G4VLM3_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession G4VLM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 596 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
1M80.2Confident86.1Confident71 Ų7120.6 Ų20.635%0.3511%0.107SC..  0154.90177.2-179.4-7600107.3V16 A332 T335 F375M1-V16 HydrophobicContact CB-CB 4.39Å; M1-V16 PolarHBondContact N-O 2.85Å; M1-V16 PolarHBondContact O-N 2.98Å; M1-A332 HydrophobicContact CE-CB 3.7Å; M1-A332 HydrophobicContact SD-CB 3.32Å; M1-A332 WeakPolarHBondContact SD-CB 3.21Å; M1-T335 HydrophobicContact CE-CG2 4.19Å; M1-F375 HydrophobicContact CG-CD1 3.98Å; M1-F375 HydrophobicContact SD-CB 4.49Å; M1-F375 HydrophobicContact SD-CD1 3.48Å; M1-F375 WeakPolarHBondContact SD-CD1 3.29Å; M1-F375 HydrophobicContact SD-CE1 3.88Å; M1-F375 HydrophobicContact SD-CG 4.16Å
2Y85.1Confident86.4Confident45 Ų4519.1 Ų19.118%0.17610%0.099CC..EExtended strand (participates in β ladder)trans-114.4146.9174.5-59-77.7000111.1W14 L82 Y90 F375 S376Y2-W14 CarbonylContact C-O 3.54Å; Y2-W14 VanDerWaalsContact CA-O 3.29Å; Y2-W14 WeakPolarHBondContact CA-O 3.36Å; Y2-L82 HydrophobicContact CD1-CD1 4.37Å; Y2-L82 HydrophobicContact CG-CD1 4.23Å; Y2-Y90 WeakPolarHBondContact CE1-OH 3.45Å; Y2-F375 WeakPolarHBondContact O-CA 3.23Å; Y2-S376 WeakPolarHBondContact CB-OG 3.35Å; Y2-S376 PolarHBondContact N-OG 2.82Å; Y2-S376 PolarHBondContact O-N 2.88Å; Y2-S376 PolarHBondContact O-OG 2.97Å
3L90.6Very high86.4Confident0 Ų017.6 Ų17.60%09%0.092CC..EExtended strand (participates in β ladder)trans-117.1130169.6176.965.2000108.6F13 W14 V16 A339 I347 F349 L373 F375L3-F13 CarbonylContact O-C 3.51Å; L3-F13 VanDerWaalsContact O-CA 3.29Å; L3-F13 WeakPolarHBondContact O-CA 3.42Å; L3-W14 PolarHBondContact N-O 2.8Å; L3-W14 PolarHBondContact O-N 2.81Å; L3-V16 HydrophobicContact CB-CG2 4.1Å; L3-A339 HydrophobicContact CD2-CB 4.36Å; L3-I347 HydrophobicContact CD2-CD1 4.27Å; L3-I347 HydrophobicContact CD2-CG2 4.19Å; L3-F349 HydrophobicContact CD2-CE1 3.96Å; L3-F349 HydrophobicContact CD2-CZ 3.56Å; L3-L373 HydrophobicContact CD1-CD2 3.43Å; L3-L373 VanDerWaalsContact CD1-CD2 3.43Å; L3-L373 HydrophobicContact CD1-CG 3.85Å; L3-F375 HydrophobicContact CB-CD1 4.13Å; L3-F375 HydrophobicContact CB-CE1 4.08Å; L3-F375 HydrophobicContact CD1-CD1 3.95Å; L3-F375 HydrophobicContact CD1-CD2 4.24Å; L3-F375 HydrophobicContact CD1-CE1 4.03Å; L3-F375 HydrophobicContact CD1-CE2 4.33Å; L3-F375 HydrophobicContact CD1-CG 4.08Å; L3-F375 HydrophobicContact CD1-CZ 4.23Å; L3-F375 HydrophobicContact CG-CE1 4.48Å
4A90.9Very high86.5Confident0 Ų016.4 Ų16.40%09%0.085CC..EExtended strand (participates in β ladder)trans-105.2134.1166.800000109.5V11 S12 F13 W60 L67 S374A4-V11 HydrophobicContact CB-CG1 4.4Å; A4-S12 WeakPolarHBondContact CA-O 3.38Å; A4-F13 HydrophobicContact CB-CD1 4.03Å; A4-F13 HydrophobicContact CB-CE1 3.96Å; A4-W60 HydrophobicContact CB-CZ2 3.69Å; A4-L67 HydrophobicContact CB-CD1 4.22Å; A4-L67 HydrophobicContact CB-CD2 4.12Å; A4-S374 PolarHBondContact N-O 2.93Å; A4-S374 PolarHBondContact O-N 2.89Å
5A91.8Very high86.3Confident1 Ų116.9 Ų16.91%0.0089%0.091CC..EExtended strand (participates in β ladder)trans-128.5145171.600000110.5V11 S12 W14 I347 I370 L372A5-V11 WeakPolarHBondContact O-CA 3.41Å; A5-S12 PolarHBondContact N-O 3.48Å; A5-S12 PolarHBondContact O-N 2.83Å; A5-W14 HydrophobicContact CB-CH2 4.16Å; A5-W14 HydrophobicContact CB-CZ3 3.61Å; A5-I347 HydrophobicContact CB-CD1 3.61Å; A5-I370 HydrophobicContact CB-CD1 4.37Å; A5-I370 HydrophobicContact CB-CG2 4.03Å; A5-L372 WeakPolarHBondContact CA-O 3.2Å
6V89.3Confident86.1Confident2 Ų215.9 Ų15.91%0.0129%0.086CC..EExtended strand (participates in β ladder)trans-111.1130.1-179.3169.30000110.5S10 V11 L55 I58 C371 L372V6-S10 WeakPolarHBondContact CA-O 3.44Å; V6-V11 HydrophobicContact CG2-CG2 4.31Å; V6-L55 HydrophobicContact CG1-CB 3.89Å; V6-L55 HydrophobicContact CG1-CD1 3.92Å; V6-L55 HydrophobicContact CG1-CG 4.21Å; V6-L55 HydrophobicContact CG2-CD1 3.98Å; V6-I58 HydrophobicContact CG2-CD1 4.03Å; V6-I58 HydrophobicContact CG2-CG2 3.48Å; V6-I58 VanDerWaalsContact CG2-CG2 3.48Å; V6-C371 PolarHBondContact O-N 2.88Å; V6-C371 VanDerWaalsContact O-N 3.16Å; V6-L372 HydrophobicContact CB-CB 3.92Å; V6-L372 HydrophobicContact CB-CD1 4.45Å; V6-L372 HydrophobicContact CB-CG 4.49Å; V6-L372 HydrophobicContact CG1-CD1 4.48Å; V6-L372 HydrophobicContact CG2-CB 4.03Å; V6-L372 HydrophobicContact CG2-CD1 4.27Å; V6-L372 PolarHBondContact N-O 3.02Å
7Q85.6Confident85.6Confident9 Ų920.5 Ų20.54%0.04211%0.11CC..EExtended strand (participates in β ladder)trans-127.3104.6172-74.1-179.9-49.600109.6S9 S10 G345 S364 S366 V368 I370Q7-S9 PolarHBondContact O-N 3.05Å; Q7-S10 PolarHBondContact N-O 2.64Å; Q7-S10 PolarHBondContact O-N 3.28Å; Q7-G345 PolarHBondContact NE2-O 2.99Å; Q7-S364 PolarHBondContact NE2-OG 3.45Å; Q7-S364 PolarHBondContact OE1-OG 3.35Å; Q7-S366 PolarHBondContact NE2-O 3.47Å; Q7-S366 PolarHBondContact NE2-OG 3.36Å; Q7-S366 PolarHBondContact OE1-OG 3.06Å; Q7-V368 HydrophobicContact CB-CB 4.17Å; Q7-V368 HydrophobicContact CB-CG1 4.03Å; Q7-V368 HydrophobicContact CG-CB 4.45Å; Q7-V368 PolarHBondContact NE2-O 2.84Å; Q7-I370 HydrophobicContact CG-CD1 3.39Å
8N81.4Confident84.8Confident63 Ų6322.2 Ų22.234%0.33712%0.115SC..THydrogen-bonded Turntrans50.2-106.7-173.1-167.421.2000111.4T52 S54 L55 V368N8-T52 PolarHBondContact ND2-O 3.01Å; N8-T52 PolarHBondContact OD1-O 3.28Å; N8-S54 WeakPolarHBondContact O-CA 3.49Å; N8-S54 WeakPolarHBondContact OD1-CA 3.41Å; N8-S54 PolarHBondContact OD1-N 2.75Å; N8-L55 PolarHBondContact O-N 3.18Å; N8-V368 HydrophobicContact CB-CG1 4Å
9S80.9Confident83.6Confident13 Ų1324.7 Ų24.79%0.09113%0.128CC..THydrogen-bonded Turntrans-96.5-4.2179.366.70000115.1Q7 P47 C53Q7-S9 PolarHBondContact O-N 3.05Å; S9-P47 VanDerWaalsContact O-CD 3.23Å; S9-P47 WeakPolarHBondContact O-CD 3.35Å; S9-C53 WeakPolarHBondContact CA-O 3.31Å; S9-C53 WeakPolarHBondContact CB-O 3.31Å
10S84.8Confident82.2Confident23 Ų2330.3 Ų30.316%0.16115%0.151CC..EExtended strand (participates in β ladder)trans-98.2140.1-177.7-59.60000111.2V6 Q7 Y45 K46V6-S10 WeakPolarHBondContact CA-O 3.44Å; Q7-S10 PolarHBondContact N-O 2.64Å; Q7-S10 PolarHBondContact O-N 3.28Å; S10-Y45 WeakPolarHBondContact CA-O 3.21Å; S10-K46 VanDerWaalsContact OG-CE 3.25Å; S10-K46 WeakPolarHBondContact OG-CE 3.4Å
11V87Confident80.6Confident0 Ų035.9 Ų35.90%018%0.182CC..EExtended strand (participates in β ladder)trans-112.5124.2168.5-174.40000108.4A4 A5 V6 F13 T44 Y45 P47 L55 L67 V69A4-V11 HydrophobicContact CB-CG1 4.4Å; A5-V11 WeakPolarHBondContact O-CA 3.41Å; V6-V11 HydrophobicContact CG2-CG2 4.31Å; V11-F13 HydrophobicContact CG1-CE1 4.32Å; V11-F13 HydrophobicContact CG1-CE2 4.22Å; V11-F13 HydrophobicContact CG1-CZ 3.99Å; V11-T44 CarbonylContact O-C 3.53Å; V11-T44 WeakPolarHBondContact O-CA 3.09Å; V11-Y45 HydrophobicContact CB-CD1 3.89Å; V11-Y45 HydrophobicContact CB-CE1 3.48Å; V11-Y45 VanDerWaalsContact CB-CE1 3.48Å; V11-Y45 HydrophobicContact CG1-CD1 4.48Å; V11-Y45 HydrophobicContact CG1-CE1 3.82Å; V11-Y45 HydrophobicContact CG2-CE1 4.01Å; V11-Y45 PolarHBondContact N-O 3.24Å; V11-Y45 PolarHBondContact O-N 3.02Å; V11-P47 HydrophobicContact CG2-CG 4.38Å; V11-L55 HydrophobicContact CG2-CD1 3.28Å; V11-L67 HydrophobicContact CG1-CD2 3.67Å; V11-V69 HydrophobicContact CG2-CG2 4.33Å
12S88.7Confident78.9Confident2 Ų233.5 Ų33.51%0.01417%0.174CC..EExtended strand (participates in β ladder)trans-110.7142.5176.6-68.20000110.6A4 A5 W14 L43 T44A4-S12 WeakPolarHBondContact CA-O 3.38Å; A5-S12 PolarHBondContact N-O 3.48Å; A5-S12 PolarHBondContact O-N 2.83Å; S12-W14 VanDerWaalsContact O-CZ3 3.31Å; S12-W14 WeakPolarHBondContact O-CZ3 3.44Å; S12-L43 CarbonylContact C-O 3.56Å; S12-L43 WeakPolarHBondContact CA-O 3.5Å; S12-T44 WeakPolarHBondContact OG-CG2 3.34Å; S12-T44 PolarHBondContact OG-OG1 2.97Å
13F87.3Confident77Confident0 Ų034.7 Ų34.70%018%0.18CC..EExtended strand (participates in β ladder)trans-120138.9-178.6-63.3-79.5000111.9L3 A4 V11 P41 S42 L43 Y45 W60 L67 L82L3-F13 CarbonylContact O-C 3.51Å; L3-F13 VanDerWaalsContact O-CA 3.29Å; L3-F13 WeakPolarHBondContact O-CA 3.42Å; A4-F13 HydrophobicContact CB-CD1 4.03Å; A4-F13 HydrophobicContact CB-CE1 3.96Å; V11-F13 HydrophobicContact CG1-CE1 4.32Å; V11-F13 HydrophobicContact CG1-CE2 4.22Å; V11-F13 HydrophobicContact CG1-CZ 3.99Å; F13-P41 CarbonylContact O-C 3.59Å; F13-P41 VanDerWaalsContact O-CA 3.27Å; F13-P41 WeakPolarHBondContact O-CA 3.48Å; F13-P41 WeakPolarHBondContact O-CB 3.4Å; F13-S42 PolarHBondContact O-N 3.05Å; F13-L43 HydrophobicContact CB-CB 4.4Å; F13-L43 HydrophobicContact CD2-CB 4.02Å; F13-L43 HydrophobicContact CD2-CD2 3.79Å; F13-L43 HydrophobicContact CD2-CG 3.97Å; F13-L43 WeakPolarHBondContact CD2-O 3.38Å; F13-L43 HydrophobicContact CE2-CD2 3.97Å; F13-L43 HydrophobicContact CE2-CG 4.45Å; F13-L43 PolarHBondContact N-O 3.35Å; F13-Y45 HydrophobicContact CD2-CD1 4.33Å; F13-Y45 HydrophobicContact CD2-CE1 4.4Å; F13-Y45 AromaticContact CE2-CD1 3.5Å; F13-Y45 HydrophobicContact CE2-CD1 3.5Å; F13-Y45 VanDerWaalsContact CE2-CD1 3.5Å; F13-Y45 AromaticContact CE2-CE1 3.26Å; F13-Y45 HydrophobicContact CE2-CE1 3.26Å; F13-Y45 HydrophobicContact CZ-CD1 4.27Å; F13-Y45 AromaticContact CZ-CE1 3.57Å; F13-Y45 HydrophobicContact CZ-CE1 3.57Å; F13-W60 AromaticContact CD1-CH2 3.93Å; F13-W60 HydrophobicContact CD1-CH2 3.93Å; F13-W60 HydrophobicContact CD1-CZ2 4.24Å; F13-W60 AromaticContact CE1-CH2 3.65Å; F13-W60 HydrophobicContact CE1-CH2 3.65Å; F13-W60 HydrophobicContact CE1-CZ2 4.07Å; F13-W60 HydrophobicContact CE1-CZ3 4.49Å; F13-L67 HydrophobicContact CE1-CB 4.31Å; F13-L67 HydrophobicContact CE1-CD2 3.67Å; F13-L67 HydrophobicContact CZ-CB 4.31Å; F13-L67 HydrophobicContact CZ-CD2 3.62Å; F13-L82 HydrophobicContact CD1-CD1 3.85Å; F13-L82 HydrophobicContact CD1-CD2 4.45Å; F13-L82 HydrophobicContact CD2-CD2 4.28Å; F13-L82 HydrophobicContact CE1-CD1 3.93Å; F13-L82 HydrophobicContact CE1-CD2 4.33Å; F13-L82 HydrophobicContact CE1-CG 4.42Å; F13-L82 HydrophobicContact CE2-CD2 4.11Å; F13-L82 HydrophobicContact CG-CD1 4.4Å; F13-L82 HydrophobicContact CG-CD2 4.41Å; F13-L82 HydrophobicContact CZ-CD2 4.15Å
14W87Confident74.4Confident0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-124.3135.8169.7-65.9-99.8000110.3Y2 L3 A5 S12 I37 P41 I347 I362Y2-W14 CarbonylContact C-O 3.54Å; Y2-W14 VanDerWaalsContact CA-O 3.29Å; Y2-W14 WeakPolarHBondContact CA-O 3.36Å; L3-W14 PolarHBondContact N-O 2.8Å; L3-W14 PolarHBondContact O-N 2.81Å; A5-W14 HydrophobicContact CB-CH2 4.16Å; A5-W14 HydrophobicContact CB-CZ3 3.61Å; S12-W14 VanDerWaalsContact O-CZ3 3.31Å; S12-W14 WeakPolarHBondContact O-CZ3 3.44Å; W14-I37 HydrophobicContact CB-CG2 4.21Å; W14-I37 HydrophobicContact CG-CG2 4.36Å; W14-P41 HydrophobicContact CD2-CB 4.21Å; W14-P41 HydrophobicContact CH2-CB 4.35Å; W14-P41 HydrophobicContact CZ2-CB 3.84Å; W14-P41 HydrophobicContact CZ2-CG 4.27Å; W14-I347 HydrophobicContact CE3-CD1 4.36Å; W14-I347 HydrophobicContact CH2-CD1 3.71Å; W14-I347 HydrophobicContact CZ2-CD1 4.27Å; W14-I347 HydrophobicContact CZ3-CD1 3.79Å; W14-I362 HydrophobicContact CD2-CD1 3.91Å; W14-I362 HydrophobicContact CG-CD1 3.93Å; W14-I362 HydrophobicContact CZ2-CD1 4.22Å
15S83.5Confident71.9Confident25 Ų2543.4 Ų43.418%0.17524%0.242CC..EExtended strand (participates in β ladder)trans-79.1115.1160.8-179.90000108.7P38 S42S15-P38 WeakPolarHBondContact O-CD 3.45Å; S15-S42 PolarHBondContact N-OG 2.9Å
16V82.8Confident69.3Low1 Ų148.5 Ų48.51%0.00628%0.278CS..  trans-97.9109.8174.9-178.60000107.9M1 L3 L35 I37 F375M1-V16 HydrophobicContact CB-CB 4.39Å; M1-V16 PolarHBondContact N-O 2.85Å; M1-V16 PolarHBondContact O-N 2.98Å; L3-V16 HydrophobicContact CB-CG2 4.1Å; V16-L35 HydrophobicContact CG1-CD1 3.63Å; V16-I37 HydrophobicContact CB-CG1 4.41Å; V16-I37 HydrophobicContact CG1-CD1 4.06Å; V16-I37 HydrophobicContact CG1-CG1 4.02Å; V16-I37 HydrophobicContact CG2-CD1 4.13Å; V16-I37 HydrophobicContact CG2-CG1 4.18Å; V16-F375 HydrophobicContact CG2-CE1 4.29Å
17L78.8Confident66.8Low94 Ų9453 Ų5349%0.49230%0.301SS..BIsolated β-bridgetrans-92.7131.3173.3-67.3173.6000109E36L17-E36 HydrophobicContact CB-CB 3.98Å; L17-E36 HydrophobicContact CD1-CB 4.47Å; L17-E36 PolarHBondContact N-O 3.45Å; L17-E36 PolarHBondContact O-N 2.78Å; L17-E36 VanDerWaalsContact O-N 3.16Å
18Y71.4Confident64.4Low51 Ų5156.6 Ų56.620%0.233%0.327CS..  trans-147.9126-176.6174.1-103.4000109.2K20 F23 T335 I337Y18-K20 HydrophobicContact CD1-CG 4.27Å; Y18-K20 HydrophobicContact CE1-CG 4.24Å; Y18-F23 HydrophobicContact CD2-CE2 4.46Å; Y18-F23 HydrophobicContact CE1-CD2 4.44Å; Y18-F23 HydrophobicContact CE1-CE2 4.28Å; Y18-F23 HydrophobicContact CE2-CD2 4.23Å; Y18-F23 AromaticContact CE2-CE2 3.33Å; Y18-F23 HydrophobicContact CE2-CE2 3.33Å; Y18-F23 AromaticContact CE2-CZ 3.76Å; Y18-F23 HydrophobicContact CE2-CZ 3.76Å; Y18-F23 AromaticContact CZ-CD2 3.67Å; Y18-F23 AromaticContact CZ-CE2 3.23Å; Y18-F23 AromaticContact CZ-CZ 3.9Å; Y18-F23 WeakPolarHBondContact OH-CD2 3.39Å; Y18-F23 WeakPolarHBondContact OH-CE2 3.48Å; Y18-F23 WeakPolarHBondContact OH-CZ 3.45Å; Y18-T335 HydrophobicContact CD1-CG2 3.82Å; Y18-T335 HydrophobicContact CE1-CG2 3.7Å; Y18-I337 HydrophobicContact CD2-CD1 3.43Å; Y18-I337 VanDerWaalsContact CD2-CD1 3.43Å; Y18-I337 HydrophobicContact CD2-CG1 4.46Å; Y18-I337 HydrophobicContact CE2-CD1 3.75Å; Y18-I337 HydrophobicContact CE2-CG1 4.33Å; Y18-I337 HydrophobicContact CG-CD1 3.85Å
19D62.2Low62.6Low70 Ų7058.3 Ų58.337%0.37434%0.336SS..  trans-83.5114.2174.9-169.8-0.3000110.7N21 N34D19-N21 VanDerWaalsContact C-N 3.3Å; D19-N21 WeakPolarHBondContact OD1-CB 3.48Å; D19-N21 PolarHBondContact OD1-N 3.13Å; D19-N34 HydrophobicContact CB-CB 4.38Å
20K55.8Low60.7Low135 Ų13562.9 Ų62.959%0.58736%0.364SS*.G310 helixtrans-69.4-28.2175.5-75.1-171.9175.2-172.80112.5Y18 A22Y18-K20 HydrophobicContact CD1-CG 4.27Å; Y18-K20 HydrophobicContact CE1-CG 4.24Å; K20-A22 VanDerWaalsContact C-N 3.26Å; K20-A22 PolarHBondContact O-N 3.09Å
21N47.4Very low58.5Low149 Ų14966 Ų6680%0.79738%0.378SS*.G310 helixtrans-79-9.3-172.7-68.2-19000113.3D19 F23D19-N21 VanDerWaalsContact C-N 3.3Å; D19-N21 WeakPolarHBondContact OD1-CB 3.48Å; D19-N21 PolarHBondContact OD1-N 3.13Å; N21-F23 PolarHBondContact O-N 2.74Å
22A45.3Very low56.8Low21 Ų2167.6 Ų67.617%0.17439%0.387CS..G310 helixtrans-72.1-12.4175.700000113.2K20K20-A22 VanDerWaalsContact C-N 3.26Å; K20-A22 PolarHBondContact O-N 3.09Å
23F44.5Very low54.8Low70 Ų7078 Ų7831%0.30743%0.426SS..  trans-112.572.8-173-60.5-89.6000111.7Y18 N21 I32Y18-F23 HydrophobicContact CD2-CE2 4.46Å; Y18-F23 HydrophobicContact CE1-CD2 4.44Å; Y18-F23 HydrophobicContact CE1-CE2 4.28Å; Y18-F23 HydrophobicContact CE2-CD2 4.23Å; Y18-F23 AromaticContact CE2-CE2 3.33Å; Y18-F23 HydrophobicContact CE2-CE2 3.33Å; Y18-F23 AromaticContact CE2-CZ 3.76Å; Y18-F23 HydrophobicContact CE2-CZ 3.76Å; Y18-F23 AromaticContact CZ-CD2 3.67Å; Y18-F23 AromaticContact CZ-CE2 3.23Å; Y18-F23 AromaticContact CZ-CZ 3.9Å; Y18-F23 WeakPolarHBondContact OH-CD2 3.39Å; Y18-F23 WeakPolarHBondContact OH-CE2 3.48Å; Y18-F23 WeakPolarHBondContact OH-CZ 3.45Å; N21-F23 PolarHBondContact O-N 2.74Å; F23-I32 HydrophobicContact CE1-CD1 3.74Å; F23-I32 HydrophobicContact CE1-CG1 3.78Å; F23-I32 HydrophobicContact CZ-CB 4.41Å; F23-I32 HydrophobicContact CZ-CD1 3.75Å; F23-I32 HydrophobicContact CZ-CG1 3.65Å; F23-I32 HydrophobicContact CZ-CG2 4.22Å
24G35.7Very low53.6Low31 Ų3181.6 Ų81.632%0.3245%0.445SS..  trans-72.7151.4153.700000109.4S26 L27G24-S26 PolarHBondContact O-N 3.16Å; G24-L27 PolarHBondContact O-N 3.05Å; G24-L27 VanDerWaalsContact O-N 3.14Å
25P38.6Very low52.9Low151 Ų15182.3 Ų82.398%0.98145%0.449SS*.THydrogen-bonded Turntrans-59.9-4.3175.624.2-32.8000113.9
26S37.8Very low52.6Low109 Ų10987 Ų8776%0.76247%0.468SS*.THydrogen-bonded Turntrans-113.28.3-179.863.70000115.2G24G24-S26 PolarHBondContact O-N 3.16Å
27L35.7Very low52.6Low96 Ų9687.2 Ų87.250%0.50347%0.469SS..SBendtrans-91.1120.9169.6-95.493.3000110.9G24G24-L27 PolarHBondContact O-N 3.05Å; G24-L27 VanDerWaalsContact O-N 3.14Å
28S37Very low52.7Low84 Ų8485.5 Ų85.559%0.58746%0.464SS*.  trans-53.9141.6174.543.80000112.5T30S28-T30 PolarHBondContact O-N 3.04Å
29N42.9Very low53.2Low99 Ų9988.3 Ų88.353%0.52948%0.482SS..THydrogen-bonded Turntrans-50.12-174.2-88.5-15.5000118.5
30T40.6Very low54.1Low109 Ų10988.8 Ų88.867%0.66949%0.491SS*.THydrogen-bonded Turntrans-97.5-11.9-172.149.10000115.4S28S28-T30 PolarHBondContact O-N 3.04Å
31D39.6Very low55.3Low88 Ų8883.6 Ų83.647%0.47147%0.471SS..  trans-108.343.4-170.3-69.8-30.3000115.1R33D31-R33 PolarHBondContact O-N 2.78Å; D31-R33 VanDerWaalsContact O-N 3.13Å
32I49.7Very low56.8Low35 Ų3578.5 Ų78.518%0.17945%0.447CS..  trans-83.752.3159.1-43.3-167.7000109.5F23 N34 L35 N351 I359F23-I32 HydrophobicContact CE1-CD1 3.74Å; F23-I32 HydrophobicContact CE1-CG1 3.78Å; F23-I32 HydrophobicContact CZ-CB 4.41Å; F23-I32 HydrophobicContact CZ-CD1 3.75Å; F23-I32 HydrophobicContact CZ-CG1 3.65Å; F23-I32 HydrophobicContact CZ-CG2 4.22Å; I32-N34 PolarHBondContact O-N 3.34Å; I32-L35 HydrophobicContact CG2-CB 4.37Å; I32-N351 HydrophobicContact CD1-CB 3.86Å; I32-N351 VanDerWaalsContact CD1-CG 3.41Å; I32-N351 WeakPolarHBondContact CD1-ND2 3.31Å; I32-I359 HydrophobicContact CG2-CD1 4.28Å
33R48.1Very low58.5Low219 Ų21978.2 Ų78.283%0.82644%0.443SS*.THydrogen-bonded Turntrans-77.4-4.8170.8-78.9-168.6178.3-170.11.2113.4D31D31-R33 PolarHBondContact O-N 2.78Å; D31-R33 VanDerWaalsContact O-N 3.13Å
34N61.8Low60.2Low77 Ų7778.1 Ų78.141%0.41245%0.447SS..THydrogen-bonded Turntrans-108.720.1-170.6-62-5.4000114.2D19 I32 E36D19-N34 HydrophobicContact CB-CB 4.38Å; I32-N34 PolarHBondContact O-N 3.34Å; N34-E36 PolarHBondContact O-N 3.39Å
35L71.1Confident62.4Low15 Ų1577.3 Ų77.38%0.07944%0.435CS..  trans-81.992.9166.1-175.262.4000109V16 I32 I37 I337 F349 I359 R360V16-L35 HydrophobicContact CG1-CD1 3.63Å; I32-L35 HydrophobicContact CG2-CB 4.37Å; L35-I37 HydrophobicContact CD1-CD1 3.99Å; L35-I37 HydrophobicContact CD1-CG1 4.07Å; L35-I37 HydrophobicContact CD2-CD1 3.88Å; L35-I37 HydrophobicContact CG-CD1 3.84Å; L35-I37 HydrophobicContact CG-CG1 3.98Å; L35-I337 HydrophobicContact CD1-CD1 3.68Å; L35-F349 HydrophobicContact CD2-CB 4.12Å; L35-F349 HydrophobicContact CD2-CG 4.34Å; L35-I359 HydrophobicContact CD2-CD1 3.61Å; L35-I359 HydrophobicContact CD2-CG1 4.2Å; L35-R360 HydrophobicContact CD2-CB 4.41Å
36E78.8Confident64.3Low123 Ų12375.6 Ų75.658%0.57541%0.412SS*.BIsolated β-bridgetrans-91.7108.5176.5-74.4179.2-171.300109.7L17 N34L17-E36 HydrophobicContact CB-CB 3.98Å; L17-E36 HydrophobicContact CD1-CB 4.47Å; L17-E36 PolarHBondContact N-O 3.45Å; L17-E36 PolarHBondContact O-N 2.78Å; L17-E36 VanDerWaalsContact O-N 3.16Å; N34-E36 PolarHBondContact O-N 3.39Å
37I81.4Confident65.7Low6 Ų671 Ų713%0.03138%0.38CS..  trans-125.9125.3172.2-53.5175.8000107.2W14 V16 L35 F349 R360 I362W14-I37 HydrophobicContact CB-CG2 4.21Å; W14-I37 HydrophobicContact CG-CG2 4.36Å; V16-I37 HydrophobicContact CB-CG1 4.41Å; V16-I37 HydrophobicContact CG1-CD1 4.06Å; V16-I37 HydrophobicContact CG1-CG1 4.02Å; V16-I37 HydrophobicContact CG2-CD1 4.13Å; V16-I37 HydrophobicContact CG2-CG1 4.18Å; L35-I37 HydrophobicContact CD1-CD1 3.99Å; L35-I37 HydrophobicContact CD1-CG1 4.07Å; L35-I37 HydrophobicContact CD2-CD1 3.88Å; L35-I37 HydrophobicContact CG-CD1 3.84Å; L35-I37 HydrophobicContact CG-CG1 3.98Å; I37-F349 HydrophobicContact CD1-CD1 3.84Å; I37-F349 HydrophobicContact CD1-CD2 3.8Å; I37-F349 HydrophobicContact CD1-CE1 3.57Å; I37-F349 HydrophobicContact CD1-CE2 3.54Å; I37-F349 HydrophobicContact CD1-CG 3.95Å; I37-F349 HydrophobicContact CD1-CZ 3.42Å; I37-F349 VanDerWaalsContact CD1-CZ 3.42Å; I37-R360 PolarHBondContact O-NH1 3.03Å; I37-R360 PolarHBondContact O-NH2 3.17Å; I37-I362 HydrophobicContact CB-CG2 4.47Å; I37-I362 HydrophobicContact CG2-CD1 4.04Å; I37-I362 HydrophobicContact CG2-CG2 4.02Å
38P81.1Confident67.2Low58 Ų5868.8 Ų68.838%0.37737%0.367SS..  trans-60.1141.8171.8-22.133.4000111.1S15 S40S15-P38 WeakPolarHBondContact O-CD 3.45Å; P38-S40 VanDerWaalsContact C-N 3.26Å; P38-S40 PolarHBondContact O-N 3.26Å
39D81.9Confident67.9Low110 Ų11073 Ų7359%0.58838%0.379SS*.SBendtrans-64.9-33.9178.8-67.9-38000112R360 S363D39-R360 IonicContact OD1-CZ 2.7Å; D39-R360 IonicContact OD1-NE 3.88Å; D39-R360 IonicContact OD1-NH2 2.69Å; D39-R360 PolarHBondContact OD1-NH2 3.25Å; D39-S363 VanDerWaalsContact O-O 3.07Å
40S81.9Confident68.3Low80 Ų8074.5 Ų74.556%0.55939%0.392SS*.SBendtrans-96.3147.9174.756.80000111.8P38 S42P38-S40 VanDerWaalsContact C-N 3.26Å; P38-S40 PolarHBondContact O-N 3.26Å; S40-S42 PolarHBondContact O-N 2.97Å
41P81.4Confident68.7Low26 Ų2671.9 Ų71.917%0.16938%0.376CS..  trans-60.6137.9172.624.7-32.1000110.3F13 W14 L43 T44F13-P41 CarbonylContact O-C 3.59Å; F13-P41 VanDerWaalsContact O-CA 3.27Å; F13-P41 WeakPolarHBondContact O-CA 3.48Å; F13-P41 WeakPolarHBondContact O-CB 3.4Å; W14-P41 HydrophobicContact CD2-CB 4.21Å; W14-P41 HydrophobicContact CH2-CB 4.35Å; W14-P41 HydrophobicContact CZ2-CB 3.84Å; W14-P41 HydrophobicContact CZ2-CG 4.27Å; P41-L43 PolarHBondContact O-N 3.4Å; P41-T44 WeakPolarHBondContact CG-OG1 3.26Å
