.45Å; T69-V109 PolarHBondContact OG1-O 2.96Å; V107-V109 HydrophobicContact CG1-CG2 4.3Å
110S91.8Very high89.7Confident105 Ų10585 Ų8573%0.73452%0.516SS*.  trans-115.1151.6173.857.50000110
111S79.4Confident90.2Very high184 Ų18487.4 Ų87.4100%1.28753%0.53SS*.  trans-69.90173.162.70000112.6

Retrieved 111 of 111 residues in 160.5 ms (Link to these results)

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