42S78.8Confident69.3Low41 Ų4173.4 Ų73.429%0.28739%0.389SS..SBendtrans-60.3-29.6173-52.20000111.8F13 S15 S40F13-S42 PolarHBondContact O-N 3.05Å; S15-S42 PolarHBondContact N-OG 2.9Å; S40-S42 PolarHBondContact O-N 2.97Å
43L80.3Confident69.5Low16 Ų1673.8 Ų73.88%0.08439%0.394CS..EExtended strand (participates in β ladder)trans-158.3134.7179.3173.367.4000109.5S12 F13 P41 L82 Y90S12-L43 CarbonylContact C-O 3.56Å; S12-L43 WeakPolarHBondContact CA-O 3.5Å; F13-L43 HydrophobicContact CB-CB 4.4Å; F13-L43 HydrophobicContact CD2-CB 4.02Å; F13-L43 HydrophobicContact CD2-CD2 3.79Å; F13-L43 HydrophobicContact CD2-CG 3.97Å; F13-L43 WeakPolarHBondContact CD2-O 3.38Å; F13-L43 HydrophobicContact CE2-CD2 3.97Å; F13-L43 HydrophobicContact CE2-CG 4.45Å; F13-L43 PolarHBondContact N-O 3.35Å; P41-L43 PolarHBondContact O-N 3.4Å; L43-L82 HydrophobicContact CD2-CD2 4.02Å; L43-Y90 HydrophobicContact CB-CD1 4.31Å; L43-Y90 HydrophobicContact CD2-CD1 4.17Å
44T81.1Confident70.2Confident67 Ų6765.9 Ų65.941%0.41137%0.372SS..EExtended strand (participates in β ladder)trans-124.3135.8168.7-63.70000108.9V11 S12 P41V11-T44 CarbonylContact O-C 3.53Å; V11-T44 WeakPolarHBondContact O-CA 3.09Å; S12-T44 WeakPolarHBondContact OG-CG2 3.34Å; S12-T44 PolarHBondContact OG-OG1 2.97Å; P41-T44 WeakPolarHBondContact CG-OG1 3.26Å
45Y80.9Confident70.7Confident14 Ų1463 Ų636%0.05536%0.356CS..EExtended strand (participates in β ladder)trans-144.9158.3176.481.7-76.9000113.5S10 V11 F13 P47 R80 I97S10-Y45 WeakPolarHBondContact CA-O 3.21Å; V11-Y45 HydrophobicContact CB-CD1 3.89Å; V11-Y45 HydrophobicContact CB-CE1 3.48Å; V11-Y45 VanDerWaalsContact CB-CE1 3.48Å; V11-Y45 HydrophobicContact CG1-CD1 4.48Å; V11-Y45 HydrophobicContact CG1-CE1 3.82Å; V11-Y45 HydrophobicContact CG2-CE1 4.01Å; V11-Y45 PolarHBondContact N-O 3.24Å; V11-Y45 PolarHBondContact O-N 3.02Å; F13-Y45 HydrophobicContact CD2-CD1 4.33Å; F13-Y45 HydrophobicContact CD2-CE1 4.4Å; F13-Y45 AromaticContact CE2-CD1 3.5Å; F13-Y45 HydrophobicContact CE2-CD1 3.5Å; F13-Y45 VanDerWaalsContact CE2-CD1 3.5Å; F13-Y45 AromaticContact CE2-CE1 3.26Å; F13-Y45 HydrophobicContact CE2-CE1 3.26Å; F13-Y45 HydrophobicContact CZ-CD1 4.27Å; F13-Y45 AromaticContact CZ-CE1 3.57Å; F13-Y45 HydrophobicContact CZ-CE1 3.57Å; Y45-P47 HydrophobicContact CD2-CG 4.3Å; Y45-P47 HydrophobicContact CE2-CB 4.25Å; Y45-P47 HydrophobicContact CE2-CG 3.7Å; Y45-R80 VanDerWaalsContact CD1-NH1 3.34Å; Y45-I97 HydrophobicContact CD2-CD1 3.83Å; Y45-I97 HydrophobicContact CE2-CD1 4.02Å
46K77.9Confident71Confident115 Ų11566.7 Ų66.750%0.537%0.37SS..  trans-110.9118172.9-66.6-178.5177.41790108.5S10 Q48S10-K46 VanDerWaalsContact OG-CE 3.25Å; S10-K46 WeakPolarHBondContact OG-CE 3.4Å; K46-Q48 PolarHBondContact O-N 3.26Å
47P68.6Low71.1Confident14 Ų1461.7 Ų61.79%0.09135%0.348CS..SBendtrans-59.7-30178.3-23.332.9000113.3S9 V11 Y45 L55 V69 F78S9-P47 VanDerWaalsContact O-CD 3.23Å; S9-P47 WeakPolarHBondContact O-CD 3.35Å; V11-P47 HydrophobicContact CG2-CG 4.38Å; Y45-P47 HydrophobicContact CD2-CG 4.3Å; Y45-P47 HydrophobicContact CE2-CB 4.25Å; Y45-P47 HydrophobicContact CE2-CG 3.7Å; P47-L55 HydrophobicContact CG-CD1 4.31Å; P47-L55 HydrophobicContact CG-CD2 4.03Å; P47-V69 HydrophobicContact CG-CG1 4.1Å; P47-F78 HydrophobicContact CB-CB 4.21Å; P47-F78 HydrophobicContact CB-CD1 4.14Å; P47-F78 HydrophobicContact CB-CD2 3.83Å; P47-F78 HydrophobicContact CB-CE2 4.26Å; P47-F78 HydrophobicContact CB-CG 3.79Å; P47-F78 WeakPolarHBondContact O-CE1 3.5Å
48Q66.5Low71.4Confident49 Ų4962 Ų6223%0.22935%0.35CS..  trans-122.7129.2170.9-76.8177.5-14.200110.1K46 T50 D71 F78K46-Q48 PolarHBondContact O-N 3.26Å; Q48-T50 VanDerWaalsContact C-N 3.31Å; Q48-D71 PolarHBondContact NE2-OD2 3.03Å; Q48-D71 PolarHBondContact OE1-OD2 2.87Å; Q48-F78 HydrophobicContact CG-CE1 4.48Å; Q48-F78 HydrophobicContact CG-CE2 4.29Å; Q48-F78 HydrophobicContact CG-CZ 3.73Å
49M52.1Low71.5Confident172 Ų17261.4 Ų61.485%0.84734%0.342SS*.SBendtrans-74.2-22.8176.8-66.3-170.574.900112.9
50T50.4Low71.4Confident130 Ų13056.2 Ų56.280%0.79831%0.314SS*.SBendtrans-103.5-7.8-164.247.70000115.3Q48Q48-T50 VanDerWaalsContact C-N 3.31Å
51V50Low71Confident55 Ų5553.1 Ų53.133%0.33329%0.291SS..  trans-129.9131.6-174.4-158.30000111.6C53V51-C53 HydrophobicContact CB-CB 4.16Å; V51-C53 HydrophobicContact CG1-CB 3.5Å; V51-C53 VanDerWaalsContact CG1-CB 3.5Å; V51-C53 WeakPolarHBondContact CG1-SG 3.21Å; V51-C53 PolarHBondContact O-N 3.45Å; V51-C53 VanDerWaalsContact O-N 3.11Å
52T50.8Low70.1Confident120 Ų12052 Ų5274%0.73628%0.284SS*.  trans-78.825.4175.1480000113.2N8N8-T52 PolarHBondContact ND2-O 3.01Å; N8-T52 PolarHBondContact OD1-O 3.28Å
53C55Low69.5Low43 Ų4355.4 Ų55.429%0.29129%0.29SS..PPolyproline II helixtrans-88.5139.6-166.9-98.70000113S9 V51 H72S9-C53 WeakPolarHBondContact CA-O 3.31Å; S9-C53 WeakPolarHBondContact CB-O 3.31Å; V51-C53 HydrophobicContact CB-CB 4.16Å; V51-C53 HydrophobicContact CG1-CB 3.5Å; V51-C53 VanDerWaalsContact CG1-CB 3.5Å; V51-C53 WeakPolarHBondContact CG1-SG 3.21Å; V51-C53 PolarHBondContact O-N 3.45Å; V51-C53 VanDerWaalsContact O-N 3.11Å; C53-H72 HydrophobicContact CB-CB 3.42Å; C53-H72 VanDerWaalsContact CB-CB 3.42Å
54S62.2Low68.7Low52 Ų5256.1 Ų56.136%0.36430%0.297SS..PPolyproline II helixtrans-70.1135.3-177.955.70000113.3N8 H72N8-S54 WeakPolarHBondContact O-CA 3.49Å; N8-S54 WeakPolarHBondContact OD1-CA 3.41Å; N8-S54 PolarHBondContact OD1-N 2.75Å; S54-H72 VanDerWaalsContact O-CA 3.3Å; S54-H72 WeakPolarHBondContact O-CA 3.28Å; S54-H72 WeakPolarHBondContact O-CB 3.44Å; S54-H72 PolarHBondContact O-N 3.36Å; S54-H72 PolarHBondContact O-ND1 3.06Å; S54-H72 PolarHBondContact OG-ND1 2.84Å
55L73.3Confident67.9Low16 Ų1654.1 Ų54.18%0.08429%0.285CS..PPolyproline II helixtrans-69.5138.4176.3-56.9173.4000110.9V6 N8 V11 P47 V69V6-L55 HydrophobicContact CG1-CB 3.89Å; V6-L55 HydrophobicContact CG1-CD1 3.92Å; V6-L55 HydrophobicContact CG1-CG 4.21Å; V6-L55 HydrophobicContact CG2-CD1 3.98Å; N8-L55 PolarHBondContact O-N 3.18Å; V11-L55 HydrophobicContact CG2-CD1 3.28Å; P47-L55 HydrophobicContact CG-CD1 4.31Å; P47-L55 HydrophobicContact CG-CD2 4.03Å; L55-V69 HydrophobicContact CB-CG1 4.23Å; L55-V69 HydrophobicContact CD1-CG1 3.62Å; L55-V69 HydrophobicContact CD2-CG1 3.67Å; L55-V69 HydrophobicContact CG-CG1 4.03Å
56R76.1Confident67.6Low94 Ų9456.5 Ų56.536%0.35530%0.296SS..  trans-86-38.9-175.4-74.6-179.4176.6-167.5-0.1113.7I70 H72 A109R56-I70 HydrophobicContact CB-CB 4.37Å; R56-I70 PolarHBondContact N-O 2.92Å; R56-H72 PolarHBondContact NE-O 3.44Å; R56-H72 PolarHBondContact NH2-O 3.35Å; R56-A109 PolarHBondContact NH1-O 3.48Å
57S80.8Confident67.7Low18 Ų1851 Ų5113%0.12627%0.272CS..EExtended strand (participates in β ladder)trans-154.7143.9-172.7-1730000110.1I70 I112S57-I70 PolarHBondContact O-N 3.45Å; S57-I112 WeakPolarHBondContact OG-CG1 3.38Å
58I87.5Confident68.3Low13 Ų1350.4 Ų50.47%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-128.6140.9171.463.2175.5000109.5V6 L67 A68 V69 L372V6-I58 HydrophobicContact CG2-CD1 4.03Å; V6-I58 HydrophobicContact CG2-CG2 3.48Å; V6-I58 VanDerWaalsContact CG2-CG2 3.48Å; I58-L67 HydrophobicContact CB-CD1 4.48Å; I58-A68 WeakPolarHBondContact CA-O 3.37Å; I58-V69 HydrophobicContact CG2-CG1 4.34Å; I58-V69 HydrophobicContact CG2-CG2 4.13Å; I58-L372 HydrophobicContact CD1-CB 3.76Å; I58-L372 HydrophobicContact CG1-CB 4.04Å; I58-L372 HydrophobicContact CG1-CD1 4.35Å; I58-L372 HydrophobicContact CG2-CD1 4.19Å
59Q84.5Confident69.1Low45 Ų4548 Ų4821%0.2126%0.257CS..EExtended strand (participates in β ladder)trans-152.6135.8174.1-170.869.812.300111A68 I112 F114Q59-A68 PolarHBondContact N-O 2.91Å; Q59-A68 PolarHBondContact O-N 3.47Å; Q59-I112 HydrophobicContact CB-CD1 4.01Å; Q59-I112 HydrophobicContact CB-CG1 4.18Å; Q59-F114 HydrophobicContact CB-CD2 4.29Å; Q59-F114 HydrophobicContact CG-CD2 3.78Å
60W79.4Confident70.4Confident1 Ų139.9 Ų39.90%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-78.6137.2171.1-66.797.8000111.9A4 F13 P62 L67 L82 F114 S374 F375A4-W60 HydrophobicContact CB-CZ2 3.69Å; F13-W60 AromaticContact CD1-CH2 3.93Å; F13-W60 HydrophobicContact CD1-CH2 3.93Å; F13-W60 HydrophobicContact CD1-CZ2 4.24Å; F13-W60 AromaticContact CE1-CH2 3.65Å; F13-W60 HydrophobicContact CE1-CH2 3.65Å; F13-W60 HydrophobicContact CE1-CZ2 4.07Å; F13-W60 HydrophobicContact CE1-CZ3 4.49Å; W60-P62 WeakPolarHBondContact O-CD 3.49Å; W60-L67 HydrophobicContact CD2-CD1 3.77Å; W60-L67 HydrophobicContact CE3-CB 4.2Å; W60-L67 HydrophobicContact CE3-CD1 4.2Å; W60-L67 HydrophobicContact CG-CD1 4.11Å; W60-L67 HydrophobicContact CZ2-CD1 4.19Å; W60-L67 HydrophobicContact CZ3-CB 4.15Å; W60-L82 HydrophobicContact CH2-CD1 3.43Å; W60-L82 VanDerWaalsContact CH2-CD1 3.43Å; W60-L82 HydrophobicContact CH2-CG 4.43Å; W60-L82 HydrophobicContact CZ3-CD1 3.7Å; W60-L82 HydrophobicContact CZ3-CG 4.35Å; W60-F114 VanDerWaalsContact O-CD2 3.31Å; W60-F114 WeakPolarHBondContact O-CD2 3.35Å; W60-S374 VanDerWaalsContact CD1-OG 3.22Å; W60-S374 PolarHBondContact NE1-O 2.78Å; W60-F375 VanDerWaalsContact CD1-O 3.25Å
61D72.8Confident71.7Confident14 Ų1433.8 Ų33.88%0.07518%0.18CC..  trans-72.9116.5159.2176.6-2.3000108.6R63 S64 C65 K66 F114D61-R63 PolarHBondContact O-N 3.15Å; D61-R63 VanDerWaalsContact O-N 3.17Å; D61-R63 PolarHBondContact OD1-N 3.23Å; D61-S64 WeakPolarHBondContact OD2-CB 3.48Å; D61-S64 PolarHBondContact OD2-N 3.12Å; D61-S64 PolarHBondContact OD2-OG 3.19Å; D61-C65 WeakPolarHBondContact O-CA 3.46Å; D61-C65 PolarHBondContact O-N 3.34Å; D61-C65 VanDerWaalsContact O-N 3.13Å; D61-K66 HydrophobicContact CB-CB 4.12Å; D61-K66 WeakPolarHBondContact CB-O 3.34Å; D61-K66 PolarHBondContact N-O 3.44Å; D61-F114 HydrophobicContact CB-CD1 4.38Å; D61-F114 HydrophobicContact CB-CD2 4.32Å; D61-F114 HydrophobicContact CB-CE1 4Å; D61-F114 HydrophobicContact CB-CE2 3.92Å; D61-F114 HydrophobicContact CB-CZ 3.72Å
62P63.8Low72.6Confident2 Ų234.9 Ų34.91%0.01318%0.181CC..THydrogen-bonded Turntrans-65.8-17.2-177.225.8-34.2000114.7W60 P115 F377W60-P62 WeakPolarHBondContact O-CD 3.49Å; P62-P115 VanDerWaalsContact CG-O 3.29Å; P62-P115 WeakPolarHBondContact CG-O 3.43Å; P62-F377 HydrophobicContact CB-CD2 4.15Å; P62-F377 HydrophobicContact CB-CE2 3.48Å; P62-F377 VanDerWaalsContact CB-CE2 3.48Å; P62-F377 HydrophobicContact CB-CZ 3.76Å; P62-F377 HydrophobicContact CG-CE2 4.4Å; P62-F377 HydrophobicContact CG-CZ 4.35Å
63R65.1Low73.6Confident113 Ų11331.6 Ų31.643%0.42616%0.162SC..THydrogen-bonded Turntrans-96.3-45.8-177.7-73.5-169.6168.1175.22.2113.5D61 R117 S118 R120D61-R63 PolarHBondContact O-N 3.15Å; D61-R63 VanDerWaalsContact O-N 3.17Å; D61-R63 PolarHBondContact OD1-N 3.23Å; R63-R117 PolarHBondContact NH2-O 3.35Å; R63-S118 WeakPolarHBondContact CD-O 3.23Å; R63-S118 PolarHBondContact NE-O 3.03Å; R63-S118 PolarHBondContact NH1-O 3.28Å; R63-S118 PolarHBondContact NH2-O 3Å; R63-S118 VanDerWaalsContact NH2-O 3.09Å; R63-R120 VanDerWaalsContact NH1-CG 3.29Å
64S63.6Low74.5Confident32 Ų3229.5 Ų29.522%0.22415%0.149CC..THydrogen-bonded Turntrans-102.5-1-172.173.90000114.1D61 K66D61-S64 WeakPolarHBondContact OD2-CB 3.48Å; D61-S64 PolarHBondContact OD2-N 3.12Å; D61-S64 PolarHBondContact OD2-OG 3.19Å; S64-K66 PolarHBondContact O-N 3.43Å; S64-K66 WeakPolarHBondContact OG-CB 3.49Å; S64-K66 WeakPolarHBondContact OG-CD 3.45Å; S64-K66 WeakPolarHBondContact OG-CG 3.49Å
65C64.9Low75.2Confident25 Ų2530 Ų3017%0.16915%0.152CC..  trans50.334.7-170.7-65.30000112D61 T378D61-C65 WeakPolarHBondContact O-CA 3.46Å; D61-C65 PolarHBondContact O-N 3.34Å; D61-C65 VanDerWaalsContact O-N 3.13Å; C65-T378 WeakPolarHBondContact SG-CG2 3.5Å
66K74.8Confident75.6Confident64 Ų6429.9 Ų29.928%0.27815%0.153SC..EExtended strand (participates in β ladder)trans-84.5132170.5-74.2176-171.2-173.80108.7D61 S64 R80 R81D61-K66 HydrophobicContact CB-CB 4.12Å; D61-K66 WeakPolarHBondContact CB-O 3.34Å; D61-K66 PolarHBondContact N-O 3.44Å; S64-K66 PolarHBondContact O-N 3.43Å; S64-K66 WeakPolarHBondContact OG-CB 3.49Å; S64-K66 WeakPolarHBondContact OG-CD 3.45Å; S64-K66 WeakPolarHBondContact OG-CG 3.49Å; K66-R80 CarbonylContact C-O 3.55Å; K66-R80 VanDerWaalsContact CA-O 3.24Å; K66-R80 WeakPolarHBondContact CA-O 3.35Å; K66-R81 HydrophobicContact CG-CB 3.91Å; K66-R81 HydrophobicContact CG-CG 4.01Å
67L79Confident75.9Confident0 Ų025.4 Ų25.40%014%0.136CC..EExtended strand (participates in β ladder)trans-87.4122.3169.5-17274.7000108.6A4 V11 F13 I58 W60 V69 F79 R80A4-L67 HydrophobicContact CB-CD1 4.22Å; A4-L67 HydrophobicContact CB-CD2 4.12Å; V11-L67 HydrophobicContact CG1-CD2 3.67Å; F13-L67 HydrophobicContact CE1-CB 4.31Å; F13-L67 HydrophobicContact CE1-CD2 3.67Å; F13-L67 HydrophobicContact CZ-CB 4.31Å; F13-L67 HydrophobicContact CZ-CD2 3.62Å; I58-L67 HydrophobicContact CB-CD1 4.48Å; W60-L67 HydrophobicContact CD2-CD1 3.77Å; W60-L67 HydrophobicContact CE3-CB 4.2Å; W60-L67 HydrophobicContact CE3-CD1 4.2Å; W60-L67 HydrophobicContact CG-CD1 4.11Å; W60-L67 HydrophobicContact CZ2-CD1 4.19Å; W60-L67 HydrophobicContact CZ3-CB 4.15Å; L67-V69 HydrophobicContact CD2-CG2 3.63Å; L67-V69 HydrophobicContact CG-CG2 3.83Å; L67-F79 CarbonylContact O-C 3.51Å; L67-F79 WeakPolarHBondContact O-CA 3.41Å; L67-R80 PolarHBondContact N-O 3.17Å; L67-R80 PolarHBondContact O-N 3.38Å
68A81.7Confident76Confident0 Ų025.2 Ų25.20%013%0.133CC..EExtended strand (participates in β ladder)trans-94.8134168.200000109.5I58 Q59 I77 F78 F79 I112 F114I58-A68 WeakPolarHBondContact CA-O 3.37Å; Q59-A68 PolarHBondContact N-O 2.91Å; Q59-A68 PolarHBondContact O-N 3.47Å; A68-I77 HydrophobicContact CB-CG2 4.34Å; A68-F78 CarbonylContact C-O 3.59Å; A68-F78 WeakPolarHBondContact CA-O 3.41Å; A68-F79 HydrophobicContact CB-CD1 3.67Å; A68-F79 HydrophobicContact CB-CE1 3.56Å; A68-F79 HydrophobicContact CB-CZ 4.39Å; A68-I112 HydrophobicContact CB-CD1 3.58Å; A68-I112 WeakPolarHBondContact O-CD1 3.38Å; A68-F114 HydrophobicContact CB-CE2 3.69Å; A68-F114 HydrophobicContact CB-CZ 4.18Å
69V82.3Confident75.7Confident0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-135.4135-176.7-179.40000109.6V11 P47 L55 I58 L67 I77 F78V11-V69 HydrophobicContact CG2-CG2 4.33Å; P47-V69 HydrophobicContact CG-CG1 4.1Å; L55-V69 HydrophobicContact CB-CG1 4.23Å; L55-V69 HydrophobicContact CD1-CG1 3.62Å; L55-V69 HydrophobicContact CD2-CG1 3.67Å; L55-V69 HydrophobicContact CG-CG1 4.03Å; I58-V69 HydrophobicContact CG2-CG1 4.34Å; I58-V69 HydrophobicContact CG2-CG2 4.13Å; L67-V69 HydrophobicContact CD2-CG2 3.63Å; L67-V69 HydrophobicContact CG-CG2 3.83Å; V69-I77 WeakPolarHBondContact O-CA 3.49Å; V69-F78 PolarHBondContact N-O 3.27Å; V69-F78 PolarHBondContact O-N 3.26Å
70I79.8Confident75.3Confident0 Ų023.2 Ų23.20%012%0.123CC..EExtended strand (participates in β ladder)trans-102.2131.3171-46176.6000109R56 S57 I77 A109 I112R56-I70 HydrophobicContact CB-CB 4.37Å; R56-I70 PolarHBondContact N-O 2.92Å; S57-I70 PolarHBondContact O-N 3.45Å; I70-I77 HydrophobicContact CG1-CG1 4.49Å; I70-A109 HydrophobicContact CD1-CB 4.07Å; I70-A109 HydrophobicContact CG2-CB 3.86Å; I70-I112 HydrophobicContact CD1-CB 4.09Å; I70-I112 HydrophobicContact CD1-CG1 3.89Å; I70-I112 HydrophobicContact CD1-CG2 3.5Å; I70-I112 VanDerWaalsContact CD1-CG2 3.5Å; I70-I112 HydrophobicContact CG1-CB 4.43Å; I70-I112 HydrophobicContact CG1-CD1 4.03Å; I70-I112 HydrophobicContact CG1-CG1 3.94Å; I70-I112 HydrophobicContact CG1-CG2 3.76Å
71D77.6Confident75Confident3 Ų328.7 Ų28.72%0.01614%0.144CC..  trans-74.2170.6172.672.8-28.3000112.7Q48 S73 G74 S75 F78Q48-D71 PolarHBondContact NE2-OD2 3.03Å; Q48-D71 PolarHBondContact OE1-OD2 2.87Å; D71-S73 VanDerWaalsContact CG-OG 3.25Å; D71-S73 PolarHBondContact O-N 3.07Å; D71-S73 PolarHBondContact OD1-OG 2.87Å; D71-S73 WeakPolarHBondContact OD2-CB 3.44Å; D71-S73 PolarHBondContact OD2-OG 3.29Å; D71-G74 PolarHBondContact O-N 3.28Å; D71-G74 VanDerWaalsContact O-N 3.1Å; D71-G74 VanDerWaalsContact OD1-CA 3.25Å; D71-G74 WeakPolarHBondContact OD1-CA 3.36Å; D71-G74 PolarHBondContact OD1-N 3.47Å; D71-S75 PolarHBondContact OD1-N 3.27Å; D71-F78 HydrophobicContact CB-CE2 4Å
72H69.4Low74.6Confident78 Ų7828.6 Ų28.636%0.36114%0.143SC..THydrogen-bonded Turntrans-63.2-32177.5-16568.7000113.3C53 S54 R56 G74C53-H72 HydrophobicContact CB-CB 3.42Å; C53-H72 VanDerWaalsContact CB-CB 3.42Å; S54-H72 VanDerWaalsContact O-CA 3.3Å; S54-H72 WeakPolarHBondContact O-CA 3.28Å; S54-H72 WeakPolarHBondContact O-CB 3.44Å; S54-H72 PolarHBondContact O-N 3.36Å; S54-H72 PolarHBondContact O-ND1 3.06Å; S54-H72 PolarHBondContact OG-ND1 2.84Å; R56-H72 PolarHBondContact NE-O 3.44Å; R56-H72 PolarHBondContact NH2-O 3.35Å; H72-G74 PolarHBondContact O-N 3.43Å
73S71.2Confident74.3Confident50 Ų5034.6 Ų34.635%0.3517%0.166SC..THydrogen-bonded Turntrans-70.2-24.1178.382.40000111.2D71 S75 T108D71-S73 VanDerWaalsContact CG-OG 3.25Å; D71-S73 PolarHBondContact O-N 3.07Å; D71-S73 PolarHBondContact OD1-OG 2.87Å; D71-S73 WeakPolarHBondContact OD2-CB 3.44Å; D71-S73 PolarHBondContact OD2-OG 3.29Å; S73-S75 PolarHBondContact O-N 3.01Å; S73-S75 VanDerWaalsContact OG-CB 3.29Å; S73-S75 WeakPolarHBondContact OG-CB 3.32Å; S73-S75 PolarHBondContact OG-N 2.93Å; S73-S75 VanDerWaalsContact OG-N 3.1Å; S73-S75 PolarHBondContact OG-OG 3.35Å; S73-T108 VanDerWaalsContact O-CB 3.23Å; S73-T108 WeakPolarHBondContact O-CB 3.42Å; S73-T108 WeakPolarHBondContact O-CG2 2.94Å
74G75.6Confident73.6Confident0 Ų033.1 Ų33.10%018%0.179CC..  trans62.913.1-171.300000113.2D71 H72 A76 T108 A109D71-G74 PolarHBondContact O-N 3.28Å; D71-G74 VanDerWaalsContact O-N 3.1Å; D71-G74 VanDerWaalsContact OD1-CA 3.25Å; D71-G74 WeakPolarHBondContact OD1-CA 3.36Å; D71-G74 PolarHBondContact OD1-N 3.47Å; H72-G74 PolarHBondContact O-N 3.43Å; G74-A76 VanDerWaalsContact C-N 3.34Å; G74-T108 CarbonylContact O-C 3.58Å; G74-T108 WeakPolarHBondContact O-CA 3.12Å; G74-A109 WeakPolarHBondContact CA-O 3.43Å; G74-A109 PolarHBondContact O-N 3.31Å
75S77.1Confident72.5Confident62 Ų6233.6 Ų33.643%0.43419%0.188SC..SBendtrans-74.4-27.2-17862.10000112.5D71 S73D71-S75 PolarHBondContact OD1-N 3.27Å; S73-S75 PolarHBondContact O-N 3.01Å; S73-S75 VanDerWaalsContact OG-CB 3.29Å; S73-S75 WeakPolarHBondContact OG-CB 3.32Å; S73-S75 PolarHBondContact OG-N 2.93Å; S73-S75 VanDerWaalsContact OG-N 3.1Å; S73-S75 PolarHBondContact OG-OG 3.35Å
76A80Confident71.4Confident13 Ų1342.5 Ų42.511%0.10722%0.224CC..EExtended strand (participates in β ladder)trans-141.1147.2-177.900000112.2G74 F78 F100G74-A76 VanDerWaalsContact C-N 3.34Å; A76-F78 HydrophobicContact CB-CE2 3.87Å; A76-F78 HydrophobicContact CB-CZ 3.9Å; A76-F100 WeakPolarHBondContact CA-O 3.38Å
77I82.7Confident69.6Low1 Ų145.8 Ų45.81%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-104.6123.7169.3-53.2177.7000107.4A68 V69 I70 F79 F100 A109 I112 V124A68-I77 HydrophobicContact CB-CG2 4.34Å; V69-I77 WeakPolarHBondContact O-CA 3.49Å; I70-I77 HydrophobicContact CG1-CG1 4.49Å; I77-F79 HydrophobicContact CB-CE2 4.13Å; I77-F79 HydrophobicContact CG2-CD2 4.33Å; I77-F79 HydrophobicContact CG2-CE1 4.38Å; I77-F79 HydrophobicContact CG2-CE2 3.68Å; I77-F79 HydrophobicContact CG2-CZ 3.72Å; I77-F100 HydrophobicContact CB-CB 4.45Å; I77-F100 HydrophobicContact CB-CD1 4.29Å; I77-F100 HydrophobicContact CD1-CD1 4.07Å; I77-F100 HydrophobicContact CD1-CE1 4.45Å; I77-F100 HydrophobicContact CG1-CD1 4.38Å; I77-F100 PolarHBondContact N-O 3.47Å; I77-F100 PolarHBondContact O-N 3.46Å; I77-A109 HydrophobicContact CD1-CB 4.4Å; I77-A109 HydrophobicContact CG1-CB 4.32Å; I77-I112 HydrophobicContact CD1-CG2 3.81Å; I77-V124 HydrophobicContact CD1-CB 4.43Å; I77-V124 HydrophobicContact CD1-CG1 3.79Å; I77-V124 HydrophobicContact CD1-CG2 3.71Å
78F82.3Confident67.7Low13 Ų1352.8 Ų52.86%0.05728%0.281CS..EExtended strand (participates in β ladder)trans-99.9123.2-179.4-60.7-92.6000109P47 Q48 A68 V69 D71 A76 I97 T99P47-F78 HydrophobicContact CB-CB 4.21Å; P47-F78 HydrophobicContact CB-CD1 4.14Å; P47-F78 HydrophobicContact CB-CD2 3.83Å; P47-F78 HydrophobicContact CB-CE2 4.26Å; P47-F78 HydrophobicContact CB-CG 3.79Å; P47-F78 WeakPolarHBondContact O-CE1 3.5Å; Q48-F78 HydrophobicContact CG-CE1 4.48Å; Q48-F78 HydrophobicContact CG-CE2 4.29Å; Q48-F78 HydrophobicContact CG-CZ 3.73Å; A68-F78 CarbonylContact C-O 3.59Å; A68-F78 WeakPolarHBondContact CA-O 3.41Å; V69-F78 PolarHBondContact N-O 3.27Å; V69-F78 PolarHBondContact O-N 3.26Å; D71-F78 HydrophobicContact CB-CE2 4Å; A76-F78 HydrophobicContact CB-CE2 3.87Å; A76-F78 HydrophobicContact CB-CZ 3.9Å; F78-I97 HydrophobicContact CB-CG2 4.05Å; F78-I97 HydrophobicContact CD1-CG2 3.78Å; F78-I97 HydrophobicContact CG-CG2 4.42Å; F78-T99 HydrophobicContact CD1-CG2 3.59Å; F78-T99 HydrophobicContact CE1-CG2 3.56Å
79F81.6Confident65.6Low9 Ų958.4 Ų58.44%0.03932%0.316CS..EExtended strand (participates in β ladder)trans-106.5121.9172.6-60.1-93.8000109.2L67 A68 I77 T98 F100 F114 I122 I140L67-F79 CarbonylContact O-C 3.51Å; L67-F79 WeakPolarHBondContact O-CA 3.41Å; A68-F79 HydrophobicContact CB-CD1 3.67Å; A68-F79 HydrophobicContact CB-CE1 3.56Å; A68-F79 HydrophobicContact CB-CZ 4.39Å; I77-F79 HydrophobicContact CB-CE2 4.13Å; I77-F79 HydrophobicContact CG2-CD2 4.33Å; I77-F79 HydrophobicContact CG2-CE1 4.38Å; I77-F79 HydrophobicContact CG2-CE2 3.68Å; I77-F79 HydrophobicContact CG2-CZ 3.72Å; F79-T98 WeakPolarHBondContact CB-OG1 3.34Å; F79-T98 PolarHBondContact N-O 3.42Å; F79-T98 PolarHBondContact O-N 3.21Å; F79-T98 PolarHBondContact O-OG1 3.32Å; F79-F100 HydrophobicContact CD2-CB 4.26Å; F79-F100 HydrophobicContact CE2-CB 3.69Å; F79-F100 HydrophobicContact CE2-CG 4.38Å; F79-F114 HydrophobicContact CD1-CZ 4.28Å; F79-F114 HydrophobicContact CE1-CE2 4.46Å; F79-F114 AromaticContact CE1-CZ 3.72Å; F79-F114 HydrophobicContact CE1-CZ 3.72Å; F79-I122 HydrophobicContact CE1-CD1 3.92Å; F79-I122 HydrophobicContact CZ-CD1 3.85Å; F79-I140 HydrophobicContact CD2-CD1 3.9Å; F79-I140 HydrophobicContact CE1-CD1 4.45Å; F79-I140 HydrophobicContact CE2-CD1 3.27Å; F79-I140 HydrophobicContact CZ-CD1 3.6Å
80R77.4Confident64Low8 Ų860.3 Ų60.33%0.0332%0.323CS..EExtended strand (participates in β ladder)trans-114.9125.9173.7-174.5170.9-171.2152.16.5110.3Y45 K66 L67 D91Y45-R80 VanDerWaalsContact CD1-NH1 3.34Å; K66-R80 CarbonylContact C-O 3.55Å; K66-R80 VanDerWaalsContact CA-O 3.24Å; K66-R80 WeakPolarHBondContact CA-O 3.35Å; L67-R80 PolarHBondContact N-O 3.17Å; L67-R80 PolarHBondContact O-N 3.38Å; R80-D91 PolarHBondContact NH2-O 3.13Å
81R72.1Confident62.1Low115 Ų11563.9 Ų63.943%0.43434%0.342SS..EExtended strand (participates in β ladder)trans-85135.2171.8-165.1176.7-170.2177.60109.9K66K66-R81 HydrophobicContact CG-CB 3.91Å; K66-R81 HydrophobicContact CG-CG 4.01Å
82L65.4Low60.6Low12 Ų1271.6 Ų71.66%0.06338%0.378CS..PPolyproline II helixtrans-95.7117.4165.1-64.8-177.7000108.8Y2 F13 L43 W60 Y90Y2-L82 HydrophobicContact CD1-CD1 4.37Å; Y2-L82 HydrophobicContact CG-CD1 4.23Å; F13-L82 HydrophobicContact CD1-CD1 3.85Å; F13-L82 HydrophobicContact CD1-CD2 4.45Å; F13-L82 HydrophobicContact CD2-CD2 4.28Å; F13-L82 HydrophobicContact CE1-CD1 3.93Å; F13-L82 HydrophobicContact CE1-CD2 4.33Å; F13-L82 HydrophobicContact CE1-CG 4.42Å; F13-L82 HydrophobicContact CE2-CD2 4.11Å; F13-L82 HydrophobicContact CG-CD1 4.4Å; F13-L82 HydrophobicContact CG-CD2 4.41Å; F13-L82 HydrophobicContact CZ-CD2 4.15Å; L43-L82 HydrophobicContact CD2-CD2 4.02Å; W60-L82 HydrophobicContact CH2-CD1 3.43Å; W60-L82 VanDerWaalsContact CH2-CD1 3.43Å; W60-L82 HydrophobicContact CH2-CG 4.43Å; W60-L82 HydrophobicContact CZ3-CD1 3.7Å; W60-L82 HydrophobicContact CZ3-CG 4.35Å; L82-Y90 HydrophobicContact CD2-CE1 4.28Å
83Y56.8Low59.7Low128 Ų12872.2 Ų72.250%0.50238%0.384SS..PPolyproline II helixtrans-81121.8170.7-72.9-72.9000109.9G85 D96Y83-G85 VanDerWaalsContact C-N 3.29Å; Y83-G85 PolarHBondContact O-N 2.9Å; Y83-D96 WeakPolarHBondContact CE2-OD2 3.45Å
84A49.4Very low58.7Low83 Ų8374.4 Ų74.469%0.68640%0.396SS*.  trans-8970.116100000108.6
85G41.1Very low57.5Low41 Ų4178.5 Ų78.542%0.42342%0.424SS..  trans-73148.4168.500000110.4Y83 N87Y83-G85 VanDerWaalsContact C-N 3.29Å; Y83-G85 PolarHBondContact O-N 2.9Å; G85-N87 CarbonylContact O-C 3.49Å; G85-N87 PolarHBondContact O-N 3.34Å
86K42.1Very low56.6Low213 Ų21377.7 Ų77.793%0.92642%0.415SS*.SBendtrans-57-26.4166.7-79.8-175.5175.3-178.20112.2
87N38Very low55.8Low133 Ų13378.5 Ų78.571%0.71142%0.417SS*.SBendtrans-90.9110166.3-64.5-12.3000106.3G85 V89G85-N87 CarbonylContact O-C 3.49Å; G85-N87 PolarHBondContact O-N 3.34Å; N87-V89 HydrophobicContact CB-CG2 4.39Å; N87-V89 PolarHBondContact O-N 2.92Å
88L39.1Very low55.2Low146 Ų14682.3 Ų82.376%0.76444%0.44SS*.  trans-60.824176.7-82148.3000114.2Y90L88-Y90 VanDerWaalsContact C-N 3.35Å; L88-Y90 PolarHBondContact O-N 3.44Å
89V37.5Very low54.7Low119 Ų11986.3 Ų86.372%0.72147%0.466SS*.  trans-81.288.7174.9-171.30000106.7N87 D91N87-V89 HydrophobicContact CB-CG2 4.39Å; N87-V89 PolarHBondContact O-N 2.92Å; V89-D91 PolarHBondContact O-N 2.69Å; V89-D91 VanDerWaalsContact O-N 3.09Å
90Y47.8Very low54.5Low39 Ų3987.2 Ų87.215%0.15347%0.47CS..  trans-55.4113.4157.8-70.5-89000106.1Y2 L43 L82 L88 Q92Y2-Y90 WeakPolarHBondContact CE1-OH 3.45Å; L43-Y90 HydrophobicContact CB-CD1 4.31Å; L43-Y90 HydrophobicContact CD2-CD1 4.17Å; L82-Y90 HydrophobicContact CD2-CE1 4.28Å; L88-Y90 VanDerWaalsContact C-N 3.35Å; L88-Y90 PolarHBondContact O-N 3.44Å; Y90-Q92 PolarHBondContact O-N 2.87Å
91D40.9Very low54.5Low76 Ų7690.6 Ų90.641%0.40650%0.495SS..  trans-61.8108.4172-146.7-18.5000106.2R80 V89 N93R80-D91 PolarHBondContact NH2-O 3.13Å; V89-D91 PolarHBondContact O-N 2.69Å; V89-D91 VanDerWaalsContact O-N 3.09Å; D91-N93 PolarHBondContact O-N 3.41Å; D91-N93 VanDerWaalsContact OD1-CG 3.31Å; D91-N93 PolarHBondContact OD1-ND2 3.25Å
92Q46Very low54.4Low165 Ų16585.5 Ų85.577%0.77148%0.477SS*.  trans-66.7-10.7178.5-71.6-176.1-0.800110.7Y90 T94Y90-Q92 PolarHBondContact O-N 2.87Å; Q92-T94 PolarHBondContact O-N 2.92Å
93N49.7Very low54.3Low91 Ų9191.4 Ų91.449%0.48751%0.507SS..  trans-62.8126.8-179.9-67.6-28.4000111D91 S95D91-N93 PolarHBondContact O-N 3.41Å; D91-N93 VanDerWaalsContact OD1-CG 3.31Å; D91-N93 PolarHBondContact OD1-ND2 3.25Å; N93-S95 VanDerWaalsContact CB-OG 3.27Å; N93-S95 WeakPolarHBondContact CB-OG 3.47Å; N93-S95 PolarHBondContact O-N 2.85Å; N93-S95 VanDerWaalsContact O-N 3.09Å
94T51.1Low54.5Low96 Ų9686.7 Ų86.759%0.58949%0.493SS*.G310 helixtrans-62.1-8170.447.60000113Q92 D96 I97Q92-T94 PolarHBondContact O-N 2.92Å; T94-D96 PolarHBondContact O-N 3.18Å; T94-D96 VanDerWaalsContact O-N 3.12Å; T94-I97 PolarHBondContact O-N 3.44Å
95S49Very low55Low85 Ų8591.9 Ų91.959%0.59450%0.503SS*.G310 helixtrans-58.5-21.5-179.754.10000114.3N93N93-S95 VanDerWaalsContact CB-OG 3.27Å; N93-S95 WeakPolarHBondContact CB-OG 3.47Å; N93-S95 PolarHBondContact O-N 2.85Å; N93-S95 VanDerWaalsContact O-N 3.09Å
96D59.6Low56.5Low46 Ų4697.1 Ų97.125%0.24652%0.521CS..G310 helixtrans-92.34.8-176.2-72.6-6.3000114.2Y83 T94 T98Y83-D96 WeakPolarHBondContact CE2-OD2 3.45Å; T94-D96 PolarHBondContact O-N 3.18Å; T94-D96 VanDerWaalsContact O-N 3.12Å; D96-T98 PolarHBondContact O-N 3.03Å
97I62.2Low58.3Low29 Ų2989.3 Ų89.315%0.14949%0.487CS..EExtended strand (participates in β ladder)trans-86.9105.9175.7-57.2175.4000108.6Y45 F78 T94 T99Y45-I97 HydrophobicContact CD2-CD1 3.83Å; Y45-I97 HydrophobicContact CE2-CD1 4.02Å; F78-I97 HydrophobicContact CB-CG2 4.05Å; F78-I97 HydrophobicContact CD1-CG2 3.78Å; F78-I97 HydrophobicContact CG-CG2 4.42Å; T94-I97 PolarHBondContact O-N 3.44Å; I97-T99 HydrophobicContact CG2-CG2 4.49Å
98T70.8Confident60.6Low81 Ų8185 Ų8550%0.49747%0.466SS..EExtended strand (participates in β ladder)trans-83.3121.4169.651.80000109.3F79 D96F79-T98 WeakPolarHBondContact CB-OG1 3.34Å; F79-T98 PolarHBondContact N-O 3.42Å; F79-T98 PolarHBondContact O-N 3.21Å; F79-T98 PolarHBondContact O-OG1 3.32Å; D96-T98 PolarHBondContact O-N 3.03Å
99T71.8Confident62.9Low98 Ų9878 Ų7860%0.60143%0.429SS*.EExtended strand (participates in β ladder)trans-92139176.1570000110.5F78 I97F78-T99 HydrophobicContact CD1-CG2 3.59Å; F78-T99 HydrophobicContact CE1-CG2 3.56Å; I97-T99 HydrophobicContact CG2-CG2 4.49Å
100F77.1Confident65.4Low27 Ų2773.1 Ų73.112%0.11840%0.4CS..EExtended strand (participates in β ladder)trans-125.2110.8172.7174.7-103000108.3A76 I77 F79 Y134 I140A76-F100 WeakPolarHBondContact CA-O 3.38Å; I77-F100 HydrophobicContact CB-CB 4.45Å; I77-F100 HydrophobicContact CB-CD1 4.29Å; I77-F100 HydrophobicContact CD1-CD1 4.07Å; I77-F100 HydrophobicContact CD1-CE1 4.45Å; I77-F100 HydrophobicContact CG1-CD1 4.38Å; I77-F100 PolarHBondContact N-O 3.47Å; I77-F100 PolarHBondContact O-N 3.46Å; F79-F100 HydrophobicContact CD2-CB 4.26Å; F79-F100 HydrophobicContact CE2-CB 3.69Å; F79-F100 HydrophobicContact CE2-CG 4.38Å; F100-Y134 HydrophobicContact CE1-CD1 4.31Å; F100-Y134 HydrophobicContact CE1-CD2 4.44Å; F100-Y134 HydrophobicContact CE1-CE1 4.13Å; F100-Y134 HydrophobicContact CE1-CE2 4.21Å; F100-Y134 HydrophobicContact CE1-CG 4.49Å; F100-Y134 HydrophobicContact CE2-CD1 4.42Å; F100-Y134 AromaticContact CZ-CD1 3.61Å; F100-Y134 HydrophobicContact CZ-CD1 3.61Å; F100-Y134 AromaticContact CZ-CE1 3.48Å; F100-Y134 HydrophobicContact CZ-CE1 3.48Å; F100-Y134 VanDerWaalsContact CZ-CE1 3.48Å; F100-Y134 HydrophobicContact CZ-CE2 4.36Å; F100-Y134 HydrophobicContact CZ-CG 4.17Å; F100-Y134 AromaticContact CZ-CZ 3.87Å; F100-I140 HydrophobicContact CB-CD1 3.98Å; F100-I140 HydrophobicContact CD2-CB 3.71Å; F100-I140 HydrophobicContact CD2-CD1 3.98Å; F100-I140 HydrophobicContact CD2-CG1 4.44Å; F100-I140 HydrophobicContact CD2-CG2 3.73Å; F100-I140 HydrophobicContact CE1-CG2 4.3Å; F100-I140 HydrophobicContact CE2-CB 3.78Å; F100-I140 HydrophobicContact CE2-CG2 3.43Å; F100-I140 VanDerWaalsContact CE2-CG2 3.43Å; F100-I140 HydrophobicContact CG-CB 4.47Å; F100-I140 HydrophobicContact CG-CD1 3.97Å; F100-I140 HydrophobicContact CG-CG2 4.29Å; F100-I140 HydrophobicContact CZ-CG2 3.76Å
101S76.9Confident67.5Low79 Ų7971.5 Ų71.555%0.55239%0.394SS*.EExtended strand (participates in β ladder)trans-86.6143.6170.549.90000110.1
102L70.4Confident69.9Low9 Ų968 Ų685%0.04738%0.375CS..  trans-61.8149.3170.1-71.7146.2000109.9S104 A109 V124 T126L102-S104 PolarHBondContact O-N 3.43Å; L102-S104 VanDerWaalsContact O-N 3.11Å; L102-A109 HydrophobicContact CD1-CB 3.89Å; L102-A109 VanDerWaalsContact CD1-N 3.31Å; L102-V124 HydrophobicContact CD2-CG1 4.28Å; L102-T126 HydrophobicContact CD2-CG2 4.37Å
103L62.5Low72.1Confident135 Ų13560.3 Ų60.371%0.70734%0.34SS*.SBendtrans-62.1-18.6-177-72.1169.7000114.2F142L103-F142 HydrophobicContact CD1-CB 3.75Å; L103-F142 HydrophobicContact CD1-CG 4.22Å
104S61.4Low74.1Confident30 Ų3056.2 Ų56.221%0.2132%0.318CS..  trans-126.7141.1178.6110.60000110.9L102 N106 F107L102-S104 PolarHBondContact O-N 3.43Å; L102-S104 VanDerWaalsContact O-N 3.11Å; S104-N106 PolarHBondContact O-N 2.93Å; S104-N106 PolarHBondContact OG-N 3.38Å; S104-F107 WeakPolarHBondContact OG-CD1 3.48Å; S104-F107 WeakPolarHBondContact OG-CE1 3.3Å; S104-F107 VanDerWaalsContact OG-CE2 3.29Å; S104-F107 WeakPolarHBondContact OG-CE2 3.37Å; S104-F107 WeakPolarHBondContact OG-CZ 3.45Å
105H60.6Low75.8Confident191 Ų19151.7 Ų51.788%0.88429%0.29SS*.THydrogen-bonded Turntrans-77.3-2.5174.4-65.8-71.5000113.5
106N72.4Confident77.4Confident151 Ų15148.6 Ų48.681%0.80727%0.266SS*.THydrogen-bonded Turntrans-89.1-14.4-172.7-68.2-3.6000113.6S104S104-N106 PolarHBondContact O-N 2.93Å; S104-N106 PolarHBondContact OG-N 3.38Å
107F80Confident78.1Confident50 Ų5050.6 Ų50.622%0.21927%0.27CS..  trans-140.4152.5-177.741.3-106.2000111.6S104 T126 S127 A128S104-F107 WeakPolarHBondContact OG-CD1 3.48Å; S104-F107 WeakPolarHBondContact OG-CE1 3.3Å; S104-F107 VanDerWaalsContact OG-CE2 3.29Å; S104-F107 WeakPolarHBondContact OG-CE2 3.37Å; S104-F107 WeakPolarHBondContact OG-CZ 3.45Å; F107-T126 HydrophobicContact CD2-CG2 4.3Å; F107-S127 WeakPolarHBondContact CA-OG 3.31Å; F107-A128 HydrophobicContact CB-CB 3.9Å; F107-A128 HydrophobicContact CD1-CB 4.06Å; F107-A128 HydrophobicContact CG-CB 4.22Å
108T85.4Confident78.6Confident41 Ų4150.5 Ų50.525%0.25227%0.272SS..  trans-113.8149.6-173.662.90000110.2S73 G74 T126 S127S73-T108 VanDerWaalsContact O-CB 3.23Å; S73-T108 WeakPolarHBondContact O-CB 3.42Å; S73-T108 WeakPolarHBondContact O-CG2 2.94Å; G74-T108 CarbonylContact O-C 3.58Å; G74-T108 WeakPolarHBondContact O-CA 3.12Å; T108-T126 CarbonylContact O-C 3.59Å; T108-T126 WeakPolarHBondContact O-CA 3.38Å; T108-S127 PolarHBondContact N-OG 3.32Å; T108-S127 PolarHBondContact O-N 3.25Å; T108-S127 WeakPolarHBondContact OG1-CB 3.48Å; T108-S127 PolarHBondContact OG1-OG 2.7Å
109A88.8Confident78.6Confident0 Ų046.9 Ų46.90%025%0.251CS..EExtended strand (participates in β ladder)trans-70.5132.7172.300000109.5R56 I70 G74 I77 L102 V124 G125R56-A109 PolarHBondContact NH1-O 3.48Å; I70-A109 HydrophobicContact CD1-CB 4.07Å; I70-A109 HydrophobicContact CG2-CB 3.86Å; G74-A109 WeakPolarHBondContact CA-O 3.43Å; G74-A109 PolarHBondContact O-N 3.31Å; I77-A109 HydrophobicContact CD1-CB 4.4Å; I77-A109 HydrophobicContact CG1-CB 4.32Å; L102-A109 HydrophobicContact CD1-CB 3.89Å; L102-A109 VanDerWaalsContact CD1-N 3.31Å; A109-V124 HydrophobicContact CB-CG1 3.8Å; A109-G125 WeakPolarHBondContact CA-O 3.46Å
110T89.4Confident79Confident17 Ų1749.3 Ų49.310%0.10425%0.249CC..EExtended strand (participates in β ladder)trans-105.7-40.9179.253.50000111.7G125 P163T110-G125 PolarHBondContact N-O 2.92Å; T110-G125 VanDerWaalsContact OG1-C 3.23Å; T110-G125 PolarHBondContact OG1-O 2.86Å; T110-P163 WeakPolarHBondContact CB-O 3.47Å; T110-P163 PolarHBondContact OG1-O 3.44Å
111C91.2Very high79.4Confident4 Ų450.7 Ų50.73%0.02725%0.254CS..EExtended strand (participates in β ladder)trans-150.2156.2-178.458.40000111.6V124 G125 R164 V166C111-V124 WeakPolarHBondContact O-CA 3.41Å; C111-G125 PolarHBondContact O-N 3.12Å; C111-R164 WeakPolarHBondContact CB-O 3.47Å; C111-V166 HydrophobicContact CB-CG1 4.06Å
112I92.8Very high80.1Confident4 Ų447 Ų472%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-134.2146-18051.3167.5000111.2S57 Q59 A68 I70 I77 I122 A123 V124 V166S57-I112 WeakPolarHBondContact OG-CG1 3.38Å; Q59-I112 HydrophobicContact CB-CD1 4.01Å; Q59-I112 HydrophobicContact CB-CG1 4.18Å; A68-I112 HydrophobicContact CB-CD1 3.58Å; A68-I112 WeakPolarHBondContact O-CD1 3.38Å; I70-I112 HydrophobicContact CD1-CB 4.09Å; I70-I112 HydrophobicContact CD1-CG1 3.89Å; I70-I112 HydrophobicContact CD1-CG2 3.5Å; I70-I112 VanDerWaalsContact CD1-CG2 3.5Å; I70-I112 HydrophobicContact CG1-CB 4.43Å; I70-I112 HydrophobicContact CG1-CD1 4.03Å; I70-I112 HydrophobicContact CG1-CG1 3.94Å; I70-I112 HydrophobicContact CG1-CG2 3.76Å; I77-I112 HydrophobicContact CD1-CG2 3.81Å; I112-I122 HydrophobicContact CB-CD1 4.43Å; I112-I122 HydrophobicContact CG2-CD1 4.28Å; I112-A123 CarbonylContact C-O 3.28Å; I112-A123 WeakPolarHBondContact CA-O 3.16Å; I112-V124 HydrophobicContact CG2-CG1 4.31Å; I112-V124 HydrophobicContact CG2-CG2 4.1Å; I112-V166 VanDerWaalsContact C-CG1 3.47Å
113A92Very high81.1Confident3 Ų346.5 Ų46.53%0.02523%0.225CC..EExtended strand (participates in β ladder)trans-148.5140.3167.200000112.7A123 V166 W168A113-A123 PolarHBondContact N-O 2.9Å; A113-A123 PolarHBondContact O-N 3.44Å; A113-V166 HydrophobicContact CB-CG1 3.75Å; A113-V166 HydrophobicContact CB-CG2 4.49Å; A113-V166 WeakPolarHBondContact CB-O 3.45Å; A113-W168 PolarHBondContact O-NE1 2.86Å
114F89.9Confident82.5Confident5 Ų540.1 Ų40.12%0.02219%0.192CC..  trans-92.2145.6167.4-73.7-82000110.8Q59 W60 D61 A68 F79 Y121 I122 W168Q59-F114 HydrophobicContact CB-CD2 4.29Å; Q59-F114 HydrophobicContact CG-CD2 3.78Å; W60-F114 VanDerWaalsContact O-CD2 3.31Å; W60-F114 WeakPolarHBondContact O-CD2 3.35Å; D61-F114 HydrophobicContact CB-CD1 4.38Å; D61-F114 HydrophobicContact CB-CD2 4.32Å; D61-F114 HydrophobicContact CB-CE1 4Å; D61-F114 HydrophobicContact CB-CE2 3.92Å; D61-F114 HydrophobicContact CB-CZ 3.72Å; A68-F114 HydrophobicContact CB-CE2 3.69Å; A68-F114 HydrophobicContact CB-CZ 4.18Å; F79-F114 HydrophobicContact CD1-CZ 4.28Å; F79-F114 HydrophobicContact CE1-CE2 4.46Å; F79-F114 AromaticContact CE1-CZ 3.72Å; F79-F114 HydrophobicContact CE1-CZ 3.72Å; F114-Y121 WeakPolarHBondContact CD1-O 3.28Å; F114-I122 HydrophobicContact CD1-CB 4.19Å; F114-I122 HydrophobicContact CD1-CG1 4.42Å; F114-I122 HydrophobicContact CE1-CB 4.05Å; F114-I122 HydrophobicContact CE1-CD1 4.18Å; F114-I122 HydrophobicContact CE1-CG1 4.31Å; F114-I122 HydrophobicContact CE2-CD1 4.21Å; F114-I122 HydrophobicContact CZ-CD1 3.95Å; F114-W168 VanDerWaalsContact O-CD1 3.23Å
115P87.4Confident83.9Confident0 Ų038.7 Ų38.70%018%0.182CC..  trans-61.6135.5165.226.8-31000109.3P62 R117 S118 Y121 W168 D172P62-P115 VanDerWaalsContact CG-O 3.29Å; P62-P115 WeakPolarHBondContact CG-O 3.43Å; P115-R117 VanDerWaalsContact C-N 3.34Å; P115-R117 PolarHBondContact O-N 2.95Å; P115-S118 WeakPolarHBondContact CB-OG 3.4Å; P115-S118 WeakPolarHBondContact CG-OG 3.39Å; P115-Y121 WeakPolarHBondContact CD-O 3.48Å; P115-W168 HydrophobicContact CB-CD2 3.76Å; P115-W168 HydrophobicContact CB-CE3 3.89Å; P115-W168 HydrophobicContact CB-CG 4.1Å; P115-W168 HydrophobicContact CB-CZ2 4.48Å; P115-W168 HydrophobicContact CB-CZ3 4.28Å; P115-W168 HydrophobicContact CG-CZ2 4.46Å; P115-D172 WeakPolarHBondContact CA-OD1 3.15Å; P115-D172 HydrophobicContact CB-CB 3.77Å; P115-D172 WeakPolarHBondContact CB-OD2 3.23Å
116Q82Confident85.3Confident21 Ų2129.6 Ų29.610%0.09814%0.14CC..THydrogen-bonded Turntrans-66.6-33.7-171-62.4-170-0.900113D172 T224 S225 N229Q116-D172 PolarHBondContact N-OD1 2.81Å; Q116-D172 PolarHBondContact N-OD2 3.36Å; Q116-T224 PolarHBondContact NE2-OG1 2.87Å; Q116-S225 PolarHBondContact NE2-O 3.42Å; Q116-N229 PolarHBondContact OE1-OD1 3.15Å
117R75.8Confident86Confident88 Ų8823.5 Ų23.533%0.33211%0.109SC..THydrogen-bonded Turntrans-101.4-39.9-176.4-56.6178.5170.7-170.6-4.8112.1R63 P115 N171 D172 N229 Y379R63-R117 PolarHBondContact NH2-O 3.35Å; P115-R117 VanDerWaalsContact C-N 3.34Å; P115-R117 PolarHBondContact O-N 2.95Å; R117-N171 PolarHBondContact NH1-OD1 2.83Å; R117-N171 PolarHBondContact NH2-OD1 3.38Å; R117-D172 WeakPolarHBondContact CA-OD2 3.43Å; R117-D172 VanDerWaalsContact CB-OD2 3.3Å; R117-D172 WeakPolarHBondContact CB-OD2 3.41Å; R117-D172 PolarHBondContact N-OD2 3.4Å; R117-N229 PolarHBondContact NH2-ND2 2.94Å; R117-Y379 HydrophobicContact CB-CD1 4.49Å; R117-Y379 HydrophobicContact CB-CE1 4.31Å; R117-Y379 HydrophobicContact CG-CE1 4.41Å; R117-Y379 HydrophobicContact CG-CE2 4.15Å
118S72.3Confident86.3Confident27 Ų2722.2 Ų22.219%0.18911%0.107CC..THydrogen-bonded Turntrans-89.4-24.3-165.484.80000115.4R63 P115 R120 D172R63-S118 WeakPolarHBondContact CD-O 3.23Å; R63-S118 PolarHBondContact NE-O 3.03Å; R63-S118 PolarHBondContact NH1-O 3.28Å; R63-S118 PolarHBondContact NH2-O 3Å; R63-S118 VanDerWaalsContact NH2-O 3.09Å; P115-S118 WeakPolarHBondContact CB-OG 3.4Å; P115-S118 WeakPolarHBondContact CG-OG 3.39Å; S118-R120 WeakPolarHBondContact O-CG 3.3Å; S118-R120 PolarHBondContact O-N 2.8Å; S118-D172 PolarHBondContact N-OD2 2.85Å; S118-D172 VanDerWaalsContact N-OD2 3.16Å
119G70.7Confident86.4Confident5 Ų520.8 Ų20.85%0.05210%0.101CC..  trans428-177.800000118.2
120R80.5Confident86.4Confident149 Ų14921.3 Ų21.356%0.56210%0.104SC*.SBendtrans-97.7-9-174.1-78.8178.4-172-1793.5111.6R63 S118 K135 C136R63-R120 VanDerWaalsContact NH1-CG 3.29Å; S118-R120 WeakPolarHBondContact O-CG 3.3Å; S118-R120 PolarHBondContact O-N 2.8Å; R120-K135 CarbonylContact O-C 3.59Å; R120-K135 WeakPolarHBondContact O-CA 3.46Å; R120-C136 PolarHBondContact O-N 2.89Å
121Y86.2Confident86.4Confident55 Ų5520.5 Ų20.522%0.21610%0.099CC..EExtended strand (participates in β ladder)trans-129.8158.9-179-56.5-74.2000109F114 P115 Y134 K135 R143F114-Y121 WeakPolarHBondContact CD1-O 3.28Å; P115-Y121 WeakPolarHBondContact CD-O 3.48Å; Y121-Y134 CarbonylContact C-O 3.52Å; Y121-Y134 WeakPolarHBondContact CA-O 3.22Å; Y121-K135 HydrophobicContact CD1-CB 4.26Å; Y121-K135 HydrophobicContact CD1-CG 4.21Å; Y121-K135 HydrophobicContact CE1-CB 4.23Å; Y121-K135 HydrophobicContact CE1-CG 3.83Å; Y121-R143 PolarHBondContact OH-NH1 3.47Å
122I90Very high86.3Confident1 Ų120.5 Ų20.51%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-137.4133.6169.2-174.9173.9000107.7F79 I112 F114 V124 L133 Y134 C136F79-I122 HydrophobicContact CE1-CD1 3.92Å; F79-I122 HydrophobicContact CZ-CD1 3.85Å; I112-I122 HydrophobicContact CB-CD1 4.43Å; I112-I122 HydrophobicContact CG2-CD1 4.28Å; F114-I122 HydrophobicContact CD1-CB 4.19Å; F114-I122 HydrophobicContact CD1-CG1 4.42Å; F114-I122 HydrophobicContact CE1-CB 4.05Å; F114-I122 HydrophobicContact CE1-CD1 4.18Å; F114-I122 HydrophobicContact CE1-CG1 4.31Å; F114-I122 HydrophobicContact CE2-CD1 4.21Å; F114-I122 HydrophobicContact CZ-CD1 3.95Å; I122-V124 HydrophobicContact CD1-CG2 4.43Å; I122-V124 HydrophobicContact CG1-CG2 4.22Å; I122-V124 HydrophobicContact CG2-CG2 4.47Å; I122-L133 WeakPolarHBondContact O-CA 3.31Å; I122-Y134 HydrophobicContact CG2-CD2 4.32Å; I122-Y134 HydrophobicContact CG2-CG 4.43Å; I122-Y134 PolarHBondContact N-O 3.41Å; I122-Y134 PolarHBondContact O-N 3.5Å; I122-C136 VanDerWaalsContact CG2-SG 3.5Å
123A91.6Very high86.1Confident0 Ų020.3 Ų20.30%010%0.098CC..EExtended strand (participates in β ladder)trans-94.7131.7170.700000108.8I112 A113 I131 L133 V166 W168 V175I112-A123 CarbonylContact C-O 3.28Å; I112-A123 WeakPolarHBondContact CA-O 3.16Å; A113-A123 PolarHBondContact N-O 2.9Å; A113-A123 PolarHBondContact O-N 3.44Å; A123-I131 HydrophobicContact CB-CG2 4.04Å; A123-L133 HydrophobicContact CB-CD2 3.65Å; A123-V166 HydrophobicContact CB-CG2 3.97Å; A123-W168 HydrophobicContact CB-CZ2 3.9Å; A123-V175 HydrophobicContact CB-CG1 4.21Å
124V92.1Very high86Confident0 Ų020.3 Ų20.30%010%0.097CC..EExtended strand (participates in β ladder)trans-128.5115.3-179.7-175.60000108.7I77 L102 A109 C111 I112 I122 I131 N132 Y134I77-V124 HydrophobicContact CD1-CB 4.43Å; I77-V124 HydrophobicContact CD1-CG1 3.79Å; I77-V124 HydrophobicContact CD1-CG2 3.71Å; L102-V124 HydrophobicContact CD2-CG1 4.28Å; A109-V124 HydrophobicContact CB-CG1 3.8Å; C111-V124 WeakPolarHBondContact O-CA 3.41Å; I112-V124 HydrophobicContact CG2-CG1 4.31Å; I112-V124 HydrophobicContact CG2-CG2 4.1Å; I122-V124 HydrophobicContact CD1-CG2 4.43Å; I122-V124 HydrophobicContact CG1-CG2 4.22Å; I122-V124 HydrophobicContact CG2-CG2 4.47Å; V124-I131 CarbonylContact O-C 3.49Å; V124-I131 WeakPolarHBondContact O-CA 3.16Å; V124-N132 PolarHBondContact N-O 3.1Å; V124-N132 PolarHBondContact O-N 3.3Å; V124-Y134 HydrophobicContact CB-CD2 4.36Å; V124-Y134 HydrophobicContact CB-CE2 4Å; V124-Y134 HydrophobicContact CG2-CD2 3.74Å; V124-Y134 HydrophobicContact CG2-CE2 3.79Å
125G91.8Very high85.7Confident0 Ų023.2 Ų23.20%011%0.11CC..EExtended strand (participates in β ladder)trans-72.7143.5169.800000110.5A109 T110 C111A109-G125 WeakPolarHBondContact CA-O 3.46Å; T110-G125 PolarHBondContact N-O 2.92Å; T110-G125 VanDerWaalsContact OG1-C 3.23Å; T110-G125 PolarHBondContact OG1-O 2.86Å; C111-G125 PolarHBondContact O-N 3.12Å
126T89.7Confident85.4Confident1 Ų124.4 Ų24.41%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-120150.1-179660000111.8L102 F107 T108 A128 G129 P130 P163L102-T126 HydrophobicContact CD2-CG2 4.37Å; F107-T126 HydrophobicContact CD2-CG2 4.3Å; T108-T126 CarbonylContact O-C 3.59Å; T108-T126 WeakPolarHBondContact O-CA 3.38Å; T126-A128 PolarHBondContact O-N 2.96Å; T126-A128 VanDerWaalsContact O-N 3.1Å; T126-G129 PolarHBondContact O-N 3.39Å; T126-P130 PolarHBondContact N-O 2.94Å; T126-P130 WeakPolarHBondContact OG1-CD 3.02Å; T126-P130 WeakPolarHBondContact OG1-CG 3.32Å; T126-P130 PolarHBondContact OG1-O 3.32Å; T126-P163 WeakPolarHBondContact O-CD 3.21Å; T126-P163 WeakPolarHBondContact O-CG 3.19Å
127S87.5Confident85Confident22 Ų2229.3 Ų29.315%0.15414%0.141CC..THydrogen-bonded Turntrans-63.5-14.9176.765.70000113.8F107 T108 G129 Q162F107-S127 WeakPolarHBondContact CA-OG 3.31Å; T108-S127 PolarHBondContact N-OG 3.32Å; T108-S127 PolarHBondContact O-N 3.25Å; T108-S127 WeakPolarHBondContact OG1-CB 3.48Å; T108-S127 PolarHBondContact OG1-OG 2.7Å; S127-G129 VanDerWaalsContact C-N 3.26Å; S127-Q162 VanDerWaalsContact O-CG 3.28Å; S127-Q162 WeakPolarHBondContact O-CG 3.26Å; S127-Q162 PolarHBondContact O-NE2 3.27Å
128A85.9Confident84.8Confident23 Ų2335.6 Ų35.619%0.1917%0.171CC..THydrogen-bonded Turntrans-81.8-2.417200000113.2F107 T126 P130 E160F107-A128 HydrophobicContact CB-CB 3.9Å; F107-A128 HydrophobicContact CD1-CB 4.06Å; F107-A128 HydrophobicContact CG-CB 4.22Å; T126-A128 PolarHBondContact O-N 2.96Å; T126-A128 VanDerWaalsContact O-N 3.1Å; A128-P130 WeakPolarHBondContact O-CD 3.42Å; A128-E160 WeakPolarHBondContact CA-OE2 3.44Å; A128-E160 WeakPolarHBondContact O-CG 3.49Å
129G86.8Confident85.1Confident11 Ų1142.1 Ų42.111%0.11320%0.198CC..SBendtrans101.2-36.7179.200000118.1T126 S127 M161 Y179T126-G129 PolarHBondContact O-N 3.39Å; S127-G129 VanDerWaalsContact C-N 3.26Å; G129-M161 WeakPolarHBondContact CA-O 3.26Å; G129-Y179 WeakPolarHBondContact O-CE1 3.38Å; G129-Y179 PolarHBondContact O-OH 2.97Å
130P87.9Confident85.6Confident11 Ų1144.1 Ų44.17%0.07121%0.207CC..  trans-74.3162.818025.7-31.1000113.1T126 A128 Q145 L146 R147T126-P130 PolarHBondContact N-O 2.94Å; T126-P130 WeakPolarHBondContact OG1-CD 3.02Å; T126-P130 WeakPolarHBondContact OG1-CG 3.32Å; T126-P130 PolarHBondContact OG1-O 3.32Å; A128-P130 WeakPolarHBondContact O-CD 3.42Å; P130-Q145 HydrophobicContact CB-CG 3.55Å; P130-Q145 HydrophobicContact CG-CG 4.24Å; P130-L146 WeakPolarHBondContact CA-O 3.39Å; P130-L146 WeakPolarHBondContact CB-O 3.09Å; P130-R147 HydrophobicContact CB-CG 3.87Å
131I90.1Very high85.8Confident0 Ų039.6 Ų39.60%020%0.199CC..EExtended strand (participates in β ladder)trans-105.7121.3169.3-53.5165.1000108.3A123 V124 Q145 L146 V166 V175 F187A123-I131 HydrophobicContact CB-CG2 4.04Å; V124-I131 CarbonylContact O-C 3.49Å; V124-I131 WeakPolarHBondContact O-CA 3.16Å; I131-Q145 WeakPolarHBondContact O-CA 3.25Å; I131-L146 HydrophobicContact CB-CB 4.21Å; I131-L146 HydrophobicContact CB-CD1 4.32Å; I131-L146 HydrophobicContact CG2-CD1 4.37Å; I131-L146 PolarHBondContact N-O 3.18Å; I131-L146 PolarHBondContact O-N 3.42Å; I131-V166 HydrophobicContact CG2-CG2 4.46Å; I131-V175 HydrophobicContact CD1-CG1 4.33Å; I131-V175 HydrophobicContact CG2-CG1 4.45Å; I131-F187 HydrophobicContact CD1-CD2 3.8Å; I131-F187 HydrophobicContact CD1-CE2 3.44Å; I131-F187 VanDerWaalsContact CD1-CE2 3.44Å; I131-F187 HydrophobicContact CD1-CZ 4.31Å
132N89.3Confident85.7Confident4 Ų441.3 Ų41.32%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-92.9130.3176-66.3-18.2000109.8V124 Y134 F142 Q145V124-N132 PolarHBondContact N-O 3.1Å; V124-N132 PolarHBondContact O-N 3.3Å; N132-Y134 HydrophobicContact CB-CD2 4.24Å; N132-Y134 HydrophobicContact CB-CE2 3.41Å; N132-Y134 VanDerWaalsContact CB-CE2 3.41Å; N132-Y134 PolarHBondContact ND2-OH 3.38Å; N132-F142 HydrophobicContact CB-CD2 4.46Å; N132-F142 HydrophobicContact CB-CE2 4.17Å; N132-Q145 WeakPolarHBondContact OD1-CG 3.36Å; N132-Q145 PolarHBondContact OD1-NE2 2.9Å
133L89.6Confident85.3Confident1 Ų146.6 Ų46.61%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-96.4126.1170.3-60.6-173.5000109I122 A123 R143 S144 L146 W168 V175I122-L133 WeakPolarHBondContact O-CA 3.31Å; A123-L133 HydrophobicContact CB-CD2 3.65Å; L133-R143 WeakPolarHBondContact O-CA 3.48Å; L133-R143 WeakPolarHBondContact O-CB 3.25Å; L133-R143 PolarHBondContact O-N 2.93Å; L133-S144 PolarHBondContact N-O 3.24Å; L133-S144 PolarHBondContact O-N 2.96Å; L133-L146 HydrophobicContact CD1-CD1 4.05Å; L133-L146 HydrophobicContact CD1-CD2 4.34Å; L133-L146 HydrophobicContact CD1-CG 4.3Å; L133-L146 HydrophobicContact CD2-CD1 4.14Å; L133-L146 HydrophobicContact CG-CD1 4.05Å; L133-L146 HydrophobicContact CG-CG 4.27Å; L133-W168 HydrophobicContact CD2-CH2 4.16Å; L133-W168 HydrophobicContact CD2-CZ2 3.99Å; L133-V175 HydrophobicContact CD2-CG2 4.26Å
134Y88Confident85Confident2 Ų247.3 Ų47.31%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-114.7151.6173.4-59-91.7000110.4F100 Y121 I122 V124 N132 I140 S141 F142F100-Y134 HydrophobicContact CE1-CD1 4.31Å; F100-Y134 HydrophobicContact CE1-CD2 4.44Å; F100-Y134 HydrophobicContact CE1-CE1 4.13Å; F100-Y134 HydrophobicContact CE1-CE2 4.21Å; F100-Y134 HydrophobicContact CE1-CG 4.49Å; F100-Y134 HydrophobicContact CE2-CD1 4.42Å; F100-Y134 AromaticContact CZ-CD1 3.61Å; F100-Y134 HydrophobicContact CZ-CD1 3.61Å; F100-Y134 AromaticContact CZ-CE1 3.48Å; F100-Y134 HydrophobicContact CZ-CE1 3.48Å; F100-Y134 VanDerWaalsContact CZ-CE1 3.48Å; F100-Y134 HydrophobicContact CZ-CE2 4.36Å; F100-Y134 HydrophobicContact CZ-CG 4.17Å; F100-Y134 AromaticContact CZ-CZ 3.87Å; Y121-Y134 CarbonylContact C-O 3.52Å; Y121-Y134 WeakPolarHBondContact CA-O 3.22Å; I122-Y134 HydrophobicContact CG2-CD2 4.32Å; I122-Y134 HydrophobicContact CG2-CG 4.43Å; I122-Y134 PolarHBondContact N-O 3.41Å; I122-Y134 PolarHBondContact O-N 3.5Å; V124-Y134 HydrophobicContact CB-CD2 4.36Å; V124-Y134 HydrophobicContact CB-CE2 4Å; V124-Y134 HydrophobicContact CG2-CD2 3.74Å; V124-Y134 HydrophobicContact CG2-CE2 3.79Å; N132-Y134 HydrophobicContact CB-CD2 4.24Å; N132-Y134 HydrophobicContact CB-CE2 3.41Å; N132-Y134 VanDerWaalsContact CB-CE2 3.41Å; N132-Y134 PolarHBondContact ND2-OH 3.38Å; Y134-I140 HydrophobicContact CD1-CG2 4.14Å; Y134-I140 HydrophobicContact CG-CG2 4.08Å; Y134-S141 CarbonylContact C-O 3.58Å; Y134-S141 VanDerWaalsContact CA-O 3.23Å; Y134-S141 WeakPolarHBondContact CA-O 3.24Å; Y134-S141 WeakPolarHBondContact CB-O 3.45Å; Y134-F142 HydrophobicContact CD1-CB 4.02Å; Y134-F142 HydrophobicContact CD1-CD2 4.4Å; Y134-F142 HydrophobicContact CE1-CB 3.87Å; Y134-F142 AromaticContact CE1-CD2 3.87Å; Y134-F142 HydrophobicContact CE1-CD2 3.87Å; Y134-F142 HydrophobicContact CE1-CG 4.38Å
135K84.9Confident84.7Confident66 Ų6649.2 Ų49.229%0.28724%0.241SC..EExtended strand (participates in β ladder)trans-95.6122172.6-164.3-170-171.2-170.70109R120 Y121 Q137 I140 S141R120-K135 CarbonylContact O-C 3.59Å; R120-K135 WeakPolarHBondContact O-CA 3.46Å; Y121-K135 HydrophobicContact CD1-CB 4.26Å; Y121-K135 HydrophobicContact CD1-CG 4.21Å; Y121-K135 HydrophobicContact CE1-CB 4.23Å; Y121-K135 HydrophobicContact CE1-CG 3.83Å; K135-Q137 HydrophobicContact CD-CG 3.95Å; K135-Q137 HydrophobicContact CG-CG 3.99Å; K135-Q137 VanDerWaalsContact NZ-CD 3.26Å; K135-Q137 VanDerWaalsContact NZ-OE1 3.1Å; K135-Q137 PolarHBondContact O-N 3.06Å; K135-I140 WeakPolarHBondContact O-CA 2.97Å; K135-S141 PolarHBondContact N-O 2.79Å; K135-S141 PolarHBondContact O-N 3.37Å; K135-S141 VanDerWaalsContact O-N 3.1Å
136C79.9Confident84.4Confident25 Ų2549.2 Ų49.217%0.16924%0.241CC..EExtended strand (participates in β ladder)trans-92.296.4176.9-60.60000109.4R120 I122R120-C136 PolarHBondContact O-N 2.89Å; I122-C136 VanDerWaalsContact CG2-SG 3.5Å
137Q74.9Confident84.2Confident125 Ų12555 Ų5558%0.58426%0.263SS*.SBendtrans-117.4-140.2170.8-63.1-170.6-58.500109.7K135 Q139K135-Q137 HydrophobicContact CD-CG 3.95Å; K135-Q137 HydrophobicContact CG-CG 3.99Å; K135-Q137 VanDerWaalsContact NZ-CD 3.26Å; K135-Q137 VanDerWaalsContact NZ-OE1 3.1Å; K135-Q137 PolarHBondContact O-N 3.06Å; Q137-Q139 PolarHBondContact N-O 3.22Å; Q137-Q139 PolarHBondContact O-N 2.9Å
138K71.4Confident83.9Confident219 Ų21955.7 Ų55.795%0.95227%0.266SS*.SBendtrans-61.7-34.3168.1-68.9-174178-177.60111.5
139Q77.3Confident83Confident164 Ų16457 Ų5777%0.76627%0.274SS*.SBendtrans-122.4152.7171.5-69.9177.1-25.500108.8Q137Q137-Q139 PolarHBondContact N-O 3.22Å; Q137-Q139 PolarHBondContact O-N 2.9Å
140I82.5Confident81.7Confident47 Ų4761.9 Ų61.924%0.24130%0.298CS..EExtended strand (participates in β ladder)trans-88.3115.2174.1-60.6171.4000107.2F79 F100 Y134 K135F79-I140 HydrophobicContact CD2-CD1 3.9Å; F79-I140 HydrophobicContact CE1-CD1 4.45Å; F79-I140 HydrophobicContact CE2-CD1 3.27Å; F79-I140 HydrophobicContact CZ-CD1 3.6Å; F100-I140 HydrophobicContact CB-CD1 3.98Å; F100-I140 HydrophobicContact CD2-CB 3.71Å; F100-I140 HydrophobicContact CD2-CD1 3.98Å; F100-I140 HydrophobicContact CD2-CG1 4.44Å; F100-I140 HydrophobicContact CD2-CG2 3.73Å; F100-I140 HydrophobicContact CE1-CG2 4.3Å; F100-I140 HydrophobicContact CE2-CB 3.78Å; F100-I140 HydrophobicContact CE2-CG2 3.43Å; F100-I140 VanDerWaalsContact CE2-CG2 3.43Å; F100-I140 HydrophobicContact CG-CB 4.47Å; F100-I140 HydrophobicContact CG-CD1 3.97Å; F100-I140 HydrophobicContact CG-CG2 4.29Å; F100-I140 HydrophobicContact CZ-CG2 3.76Å; Y134-I140 HydrophobicContact CD1-CG2 4.14Å; Y134-I140 HydrophobicContact CG-CG2 4.08Å; K135-I140 WeakPolarHBondContact O-CA 2.97Å
141S83.4Confident80.1Confident55 Ų5564 Ų6439%0.38531%0.307SS..EExtended strand (participates in β ladder)trans-116.9144.4179.160.10000111.4Y134 K135Y134-S141 CarbonylContact C-O 3.58Å; Y134-S141 VanDerWaalsContact CA-O 3.23Å; Y134-S141 WeakPolarHBondContact CA-O 3.24Å; Y134-S141 WeakPolarHBondContact CB-O 3.45Å; K135-S141 PolarHBondContact N-O 2.79Å; K135-S141 PolarHBondContact O-N 3.37Å; K135-S141 VanDerWaalsContact O-N 3.1Å
142F84.2Confident77.9Confident91 Ų9167.6 Ų67.640%0.39933%0.333SS..EExtended strand (participates in β ladder)trans-65.6137.3174.5176.1-96.5000110.4L103 N132 Y134 S144 Q145L103-F142 HydrophobicContact CD1-CB 3.75Å; L103-F142 HydrophobicContact CD1-CG 4.22Å; N132-F142 HydrophobicContact CB-CD2 4.46Å; N132-F142 HydrophobicContact CB-CE2 4.17Å; Y134-F142 HydrophobicContact CD1-CB 4.02Å; Y134-F142 HydrophobicContact CD1-CD2 4.4Å; Y134-F142 HydrophobicContact CE1-CB 3.87Å; Y134-F142 AromaticContact CE1-CD2 3.87Å; Y134-F142 HydrophobicContact CE1-CD2 3.87Å; Y134-F142 HydrophobicContact CE1-CG 4.38Å; F142-S144 VanDerWaalsContact CE2-O 3.3Å; F142-S144 WeakPolarHBondContact CE2-O 3.33Å; F142-Q145 HydrophobicContact CE2-CB 4.2Å; F142-Q145 HydrophobicContact CZ-CB 3.86Å
143R82.7Confident75.5Confident112 Ų11272.8 Ų72.842%0.42337%0.367SS..EExtended strand (participates in β ladder)trans-110.9-58.9178.8-179.3-175.1-178.1-177.7-4.8111.4Y121 L133Y121-R143 PolarHBondContact OH-NH1 3.47Å; L133-R143 WeakPolarHBondContact O-CA 3.48Å; L133-R143 WeakPolarHBondContact O-CB 3.25Å; L133-R143 PolarHBondContact O-N 2.93Å
144S84.8Confident73.1Confident15 Ų1581.2 Ų81.211%0.10541%0.406CS..EExtended strand (participates in β ladder)trans-159.1167.8-175.459.10000110.6L133 F142L133-S144 PolarHBondContact N-O 3.24Å; L133-S144 PolarHBondContact O-N 2.96Å; F142-S144 VanDerWaalsContact CE2-O 3.3Å; F142-S144 WeakPolarHBondContact CE2-O 3.33Å
145Q85.9Confident70.9Confident39 Ų3985.2 Ų85.218%0.18244%0.435CS..EExtended strand (participates in β ladder)trans-127.5131.5178.4-179.3170.561.400109.2P130 I131 N132 F142 R147P130-Q145 HydrophobicContact CB-CG 3.55Å; P130-Q145 HydrophobicContact CG-CG 4.24Å; I131-Q145 WeakPolarHBondContact O-CA 3.25Å; N132-Q145 WeakPolarHBondContact OD1-CG 3.36Å; N132-Q145 PolarHBondContact OD1-NE2 2.9Å; F142-Q145 HydrophobicContact CE2-CB 4.2Å; F142-Q145 HydrophobicContact CZ-CB 3.86Å; Q145-R147 HydrophobicContact CG-CG 4.35Å
146L86.3Confident68.8Low0 Ų087.6 Ų87.60%046%0.46CS..EExtended strand (participates in β ladder)trans-101.6115178.6-50.1171.2000107.6P130 I131 L133 V175 F187 C198P130-L146 WeakPolarHBondContact CA-O 3.39Å; P130-L146 WeakPolarHBondContact CB-O 3.09Å; I131-L146 HydrophobicContact CB-CB 4.21Å; I131-L146 HydrophobicContact CB-CD1 4.32Å; I131-L146 HydrophobicContact CG2-CD1 4.37Å; I131-L146 PolarHBondContact N-O 3.18Å; I131-L146 PolarHBondContact O-N 3.42Å; L133-L146 HydrophobicContact CD1-CD1 4.05Å; L133-L146 HydrophobicContact CD1-CD2 4.34Å; L133-L146 HydrophobicContact CD1-CG 4.3Å; L133-L146 HydrophobicContact CD2-CD1 4.14Å; L133-L146 HydrophobicContact CG-CD1 4.05Å; L133-L146 HydrophobicContact CG-CG 4.27Å; L146-V175 HydrophobicContact CD1-CB 4.08Å; L146-V175 HydrophobicContact CD1-CG1 4.29Å; L146-V175 HydrophobicContact CD1-CG2 4.23Å; L146-F187 HydrophobicContact CB-CB 4.34Å; L146-F187 HydrophobicContact CB-CD1 3.84Å; L146-F187 HydrophobicContact CB-CD2 4.38Å; L146-F187 HydrophobicContact CB-CE1 4.15Å; L146-F187 HydrophobicContact CB-CG 3.94Å; L146-F187 HydrophobicContact CD1-CB 3.73Å; L146-F187 HydrophobicContact CD1-CD2 4.29Å; L146-F187 HydrophobicContact CD1-CG 4.02Å; L146-F187 HydrophobicContact CD2-CB 4.24Å; L146-F187 HydrophobicContact CG-CB 4.32Å; L146-F187 HydrophobicContact CG-CG 4.43Å; L146-C198 HydrophobicContact CD2-CB 4.36Å; L146-C198 VanDerWaalsContact CD2-SG 3.56Å
147R85Confident67.1Low122 Ų12290.3 Ų90.346%0.4648%0.479SS..BIsolated β-bridgetrans-113.6146.3174.9-77.4-176.3-179.8120.2-4.1110P130 Q145P130-R147 HydrophobicContact CB-CG 3.87Å; Q145-R147 HydrophobicContact CG-CG 4.35Å
148V80.8Confident65.6Low38 Ų3890.4 Ų90.423%0.2349%0.493CS..  trans-78.8119171.8-177.10000108.5I151 M161 Y179 V185 F187V148-I151 HydrophobicContact CG1-CB 4.28Å; V148-I151 HydrophobicContact CG1-CD1 3.6Å; V148-I151 HydrophobicContact CG1-CG1 3.6Å; V148-M161 HydrophobicContact CB-CE 4.08Å; V148-M161 HydrophobicContact CG1-CE 4.29Å; V148-M161 HydrophobicContact CG2-CE 3.55Å; V148-Y179 HydrophobicContact CG2-CE2 4.34Å; V148-V185 HydrophobicContact CG2-CB 4.46Å; V148-V185 HydrophobicContact CG2-CG1 4.15Å; V148-V185 HydrophobicContact CG2-CG2 4.11Å; V148-F187 HydrophobicContact CG2-CE1 4.04Å; V148-F187 HydrophobicContact CG2-CZ 3.57Å
149S67.9Low64.7Low50 Ų5086.3 Ų86.335%0.3548%0.482SS..  trans-91.9-27.5179.446.70000113.1N200S149-N200 PolarHBondContact OG-OD1 2.86Å
150N58.1Low63.9Low114 Ų11484.1 Ų84.161%0.6147%0.471SS*.  trans-112.616.3-160-71.3-16000116.8S152N150-S152 PolarHBondContact O-N 2.9Å
151I56Low63.8Low54 Ų5483.7 Ų83.728%0.27747%0.469SS..  trans-89.9110.8173.4-64.7174.6000108.4V148 M161 I202V148-I151 HydrophobicContact CG1-CB 4.28Å; V148-I151 HydrophobicContact CG1-CD1 3.6Å; V148-I151 HydrophobicContact CG1-CG1 3.6Å; I151-M161 HydrophobicContact CD1-CE 3.57Å; I151-M161 HydrophobicContact CD1-SD 3.23Å; I151-M161 WeakPolarHBondContact CD1-SD 3.27Å; I151-I202 HydrophobicContact CD1-CD1 4.31Å; I151-I202 HydrophobicContact CG1-CD1 3.67Å
152S43.7Very low64Low77 Ų7784.9 Ų84.954%0.53847%0.468SS..  trans-53.5124.3168.248.90000109.1N150 E154N150-S152 PolarHBondContact O-N 2.9Å; S152-E154 PolarHBondContact O-N 3.46Å
153P37.9Very low64.4Low113 Ų11380.6 Ų80.673%0.73445%0.449SS*.THydrogen-bonded Turntrans-72.531-17730-34.7000113.6S155 S156P153-S155 CarbonylContact O-C 3.45Å; P153-S155 PolarHBondContact O-N 2.92Å; P153-S155 VanDerWaalsContact O-N 3.13Å; P153-S156 PolarHBondContact O-N 3.23Å
154E39.6Very low64.8Low178 Ų17880.5 Ų80.583%0.83245%0.449SS*.THydrogen-bonded Turntrans-66.8-9.5178.8-70.4-166.7166.300113.4S152 S156S152-E154 PolarHBondContact O-N 3.46Å; E154-S156 VanDerWaalsContact C-N 3.34Å; E154-S156 PolarHBondContact O-N 3.28Å
155S42.4Very low65.2Low86 Ų8680.2 Ų80.260%0.60145%0.447SS*.SBendtrans-9073.5158.2660000110.1P153 S157P153-S155 CarbonylContact O-C 3.45Å; P153-S155 PolarHBondContact O-N 2.92Å; P153-S155 VanDerWaalsContact O-N 3.13Å; S155-S157 PolarHBondContact O-N 3.22Å
156S39.3Very low65.7Low116 Ų11678.9 Ų78.981%0.81144%0.442SS*.  trans-67.179.2170.558.60000110.8P153 E154P153-S156 PolarHBondContact O-N 3.23Å; E154-S156 VanDerWaalsContact C-N 3.34Å; E154-S156 PolarHBondContact O-N 3.28Å
157S44.4Very low66Low82 Ų8279.7 Ų79.757%0.57345%0.447SS*.SBendtrans-143.3138.1150.867.20000106.7S155 N159S155-S157 PolarHBondContact O-N 3.22Å; S157-N159 PolarHBondContact O-N 2.88Å
158S43.9Very low66.4Low126 Ų12674.1 Ų74.188%0.88143%0.426SS*.SBendtrans-59.620.3-171.752.50000116.5E160S158-E160 PolarHBondContact O-N 2.94Å
159N51.8Low66.9Low134 Ų13472.3 Ų72.372%0.71742%0.415SS*.  trans-86.291.1172.3-71.1-16.3000108.5S157 M161S157-N159 PolarHBondContact O-N 2.88Å; N159-M161 PolarHBondContact O-N 3.38Å
160E61.6Low67.9Low117 Ų11770.3 Ų70.355%0.54740%0.4SS..  trans-42.1129.8168.7-152.9167-159.300109.6A128 S158 Q162A128-E160 WeakPolarHBondContact CA-OE2 3.44Å; A128-E160 WeakPolarHBondContact O-CG 3.49Å; S158-E160 PolarHBondContact O-N 2.94Å; E160-Q162 WeakPolarHBondContact O-CG 3.14Å; E160-Q162 PolarHBondContact O-N 2.89Å
161M80Confident69.2Low38 Ų3866.9 Ų66.919%0.18738%0.382CS..  trans-67101.2-172-166.2-175.472.800109.8G129 V148 I151 N159 Y179 N181G129-M161 WeakPolarHBondContact CA-O 3.26Å; V148-M161 HydrophobicContact CB-CE 4.08Å; V148-M161 HydrophobicContact CG1-CE 4.29Å; V148-M161 HydrophobicContact CG2-CE 3.55Å; I151-M161 HydrophobicContact CD1-CE 3.57Å; I151-M161 HydrophobicContact CD1-SD 3.23Å; I151-M161 WeakPolarHBondContact CD1-SD 3.27Å; N159-M161 PolarHBondContact O-N 3.38Å; M161-Y179 HydrophobicContact CB-CD1 4.22Å; M161-Y179 HydrophobicContact CE-CD1 3.34Å; M161-Y179 HydrophobicContact CE-CD2 3.73Å; M161-Y179 HydrophobicContact CE-CE1 3.33Å; M161-Y179 HydrophobicContact CE-CE2 3.74Å; M161-Y179 HydrophobicContact CE-CG 3.52Å; M161-Y179 HydrophobicContact CG-CD1 3.5Å; M161-Y179 VanDerWaalsContact CG-CD1 3.5Å; M161-Y179 HydrophobicContact CG-CE1 4.27Å; M161-Y179 HydrophobicContact CG-CG 3.81Å; M161-Y179 WeakPolarHBondContact O-CD1 3.5Å; M161-Y179 WeakPolarHBondContact O-CE1 3.49Å; M161-Y179 HydrophobicContact SD-CD1 4.02Å; M161-Y179 HydrophobicContact SD-CD2 4.49Å; M161-Y179 HydrophobicContact SD-CG 3.95Å; M161-N181 PolarHBondContact SD-ND2 2.92Å
162Q88.2Confident70.7Confident81 Ų8165.2 Ų65.238%0.37937%0.374SS..  trans-89.6127.2-172.3-76.6177.19.100112S127 E160 R164 Y179 S180S127-Q162 VanDerWaalsContact O-CG 3.28Å; S127-Q162 WeakPolarHBondContact O-CG 3.26Å; S127-Q162 PolarHBondContact O-NE2 3.27Å; E160-Q162 WeakPolarHBondContact O-CG 3.14Å; E160-Q162 PolarHBondContact O-N 2.89Å; Q162-R164 PolarHBondContact O-N 2.93Å; Q162-Y179 VanDerWaalsContact C-CD1 3.41Å; Q162-Y179 CarbonylContact O-C 3.49Å; Q162-Y179 VanDerWaalsContact O-CA 3.31Å; Q162-Y179 WeakPolarHBondContact O-CA 3.48Å; Q162-S180 PolarHBondContact N-OG 2.76Å; Q162-S180 PolarHBondContact O-N 2.81Å
163P92.4Very high72.6Confident0 Ų064 Ų640%036%0.357CS..EExtended strand (participates in β ladder)trans-67.7123.317127.8-31.8000108.7T110 T126 S177 Y179T110-P163 WeakPolarHBondContact CB-O 3.47Å; T110-P163 PolarHBondContact OG1-O 3.44Å; T126-P163 WeakPolarHBondContact O-CD 3.21Å; T126-P163 WeakPolarHBondContact O-CG 3.19Å; P163-S177 WeakPolarHBondContact CB-OG 3.27Å; P163-Y179 HydrophobicContact CB-CD1 4.19Å; P163-Y179 HydrophobicContact CB-CE1 3.91Å; P163-Y179 HydrophobicContact CG-CE1 4.29Å
164R91.6Very high75.1Confident110 Ų11058.8 Ų58.842%0.41532%0.324SS..EExtended strand (participates in β ladder)trans-96-29.9175.8-86.6-165.8155.395.8-1.9112.7C111 Q162 G178 C219C111-R164 WeakPolarHBondContact CB-O 3.47Å; Q162-R164 PolarHBondContact O-N 2.93Å; R164-G178 PolarHBondContact N-O 3.32Å; R164-C219 WeakPolarHBondContact CB-O 3.35Å; R164-C219 WeakPolarHBondContact CD-O 3.45Å
165C93.3Very high77.6Confident9 Ų950.3 Ų50.36%0.06128%0.284CS..EExtended strand (participates in β ladder)trans-142.9140.8-169.259.60000107.6S177 G178 C219 L222C165-S177 VanDerWaalsContact O-CA 3.26Å; C165-S177 WeakPolarHBondContact O-CA 3.11Å; C165-S177 PolarHBondContact O-OG 3.26Å; C165-G178 PolarHBondContact N-O 3.5Å; C165-G178 PolarHBondContact O-N 2.81Å; C165-G178 VanDerWaalsContact SG-C 3.52Å; C165-G178 WeakPolarHBondContact SG-CA 3.03Å; C165-G178 PolarHBondContact SG-N 3.45Å; C165-G178 PolarHBondContact SG-O 2.81Å; C165-C219 WeakPolarHBondContact CB-SG 3.3Å; C165-C219 WeakPolarHBondContact SG-CB 3.35Å; C165-C219 CovalentContact SG-SG 2.08Å; C165-C219 PolarHBondContact SG-SG 2.7Å; C165-L222 HydrophobicContact CB-CB 3.65Å
166V94.8Very high80Confident12 Ų1246.2 Ų46.27%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-141.7141.5177.163.90000109.3C111 I112 A113 A123 I131 V175 A176C111-V166 HydrophobicContact CB-CG1 4.06Å; I112-V166 VanDerWaalsContact C-CG1 3.47Å; A113-V166 HydrophobicContact CB-CG1 3.75Å; A113-V166 HydrophobicContact CB-CG2 4.49Å; A113-V166 WeakPolarHBondContact CB-O 3.45Å; A123-V166 HydrophobicContact CB-CG2 3.97Å; I131-V166 HydrophobicContact CG2-CG2 4.46Å; V166-V175 HydrophobicContact CG2-CG1 3.61Å; V166-A176 CarbonylContact C-O 3.58Å; V166-A176 WeakPolarHBondContact CA-O 3.26Å
167S94.1Very high82.7Confident16 Ų1640.7 Ų40.711%0.11222%0.217CC..EExtended strand (participates in β ladder)trans-149.4160.9175.6-166.50000111.1A176 T224S167-A176 PolarHBondContact N-O 3.27Å; S167-A176 PolarHBondContact O-N 3.15Å; S167-T224 VanDerWaalsContact OG-CG2 3.3Å; S167-T224 WeakPolarHBondContact OG-CG2 3.29Å; S167-T224 PolarHBondContact OG-OG1 2.85Å
168W92.6Very high85Confident5 Ų536.8 Ų36.82%0.01919%0.189CC..EExtended strand (participates in β ladder)trans-103.5137.3174.9-6676.8000109.6A113 F114 P115 A123 L133 D172 V175 A189 T224A113-W168 PolarHBondContact O-NE1 2.86Å; F114-W168 VanDerWaalsContact O-CD1 3.23Å; P115-W168 HydrophobicContact CB-CD2 3.76Å; P115-W168 HydrophobicContact CB-CE3 3.89Å; P115-W168 HydrophobicContact CB-CG 4.1Å; P115-W168 HydrophobicContact CB-CZ2 4.48Å; P115-W168 HydrophobicContact CB-CZ3 4.28Å; P115-W168 HydrophobicContact CG-CZ2 4.46Å; A123-W168 HydrophobicContact CB-CZ2 3.9Å; L133-W168 HydrophobicContact CD2-CH2 4.16Å; L133-W168 HydrophobicContact CD2-CZ2 3.99Å; W168-D172 HydrophobicContact CE3-CB 3.96Å; W168-D172 WeakPolarHBondContact CZ3-O 3.49Å; W168-V175 HydrophobicContact CD2-CG2 4.02Å; W168-V175 HydrophobicContact CE3-CG2 3.85Å; W168-V175 HydrophobicContact CH2-CG2 3.89Å; W168-V175 HydrophobicContact CZ2-CG2 4.04Å; W168-V175 HydrophobicContact CZ3-CG2 3.8Å; W168-A189 HydrophobicContact CE3-CB 4.33Å; W168-A189 HydrophobicContact CH2-CB 4.23Å; W168-A189 HydrophobicContact CZ3-CB 3.55Å; W168-T224 WeakPolarHBondContact O-CG2 3.37Å; W168-T224 PolarHBondContact O-OG1 2.98Å; W168-T224 VanDerWaalsContact O-OG1 3.05Å
169I91.5Very high87.2Confident0 Ų030.9 Ų30.90%015%0.148CC..EExtended strand (participates in β ladder)trans-140.7168.7-176-163.4161.6000110.9N171 D172 R173 V174 A176 T224 N229 L232 L246I169-N171 PolarHBondContact O-N 3.34Å; I169-D172 PolarHBondContact O-N 2.84Å; I169-R173 PolarHBondContact O-N 3.49Å; I169-V174 HydrophobicContact CG2-CB 3.74Å; I169-V174 HydrophobicContact CG2-CG1 3.78Å; I169-V174 PolarHBondContact N-O 3.3Å; I169-V174 PolarHBondContact O-N 3.22Å; I169-V174 VanDerWaalsContact O-N 3.16Å; I169-A176 HydrophobicContact CG2-CB 4.41Å; I169-T224 HydrophobicContact CB-CG2 3.94Å; I169-T224 HydrophobicContact CD1-CG2 3.96Å; I169-T224 HydrophobicContact CG1-CG2 4.1Å; I169-N229 WeakPolarHBondContact CG1-O 3.4Å; I169-L232 HydrophobicContact CD1-CB 3.53Å; I169-L232 HydrophobicContact CD1-CD1 4.07Å; I169-L232 HydrophobicContact CD1-CG 4.27Å; I169-L246 HydrophobicContact CD1-CD1 3.77Å; I169-L246 HydrophobicContact CD1-CG 4.41Å
170L88.4Confident89Confident8 Ų826.1 Ų26.14%0.04213%0.125CC..THydrogen-bonded Turntrans54.852.4179.5-58.2179.2000111.7D172 R173 V174 N229 L246 W248 I250L170-D172 PolarHBondContact O-N 3.35Å; L170-R173 VanDerWaalsContact O-CB 3.23Å; L170-R173 WeakPolarHBondContact O-CB 3.44Å; L170-R173 WeakPolarHBondContact O-CD 3.06Å; L170-R173 WeakPolarHBondContact O-CG 3.3Å; L170-R173 PolarHBondContact O-N 3.4Å; L170-V174 HydrophobicContact CD1-CB 4.4Å; L170-V174 HydrophobicContact CD1-CG2 3.92Å; L170-N229 WeakPolarHBondContact CA-O 2.92Å; L170-N229 PolarHBondContact N-O 3.5Å; L170-L246 HydrophobicContact CD2-CB 4.15Å; L170-L246 WeakPolarHBondContact CD2-O 3.4Å; L170-W248 HydrophobicContact CD1-CB 4.33Å; L170-W248 HydrophobicContact CD1-CE3 3.91Å; L170-I250 HydrophobicContact CD1-CD1 3.93Å; L170-I250 HydrophobicContact CD1-CG1 3.91Å
171N85.4Confident90.1Very high42 Ų4222 Ų2223%0.22511%0.107CC..THydrogen-bonded Turntrans59.943.9-178.8-57.6-25.1000113.4R117 I169 R173 N229R117-N171 PolarHBondContact NH1-OD1 2.83Å; R117-N171 PolarHBondContact NH2-OD1 3.38Å; I169-N171 PolarHBondContact O-N 3.34Å; N171-R173 PolarHBondContact O-N 3.37Å; N171-N229 WeakPolarHBondContact OD1-CB 3Å; N171-N229 PolarHBondContact OD1-ND2 3.19Å
172D87.5Confident90.4Very high19 Ų1920.2 Ų20.210%0.10210%0.098CC..THydrogen-bonded Turntrans63.615-177.4-52.8-32.6000114.6P115 Q116 R117 S118 W168 I169 L170P115-D172 WeakPolarHBondContact CA-OD1 3.15Å; P115-D172 HydrophobicContact CB-CB 3.77Å; P115-D172 WeakPolarHBondContact CB-OD2 3.23Å; Q116-D172 PolarHBondContact N-OD1 2.81Å; Q116-D172 PolarHBondContact N-OD2 3.36Å; R117-D172 WeakPolarHBondContact CA-OD2 3.43Å; R117-D172 VanDerWaalsContact CB-OD2 3.3Å; R117-D172 WeakPolarHBondContact CB-OD2 3.41Å; R117-D172 PolarHBondContact N-OD2 3.4Å; S118-D172 PolarHBondContact N-OD2 2.85Å; S118-D172 VanDerWaalsContact N-OD2 3.16Å; W168-D172 HydrophobicContact CE3-CB 3.96Å; W168-D172 WeakPolarHBondContact CZ3-O 3.49Å; I169-D172 PolarHBondContact O-N 2.84Å; L170-D172 PolarHBondContact O-N 3.35Å
173R84.3Confident90.4Very high52 Ų5216.8 Ų16.820%0.1968%0.083CC..THydrogen-bonded Turntrans-80-29.2177.4-64.3178.5-169.1172.112.2112.6I169 L170 N171 A189 W248 E562I169-R173 PolarHBondContact O-N 3.49Å; L170-R173 VanDerWaalsContact O-CB 3.23Å; L170-R173 WeakPolarHBondContact O-CB 3.44Å; L170-R173 WeakPolarHBondContact O-CD 3.06Å; L170-R173 WeakPolarHBondContact O-CG 3.3Å; L170-R173 PolarHBondContact O-N 3.4Å; N171-R173 PolarHBondContact O-N 3.37Å; R173-A189 WeakPolarHBondContact O-CB 3.46Å; R173-A189 PolarHBondContact O-N 3.05Å; R173-W248 VanDerWaalsContact NH1-CG 3.35Å; R173-E562 IonicContact CZ-OE1 2.7Å; R173-E562 IonicContact CZ-OE2 3.54Å; R173-E562 IonicContact NH2-OE1 3.47Å; R173-E562 PolarHBondContact NH2-OE1 2.69Å; R173-E562 IonicContact NH2-OE2 2.6Å; R173-E562 PolarHBondContact NH2-OE2 3.31Å
174V89.5Confident90.3Very high4 Ų416.8 Ų16.82%0.0248%0.083CC..EExtended strand (participates in β ladder)trans-122.6136.2-175.2173.70000109.8I169 L170 L186 F187 W248I169-V174 HydrophobicContact CG2-CB 3.74Å; I169-V174 HydrophobicContact CG2-CG1 3.78Å; I169-V174 PolarHBondContact N-O 3.3Å; I169-V174 PolarHBondContact O-N 3.22Å; I169-V174 VanDerWaalsContact O-N 3.16Å; L170-V174 HydrophobicContact CD1-CB 4.4Å; L170-V174 HydrophobicContact CD1-CG2 3.92Å; V174-L186 HydrophobicContact CG1-CB 3.79Å; V174-L186 HydrophobicContact CG1-CD2 4.23Å; V174-L186 HydrophobicContact CG1-CG 4.45Å; V174-F187 CarbonylContact C-O 3.58Å; V174-F187 VanDerWaalsContact CA-O 3.29Å; V174-F187 WeakPolarHBondContact CA-O 3.49Å; V174-F187 WeakPolarHBondContact CG1-O 3.43Å; V174-W248 HydrophobicContact CG2-CE3 4.34Å; V174-W248 HydrophobicContact CG2-CZ3 4Å
175V92.2Very high90.3Very high0 Ų011.6 Ų11.60%06%0.063CC..EExtended strand (participates in β ladder)trans-99.8115.1170.4-178.90000107.3A123 I131 L133 L146 V166 W168 F187 A189A123-V175 HydrophobicContact CB-CG1 4.21Å; I131-V175 HydrophobicContact CD1-CG1 4.33Å; I131-V175 HydrophobicContact CG2-CG1 4.45Å; L133-V175 HydrophobicContact CD2-CG2 4.26Å; L146-V175 HydrophobicContact CD1-CB 4.08Å; L146-V175 HydrophobicContact CD1-CG1 4.29Å; L146-V175 HydrophobicContact CD1-CG2 4.23Å; V166-V175 HydrophobicContact CG2-CG1 3.61Å; W168-V175 HydrophobicContact CD2-CG2 4.02Å; W168-V175 HydrophobicContact CE3-CG2 3.85Å; W168-V175 HydrophobicContact CH2-CG2 3.89Å; W168-V175 HydrophobicContact CZ2-CG2 4.04Å; W168-V175 HydrophobicContact CZ3-CG2 3.8Å; V175-F187 PolarHBondContact N-O 2.94Å; V175-F187 PolarHBondContact O-N 3.37Å; V175-A189 HydrophobicContact CG2-CB 4.02Å
176A94.2Very high90.2Very high0 Ų011.2 Ų11.20%06%0.061CC..EExtended strand (participates in β ladder)trans-94.1134.8173.400000109.2V166 S167 I169 V185 L186 L222 L232V166-A176 CarbonylContact C-O 3.58Å; V166-A176 WeakPolarHBondContact CA-O 3.26Å; S167-A176 PolarHBondContact N-O 3.27Å; S167-A176 PolarHBondContact O-N 3.15Å; I169-A176 HydrophobicContact CG2-CB 4.41Å; A176-V185 WeakPolarHBondContact CA-O 3.21Å; A176-L186 HydrophobicContact CB-CD2 3.45Å; A176-L186 VanDerWaalsContact CB-CD2 3.45Å; A176-L222 HydrophobicContact CB-CD2 3.92Å; A176-L222 WeakPolarHBondContact O-CD2 3.07Å; A176-L232 HydrophobicContact CB-CD1 4.02Å; A176-L232 HydrophobicContact CB-CD2 3.98Å
177S94.1Very high89.9Confident0 Ų010.7 Ų10.70%06%0.057CC..EExtended strand (participates in β ladder)trans-137.3135.8173.1-174.70000111.1P163 C165 I184 V185P163-S177 WeakPolarHBondContact CB-OG 3.27Å; C165-S177 VanDerWaalsContact O-CA 3.26Å; C165-S177 WeakPolarHBondContact O-CA 3.11Å; C165-S177 PolarHBondContact O-OG 3.26Å; S177-I184 CarbonylContact O-C 3.43Å; S177-I184 WeakPolarHBondContact O-CA 3.39Å; S177-V185 PolarHBondContact N-O 3.28Å; S177-V185 PolarHBondContact O-N 2.82Å
178G93.4Very high89.5Confident0 Ų011.8 Ų11.80%06%0.062CC..EExtended strand (participates in β ladder)trans-105.3142.3171.300000111.3R164 C165 S183 I184R164-G178 PolarHBondContact N-O 3.32Å; C165-G178 PolarHBondContact N-O 3.5Å; C165-G178 PolarHBondContact O-N 2.81Å; C165-G178 VanDerWaalsContact SG-C 3.52Å; C165-G178 WeakPolarHBondContact SG-CA 3.03Å; C165-G178 PolarHBondContact SG-N 3.45Å; C165-G178 PolarHBondContact SG-O 2.81Å; G178-S183 WeakPolarHBondContact CA-O 3.39Å; G178-I184 VanDerWaalsContact CA-CD1 3.42Å
179Y91.2Very high89Confident1 Ų112 Ų120%0.0046%0.064CC..EExtended strand (participates in β ladder)trans-111.1167.4-168.8-74.8-91.8000112.5G129 V148 M161 Q162 P163 N181 G182 S183 V185 C219G129-Y179 WeakPolarHBondContact O-CE1 3.38Å; G129-Y179 PolarHBondContact O-OH 2.97Å; V148-Y179 HydrophobicContact CG2-CE2 4.34Å; M161-Y179 HydrophobicContact CB-CD1 4.22Å; M161-Y179 HydrophobicContact CE-CD1 3.34Å; M161-Y179 HydrophobicContact CE-CD2 3.73Å; M161-Y179 HydrophobicContact CE-CE1 3.33Å; M161-Y179 HydrophobicContact CE-CE2 3.74Å; M161-Y179 HydrophobicContact CE-CG 3.52Å; M161-Y179 HydrophobicContact CG-CD1 3.5Å; M161-Y179 VanDerWaalsContact CG-CD1 3.5Å; M161-Y179 HydrophobicContact CG-CE1 4.27Å; M161-Y179 HydrophobicContact CG-CG 3.81Å; M161-Y179 WeakPolarHBondContact O-CD1 3.5Å; M161-Y179 WeakPolarHBondContact O-CE1 3.49Å; M161-Y179 HydrophobicContact SD-CD1 4.02Å; M161-Y179 HydrophobicContact SD-CD2 4.49Å; M161-Y179 HydrophobicContact SD-CG 3.95Å; Q162-Y179 VanDerWaalsContact C-CD1 3.41Å; Q162-Y179 CarbonylContact O-C 3.49Å; Q162-Y179 VanDerWaalsContact O-CA 3.31Å; Q162-Y179 WeakPolarHBondContact O-CA 3.48Å; P163-Y179 HydrophobicContact CB-CD1 4.19Å; P163-Y179 HydrophobicContact CB-CE1 3.91Å; P163-Y179 HydrophobicContact CG-CE1 4.29Å; Y179-N181 VanDerWaalsContact CB-OD1 3.23Å; Y179-N181 WeakPolarHBondContact CB-OD1 3.2Å; Y179-N181 PolarHBondContact O-N 3.4Å; Y179-G182 PolarHBondContact O-N 2.99Å; Y179-S183 PolarHBondContact N-O 2.89Å; Y179-V185 HydrophobicContact CD2-CB 4.45Å; Y179-V185 HydrophobicContact CD2-CG2 3.86Å; Y179-V185 HydrophobicContact CE2-CB 3.86Å; Y179-V185 HydrophobicContact CE2-CG2 3.61Å; Y179-C219 PolarHBondContact O-N 2.6Å; Y179-C219 VanDerWaalsContact O-N 3.1Å
180S88.1Confident88.2Confident34 Ų3414.3 Ų14.324%0.2388%0.084CC..THydrogen-bonded Turntrans-61.1-22.9177.255.90000114.3Q162 G182 A218Q162-S180 PolarHBondContact N-OG 2.76Å; Q162-S180 PolarHBondContact O-N 2.81Å; S180-G182 VanDerWaalsContact C-N 3.34Å; S180-A218 WeakPolarHBondContact O-CA 3.43Å; S180-A218 VanDerWaalsContact O-CB 3.25Å; S180-A218 WeakPolarHBondContact O-CB 3.33Å
181N85.4Confident87.4Confident32 Ų3214.7 Ų14.717%0.1719%0.087CC..THydrogen-bonded Turntrans-91.29.317470.1-11.6000113.1M161 Y179 S183 T216M161-N181 PolarHBondContact SD-ND2 2.92Å; Y179-N181 VanDerWaalsContact CB-OD1 3.23Å; Y179-N181 WeakPolarHBondContact CB-OD1 3.2Å; Y179-N181 PolarHBondContact O-N 3.4Å; N181-S183 PolarHBondContact ND2-OG 3.18Å; N181-S183 PolarHBondContact O-N 3.09Å; N181-S183 VanDerWaalsContact OD1-CB 3.25Å; N181-S183 WeakPolarHBondContact OD1-CB 3.11Å; N181-S183 PolarHBondContact OD1-N 3.36Å; N181-S183 PolarHBondContact OD1-OG 2.74Å; N181-T216 WeakPolarHBondContact O-CB 3.29Å; N181-T216 PolarHBondContact O-OG1 3.28Å
182G86.2Confident86.2Confident0 Ų017.5 Ų17.50%011%0.11CC..SBendtrans80.3-8.1-179.700000116Y179 S180 I184 P217 Y236Y179-G182 PolarHBondContact O-N 2.99Å; S180-G182 VanDerWaalsContact C-N 3.34Å; G182-I184 PolarHBondContact O-N 3.41Å; G182-P217 WeakPolarHBondContact CA-O 3.3Å; G182-P217 PolarHBondContact N-O 2.84Å; G182-Y236 WeakPolarHBondContact O-CE1 3.4Å; G182-Y236 PolarHBondContact O-OH 2.81Å
183S88.1Confident84.7Confident9 Ų918.8 Ų18.86%0.06312%0.119CC..  trans-65.3134176.4-63.70000110.1G178 Y179 N181G178-S183 WeakPolarHBondContact CA-O 3.39Å; Y179-S183 PolarHBondContact N-O 2.89Å; N181-S183 PolarHBondContact ND2-OG 3.18Å; N181-S183 PolarHBondContact O-N 3.09Å; N181-S183 VanDerWaalsContact OD1-CB 3.25Å; N181-S183 WeakPolarHBondContact OD1-CB 3.11Å; N181-S183 PolarHBondContact OD1-N 3.36Å; N181-S183 PolarHBondContact OD1-OG 2.74Å
184I91.4Very high83Confident0 Ų022.1 Ų22.10%015%0.147CC..EExtended strand (participates in β ladder)trans-105.5116.5168.9-52.3-56.2000107.7S177 G178 G182 L203 C219 L222 L232 C234 W244S177-I184 CarbonylContact O-C 3.43Å; S177-I184 WeakPolarHBondContact O-CA 3.39Å; G178-I184 VanDerWaalsContact CA-CD1 3.42Å; G182-I184 PolarHBondContact O-N 3.41Å; I184-L203 HydrophobicContact CB-CB 4.2Å; I184-L203 HydrophobicContact CB-CD1 4.5Å; I184-L203 HydrophobicContact CG2-CB 4.48Å; I184-L203 HydrophobicContact CG2-CD1 3.94Å; I184-L203 PolarHBondContact O-N 2.84Å; I184-C219 HydrophobicContact CD1-CB 4.02Å; I184-L222 HydrophobicContact CD1-CD1 4.35Å; I184-L222 HydrophobicContact CG2-CD1 4.49Å; I184-L232 HydrophobicContact CG2-CD2 4.1Å; I184-C234 HydrophobicContact CD1-CB 4.33Å; I184-W244 HydrophobicContact CG1-CH2 3.97Å; I184-W244 HydrophobicContact CG1-CZ2 4.49Å
185V90.6Very high81.4Confident0 Ų026.6 Ų26.60%017%0.174CC..EExtended strand (participates in β ladder)trans-111.3132-178.6-170.30000109.9V148 A176 S177 Y179 F187 N200 F201 I202V148-V185 HydrophobicContact CG2-CB 4.46Å; V148-V185 HydrophobicContact CG2-CG1 4.15Å; V148-V185 HydrophobicContact CG2-CG2 4.11Å; A176-V185 WeakPolarHBondContact CA-O 3.21Å; S177-V185 PolarHBondContact N-O 3.28Å; S177-V185 PolarHBondContact O-N 2.82Å; Y179-V185 HydrophobicContact CD2-CB 4.45Å; Y179-V185 HydrophobicContact CD2-CG2 3.86Å; Y179-V185 HydrophobicContact CE2-CB 3.86Å; Y179-V185 HydrophobicContact CE2-CG2 3.61Å; V185-F187 HydrophobicContact CB-CE2 3.86Å; V185-F187 HydrophobicContact CB-CZ 3.98Å; V185-F187 HydrophobicContact CG1-CD1 4.38Å; V185-F187 HydrophobicContact CG1-CD2 4.27Å; V185-F187 HydrophobicContact CG1-CE1 3.83Å; V185-F187 HydrophobicContact CG1-CE2 3.68Å; V185-F187 HydrophobicContact CG1-CZ 3.47Å; V185-F187 VanDerWaalsContact CG1-CZ 3.47Å; V185-N200 HydrophobicContact CG1-CB 3.76Å; V185-N200 WeakPolarHBondContact CG1-ND2 3.37Å; V185-F201 WeakPolarHBondContact CA-O 3.28Å; V185-I202 HydrophobicContact CG2-CG1 4.42Å
186L91Very high79.6Confident1 Ų127.2 Ų27.21%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-105.4128176.1-54.8-176.8000109.2V174 A176 N200 F201 L203 L232 L246 I250V174-L186 HydrophobicContact CG1-CB 3.79Å; V174-L186 HydrophobicContact CG1-CD2 4.23Å; V174-L186 HydrophobicContact CG1-CG 4.45Å; A176-L186 HydrophobicContact CB-CD2 3.45Å; A176-L186 VanDerWaalsContact CB-CD2 3.45Å; L186-N200 CarbonylContact O-C 3.52Å; L186-N200 WeakPolarHBondContact O-CA 3.49Å; L186-F201 HydrophobicContact CB-CB 4.24Å; L186-F201 PolarHBondContact N-O 2.7Å; L186-F201 PolarHBondContact O-N 2.82Å; L186-L203 HydrophobicContact CD1-CD1 3.98Å; L186-L203 HydrophobicContact CD1-CD2 3.77Å; L186-L203 HydrophobicContact CD1-CG 3.76Å; L186-L203 HydrophobicContact CD2-CD1 4.07Å; L186-L203 HydrophobicContact CD2-CG 4.42Å; L186-L203 HydrophobicContact CG-CD1 4.15Å; L186-L203 HydrophobicContact CG-CD2 4.5Å; L186-L203 HydrophobicContact CG-CG 3.97Å; L186-L232 HydrophobicContact CD2-CD2 4.14Å; L186-L246 HydrophobicContact CD1-CD1 3.8Å; L186-L246 HydrophobicContact CD2-CD1 4.39Å; L186-I250 HydrophobicContact CD1-CD1 3.49Å; L186-I250 VanDerWaalsContact CD1-CD1 3.49Å
187F87.9Confident77.8Confident1 Ų133.1 Ų33.10%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-118.3140.1177.9-57.6-85.3000110.2I131 L146 V148 V174 V175 V185 A189 C198 N200I131-F187 HydrophobicContact CD1-CD2 3.8Å; I131-F187 HydrophobicContact CD1-CE2 3.44Å; I131-F187 VanDerWaalsContact CD1-CE2 3.44Å; I131-F187 HydrophobicContact CD1-CZ 4.31Å; L146-F187 HydrophobicContact CB-CB 4.34Å; L146-F187 HydrophobicContact CB-CD1 3.84Å; L146-F187 HydrophobicContact CB-CD2 4.38Å; L146-F187 HydrophobicContact CB-CE1 4.15Å; L146-F187 HydrophobicContact CB-CG 3.94Å; L146-F187 HydrophobicContact CD1-CB 3.73Å; L146-F187 HydrophobicContact CD1-CD2 4.29Å; L146-F187 HydrophobicContact CD1-CG 4.02Å; L146-F187 HydrophobicContact CD2-CB 4.24Å; L146-F187 HydrophobicContact CG-CB 4.32Å; L146-F187 HydrophobicContact CG-CG 4.43Å; V148-F187 HydrophobicContact CG2-CE1 4.04Å; V148-F187 HydrophobicContact CG2-CZ 3.57Å; V174-F187 CarbonylContact C-O 3.58Å; V174-F187 VanDerWaalsContact CA-O 3.29Å; V174-F187 WeakPolarHBondContact CA-O 3.49Å; V174-F187 WeakPolarHBondContact CG1-O 3.43Å; V175-F187 PolarHBondContact N-O 2.94Å; V175-F187 PolarHBondContact O-N 3.37Å; V185-F187 HydrophobicContact CB-CE2 3.86Å; V185-F187 HydrophobicContact CB-CZ 3.98Å; V185-F187 HydrophobicContact CG1-CD1 4.38Å; V185-F187 HydrophobicContact CG1-CD2 4.27Å; V185-F187 HydrophobicContact CG1-CE1 3.83Å; V185-F187 HydrophobicContact CG1-CE2 3.68Å; V185-F187 HydrophobicContact CG1-CZ 3.47Å; V185-F187 VanDerWaalsContact CG1-CZ 3.47Å; F187-A189 PolarHBondContact O-N 2.87Å; F187-C198 HydrophobicContact CD1-CB 4.3Å; F187-N200 HydrophobicContact CD1-CB 3.78Å; F187-N200 HydrophobicContact CE1-CB 3.87Å
188L86Confident76.3Confident39 Ų3933.2 Ų33.220%0.20421%0.209CC..EExtended strand (participates in β ladder)trans-67.1121.3167.2-172.667.4000109.6A190 S191 W248L188-A190 HydrophobicContact CD2-CB 4.45Å; L188-A190 HydrophobicContact CG-CB 4.31Å; L188-A190 PolarHBondContact O-N 2.85Å; L188-S191 VanDerWaalsContact O-CB 3.28Å; L188-S191 WeakPolarHBondContact O-CB 3.1Å; L188-S191 PolarHBondContact O-N 3.46Å; L188-W248 HydrophobicContact CD1-CH2 3.8Å; L188-W248 HydrophobicContact CD1-CZ3 4.23Å
189A82.7Confident74.9Confident9 Ų939.6 Ų39.67%0.07424%0.239CC..THydrogen-bonded Turntrans-64.2-25.7-17800000113.2W168 R173 V175 F187 S191W168-A189 HydrophobicContact CE3-CB 4.33Å; W168-A189 HydrophobicContact CH2-CB 4.23Å; W168-A189 HydrophobicContact CZ3-CB 3.55Å; R173-A189 WeakPolarHBondContact O-CB 3.46Å; R173-A189 PolarHBondContact O-N 3.05Å; V175-A189 HydrophobicContact CG2-CB 4.02Å; F187-A189 PolarHBondContact O-N 2.87Å; A189-S191 VanDerWaalsContact C-N 3.3Å
190A75.3Confident74.2Confident50 Ų5040.2 Ų40.241%0.41324%0.243SC..THydrogen-bonded Turntrans-82.5-317700000113.6L188 S192L188-A190 HydrophobicContact CD2-CB 4.45Å; L188-A190 HydrophobicContact CG-CB 4.31Å; L188-A190 PolarHBondContact O-N 2.85Å; A190-S192 PolarHBondContact O-N 3.3Å; A190-S192 VanDerWaalsContact O-N 3.12Å
191S70.3Confident73.6Confident15 Ų1543 Ų4311%0.10525%0.251CS..  trans-60.6118.9-178.4-172.40000111L188 A189 C198L188-S191 VanDerWaalsContact O-CB 3.28Å; L188-S191 WeakPolarHBondContact O-CB 3.1Å; L188-S191 PolarHBondContact O-N 3.46Å; A189-S191 VanDerWaalsContact C-N 3.3Å; S191-C198 VanDerWaalsContact CB-SG 3.56Å; S191-C198 WeakPolarHBondContact OG-CB 3.46Å; S191-C198 PolarHBondContact OG-SG 3.38Å
192S60.5Low73.4Confident102 Ų10244.5 Ų44.571%0.71326%0.258SS*.  trans-130.753.5175.468.10000109.5A190A190-S192 PolarHBondContact O-N 3.3Å; A190-S192 VanDerWaalsContact O-N 3.12Å
193T56.3Low73.2Confident46 Ų4644.5 Ų44.528%0.28226%0.258SS..  trans-70129.7173.352.30000109.6T195 G196 E197T193-T195 PolarHBondContact O-N 3.24Å; T193-G196 PolarHBondContact O-N 3.16Å; T193-G196 PolarHBondContact OG1-N 3.02Å; T193-E197 WeakPolarHBondContact CB-O 3.33Å; T193-E197 WeakPolarHBondContact CG2-O 3.48Å; T193-E197 VanDerWaalsContact OG1-C 3.32Å; T193-E197 PolarHBondContact OG1-N 3.39Å; T193-E197 PolarHBondContact OG1-O 3.24Å
194P49.2Very low72.4Confident121 Ų12144.8 Ų44.879%0.78626%0.259SS*.THydrogen-bonded Turntrans-58.1-27.8175.1-22.231.4000113.1G196 M544P194-G196 VanDerWaalsContact C-N 3.29Å; P194-M544 HydrophobicContact CG-CE 4.4Å
195T54.6Low71.3Confident98 Ų9847.2 Ų47.260%0.60127%0.27SS*.THydrogen-bonded Turntrans-77.6-11.4177.955.30000113.4T193 E197T193-T195 PolarHBondContact O-N 3.24Å; T195-E197 PolarHBondContact O-N 2.9Å
196G55.3Low69.7Low13 Ų1348.9 Ų48.913%0.13428%0.281CS..SBendtrans72.9-0.4-172.300000115.1T193 P194 C198T193-G196 PolarHBondContact O-N 3.16Å; T193-G196 PolarHBondContact OG1-N 3.02Å; P194-G196 VanDerWaalsContact C-N 3.29Å; G196-C198 PolarHBondContact O-N 2.87Å
197E56.1Low67.9Low124 Ų12453.5 Ų53.558%0.57931%0.313SS*.BIsolated β-bridgetrans-83.2105175.5-67.3-178.9161.600110.1T193 T195T193-E197 WeakPolarHBondContact CB-O 3.33Å; T193-E197 WeakPolarHBondContact CG2-O 3.48Å; T193-E197 VanDerWaalsContact OG1-C 3.32Å; T193-E197 PolarHBondContact OG1-N 3.39Å; T193-E197 PolarHBondContact OG1-O 3.24Å; T195-E197 PolarHBondContact O-N 2.9Å
198C62.2Low66.1Low3 Ų358.1 Ų58.12%0.0233%0.331CS..  trans-91.5140.5178.6-600000109.8L146 F187 S191 G196 N200L146-C198 HydrophobicContact CD2-CB 4.36Å; L146-C198 VanDerWaalsContact CD2-SG 3.56Å; F187-C198 HydrophobicContact CD1-CB 4.3Å; S191-C198 VanDerWaalsContact CB-SG 3.56Å; S191-C198 WeakPolarHBondContact OG-CB 3.46Å; S191-C198 PolarHBondContact OG-SG 3.38Å; G196-C198 PolarHBondContact O-N 2.87Å; C198-N200 PolarHBondContact O-N 2.84Å; C198-N200 VanDerWaalsContact O-N 3.13Å
199E65.7Low63.9Low133 Ų13362 Ų6262%0.62136%0.357SS*.  trans-57.4120.9162.9-72.4-175.7178.700108.4
200N74.8Confident61.9Low15 Ų1567.4 Ų67.48%0.0838%0.384CS..EExtended strand (participates in β ladder)trans-130.5143.6-177.773.3-66.8000110.5S149 V185 L186 F187 C198S149-N200 PolarHBondContact OG-OD1 2.86Å; V185-N200 HydrophobicContact CG1-CB 3.76Å; V185-N200 WeakPolarHBondContact CG1-ND2 3.37Å; L186-N200 CarbonylContact O-C 3.52Å; L186-N200 WeakPolarHBondContact O-CA 3.49Å; F187-N200 HydrophobicContact CD1-CB 3.78Å; F187-N200 HydrophobicContact CE1-CB 3.87Å; C198-N200 PolarHBondContact O-N 2.84Å; C198-N200 VanDerWaalsContact O-N 3.13Å
201F76.8Confident60.5Low93 Ų9373 Ų7341%0.40841%0.407SS..EExtended strand (participates in β ladder)trans-108.4133.1172.9-61.9-91.1000108.7V185 L186V185-F201 WeakPolarHBondContact CA-O 3.28Å; L186-F201 HydrophobicContact CB-CB 4.24Å; L186-F201 PolarHBondContact N-O 2.7Å; L186-F201 PolarHBondContact O-N 2.82Å
202I81Confident59.5Low62 Ų6277.6 Ų77.632%0.31844%0.439SS..EExtended strand (participates in β ladder)trans-95121.5171-58175.9000106.8I151 V185I151-I202 HydrophobicContact CD1-CD1 4.31Å; I151-I202 HydrophobicContact CG1-CD1 3.67Å; V185-I202 HydrophobicContact CG2-CG1 4.42Å
203L81.4Confident58.9Low1 Ų176.5 Ų76.51%0.00543%0.432CS..EExtended strand (participates in β ladder)trans-74.8143.7171-69.2179.5000109.6I184 L186 F205 L232 W244 L246 L257I184-L203 HydrophobicContact CB-CB 4.2Å; I184-L203 HydrophobicContact CB-CD1 4.5Å; I184-L203 HydrophobicContact CG2-CB 4.48Å; I184-L203 HydrophobicContact CG2-CD1 3.94Å; I184-L203 PolarHBondContact O-N 2.84Å; L186-L203 HydrophobicContact CD1-CD1 3.98Å; L186-L203 HydrophobicContact CD1-CD2 3.77Å; L186-L203 HydrophobicContact CD1-CG 3.76Å; L186-L203 HydrophobicContact CD2-CD1 4.07Å; L186-L203 HydrophobicContact CD2-CG 4.42Å; L186-L203 HydrophobicContact CG-CD1 4.15Å; L186-L203 HydrophobicContact CG-CD2 4.5Å; L186-L203 HydrophobicContact CG-CG 3.97Å; L203-F205 PolarHBondContact O-N 3.36Å; L203-L232 HydrophobicContact CD1-CD2 3.67Å; L203-W244 HydrophobicContact CD1-CD2 4.05Å; L203-W244 HydrophobicContact CD1-CG 4.07Å; L203-L246 HydrophobicContact CD1-CD1 4.33Å; L203-L246 HydrophobicContact CD1-CD2 4.31Å; L203-L246 HydrophobicContact CD2-CD2 3.85Å; L203-L257 HydrophobicContact CD2-CD1 4.02Å
204P71.2Confident58.6Low14 Ų1482.9 Ų82.99%0.09146%0.463CS..PPolyproline II helixtrans-67.8133.4177.628.2-32.8000108.3W244 T254 H255 I258P204-W244 WeakPolarHBondContact O-CZ2 3.37Å; P204-W244 PolarHBondContact O-NE1 2.68Å; P204-T254 WeakPolarHBondContact CD-OG1 3.44Å; P204-T254 VanDerWaalsContact CG-O 3.26Å; P204-T254 WeakPolarHBondContact CG-O 3.42Å; P204-H255 VanDerWaalsContact CB-CE1 3.49Å; P204-H255 WeakPolarHBondContact CB-CE1 3.3Å; P204-I258 HydrophobicContact CG-CD1 4.16Å; P204-I258 HydrophobicContact CG-CG1 4.37Å
205F69.3Low59.4Low52 Ų5281.7 Ų81.723%0.22846%0.458CS..  trans-120.6160.6168.965.5-87.2000108.2L203 S207 T216 Y236L203-F205 PolarHBondContact O-N 3.36Å; F205-S207 PolarHBondContact O-N 3.39Å; F205-T216 HydrophobicContact CE2-CG2 3.87Å; F205-T216 HydrophobicContact CZ-CG2 4.38Å; F205-Y236 WeakPolarHBondContact CB-OH 3.3Å
206P57.2Low60.4Low35 Ų3579.8 Ų79.823%0.22745%0.446CS..  trans-62.8116-175.7-14.928.8000108.8Y208 I242P206-Y208 HydrophobicContact CB-CE2 3.96Å; P206-Y208 HydrophobicContact CG-CE2 4.48Å; P206-Y208 VanDerWaalsContact O-CD2 3.24Å; P206-Y208 WeakPolarHBondContact O-CD2 3.29Å; P206-Y208 WeakPolarHBondContact O-CE2 3.48Å; P206-Y208 PolarHBondContact O-N 3.29Å; P206-Y208 VanDerWaalsContact O-N 3.16Å; P206-I242 HydrophobicContact CG-CD1 3.52Å
207S52.3Low61.8Low97 Ų9779.7 Ų79.768%0.67844%0.443SS*.  trans-69.4105.3165.654.50000107.6F205 T209F205-S207 PolarHBondContact O-N 3.39Å; S207-T209 PolarHBondContact O-N 3.05Å
208Y51Low63.3Low99 Ų9974.2 Ų74.239%0.38842%0.419SS..  trans-74.6108.2173-65.7-94.2000108.6P206 N210 P217 D238 S240P206-Y208 HydrophobicContact CB-CE2 3.96Å; P206-Y208 HydrophobicContact CG-CE2 4.48Å; P206-Y208 VanDerWaalsContact O-CD2 3.24Å; P206-Y208 WeakPolarHBondContact O-CD2 3.29Å; P206-Y208 WeakPolarHBondContact O-CE2 3.48Å; P206-Y208 PolarHBondContact O-N 3.29Å; P206-Y208 VanDerWaalsContact O-N 3.16Å; Y208-N210 PolarHBondContact O-N 2.77Å; Y208-P217 HydrophobicContact CD2-CG 4.09Å; Y208-P217 VanDerWaalsContact CE2-CD 3.43Å; Y208-P217 HydrophobicContact CE2-CG 3.38Å; Y208-D238 VanDerWaalsContact CZ-OD2 3.29Å; Y208-D238 PolarHBondContact OH-OD2 3.12Å; Y208-S240 PolarHBondContact OH-OG 2.9Å
209T38.7Very low64.7Low120 Ų12074.1 Ų74.174%0.73642%0.418SS*.  trans-7830.6172.956.40000112.4S207 N211S207-T209 PolarHBondContact O-N 3.05Å; T209-N211 PolarHBondContact O-N 3.28Å
210N41.5Very low65.8Low122 Ų12270 Ų7065%0.65240%0.4SS*.  trans-87.7106.6-178.6-106.5-1.4000110.9Y208 S212Y208-N210 PolarHBondContact O-N 2.77Å; N210-S212 PolarHBondContact O-N 2.89Å
211N46.1Very low66.7Low168 Ų16869.9 Ų69.990%0.89840%0.401SS*.THydrogen-bonded Turntrans-63.214.7-175.4-78.6-21.8000116.9T209T209-N211 PolarHBondContact O-N 3.28Å
212S48.6Very low67.5Low111 Ų11166 Ų6678%0.77638%0.384SS*.THydrogen-bonded Turntrans-127.7-4.1-17663.10000116.6N210N210-S212 PolarHBondContact O-N 2.89Å
213S47.2Very low68.1Low79 Ų7965.8 Ų65.855%0.55238%0.381SS*.  trans-160.9108.5168.754.20000109.6S215S213-S215 PolarHBondContact O-N 2.8Å
214L50.6Low68.6Low180 Ų18066.3 Ų66.394%0.94238%0.384SS*.  trans-65.29.4-172.8-118.384.6000115.8T216L214-T216 PolarHBondContact O-N 3.12Å
215S65.6Low69.4Low97 Ų9765.7 Ų65.768%0.67838%0.38SS*.  trans-89.5110.2-175.962.10000111.5S213S213-S215 PolarHBondContact O-N 2.8Å
216T76.4Confident70Confident57 Ų5766.5 Ų66.535%0.3538%0.382SS..PPolyproline II helixtrans-58.7139.7164.447.60000110.7N181 F205 L214N181-T216 WeakPolarHBondContact O-CB 3.29Å; N181-T216 PolarHBondContact O-OG1 3.28Å; F205-T216 HydrophobicContact CE2-CG2 3.87Å; F205-T216 HydrophobicContact CZ-CG2 4.38Å; L214-T216 PolarHBondContact O-N 3.12Å
217P85.2Confident71Confident12 Ų1269.4 Ų69.48%0.07839%0.394CS..PPolyproline II helixtrans-69.1141.5179.631.5-36.6000111.4G182 Y208 Y236 S237 D238G182-P217 WeakPolarHBondContact CA-O 3.3Å; G182-P217 PolarHBondContact N-O 2.84Å; Y208-P217 HydrophobicContact CD2-CG 4.09Å; Y208-P217 VanDerWaalsContact CE2-CD 3.43Å; Y208-P217 HydrophobicContact CE2-CG 3.38Å; P217-Y236 HydrophobicContact CB-CD1 4.27Å; P217-Y236 HydrophobicContact CG-CD1 4Å; P217-S237 WeakPolarHBondContact CA-OG 3.43Å; P217-D238 HydrophobicContact CB-CB 3.76Å; P217-D238 HydrophobicContact CG-CB 4.41Å
218A87.6Confident72.4Confident9 Ų967 Ų677%0.07437%0.374CS..PPolyproline II helixtrans-76.2150.9-178.400000112.2S180 N220 Y236 S237S180-A218 WeakPolarHBondContact O-CA 3.43Å; S180-A218 VanDerWaalsContact O-CB 3.25Å; S180-A218 WeakPolarHBondContact O-CB 3.33Å; A218-N220 PolarHBondContact O-N 3.23Å; A218-Y236 CarbonylContact O-C 3.03Å; A218-Y236 VanDerWaalsContact O-CA 3.28Å; A218-Y236 WeakPolarHBondContact O-CA 3.41Å; A218-S237 PolarHBondContact N-OG 3.44Å; A218-S237 PolarHBondContact O-N 2.94Å
219C90.1Very high74Confident0 Ų062.9 Ų62.90%036%0.359CS..EExtended strand (participates in β ladder)trans-68.4123.5161.8173.50000109R164 C165 Y179 I184 T221 C234R164-C219 WeakPolarHBondContact CB-O 3.35Å; R164-C219 WeakPolarHBondContact CD-O 3.45Å; C165-C219 WeakPolarHBondContact CB-SG 3.3Å; C165-C219 WeakPolarHBondContact SG-CB 3.35Å; C165-C219 CovalentContact SG-SG 2.08Å; C165-C219 PolarHBondContact SG-SG 2.7Å; Y179-C219 PolarHBondContact O-N 2.6Å; Y179-C219 VanDerWaalsContact O-N 3.1Å; I184-C219 HydrophobicContact CD1-CB 4.02Å; C219-T221 PolarHBondContact SG-O 2.78Å; C219-T221 VanDerWaalsContact SG-O 3.39Å; C219-C234 PolarHBondContact SG-SG 2.96Å
220N90Very high76.4Confident46 Ų4658.5 Ų58.525%0.24633%0.332CS..EExtended strand (participates in β ladder)trans-98.6-43.3172-77.5-17000112A218 G235 S237 Y279A218-N220 PolarHBondContact O-N 3.23Å; N220-G235 PolarHBondContact N-O 3.45Å; N220-S237 VanDerWaalsContact ND2-CA 3.29Å; N220-S237 WeakPolarHBondContact ND2-CA 3.34Å; N220-Y279 PolarHBondContact ND2-O 2.97Å
221T92.2Very high78.8Confident14 Ų1452.9 Ų52.99%0.08630%0.302CS..EExtended strand (participates in β ladder)trans-133.5145.3-178.9-170.20000110.1C219 C234 G235 V281 I283C219-T221 PolarHBondContact SG-O 2.78Å; C219-T221 VanDerWaalsContact SG-O 3.39Å; T221-C234 VanDerWaalsContact O-CA 3.29Å; T221-C234 WeakPolarHBondContact O-CA 3.21Å; T221-C234 PolarHBondContact O-SG 3.4Å; T221-C234 VanDerWaalsContact O-SG 3.35Å; T221-G235 PolarHBondContact N-O 2.96Å; T221-G235 PolarHBondContact O-N 3.35Å; T221-V281 WeakPolarHBondContact CG2-O 3.41Å; T221-I283 HydrophobicContact CG2-CB 4.34Å; T221-I283 HydrophobicContact CG2-CD1 3.67Å; T221-I283 HydrophobicContact CG2-CG1 3.59Å; T221-I283 HydrophobicContact CG2-CG2 4.11Å
222L94.1Very high81.1Confident11 Ų1144.9 Ų44.96%0.05826%0.259CS..EExtended strand (participates in β ladder)trans-140.1118177.2-16970.7000107.9C165 A176 I184 L232 C233 C234C165-L222 HydrophobicContact CB-CB 3.65Å; A176-L222 HydrophobicContact CB-CD2 3.92Å; A176-L222 WeakPolarHBondContact O-CD2 3.07Å; I184-L222 HydrophobicContact CD1-CD1 4.35Å; I184-L222 HydrophobicContact CG2-CD1 4.49Å; L222-L232 HydrophobicContact CD1-CD1 3.71Å; L222-L232 HydrophobicContact CD1-CD2 4.23Å; L222-L232 HydrophobicContact CD1-CG 3.93Å; L222-L232 HydrophobicContact CD2-CD1 4.38Å; L222-L232 HydrophobicContact CG-CD1 3.87Å; L222-C233 WeakPolarHBondContact CA-O 3.21Å; L222-C234 HydrophobicContact CD1-CB 3.92Å
223K93.1Very high83.3Confident57 Ų5739.6 Ų39.625%0.24822%0.222CC..EExtended strand (participates in β ladder)trans-129.8151-178.8-60.4-66.4-176165.80110.5C233 I283 F285K223-C233 PolarHBondContact N-O 3.34Å; K223-C233 PolarHBondContact O-N 2.85Å; K223-I283 HydrophobicContact CB-CD1 4.08Å; K223-I283 HydrophobicContact CB-CG1 4.02Å; K223-I283 WeakPolarHBondContact CE-O 3.27Å; K223-I283 HydrophobicContact CG-CD1 3.98Å; K223-I283 HydrophobicContact CG-CG1 3.48Å; K223-I283 VanDerWaalsContact CG-CG1 3.48Å; K223-I283 WeakPolarHBondContact CG-O 3.45Å; K223-F285 HydrophobicContact CB-CD2 4.16Å; K223-F285 HydrophobicContact CB-CE2 4.19Å
224T92.2Very high85.5Confident12 Ų1235.9 Ų35.97%0.07420%0.196CC..EExtended strand (participates in β ladder)trans-119.1144174.255.80000108.6Q116 S167 W168 I169 R226 L231 L232Q116-T224 PolarHBondContact NE2-OG1 2.87Å; S167-T224 VanDerWaalsContact OG-CG2 3.3Å; S167-T224 WeakPolarHBondContact OG-CG2 3.29Å; S167-T224 PolarHBondContact OG-OG1 2.85Å; W168-T224 WeakPolarHBondContact O-CG2 3.37Å; W168-T224 PolarHBondContact O-OG1 2.98Å; W168-T224 VanDerWaalsContact O-OG1 3.05Å; I169-T224 HydrophobicContact CB-CG2 3.94Å; I169-T224 HydrophobicContact CD1-CG2 3.96Å; I169-T224 HydrophobicContact CG1-CG2 4.1Å; T224-R226 PolarHBondContact O-N 2.72Å; T224-L231 VanDerWaalsContact CA-O 3.3Å; T224-L231 WeakPolarHBondContact CA-O 3.45Å; T224-L232 HydrophobicContact CG2-CD1 3.47Å; T224-L232 VanDerWaalsContact CG2-CD1 3.47Å
225S88.5Confident87.5Confident1 Ų127.3 Ų27.31%0.00715%0.151CC..  trans-63.3139.1173.2175.20000108.6Q116 L227 D228 N229 L231 D288Q116-S225 PolarHBondContact NE2-O 3.42Å; S225-L227 PolarHBondContact OG-N 3.41Å; S225-D228 VanDerWaalsContact CB-O 3.26Å; S225-D228 WeakPolarHBondContact CB-O 3.44Å; S225-D228 PolarHBondContact OG-N 2.86Å; S225-N229 PolarHBondContact O-OD1 2.97Å; S225-L231 PolarHBondContact N-O 3.25Å; S225-D288 PolarHBondContact OG-OD1 3.07Å
226R81.4Confident88.7Confident70 Ų7022.7 Ų22.726%0.26412%0.119SC..SBendtrans-83.5-17.8179.5-61.9-179.9-175.1148.78111.8T224 D330 V331 S333T224-R226 PolarHBondContact O-N 2.72Å; R226-D330 IonicContact CZ-OD1 3.55Å; R226-D330 IonicContact NH2-OD1 2.93Å; R226-D330 PolarHBondContact NH2-OD1 3.45Å; R226-D330 IonicContact NH2-OD2 3.44Å; R226-D330 PolarHBondContact NH2-OD2 3.21Å; R226-V331 PolarHBondContact NH1-O 2.87Å; R226-S333 VanDerWaalsContact CD-OG 3.25Å; R226-S333 WeakPolarHBondContact CD-OG 3.25Å; R226-S333 PolarHBondContact NH1-OG 3.38Å
227L79.2Confident89.2Confident95 Ų9521 Ų2150%0.49711%0.109SC..SBendtrans-96.6-52.5178.7-65.2176.5000109.7S225 D288S225-L227 PolarHBondContact OG-N 3.41Å; L227-D288 WeakPolarHBondContact CB-OD1 3.32Å
228D81.4Confident89.1Confident48 Ų4821.3 Ų21.326%0.25711%0.11SC..  trans-102.4100.4172.6-173-2.2000112.7S225 T230 L231 D288S225-D228 VanDerWaalsContact CB-O 3.26Å; S225-D228 WeakPolarHBondContact CB-O 3.44Å; S225-D228 PolarHBondContact OG-N 2.86Å; D228-T230 PolarHBondContact O-N 2.85Å; D228-T230 VanDerWaalsContact OD1-CB 3.24Å; D228-T230 WeakPolarHBondContact OD1-CB 3.29Å; D228-T230 VanDerWaalsContact OD1-CG2 3.25Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.44Å; D228-T230 PolarHBondContact OD1-N 3.14Å; D228-T230 PolarHBondContact OD1-OG1 3.33Å; D228-T230 PolarHBondContact OD2-OG1 3.08Å; D228-L231 HydrophobicContact CB-CD1 4.38Å; D228-L231 HydrophobicContact CB-CG 4.42Å; D228-L231 PolarHBondContact O-N 2.8Å; D228-D288 HydrophobicContact CB-CB 4.08Å; D228-D288 WeakPolarHBondContact CB-OD1 3.37Å; D228-D288 PolarHBondContact N-OD1 2.96Å
229N84.3Confident89Confident12 Ų1220.9 Ų20.96%0.06411%0.107CC..THydrogen-bonded Turntrans-69.16.9177.8-74.2-34.1000114.6Q116 R117 I169 L170 N171 S225Q116-N229 PolarHBondContact OE1-OD1 3.15Å; R117-N229 PolarHBondContact NH2-ND2 2.94Å; I169-N229 WeakPolarHBondContact CG1-O 3.4Å; L170-N229 WeakPolarHBondContact CA-O 2.92Å; L170-N229 PolarHBondContact N-O 3.5Å; N171-N229 WeakPolarHBondContact OD1-CB 3Å; N171-N229 PolarHBondContact OD1-ND2 3.19Å; S225-N229 PolarHBondContact O-OD1 2.97Å
230T89.2Confident89Confident28 Ų2821 Ų2117%0.17211%0.108CC..THydrogen-bonded Turntrans-88.2-23.2172.768.90000112.6D228 N245 L246D228-T230 PolarHBondContact O-N 2.85Å; D228-T230 VanDerWaalsContact OD1-CB 3.24Å; D228-T230 WeakPolarHBondContact OD1-CB 3.29Å; D228-T230 VanDerWaalsContact OD1-CG2 3.25Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.44Å; D228-T230 PolarHBondContact OD1-N 3.14Å; D228-T230 PolarHBondContact OD1-OG1 3.33Å; D228-T230 PolarHBondContact OD2-OG1 3.08Å; T230-N245 WeakPolarHBondContact CB-OD1 3.49Å; T230-N245 PolarHBondContact OG1-OD1 2.92Å; T230-L246 VanDerWaalsContact CA-O 3.31Å; T230-L246 WeakPolarHBondContact CA-O 3.36Å; T230-L246 WeakPolarHBondContact CB-O 3.09Å; T230-L246 WeakPolarHBondContact CG2-O 3.43Å; T230-L246 PolarHBondContact O-N 2.96Å
231L92.9Very high89.1Confident4 Ų418.8 Ų18.82%0.02110%0.096CC..EExtended strand (participates in β ladder)trans-86.8124.4-174.3-62.6179.5000111.9T224 S225 D228 L243 W244 N245 L259 F285 D288T224-L231 VanDerWaalsContact CA-O 3.3Å; T224-L231 WeakPolarHBondContact CA-O 3.45Å; S225-L231 PolarHBondContact N-O 3.25Å; D228-L231 HydrophobicContact CB-CD1 4.38Å; D228-L231 HydrophobicContact CB-CG 4.42Å; D228-L231 PolarHBondContact O-N 2.8Å; L231-L243 HydrophobicContact CB-CD1 4.21Å; L231-L243 HydrophobicContact CD2-CD1 4.36Å; L231-W244 WeakPolarHBondContact CA-O 3.45Å; L231-N245 HydrophobicContact CD2-CB 3.99Å; L231-L259 HydrophobicContact CD2-CD2 3.99Å; L231-F285 HydrophobicContact CB-CE1 4.31Å; L231-F285 HydrophobicContact CB-CZ 4.16Å; L231-F285 HydrophobicContact CD1-CE1 4.29Å; L231-D288 HydrophobicContact CD1-CB 4.27Å
232L94.2Very high89.1Confident0 Ų018.2 Ų18.20%09%0.092CC..EExtended strand (participates in β ladder)trans-117.3128.7171.6-171.663.1000109.1I169 A176 I184 L186 L203 L222 T224 L243 W244 L246I169-L232 HydrophobicContact CD1-CB 3.53Å; I169-L232 HydrophobicContact CD1-CD1 4.07Å; I169-L232 HydrophobicContact CD1-CG 4.27Å; A176-L232 HydrophobicContact CB-CD1 4.02Å; A176-L232 HydrophobicContact CB-CD2 3.98Å; I184-L232 HydrophobicContact CG2-CD2 4.1Å; L186-L232 HydrophobicContact CD2-CD2 4.14Å; L203-L232 HydrophobicContact CD1-CD2 3.67Å; L222-L232 HydrophobicContact CD1-CD1 3.71Å; L222-L232 HydrophobicContact CD1-CD2 4.23Å; L222-L232 HydrophobicContact CD1-CG 3.93Å; L222-L232 HydrophobicContact CD2-CD1 4.38Å; L222-L232 HydrophobicContact CG-CD1 3.87Å; T224-L232 HydrophobicContact CG2-CD1 3.47Å; T224-L232 VanDerWaalsContact CG2-CD1 3.47Å; L232-L243 CarbonylContact O-C 3.5Å; L232-L243 WeakPolarHBondContact O-CA 3.4Å; L232-L243 WeakPolarHBondContact O-CD1 3.39Å; L232-W244 HydrophobicContact CB-CB 4.45Å; L232-W244 HydrophobicContact CB-CE3 4.37Å; L232-W244 HydrophobicContact CD2-CE3 4.4Å; L232-W244 HydrophobicContact CG-CE3 4.32Å; L232-W244 PolarHBondContact N-O 2.85Å; L232-W244 PolarHBondContact O-N 2.8Å; L232-L246 HydrophobicContact CB-CD1 4.3Å; L232-L246 HydrophobicContact CD2-CD1 4.2Å
233C94.5Very high89.1Confident0 Ų017.7 Ų17.70%09%0.09CC..EExtended strand (participates in β ladder)trans-123.1136.8175.2-167.80000110.7L222 K223 I241 I242 L243 I283 F285 L291L222-C233 WeakPolarHBondContact CA-O 3.21Å; K223-C233 PolarHBondContact N-O 3.34Å; K223-C233 PolarHBondContact O-N 2.85Å; C233-I241 WeakPolarHBondContact SG-CG2 3.28Å; C233-I242 CarbonylContact C-O 3.14Å; C233-I242 VanDerWaalsContact CA-O 3.3Å; C233-I242 WeakPolarHBondContact CA-O 3.36Å; C233-L243 HydrophobicContact CB-CD1 3.97Å; C233-I283 HydrophobicContact CB-CD1 3.75Å; C233-I283 WeakPolarHBondContact O-CD1 3.48Å; C233-I283 VanDerWaalsContact SG-CD1 3.58Å; C233-F285 HydrophobicContact CB-CE2 3.6Å; C233-F285 HydrophobicContact CB-CZ 3.54Å; C233-L291 HydrophobicContact CB-CD1 4.33Å; C233-L291 VanDerWaalsContact SG-CD2 3.58Å
234C93.9Very high89.1Confident0 Ų015 Ų150%08%0.078CC..EExtended strand (participates in β ladder)trans-123.5137.6174.9-177.30000110.5I184 C219 T221 L222 Y236 I241 I242 W244I184-C234 HydrophobicContact CD1-CB 4.33Å; C219-C234 PolarHBondContact SG-SG 2.96Å; T221-C234 VanDerWaalsContact O-CA 3.29Å; T221-C234 WeakPolarHBondContact O-CA 3.21Å; T221-C234 PolarHBondContact O-SG 3.4Å; T221-C234 VanDerWaalsContact O-SG 3.35Å; L222-C234 HydrophobicContact CD1-CB 3.92Å; C234-Y236 HydrophobicContact CB-CE2 3.99Å; C234-I241 CarbonylContact O-C 3.56Å; C234-I241 VanDerWaalsContact O-CA 3.3Å; C234-I241 WeakPolarHBondContact O-CA 3.23Å; C234-I242 PolarHBondContact N-O 2.87Å; C234-I242 PolarHBondContact O-N 3.21Å; C234-W244 HydrophobicContact CB-CH2 3.8Å; C234-W244 HydrophobicContact CB-CZ3 3.49Å; C234-W244 VanDerWaalsContact CB-CZ3 3.49Å
235G92.4Very high89.1Confident0 Ų016.3 Ų16.30%09%0.085CC..EExtended strand (participates in β ladder)trans-107.3130.1165.700000110.2N220 T221N220-G235 PolarHBondContact N-O 3.45Å; T221-G235 PolarHBondContact N-O 2.96Å; T221-G235 PolarHBondContact O-N 3.35Å
236Y90.7Very high89.2Confident0 Ų016.2 Ų16.20%08%0.084CC..EExtended strand (participates in β ladder)trans-99161.6-174.9-75.5-89.8000112.8G182 F205 P217 A218 C234 D238 G239 S240 I242 W244G182-Y236 WeakPolarHBondContact O-CE1 3.4Å; G182-Y236 PolarHBondContact O-OH 2.81Å; F205-Y236 WeakPolarHBondContact CB-OH 3.3Å; P217-Y236 HydrophobicContact CB-CD1 4.27Å; P217-Y236 HydrophobicContact CG-CD1 4Å; A218-Y236 CarbonylContact O-C 3.03Å; A218-Y236 VanDerWaalsContact O-CA 3.28Å; A218-Y236 WeakPolarHBondContact O-CA 3.41Å; C234-Y236 HydrophobicContact CB-CE2 3.99Å; Y236-D238 WeakPolarHBondContact CB-OD1 3.42Å; Y236-D238 PolarHBondContact O-N 3.37Å; Y236-D238 VanDerWaalsContact O-N 3.16Å; Y236-G239 PolarHBondContact O-N 3.44Å; Y236-S240 PolarHBondContact N-O 3.39Å; Y236-I242 HydrophobicContact CD2-CD1 4.27Å; Y236-I242 HydrophobicContact CD2-CG1 4.36Å; Y236-I242 HydrophobicContact CE2-CB 4.32Å; Y236-I242 HydrophobicContact CE2-CD1 3.55Å; Y236-I242 HydrophobicContact CE2-CG1 3.9Å; Y236-W244 HydrophobicContact CE2-CH2 4.24Å
237S85.8Confident89.4Confident22 Ų2218.2 Ų18.215%0.15410%0.096CC..THydrogen-bonded Turntrans-70.2-3.9177.572.80000114.9P217 A218 N220 Y279P217-S237 WeakPolarHBondContact CA-OG 3.43Å; A218-S237 PolarHBondContact N-OG 3.44Å; A218-S237 PolarHBondContact O-N 2.94Å; N220-S237 VanDerWaalsContact ND2-CA 3.29Å; N220-S237 WeakPolarHBondContact ND2-CA 3.34Å; S237-Y279 WeakPolarHBondContact CA-O 2.85Å; S237-Y279 VanDerWaalsContact O-CB 3.23Å; S237-Y279 WeakPolarHBondContact O-CB 2.89Å; S237-Y279 WeakPolarHBondContact O-CD2 3.35Å; S237-Y279 PolarHBondContact O-N 3.47Å
238D84Confident89.5Confident18 Ų1817.2 Ų17.210%0.0969%0.086CC..THydrogen-bonded Turntrans-103.39.817084.4-40.3000110.9Y208 P217 Y236 S240 K265Y208-D238 VanDerWaalsContact CZ-OD2 3.29Å; Y208-D238 PolarHBondContact OH-OD2 3.12Å; P217-D238 HydrophobicContact CB-CB 3.76Å; P217-D238 HydrophobicContact CG-CB 4.41Å; Y236-D238 WeakPolarHBondContact CB-OD1 3.42Å; Y236-D238 PolarHBondContact O-N 3.37Å; Y236-D238 VanDerWaalsContact O-N 3.16Å; D238-S240 VanDerWaalsContact CG-OG 3.31Å; D238-S240 PolarHBondContact O-N 3.46Å; D238-S240 VanDerWaalsContact OD1-CB 3.25Å; D238-S240 WeakPolarHBondContact OD1-CB 3.24Å; D238-S240 PolarHBondContact OD1-N 2.98Å; D238-S240 PolarHBondContact OD1-OG 3.22Å; D238-S240 VanDerWaalsContact OD1-OG 3.13Å; D238-S240 PolarHBondContact OD2-OG 2.78Å; D238-K265 VanDerWaalsContact CB-NZ 3.27Å; D238-K265 WeakPolarHBondContact O-CD 3.39Å; D238-K265 WeakPolarHBondContact O-CE 3.13Å; D238-K265 PolarHBondContact O-NZ 3.13Å; D238-K265 IonicContact OD2-NZ 3.39Å
239G85.6Confident89.3Confident1 Ų117.2 Ų17.21%0.019%0.089CC..SBendtrans84.9-13.7178.700000114.7Y236 P264Y236-G239 PolarHBondContact O-N 3.44Å; G239-P264 WeakPolarHBondContact O-CD 3.44Å; G239-P264 VanDerWaalsContact O-CG 3.32Å; G239-P264 WeakPolarHBondContact O-CG 3.25Å
240S89.1Confident89Confident2 Ų217.4 Ų17.41%0.0149%0.089CC..  trans-64.4143.2179.6-58.80000110.8Y208 Y236 D238 W262Y208-S240 PolarHBondContact OH-OG 2.9Å; Y236-S240 PolarHBondContact N-O 3.39Å; D238-S240 VanDerWaalsContact CG-OG 3.31Å; D238-S240 PolarHBondContact O-N 3.46Å; D238-S240 VanDerWaalsContact OD1-CB 3.25Å; D238-S240 WeakPolarHBondContact OD1-CB 3.24Å; D238-S240 PolarHBondContact OD1-N 2.98Å; D238-S240 PolarHBondContact OD1-OG 3.22Å; D238-S240 VanDerWaalsContact OD1-OG 3.13Å; D238-S240 PolarHBondContact OD2-OG 2.78Å; S240-W262 WeakPolarHBondContact CA-O 3.33Å
241I92.5Very high88.3Confident0 Ų022.5 Ų22.50%011%0.114CC..EExtended strand (participates in β ladder)trans-123125.9176.9-54173.8000108.1C233 C234 W262 P264 V281 I283 L291 W304C233-I241 WeakPolarHBondContact SG-CG2 3.28Å; C234-I241 CarbonylContact O-C 3.56Å; C234-I241 VanDerWaalsContact O-CA 3.3Å; C234-I241 WeakPolarHBondContact O-CA 3.23Å; I241-W262 HydrophobicContact CB-CB 4.33Å; I241-W262 HydrophobicContact CB-CE3 3.92Å; I241-W262 HydrophobicContact CG2-CE3 3.65Å; I241-W262 HydrophobicContact CG2-CZ3 4.02Å; I241-W262 PolarHBondContact N-O 3.29Å; I241-W262 PolarHBondContact O-N 3.34Å; I241-P264 HydrophobicContact CD1-CG 4.09Å; I241-P264 HydrophobicContact CG1-CG 4.33Å; I241-V281 HydrophobicContact CD1-CG1 3.93Å; I241-V281 HydrophobicContact CG1-CG1 4.03Å; I241-I283 HydrophobicContact CD1-CG2 4.28Å; I241-I283 HydrophobicContact CG2-CG2 4.41Å; I241-L291 HydrophobicContact CG2-CD2 4.05Å; I241-W304 HydrophobicContact CD1-CZ2 4.41Å
242I92.7Very high87.1Confident1 Ų125.2 Ų25.21%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-121.6130.4179.7-54.4177.6000109.1P206 C233 C234 Y236 W244 I258P206-I242 HydrophobicContact CG-CD1 3.52Å; C233-I242 CarbonylContact C-O 3.14Å; C233-I242 VanDerWaalsContact CA-O 3.3Å; C233-I242 WeakPolarHBondContact CA-O 3.36Å; C234-I242 PolarHBondContact N-O 2.87Å; C234-I242 PolarHBondContact O-N 3.21Å; Y236-I242 HydrophobicContact CD2-CD1 4.27Å; Y236-I242 HydrophobicContact CD2-CG1 4.36Å; Y236-I242 HydrophobicContact CE2-CB 4.32Å; Y236-I242 HydrophobicContact CE2-CD1 3.55Å; Y236-I242 HydrophobicContact CE2-CG1 3.9Å; I242-W244 HydrophobicContact CB-CE3 4.4Å; I242-W244 HydrophobicContact CB-CH2 3.54Å; I242-W244 HydrophobicContact CB-CZ2 3.82Å; I242-W244 HydrophobicContact CB-CZ3 3.85Å; I242-W244 HydrophobicContact CD1-CH2 4.29Å; I242-W244 HydrophobicContact CD1-CZ2 4.18Å; I242-W244 HydrophobicContact CG1-CH2 4.46Å; I242-W244 HydrophobicContact CG2-CD2 3.84Å; I242-W244 VanDerWaalsContact CG2-CE2 3.47Å; I242-W244 HydrophobicContact CG2-CE3 4.04Å; I242-W244 HydrophobicContact CG2-CH2 3.6Å; I242-W244 HydrophobicContact CG2-CZ2 3.36Å; I242-W244 HydrophobicContact CG2-CZ3 3.92Å; I242-W244 VanDerWaalsContact O-CZ3 3.29Å; I242-W244 WeakPolarHBondContact O-CZ3 3.38Å; I242-I258 HydrophobicContact CG2-CG1 4.43Å; I242-I258 HydrophobicContact CG2-CG2 4.14Å
243L93.9Very high86.1Confident0 Ų029.1 Ų29.10%016%0.164CC..EExtended strand (participates in β ladder)trans-111.3123.4174.717963.5000108.7L231 L232 C233 L259 N260 W262 F285 T306L231-L243 HydrophobicContact CB-CD1 4.21Å; L231-L243 HydrophobicContact CD2-CD1 4.36Å; L232-L243 CarbonylContact O-C 3.5Å; L232-L243 WeakPolarHBondContact O-CA 3.4Å; L232-L243 WeakPolarHBondContact O-CD1 3.39Å; C233-L243 HydrophobicContact CB-CD1 3.97Å; L243-L259 HydrophobicContact CD2-CB 4.48Å; L243-L259 HydrophobicContact CD2-CD2 3.75Å; L243-L259 HydrophobicContact CD2-CG 4.4Å; L243-L259 HydrophobicContact CG-CB 4.21Å; L243-L259 HydrophobicContact CG-CD2 4.15Å; L243-L259 WeakPolarHBondContact O-CB 3.2Å; L243-L259 PolarHBondContact O-N 3.04Å; L243-N260 HydrophobicContact CB-CB 4.34Å; L243-N260 PolarHBondContact N-O 2.75Å; L243-N260 PolarHBondContact O-N 2.55Å; L243-W262 HydrophobicContact CB-CH2 3.99Å; L243-W262 HydrophobicContact CB-CZ3 3.78Å; L243-W262 HydrophobicContact CD2-CH2 3.77Å; L243-W262 HydrophobicContact CD2-CZ3 4.34Å; L243-F285 HydrophobicContact CD1-CE1 4.03Å; L243-F285 HydrophobicContact CD1-CZ 3.65Å; L243-T306 HydrophobicContact CD2-CG2 3.8Å
244W92.8Very high85.2Confident0 Ų030.8 Ų30.80%017%0.174CC..EExtended strand (participates in β ladder)trans-106.1145.6170.4-59.4-96.1000110.4I184 L203 P204 L231 L232 C234 Y236 I242 L246 L257I184-W244 HydrophobicContact CG1-CH2 3.97Å; I184-W244 HydrophobicContact CG1-CZ2 4.49Å; L203-W244 HydrophobicContact CD1-CD2 4.05Å; L203-W244 HydrophobicContact CD1-CG 4.07Å; P204-W244 WeakPolarHBondContact O-CZ2 3.37Å; P204-W244 PolarHBondContact O-NE1 2.68Å; L231-W244 WeakPolarHBondContact CA-O 3.45Å; L232-W244 HydrophobicContact CB-CB 4.45Å; L232-W244 HydrophobicContact CB-CE3 4.37Å; L232-W244 HydrophobicContact CD2-CE3 4.4Å; L232-W244 HydrophobicContact CG-CE3 4.32Å; L232-W244 PolarHBondContact N-O 2.85Å; L232-W244 PolarHBondContact O-N 2.8Å; C234-W244 HydrophobicContact CB-CH2 3.8Å; C234-W244 HydrophobicContact CB-CZ3 3.49Å; C234-W244 VanDerWaalsContact CB-CZ3 3.49Å; Y236-W244 HydrophobicContact CE2-CH2 4.24Å; I242-W244 HydrophobicContact CB-CE3 4.4Å; I242-W244 HydrophobicContact CB-CH2 3.54Å; I242-W244 HydrophobicContact CB-CZ2 3.82Å; I242-W244 HydrophobicContact CB-CZ3 3.85Å; I242-W244 HydrophobicContact CD1-CH2 4.29Å; I242-W244 HydrophobicContact CD1-CZ2 4.18Å; I242-W244 HydrophobicContact CG1-CH2 4.46Å; I242-W244 HydrophobicContact CG2-CD2 3.84Å; I242-W244 VanDerWaalsContact CG2-CE2 3.47Å; I242-W244 HydrophobicContact CG2-CE3 4.04Å; I242-W244 HydrophobicContact CG2-CH2 3.6Å; I242-W244 HydrophobicContact CG2-CZ2 3.36Å; I242-W244 HydrophobicContact CG2-CZ3 3.92Å; I242-W244 VanDerWaalsContact O-CZ3 3.29Å; I242-W244 WeakPolarHBondContact O-CZ3 3.38Å; W244-L246 HydrophobicContact CB-CD2 3.98Å; W244-L246 HydrophobicContact CB-CG 4.33Å; W244-L257 CarbonylContact C-O 3.55Å; W244-L257 WeakPolarHBondContact CA-O 3.29Å
245N91.5Very high84.4Confident40 Ų4036.7 Ų36.721%0.21420%0.201CC..EExtended strand (participates in β ladder)trans-109.3109.2166.2-175.6-12.4000109T230 L231 H247 L257 L259T230-N245 WeakPolarHBondContact CB-OD1 3.49Å; T230-N245 PolarHBondContact OG1-OD1 2.92Å; L231-N245 HydrophobicContact CD2-CB 3.99Å; N245-H247 VanDerWaalsContact CG-CE1 3.48Å; N245-H247 PolarHBondContact OD1-CE1 3.21Å; N245-L257 PolarHBondContact N-O 3.02Å; N245-L259 HydrophobicContact CB-CB 4.33Å; N245-L259 HydrophobicContact CB-CD2 4.38Å
246L90.2Very high83.9Confident0 Ų044.8 Ų44.80%024%0.237CC..  trans-103.9125-175.7-54-176.8000109.9I169 L170 L186 L203 T230 L232 W244 L257I169-L246 HydrophobicContact CD1-CD1 3.77Å; I169-L246 HydrophobicContact CD1-CG 4.41Å; L170-L246 HydrophobicContact CD2-CB 4.15Å; L170-L246 WeakPolarHBondContact CD2-O 3.4Å; L186-L246 HydrophobicContact CD1-CD1 3.8Å; L186-L246 HydrophobicContact CD2-CD1 4.39Å; L203-L246 HydrophobicContact CD1-CD1 4.33Å; L203-L246 HydrophobicContact CD1-CD2 4.31Å; L203-L246 HydrophobicContact CD2-CD2 3.85Å; T230-L246 VanDerWaalsContact CA-O 3.31Å; T230-L246 WeakPolarHBondContact CA-O 3.36Å; T230-L246 WeakPolarHBondContact CB-O 3.09Å; T230-L246 WeakPolarHBondContact CG2-O 3.43Å; T230-L246 PolarHBondContact O-N 2.96Å; L232-L246 HydrophobicContact CB-CD1 4.3Å; L232-L246 HydrophobicContact CD2-CD1 4.2Å; W244-L246 HydrophobicContact CB-CD2 3.98Å; W244-L246 HydrophobicContact CB-CG 4.33Å; L246-L257 HydrophobicContact CD2-CB 4.11Å; L246-L257 HydrophobicContact CD2-CD1 3.82Å; L246-L257 HydrophobicContact CD2-CG 4.41Å
247H86.5Confident83.7Confident111 Ų11146 Ų4651%0.51424%0.243SC..  trans-105.5147.9172.4-63.481.9000110N245 P249 I250N245-H247 VanDerWaalsContact CG-CE1 3.48Å; N245-H247 PolarHBondContact OD1-CE1 3.21Å; H247-P249 CarbonylContact O-C 3.5Å; H247-P249 VanDerWaalsContact O-O 3.12Å; H247-I250 PolarHBondContact O-N 3.24Å
248W80.8Confident83.9Confident75 Ų7547.8 Ų47.828%0.28425%0.25SS..SBendtrans-93.9132.6171.2-177.3-88.2000110.6L170 R173 V174 L188 L555 T559L170-W248 HydrophobicContact CD1-CB 4.33Å; L170-W248 HydrophobicContact CD1-CE3 3.91Å; R173-W248 VanDerWaalsContact NH1-CG 3.35Å; V174-W248 HydrophobicContact CG2-CE3 4.34Å; V174-W248 HydrophobicContact CG2-CZ3 4Å; L188-W248 HydrophobicContact CD1-CH2 3.8Å; L188-W248 HydrophobicContact CD1-CZ3 4.23Å; W248-L555 HydrophobicContact CZ2-CD2 4.26Å; W248-T559 HydrophobicContact CZ2-CG2 4.48Å
249P78.3Confident84.2Confident48 Ų4849 Ų4931%0.31226%0.257SS..SBendcis-75.3150.4-5.13.812.8000111.4H247 I251H247-P249 CarbonylContact O-C 3.5Å; H247-P249 VanDerWaalsContact O-O 3.12Å; P249-I251 HydrophobicContact CB-CD1 3.8Å; P249-I251 HydrophobicContact CB-CG1 4Å; P249-I251 HydrophobicContact CG-CD1 3.71Å; P249-I251 HydrophobicContact CG-CG1 4.45Å; P249-I251 PolarHBondContact O-N 2.97Å
250I76.8Confident84.5Confident16 Ų1649.2 Ų49.28%0.08226%0.258CS..  trans-72.8103.5176-54.8176.9000107.5L170 L186 H247 L257L170-I250 HydrophobicContact CD1-CD1 3.93Å; L170-I250 HydrophobicContact CD1-CG1 3.91Å; L186-I250 HydrophobicContact CD1-CD1 3.49Å; L186-I250 VanDerWaalsContact CD1-CD1 3.49Å; H247-I250 PolarHBondContact O-N 3.24Å; I250-L257 HydrophobicContact CG2-CD1 4.22Å
251I74.5Confident84.5Confident134 Ų13452.9 Ų52.969%0.68727%0.274SS*.  trans-134.2143.6-176.5-60.7165.5000108.8P249P249-I251 HydrophobicContact CB-CD1 3.8Å; P249-I251 HydrophobicContact CB-CG1 4Å; P249-I251 HydrophobicContact CG-CD1 3.71Å; P249-I251 HydrophobicContact CG-CG1 4.45Å; P249-I251 PolarHBondContact O-N 2.97Å
252G68.7Low84.5Confident61 Ų6153 Ų5363%0.62928%0.275SS*.SBendtrans99.8-163.2170.300000114T254G252-T254 PolarHBondContact O-N 3.46Å
253D73.5Confident84.2Confident83 Ų8355.8 Ų55.844%0.44429%0.29SS..  trans-70.4115.1-179.8178.38000110.4H255 K256D253-H255 PolarHBondContact O-N 2.95Å; D253-H255 WeakPolarHBondContact OD1-CB 3.13Å; D253-H255 IonicContact OD1-CD2 3.91Å; D253-H255 PolarHBondContact OD1-CD2 3.31Å; D253-H255 IonicContact OD1-CG 3.03Å; D253-H255 PolarHBondContact OD1-N 3.49Å; D253-K256 HydrophobicContact CB-CD 4.25Å; D253-K256 HydrophobicContact CB-CG 4.25Å; D253-K256 PolarHBondContact O-N 2.92Å; D253-K256 VanDerWaalsContact O-N 3.16Å
254T75.1Confident83.6Confident35 Ų3556.2 Ų56.222%0.21529%0.293CS..G310 helixtrans-66.7-21.1-176.258.50000112.5P204 G252 K256 L257P204-T254 WeakPolarHBondContact CD-OG1 3.44Å; P204-T254 VanDerWaalsContact CG-O 3.26Å; P204-T254 WeakPolarHBondContact CG-O 3.42Å; G252-T254 PolarHBondContact O-N 3.46Å; T254-K256 PolarHBondContact O-N 3.29Å; T254-L257 HydrophobicContact CG2-CD1 4.27Å; T254-L257 VanDerWaalsContact O-CB 3.26Å; T254-L257 WeakPolarHBondContact O-CB 3.32Å; T254-L257 WeakPolarHBondContact O-CG 3.44Å; T254-L257 PolarHBondContact O-N 3.22Å; T254-L257 VanDerWaalsContact O-N 3.12Å
255H76.4Confident82.9Confident123 Ų12359 Ų5957%0.56931%0.305SS*.G310 helixtrans-65.2-29.5175.6-72.6-80.1000112.6P204 D253 L257 I258P204-H255 VanDerWaalsContact CB-CE1 3.49Å; P204-H255 WeakPolarHBondContact CB-CE1 3.3Å; D253-H255 PolarHBondContact O-N 2.95Å; D253-H255 WeakPolarHBondContact OD1-CB 3.13Å; D253-H255 IonicContact OD1-CD2 3.91Å; D253-H255 PolarHBondContact OD1-CD2 3.31Å; D253-H255 IonicContact OD1-CG 3.03Å; D253-H255 PolarHBondContact OD1-N 3.49Å; H255-L257 PolarHBondContact O-N 3.22Å; H255-I258 PolarHBondContact O-N 3.16Å
256K81.5Confident82.2Confident170 Ų17061 Ų6174%0.73932%0.321SS*.G310 helixtrans-73.3-9.8176.8-61.3-177.3-177.51790113.1D253 T254 I258D253-K256 HydrophobicContact CB-CD 4.25Å; D253-K256 HydrophobicContact CB-CG 4.25Å; D253-K256 PolarHBondContact O-N 2.92Å; D253-K256 VanDerWaalsContact O-N 3.16Å; T254-K256 PolarHBondContact O-N 3.29Å; K256-I258 VanDerWaalsContact C-N 3.34Å
257L87.5Confident81.6Confident27 Ų2764.6 Ų64.614%0.14134%0.337CS..G310 helixtrans-81.1-16.8177.9-55.5173.8000112.2L203 W244 N245 L246 I250 T254 H255 L259L203-L257 HydrophobicContact CD2-CD1 4.02Å; W244-L257 CarbonylContact C-O 3.55Å; W244-L257 WeakPolarHBondContact CA-O 3.29Å; N245-L257 PolarHBondContact N-O 3.02Å; L246-L257 HydrophobicContact CD2-CB 4.11Å; L246-L257 HydrophobicContact CD2-CD1 3.82Å; L246-L257 HydrophobicContact CD2-CG 4.41Å; I250-L257 HydrophobicContact CG2-CD1 4.22Å; T254-L257 HydrophobicContact CG2-CD1 4.27Å; T254-L257 VanDerWaalsContact O-CB 3.26Å; T254-L257 WeakPolarHBondContact O-CB 3.32Å; T254-L257 WeakPolarHBondContact O-CG 3.44Å; T254-L257 PolarHBondContact O-N 3.22Å; T254-L257 VanDerWaalsContact O-N 3.12Å; H255-L257 PolarHBondContact O-N 3.22Å; L257-L259 PolarHBondContact O-N 3.27Å
258I89.4Confident81Confident59 Ų5960.9 Ų60.930%0.30332%0.321SS..EExtended strand (participates in β ladder)trans-68.7115.9175.2-62170.6000108.2P204 I242 H255 K256P204-I258 HydrophobicContact CG-CD1 4.16Å; P204-I258 HydrophobicContact CG-CG1 4.37Å; I242-I258 HydrophobicContact CG2-CG1 4.43Å; I242-I258 HydrophobicContact CG2-CG2 4.14Å; H255-I258 PolarHBondContact O-N 3.16Å; K256-I258 VanDerWaalsContact C-N 3.34Å
259L90.1Very high80.3Confident43 Ų4361.3 Ų61.323%0.22534%0.336CS..EExtended strand (participates in β ladder)trans-85.2-48.3176.7-174.863.3000111L231 L243 N245 L257 T306 P308L231-L259 HydrophobicContact CD2-CD2 3.99Å; L243-L259 HydrophobicContact CD2-CB 4.48Å; L243-L259 HydrophobicContact CD2-CD2 3.75Å; L243-L259 HydrophobicContact CD2-CG 4.4Å; L243-L259 HydrophobicContact CG-CB 4.21Å; L243-L259 HydrophobicContact CG-CD2 4.15Å; L243-L259 WeakPolarHBondContact O-CB 3.2Å; L243-L259 PolarHBondContact O-N 3.04Å; N245-L259 HydrophobicContact CB-CB 4.33Å; N245-L259 HydrophobicContact CB-CD2 4.38Å; L257-L259 PolarHBondContact O-N 3.27Å; L259-T306 VanDerWaalsContact CD2-O 3.31Å; L259-T306 WeakPolarHBondContact CD2-O 3.26Å; L259-P308 HydrophobicContact CD1-CB 4.17Å; L259-P308 HydrophobicContact CD1-CG 3.76Å
260N91.9Very high79.3Confident6 Ų666.3 Ų66.33%0.03237%0.365CS..EExtended strand (participates in β ladder)trans-145.7148.9178.1-76.2-51.8000111.2L243 W262 T306 S307 S309L243-N260 HydrophobicContact CB-CB 4.34Å; L243-N260 PolarHBondContact N-O 2.75Å; L243-N260 PolarHBondContact O-N 2.55Å; N260-W262 HydrophobicContact CB-CD2 4.27Å; N260-W262 HydrophobicContact CB-CE3 4.44Å; N260-W262 HydrophobicContact CB-CH2 3.73Å; N260-W262 HydrophobicContact CB-CZ2 3.45Å; N260-W262 VanDerWaalsContact CB-CZ2 3.45Å; N260-W262 HydrophobicContact CB-CZ3 4.2Å; N260-T306 PolarHBondContact ND2-O 3.02Å; N260-S307 PolarHBondContact ND2-O 2.93Å; N260-S307 PolarHBondContact OD1-O 2.9Å; N260-S309 PolarHBondContact OD1-N 2.76Å
261H90.8Very high78.2Confident79 Ų7970.3 Ų70.337%0.36640%0.395SS..EExtended strand (participates in β ladder)trans-129.8121.3169.8173-136000108.1
262W91Very high77.3Confident1 Ų167.8 Ų67.80%0.00438%0.382CS..EExtended strand (participates in β ladder)trans-113.3134.9177.5-58.1-70.5000109.7S240 I241 L243 N260 P264 L291 W304 N305 C310S240-W262 WeakPolarHBondContact CA-O 3.33Å; I241-W262 HydrophobicContact CB-CB 4.33Å; I241-W262 HydrophobicContact CB-CE3 3.92Å; I241-W262 HydrophobicContact CG2-CE3 3.65Å; I241-W262 HydrophobicContact CG2-CZ3 4.02Å; I241-W262 PolarHBondContact N-O 3.29Å; I241-W262 PolarHBondContact O-N 3.34Å; L243-W262 HydrophobicContact CB-CH2 3.99Å; L243-W262 HydrophobicContact CB-CZ3 3.78Å; L243-W262 HydrophobicContact CD2-CH2 3.77Å; L243-W262 HydrophobicContact CD2-CZ3 4.34Å; N260-W262 HydrophobicContact CB-CD2 4.27Å; N260-W262 HydrophobicContact CB-CE3 4.44Å; N260-W262 HydrophobicContact CB-CH2 3.73Å; N260-W262 HydrophobicContact CB-CZ2 3.45Å; N260-W262 VanDerWaalsContact CB-CZ2 3.45Å; N260-W262 HydrophobicContact CB-CZ3 4.2Å; W262-P264 WeakPolarHBondContact O-CD 3.4Å; W262-L291 HydrophobicContact CE3-CD2 4.2Å; W262-L291 HydrophobicContact CH2-CD2 3.93Å; W262-L291 HydrophobicContact CZ3-CD2 3.45Å; W262-L291 VanDerWaalsContact CZ3-CD2 3.45Å; W262-W304 HydrophobicContact CB-CE3 4.4Å; W262-W304 HydrophobicContact CB-CH2 4.07Å; W262-W304 HydrophobicContact CB-CZ3 3.97Å; W262-W304 AromaticContact CD1-CE3 3.49Å; W262-W304 VanDerWaalsContact CD1-CE3 3.49Å; W262-W304 AromaticContact CD1-CZ3 3.51Å; W262-W304 HydrophobicContact CD2-CD2 4.39Å; W262-W304 HydrophobicContact CD2-CE3 4.16Å; W262-W304 HydrophobicContact CG-CD2 4.35Å; W262-W304 AromaticContact CG-CE3 3.78Å; W262-W304 HydrophobicContact CG-CE3 3.78Å; W262-W304 HydrophobicContact CG-CH2 4.32Å; W262-W304 AromaticContact CG-CZ3 3.77Å; W262-W304 HydrophobicContact CG-CZ3 3.77Å; W262-W304 HydrophobicContact CZ2-CB 4.19Å; W262-W304 AromaticContact NE1-CE3 3.68Å; W262-N305 WeakPolarHBondContact CZ2-O 3.3Å; W262-C310 PolarHBondContact NE1-O 2.9Å
263D87Confident76.3Confident61 Ų6174 Ų7433%0.32639%0.391SS..  trans-113.791.9168.2-179.711.6000109.4K265 S266D263-K265 PolarHBondContact O-N 3.39Å; D263-K265 VanDerWaalsContact O-N 3.1Å; D263-K265 WeakPolarHBondContact OD1-CB 3.48Å; D263-K265 WeakPolarHBondContact OD1-CD 3.34Å; D263-K265 WeakPolarHBondContact OD1-CG 3.48Å; D263-K265 PolarHBondContact OD1-N 2.86Å; D263-S266 WeakPolarHBondContact O-CB 3.27Å; D263-S266 PolarHBondContact O-N 3.03Å; D263-S266 VanDerWaalsContact O-N 3.13Å; D263-S266 PolarHBondContact O-OG 3.14Å
264P82Confident75.2Confident9 Ų973 Ų736%0.05839%0.385CS..G310 helixtrans-54.9-24.5175.3-26.535.4000114G239 I241 W262 S266 F267 W304G239-P264 WeakPolarHBondContact O-CD 3.44Å; G239-P264 VanDerWaalsContact O-CG 3.32Å; G239-P264 WeakPolarHBondContact O-CG 3.25Å; I241-P264 HydrophobicContact CD1-CG 4.09Å; I241-P264 HydrophobicContact CG1-CG 4.33Å; W262-P264 WeakPolarHBondContact O-CD 3.4Å; P264-S266 PolarHBondContact O-N 3.31Å; P264-F267 WeakPolarHBondContact O-CD2 3.26Å; P264-F267 PolarHBondContact O-N 3.17Å; P264-F267 VanDerWaalsContact O-N 3.11Å; P264-W304 HydrophobicContact CG-CH2 4.27Å; P264-W304 HydrophobicContact CG-CZ2 4.07Å
265K78Confident73.9Confident59 Ų5977.9 Ų77.926%0.25741%0.41SS..G310 helixtrans-63.8-31.5179-65.3158.4149.1163.40112.7D238 D263 F267 L268 Y279D238-K265 VanDerWaalsContact CB-NZ 3.27Å; D238-K265 WeakPolarHBondContact O-CD 3.39Å; D238-K265 WeakPolarHBondContact O-CE 3.13Å; D238-K265 PolarHBondContact O-NZ 3.13Å; D238-K265 IonicContact OD2-NZ 3.39Å; D263-K265 PolarHBondContact O-N 3.39Å; D263-K265 VanDerWaalsContact O-N 3.1Å; D263-K265 WeakPolarHBondContact OD1-CB 3.48Å; D263-K265 WeakPolarHBondContact OD1-CD 3.34Å; D263-K265 WeakPolarHBondContact OD1-CG 3.48Å; D263-K265 PolarHBondContact OD1-N 2.86Å; K265-F267 PolarHBondContact O-N 3.49Å; K265-L268 HydrophobicContact CB-CD1 4Å; K265-L268 HydrophobicContact CG-CD1 4.11Å; K265-L268 WeakPolarHBondContact O-CB 3.22Å; K265-L268 WeakPolarHBondContact O-CG 3.4Å; K265-L268 PolarHBondContact O-N 3.44Å; K265-Y279 HydrophobicContact CD-CE1 4.08Å; K265-Y279 VanDerWaalsContact CE-CE1 3.46Å; K265-Y279 VanDerWaalsContact CE-CE2 3.49Å; K265-Y279 WeakPolarHBondContact CE-OH 3.47Å; K265-Y279 HydrophobicContact CG-CD1 4.33Å; K265-Y279 HydrophobicContact CG-CE1 3.49Å; K265-Y279 VanDerWaalsContact CG-CE1 3.49Å
266S76.4Confident72.6Confident80 Ų8077.9 Ų77.956%0.55942%0.423SS*.G310 helixtrans-58.9-18.6176.868.70000112.9D263 P264D263-S266 WeakPolarHBondContact O-CB 3.27Å; D263-S266 PolarHBondContact O-N 3.03Å; D263-S266 VanDerWaalsContact O-N 3.13Å; D263-S266 PolarHBondContact O-OG 3.14Å; P264-S266 PolarHBondContact O-N 3.31Å
267F77.8Confident71.2Confident77 Ų7774.2 Ų74.234%0.33842%0.418SS..G310 helixtrans-96.8-2.5176.9-49.5-65000113.9P264 K265 W304 K312P264-F267 WeakPolarHBondContact O-CD2 3.26Å; P264-F267 PolarHBondContact O-N 3.17Å; P264-F267 VanDerWaalsContact O-N 3.11Å; K265-F267 PolarHBondContact O-N 3.49Å; F267-W304 HydrophobicContact CD2-CH2 4.49Å; F267-W304 AromaticContact CE2-CH2 3.9Å; F267-W304 HydrophobicContact CE2-CH2 3.9Å; F267-W304 HydrophobicContact CE2-CZ3 4.19Å; F267-K312 HydrophobicContact CE1-CG 4.06Å; F267-K312 HydrophobicContact CZ-CG 4.24Å
268L74.6Confident70.2Confident32 Ų3279.8 Ų79.817%0.16844%0.444CS..SBendtrans-71.9134.9178.6-62169.8000110.2K265 T270 I272 M274 Y279 P297 D298K265-L268 HydrophobicContact CB-CD1 4Å; K265-L268 HydrophobicContact CG-CD1 4.11Å; K265-L268 WeakPolarHBondContact O-CB 3.22Å; K265-L268 WeakPolarHBondContact O-CG 3.4Å; K265-L268 PolarHBondContact O-N 3.44Å; L268-T270 PolarHBondContact O-N 3.23Å; L268-I272 HydrophobicContact CD2-CD1 4.23Å; L268-M274 HydrophobicContact CD1-CE 3.62Å; L268-Y279 HydrophobicContact CD1-CE1 4.35Å; L268-P297 HydrophobicContact CD1-CG 3.53Å; L268-P297 HydrophobicContact CD2-CG 3.64Å; L268-P297 HydrophobicContact CG-CG 4.24Å; L268-D298 HydrophobicContact CD2-CB 3.5Å; L268-D298 WeakPolarHBondContact CD2-OD2 3.49Å
269S64.3Low69.4Low85 Ų8578.8 Ų78.859%0.59444%0.436SS*.  trans-62.9133165.3-179.20000108.7S271 I272S269-S271 PolarHBondContact O-N 2.79Å; S269-I272 PolarHBondContact O-N 3.38Å
270T58Low68.8Low153 Ų15380.2 Ų80.294%0.93945%0.449SS*.THydrogen-bonded Turntrans-55.6-8.7-178.349.50000114.4L268L268-T270 PolarHBondContact O-N 3.23Å
271S53.3Low68.6Low99 Ų9980.4 Ų80.469%0.69245%0.45SS*.THydrogen-bonded Turntrans-77.1-16.2-180-170.50000115.1S269 K273S269-S271 PolarHBondContact O-N 2.79Å; S271-K273 VanDerWaalsContact C-N 3.33Å; S271-K273 PolarHBondContact O-N 2.87Å
272I56.5Low68.6Low82 Ų8277.5 Ų77.542%0.42144%0.438SS..  trans-80.487.5178.2-52174.1000108.3L268 S269 M274 D298L268-I272 HydrophobicContact CD2-CD1 4.23Å; S269-I272 PolarHBondContact O-N 3.38Å; I272-M274 VanDerWaalsContact C-N 3.31Å; I272-M274 HydrophobicContact CG2-CE 4.17Å; I272-M274 HydrophobicContact CG2-CG 3.91Å; I272-M274 PolarHBondContact O-N 2.86Å; I272-D298 HydrophobicContact CD1-CB 4.42Å
273K46.9Very low68.8Low191 Ų19177.5 Ų77.583%0.8344%0.437SS*.  trans-69.585.6176.8-153.1179.6-171.2-177.60109.1S271 N275S271-K273 VanDerWaalsContact C-N 3.33Å; S271-K273 PolarHBondContact O-N 2.87Å; K273-N275 PolarHBondContact O-N 2.75Å; K273-N275 VanDerWaalsContact O-N 3.08Å
274M51.2Low69.2Low61 Ų6174.7 Ų74.730%0.342%0.423SS..  trans-75.997.7-177.6-81.1-168.7-11700111.8L268 I272 S276 Y279 P297L268-M274 HydrophobicContact CD1-CE 3.62Å; I272-M274 VanDerWaalsContact C-N 3.31Å; I272-M274 HydrophobicContact CG2-CE 4.17Å; I272-M274 HydrophobicContact CG2-CG 3.91Å; I272-M274 PolarHBondContact O-N 2.86Å; M274-S276 PolarHBondContact O-N 2.92Å; M274-Y279 HydrophobicContact CE-CE1 4.01Å; M274-Y279 WeakPolarHBondContact CE-OH 3.42Å; M274-Y279 HydrophobicContact SD-CE1 4.2Å; M274-Y279 HydrophobicContact SD-CE2 3.94Å; M274-Y279 VanDerWaalsContact SD-CZ 3.54Å; M274-Y279 PolarHBondContact SD-OH 3.46Å; M274-Y279 VanDerWaalsContact SD-OH 3.33Å; M274-P297 HydrophobicContact CE-CB 3.26Å; M274-P297 HydrophobicContact CE-CG 3.27Å; M274-P297 HydrophobicContact SD-CB 3.47Å; M274-P297 WeakPolarHBondContact SD-CB 3.4Å; M274-P297 HydrophobicContact SD-CG 4.07Å
275N47.4Very low69.6Low138 Ų13875 Ų7574%0.73842%0.423SS*.SBendtrans-81.396.6159.2-72.2-7000108K273 C277K273-N275 PolarHBondContact O-N 2.75Å; K273-N275 VanDerWaalsContact O-N 3.08Å; N275-C277 PolarHBondContact O-N 3.34Å
276S48.8Very low70Confident123 Ų12373.1 Ų73.186%0.8642%0.417SS*.SBendtrans66.418.4156.3-162.90000119.5M274M274-S276 PolarHBondContact O-N 2.92Å
277C53.6Low70.1Confident93 Ų9371 Ų7163%0.62840%0.403SS*.PPolyproline II helixtrans-79.4126.7169-68.90000110.8N275N275-C277 PolarHBondContact O-N 3.34Å
278E66Low69.7Low145 Ų14570 Ų7068%0.67840%0.401SS*.PPolyproline II helixtrans-63.7135.3166.7-70.7-173.9163.300109.2
279Y72.4Confident70.2Confident38 Ų3875 Ų7515%0.14942%0.424CS..PPolyproline II helixtrans-71.7134.6173.8-63.6-116.8000107.5N220 S237 K265 L268 M274 P297N220-Y279 PolarHBondContact ND2-O 2.97Å; S237-Y279 WeakPolarHBondContact CA-O 2.85Å; S237-Y279 VanDerWaalsContact O-CB 3.23Å; S237-Y279 WeakPolarHBondContact O-CB 2.89Å; S237-Y279 WeakPolarHBondContact O-CD2 3.35Å; S237-Y279 PolarHBondContact O-N 3.47Å; K265-Y279 HydrophobicContact CD-CE1 4.08Å; K265-Y279 VanDerWaalsContact CE-CE1 3.46Å; K265-Y279 VanDerWaalsContact CE-CE2 3.49Å; K265-Y279 WeakPolarHBondContact CE-OH 3.47Å; K265-Y279 HydrophobicContact CG-CD1 4.33Å; K265-Y279 HydrophobicContact CG-CE1 3.49Å; K265-Y279 VanDerWaalsContact CG-CE1 3.49Å; L268-Y279 HydrophobicContact CD1-CE1 4.35Å; M274-Y279 HydrophobicContact CE-CE1 4.01Å; M274-Y279 WeakPolarHBondContact CE-OH 3.42Å; M274-Y279 HydrophobicContact SD-CE1 4.2Å; M274-Y279 HydrophobicContact SD-CE2 3.94Å; M274-Y279 VanDerWaalsContact SD-CZ 3.54Å; M274-Y279 PolarHBondContact SD-OH 3.46Å; M274-Y279 VanDerWaalsContact SD-OH 3.33Å; Y279-P297 HydrophobicContact CD1-CB 4.38Å; Y279-P297 VanDerWaalsContact CD1-CD 3.49Å; Y279-P297 HydrophobicContact CD1-CG 3.92Å; Y279-P297 HydrophobicContact CE1-CB 4.09Å; Y279-P297 HydrophobicContact CE1-CG 3.45Å; Y279-P297 VanDerWaalsContact CE1-CG 3.45Å
280C77.4Confident71.4Confident72 Ų7272.5 Ų72.549%0.48640%0.403SS..  trans-117118.7172.8-1740000106.5G295 A296C280-G295 CarbonylContact O-C 3.39Å; C280-G295 VanDerWaalsContact O-C 3.28Å; C280-G295 WeakPolarHBondContact O-CA 3.43Å; C280-A296 HydrophobicContact CB-CB 4.38Å; C280-A296 PolarHBondContact O-N 3.41Å
281V86.9Confident73.2Confident11 Ų1165.2 Ų65.27%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-121126.5178.5-1790000107.7T221 I241 I283 A294T221-V281 WeakPolarHBondContact CG2-O 3.41Å; I241-V281 HydrophobicContact CD1-CG1 3.93Å; I241-V281 HydrophobicContact CG1-CG1 4.03Å; V281-I283 HydrophobicContact CG1-CG2 3.9Å; V281-A294 WeakPolarHBondContact CA-O 3.32Å
282D92.3Very high75.2Confident18 Ų1860.5 Ų60.510%0.09633%0.326CS..EExtended strand (participates in β ladder)trans-107.1150.6164.8-16520.6000109.8S293 A294 S328 V329D282-S293 VanDerWaalsContact O-CA 3.26Å; D282-S293 WeakPolarHBondContact O-CA 3.48Å; D282-A294 PolarHBondContact N-O 3.17Å; D282-A294 PolarHBondContact O-N 3.3Å; D282-S328 WeakPolarHBondContact OD2-CA 3.35Å; D282-V329 HydrophobicContact CB-CG1 4.33Å; D282-V329 PolarHBondContact OD2-N 3.21Å
283I94.6Very high77Confident0 Ų056.8 Ų56.80%031%0.307CS..EExtended strand (participates in β ladder)trans-140149.8-173.864.5-175.8000111T221 K223 C233 I241 V281 L291 F292T221-I283 HydrophobicContact CG2-CB 4.34Å; T221-I283 HydrophobicContact CG2-CD1 3.67Å; T221-I283 HydrophobicContact CG2-CG1 3.59Å; T221-I283 HydrophobicContact CG2-CG2 4.11Å; K223-I283 HydrophobicContact CB-CD1 4.08Å; K223-I283 HydrophobicContact CB-CG1 4.02Å; K223-I283 WeakPolarHBondContact CE-O 3.27Å; K223-I283 HydrophobicContact CG-CD1 3.98Å; K223-I283 HydrophobicContact CG-CG1 3.48Å; K223-I283 VanDerWaalsContact CG-CG1 3.48Å; K223-I283 WeakPolarHBondContact CG-O 3.45Å; C233-I283 HydrophobicContact CB-CD1 3.75Å; C233-I283 WeakPolarHBondContact O-CD1 3.48Å; C233-I283 VanDerWaalsContact SG-CD1 3.58Å; I241-I283 HydrophobicContact CD1-CG2 4.28Å; I241-I283 HydrophobicContact CG2-CG2 4.41Å; V281-I283 HydrophobicContact CG1-CG2 3.9Å; I283-L291 HydrophobicContact CB-CD1 4.35Å; I283-F292 CarbonylContact C-O 3.57Å; I283-F292 WeakPolarHBondContact CA-O 3.08Å
284A94.2Very high79.2Confident2 Ų247.8 Ų47.82%0.01727%0.268CS..EExtended strand (participates in β ladder)trans-146.6137.2176.100000112.1F292 V329 V331A284-F292 PolarHBondContact N-O 2.81Å; A284-F292 PolarHBondContact O-N 2.91Å; A284-V329 HydrophobicContact CB-CG1 4.12Å; A284-V329 HydrophobicContact CB-CG2 4.22Å; A284-V331 HydrophobicContact CB-CG2 4.01Å
285F91.9Very high81Confident15 Ų1545.1 Ų45.17%0.06626%0.256CS..EExtended strand (participates in β ladder)trans-89.1130.1171.9-76.3-81.8000110.3K223 L231 C233 L243 L291 T306 V331K223-F285 HydrophobicContact CB-CD2 4.16Å; K223-F285 HydrophobicContact CB-CE2 4.19Å; L231-F285 HydrophobicContact CB-CE1 4.31Å; L231-F285 HydrophobicContact CB-CZ 4.16Å; L231-F285 HydrophobicContact CD1-CE1 4.29Å; C233-F285 HydrophobicContact CB-CE2 3.6Å; C233-F285 HydrophobicContact CB-CZ 3.54Å; L243-F285 HydrophobicContact CD1-CE1 4.03Å; L243-F285 HydrophobicContact CD1-CZ 3.65Å; F285-L291 HydrophobicContact CD1-CD1 3.94Å; F285-L291 HydrophobicContact CD2-CD1 4.16Å; F285-L291 HydrophobicContact CE1-CD1 3.9Å; F285-L291 HydrophobicContact CE2-CD1 4.11Å; F285-L291 HydrophobicContact CG-CD1 4.09Å; F285-L291 HydrophobicContact CZ-CD1 4Å; F285-T306 HydrophobicContact CE1-CG2 4.38Å; F285-V331 WeakPolarHBondContact O-CB 3.18Å
286S86.3Confident82.7Confident20 Ų2039.3 Ų39.314%0.1423%0.228CC..EExtended strand (participates in β ladder)trans-92.6-48.2168.9167.60000112L290 I352S286-L290 PolarHBondContact N-O 3.47Å; S286-I352 WeakPolarHBondContact OG-CD1 3.42Å
287S77.1Confident84.2Confident36 Ų3635.1 Ų35.125%0.25220%0.197SC..EExtended strand (participates in β ladder)trans-149177.1175.661.40000108.2Q289 L290S287-Q289 PolarHBondContact O-N 3.42Å; S287-L290 PolarHBondContact O-N 2.92Å; S287-L290 VanDerWaalsContact O-N 3.13Å
288D69.6Low85.8Confident57 Ų5731.8 Ų31.831%0.30517%0.173SC..THydrogen-bonded Turntrans-64.5-14.7-177.6-52.3-35.4000113S225 L227 D228 L231 T306S225-D288 PolarHBondContact OG-OD1 3.07Å; L227-D288 WeakPolarHBondContact CB-OD1 3.32Å; D228-D288 HydrophobicContact CB-CB 4.08Å; D228-D288 WeakPolarHBondContact CB-OD1 3.37Å; D228-D288 PolarHBondContact N-OD1 2.96Å; L231-D288 HydrophobicContact CD1-CB 4.27Å; D288-T306 WeakPolarHBondContact O-CB 3.28Å; D288-T306 PolarHBondContact O-OG1 3.2Å
289Q85Confident87Confident137 Ų13727.5 Ų27.564%0.6415%0.154SC*.THydrogen-bonded Turntrans-99.9-14.5179.9-64.9-176.47.300114.2S287 N305 T306S287-Q289 PolarHBondContact O-N 3.42Å; Q289-N305 WeakPolarHBondContact O-CA 3.11Å; Q289-N305 PolarHBondContact O-OD1 2.85Å; Q289-T306 WeakPolarHBondContact CA-OG1 2.89Å; Q289-T306 PolarHBondContact O-N 3.27Å; Q289-T306 PolarHBondContact O-OG1 2.81Å
290L91.2Very high87.9Confident32 Ų3226.7 Ų26.717%0.16815%0.152CC..EExtended strand (participates in β ladder)trans-132.3121.7-169.2-72.5172.7000112.7S286 S287 F292 M303 W304 M314 I352S286-L290 PolarHBondContact N-O 3.47Å; S287-L290 PolarHBondContact O-N 2.92Å; S287-L290 VanDerWaalsContact O-N 3.13Å; L290-F292 HydrophobicContact CB-CE2 4.48Å; L290-M303 HydrophobicContact CD2-CG 3.92Å; L290-M303 HydrophobicContact CD2-SD 4.09Å; L290-W304 WeakPolarHBondContact CA-O 3.25Å; L290-M314 HydrophobicContact CD2-SD 3.71Å; L290-I352 HydrophobicContact CD1-CG2 4.02Å
291L94.2Very high88.8Confident0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-115.7138.1173.2-178.979.6000109.4C233 I241 W262 I283 F285 W304 T306C233-L291 HydrophobicContact CB-CD1 4.33Å; C233-L291 VanDerWaalsContact SG-CD2 3.58Å; I241-L291 HydrophobicContact CG2-CD2 4.05Å; W262-L291 HydrophobicContact CE3-CD2 4.2Å; W262-L291 HydrophobicContact CH2-CD2 3.93Å; W262-L291 HydrophobicContact CZ3-CD2 3.45Å; W262-L291 VanDerWaalsContact CZ3-CD2 3.45Å; I283-L291 HydrophobicContact CB-CD1 4.35Å; F285-L291 HydrophobicContact CD1-CD1 3.94Å; F285-L291 HydrophobicContact CD2-CD1 4.16Å; F285-L291 HydrophobicContact CE1-CD1 3.9Å; F285-L291 HydrophobicContact CE2-CD1 4.11Å; F285-L291 HydrophobicContact CG-CD1 4.09Å; F285-L291 HydrophobicContact CZ-CD1 4Å; L291-W304 HydrophobicContact CB-CB 4.22Å; L291-W304 PolarHBondContact N-O 2.93Å; L291-W304 VanDerWaalsContact O-CD1 3.31Å; L291-W304 PolarHBondContact O-N 2.88Å; L291-T306 HydrophobicContact CB-CG2 3.93Å
292F95.3Very high89.2Confident0 Ų023.1 Ų23.10%013%0.127CC..EExtended strand (participates in β ladder)trans-109.3144.7171.6-67.2-89.7000110.1I283 A284 L290 R302 M303 V329 V331 L338 I352 F355I283-F292 CarbonylContact C-O 3.57Å; I283-F292 WeakPolarHBondContact CA-O 3.08Å; A284-F292 PolarHBondContact N-O 2.81Å; A284-F292 PolarHBondContact O-N 2.91Å; L290-F292 HydrophobicContact CB-CE2 4.48Å; F292-R302 CarbonylContact C-O 3.56Å; F292-R302 VanDerWaalsContact CA-O 3.27Å; F292-R302 WeakPolarHBondContact CA-O 3.19Å; F292-M303 HydrophobicContact CD1-CB 4.11Å; F292-M303 HydrophobicContact CD1-CG 4.34Å; F292-M303 HydrophobicContact CE1-CB 3.76Å; F292-M303 HydrophobicContact CE1-CG 3.69Å; F292-M303 HydrophobicContact CE1-SD 4.03Å; F292-M303 HydrophobicContact CZ-CB 4.46Å; F292-M303 HydrophobicContact CZ-CG 3.89Å; F292-M303 HydrophobicContact CZ-SD 3.99Å; F292-V329 HydrophobicContact CB-CG2 4.04Å; F292-V331 HydrophobicContact CD2-CG2 3.9Å; F292-V331 HydrophobicContact CE2-CG2 4.3Å; F292-L338 HydrophobicContact CB-CD1 4.04Å; F292-L338 HydrophobicContact CD1-CD1 4.01Å; F292-L338 HydrophobicContact CD1-CD2 3.7Å; F292-L338 HydrophobicContact CD2-CD1 3.86Å; F292-L338 HydrophobicContact CE1-CD1 4.47Å; F292-L338 HydrophobicContact CE1-CD2 3.84Å; F292-L338 HydrophobicContact CE2-CD1 4.36Å; F292-L338 HydrophobicContact CG-CD1 3.67Å; F292-L338 HydrophobicContact CG-CD2 4.24Å; F292-I352 HydrophobicContact CE2-CD1 4.21Å; F292-I352 HydrophobicContact CE2-CG1 4.24Å; F292-I352 HydrophobicContact CE2-CG2 4.33Å; F292-I352 HydrophobicContact CZ-CB 4.44Å; F292-I352 HydrophobicContact CZ-CD1 4.46Å; F292-I352 HydrophobicContact CZ-CG1 3.98Å; F292-I352 HydrophobicContact CZ-CG2 3.92Å; F292-F355 HydrophobicContact CD1-CE2 4.43Å; F292-F355 HydrophobicContact CD1-CZ 4.28Å; F292-F355 HydrophobicContact CE1-CD2 4.23Å; F292-F355 HydrophobicContact CE1-CE1 4.32Å; F292-F355 HydrophobicContact CE1-CE2 4Å; F292-F355 HydrophobicContact CE1-CZ 4.06Å
293S94.8Very high89.3Confident3 Ų323.3 Ų23.32%0.02113%0.128CC..EExtended strand (participates in β ladder)trans-134.6145.6170.971.50000111.4D282 R302 W304D282-S293 VanDerWaalsContact O-CA 3.26Å; D282-S293 WeakPolarHBondContact O-CA 3.48Å; S293-R302 PolarHBondContact N-O 2.85Å; S293-R302 PolarHBondContact O-N 2.85Å; S293-W304 PolarHBondContact OG-NE1 2.83Å
294A93.4Very high89.3Confident3 Ų323.3 Ų23.33%0.02513%0.128CC..EExtended strand (participates in β ladder)trans-139.5162.6173.600000110.2V281 D282 L301 V329V281-A294 WeakPolarHBondContact CA-O 3.32Å; D282-A294 PolarHBondContact N-O 3.17Å; D282-A294 PolarHBondContact O-N 3.3Å; A294-L301 HydrophobicContact CB-CD1 3.97Å; A294-V329 HydrophobicContact CB-CB 4.24Å; A294-V329 HydrophobicContact CB-CG1 4.18Å
295G87.9Confident89.2Confident4 Ų425.1 Ų25.14%0.04114%0.137CC..EExtended strand (participates in β ladder)trans124.2-172.6169.500000115.4C280 M299 Y326C280-G295 CarbonylContact O-C 3.39Å; C280-G295 VanDerWaalsContact O-C 3.28Å; C280-G295 WeakPolarHBondContact O-CA 3.43Å; G295-M299 VanDerWaalsContact C-SD 3.6Å; G295-M299 WeakPolarHBondContact O-CA 3.31Å; G295-M299 PolarHBondContact O-N 3.04Å; G295-Y326 VanDerWaalsContact CA-O 3.28Å; G295-Y326 WeakPolarHBondContact CA-O 3.34Å; G295-Y326 PolarHBondContact N-O 3.02Å
296A83.7Confident89.1Confident17 Ų1724.7 Ų24.714%0.1414%0.136CC..THydrogen-bonded Turntrans-64.8143-174.100000111.4C280 M299C280-A296 HydrophobicContact CB-CB 4.38Å; C280-A296 PolarHBondContact O-N 3.41Å; A296-M299 HydrophobicContact CB-CE 3.79Å; A296-M299 HydrophobicContact CB-SD 4.06Å; A296-M299 PolarHBondContact N-SD 2.92Å
297P81.3Confident89.4Confident34 Ų3426.2 Ų26.222%0.22115%0.147CC..THydrogen-bonded Turncis-107.4-2124.741.1-34.7000114.1L268 M274 Y279 M299L268-P297 HydrophobicContact CD1-CG 3.53Å; L268-P297 HydrophobicContact CD2-CG 3.64Å; L268-P297 HydrophobicContact CG-CG 4.24Å; M274-P297 HydrophobicContact CE-CB 3.26Å; M274-P297 HydrophobicContact CE-CG 3.27Å; M274-P297 HydrophobicContact SD-CB 3.47Å; M274-P297 WeakPolarHBondContact SD-CB 3.4Å; M274-P297 HydrophobicContact SD-CG 4.07Å; Y279-P297 HydrophobicContact CD1-CB 4.38Å; Y279-P297 VanDerWaalsContact CD1-CD 3.49Å; Y279-P297 HydrophobicContact CD1-CG 3.92Å; Y279-P297 HydrophobicContact CE1-CB 4.09Å; Y279-P297 HydrophobicContact CE1-CG 3.45Å; Y279-P297 VanDerWaalsContact CE1-CG 3.45Å; P297-M299 VanDerWaalsContact C-N 3.34Å
298D86.3Confident89.8Confident23 Ų2328.8 Ų28.812%0.12316%0.162CC..THydrogen-bonded Turntrans-92.3-3.5-17959.52.1000112.7L268 I272 N300 R302L268-D298 HydrophobicContact CD2-CB 3.5Å; L268-D298 WeakPolarHBondContact CD2-OD2 3.49Å; I272-D298 HydrophobicContact CD1-CB 4.42Å; D298-N300 PolarHBondContact O-N 3.37Å; D298-N300 PolarHBondContact OD1-N 3.13Å; D298-N300 PolarHBondContact OD2-ND2 3.41Å; D298-R302 IonicContact OD1-CZ 3.81Å; D298-R302 IonicContact OD1-NH1 3.54Å; D298-R302 PolarHBondContact OD1-NH1 3.07Å; D298-R302 IonicContact OD1-NH2 3.8Å; D298-R302 IonicContact OD2-CZ 2.76Å; D298-R302 IonicContact OD2-NH1 3.93Å; D298-R302 PolarHBondContact OD2-NH1 2.9Å; D298-R302 IonicContact OD2-NH2 3.71Å; D298-R302 PolarHBondContact OD2-NH2 3.22Å
299M90.6Very high90.4Very high55 Ų5531 Ų3127%0.27118%0.182SC..  trans5525.5177.5-54.3-61.6-171.500112G295 A296 P297 Y326 L327G295-M299 VanDerWaalsContact C-SD 3.6Å; G295-M299 WeakPolarHBondContact O-CA 3.31Å; G295-M299 PolarHBondContact O-N 3.04Å; A296-M299 HydrophobicContact CB-CE 3.79Å; A296-M299 HydrophobicContact CB-SD 4.06Å; A296-M299 PolarHBondContact N-SD 2.92Å; P297-M299 VanDerWaalsContact C-N 3.34Å; M299-Y326 WeakPolarHBondContact O-CB 3.32Å; M299-Y326 WeakPolarHBondContact O-CD2 3.21Å; M299-Y326 PolarHBondContact O-N 3.47Å; M299-L327 HydrophobicContact CE-CD2 3.79Å; M299-L327 HydrophobicContact SD-CD2 3.51Å; M299-L327 VanDerWaalsContact SD-CD2 3.51Å
300N92.9Very high90.3Very high22 Ų2226.2 Ų26.212%0.11816%0.163CC..  trans-81.7142.5-178.1-80.6-32.3000110.3D298 T316 S318 P319D298-N300 PolarHBondContact O-N 3.37Å; D298-N300 PolarHBondContact OD1-N 3.13Å; D298-N300 PolarHBondContact OD2-ND2 3.41Å; N300-T316 HydrophobicContact CB-CG2 4Å; N300-S318 WeakPolarHBondContact OD1-CA 3.23Å; N300-S318 WeakPolarHBondContact OD1-CB 3.22Å; N300-S318 PolarHBondContact OD1-OG 2.89Å; N300-S318 VanDerWaalsContact OD1-OG 3.05Å; N300-P319 VanDerWaalsContact OD1-CD 3.29Å; N300-P319 WeakPolarHBondContact OD1-CD 2.73Å
301L95.2Very high90.1Very high0 Ų030.3 Ų30.30%019%0.185CC..EExtended strand (participates in β ladder)trans-92.1123.3170.5-174.970.3000109.6A294 T316 L317 Y326 V329 L338 T340 Y350 F355A294-L301 HydrophobicContact CB-CD1 3.97Å; L301-T316 WeakPolarHBondContact O-CA 3.44Å; L301-L317 HydrophobicContact CB-CB 4.41Å; L301-L317 HydrophobicContact CD2-CD1 4.39Å; L301-L317 PolarHBondContact N-O 2.79Å; L301-L317 PolarHBondContact O-N 2.76Å; L301-Y326 HydrophobicContact CB-CD1 3.89Å; L301-Y326 HydrophobicContact CB-CD2 3.55Å; L301-Y326 HydrophobicContact CB-CE1 4.05Å; L301-Y326 HydrophobicContact CB-CE2 3.76Å; L301-Y326 HydrophobicContact CB-CG 3.64Å; L301-Y326 HydrophobicContact CD2-CD1 4.12Å; L301-Y326 HydrophobicContact CD2-CE1 3.87Å; L301-Y326 HydrophobicContact CG-CD1 4.42Å; L301-V329 HydrophobicContact CD1-CG2 4.16Å; L301-L338 HydrophobicContact CD2-CD2 3.96Å; L301-T340 HydrophobicContact CD1-CG2 3.69Å; L301-T340 HydrophobicContact CD2-CG2 3.68Å; L301-T340 HydrophobicContact CG-CG2 4.33Å; L301-Y350 HydrophobicContact CD2-CD2 4.38Å; L301-Y350 HydrophobicContact CD2-CE2 4.13Å; L301-F355 HydrophobicContact CD2-CE2 3.51Å; L301-F355 HydrophobicContact CD2-CZ 3.46Å; L301-F355 VanDerWaalsContact CD2-CZ 3.46Å; L301-F355 HydrophobicContact CG-CE2 4.24Å; L301-F355 HydrophobicContact CG-CZ 3.73Å
302R95Very high89.9Confident8 Ų837.6 Ų37.63%0.0322%0.217CC..EExtended strand (participates in β ladder)trans-121.1143.9-176.1-61.5175.2171.989.6-9.7111.2F292 S293 D298 W304 P313 K315 T316F292-R302 CarbonylContact C-O 3.56Å; F292-R302 VanDerWaalsContact CA-O 3.27Å; F292-R302 WeakPolarHBondContact CA-O 3.19Å; S293-R302 PolarHBondContact N-O 2.85Å; S293-R302 PolarHBondContact O-N 2.85Å; D298-R302 IonicContact OD1-CZ 3.81Å; D298-R302 IonicContact OD1-NH1 3.54Å; D298-R302 PolarHBondContact OD1-NH1 3.07Å; D298-R302 IonicContact OD1-NH2 3.8Å; D298-R302 IonicContact OD2-CZ 2.76Å; D298-R302 IonicContact OD2-NH1 3.93Å; D298-R302 PolarHBondContact OD2-NH1 2.9Å; D298-R302 IonicContact OD2-NH2 3.71Å; D298-R302 PolarHBondContact OD2-NH2 3.22Å; R302-W304 HydrophobicContact CB-CZ2 3.93Å; R302-W304 HydrophobicContact CG-CZ2 4.25Å; R302-P313 HydrophobicContact CB-CB 4.18Å; R302-P313 HydrophobicContact CG-CB 4.44Å; R302-K315 WeakPolarHBondContact CA-O 3.39Å; R302-T316 HydrophobicContact CG-CG2 4.01Å
303M94.9Very high89.8Confident21 Ų2138.8 Ų38.810%0.10322%0.224CC..EExtended strand (participates in β ladder)trans-112.1128171.1-177.2177.674.700108.7L290 F292 P313 M314 K315 F355L290-M303 HydrophobicContact CD2-CG 3.92Å; L290-M303 HydrophobicContact CD2-SD 4.09Å; F292-M303 HydrophobicContact CD1-CB 4.11Å; F292-M303 HydrophobicContact CD1-CG 4.34Å; F292-M303 HydrophobicContact CE1-CB 3.76Å; F292-M303 HydrophobicContact CE1-CG 3.69Å; F292-M303 HydrophobicContact CE1-SD 4.03Å; F292-M303 HydrophobicContact CZ-CB 4.46Å; F292-M303 HydrophobicContact CZ-CG 3.89Å; F292-M303 HydrophobicContact CZ-SD 3.99Å; M303-P313 CarbonylContact O-C 3.54Å; M303-P313 WeakPolarHBondContact O-CA 3.49Å; M303-M314 HydrophobicContact CE-CB 3.66Å; M303-M314 HydrophobicContact CE-CE 4.14Å; M303-M314 HydrophobicContact CE-SD 4.17Å; M303-M314 PolarHBondContact O-N 2.86Å; M303-K315 HydrophobicContact CB-CB 4.35Å; M303-K315 HydrophobicContact CE-CB 3.89Å; M303-K315 PolarHBondContact N-O 3.12Å; M303-K315 PolarHBondContact O-N 2.83Å; M303-F355 HydrophobicContact CB-CD1 3.98Å; M303-F355 HydrophobicContact CB-CE1 3.76Å; M303-F355 HydrophobicContact CE-CD1 4.44Å; M303-F355 HydrophobicContact SD-CD1 4.06Å; M303-F355 HydrophobicContact SD-CG 4.46Å
304W94.3Very high89.7Confident0 Ų043.6 Ų43.60%025%0.248CC..EExtended strand (participates in β ladder)trans-119.4140.9-175.7-50.893.5000110.4I241 W262 P264 F267 L290 L291 S293 R302 P313I241-W304 HydrophobicContact CD1-CZ2 4.41Å; W262-W304 HydrophobicContact CB-CE3 4.4Å; W262-W304 HydrophobicContact CB-CH2 4.07Å; W262-W304 HydrophobicContact CB-CZ3 3.97Å; W262-W304 AromaticContact CD1-CE3 3.49Å; W262-W304 VanDerWaalsContact CD1-CE3 3.49Å; W262-W304 AromaticContact CD1-CZ3 3.51Å; W262-W304 HydrophobicContact CD2-CD2 4.39Å; W262-W304 HydrophobicContact CD2-CE3 4.16Å; W262-W304 HydrophobicContact CG-CD2 4.35Å; W262-W304 AromaticContact CG-CE3 3.78Å; W262-W304 HydrophobicContact CG-CE3 3.78Å; W262-W304 HydrophobicContact CG-CH2 4.32Å; W262-W304 AromaticContact CG-CZ3 3.77Å; W262-W304 HydrophobicContact CG-CZ3 3.77Å; W262-W304 HydrophobicContact CZ2-CB 4.19Å; W262-W304 AromaticContact NE1-CE3 3.68Å; P264-W304 HydrophobicContact CG-CH2 4.27Å; P264-W304 HydrophobicContact CG-CZ2 4.07Å; F267-W304 HydrophobicContact CD2-CH2 4.49Å; F267-W304 AromaticContact CE2-CH2 3.9Å; F267-W304 HydrophobicContact CE2-CH2 3.9Å; F267-W304 HydrophobicContact CE2-CZ3 4.19Å; L290-W304 WeakPolarHBondContact CA-O 3.25Å; L291-W304 HydrophobicContact CB-CB 4.22Å; L291-W304 PolarHBondContact N-O 2.93Å; L291-W304 VanDerWaalsContact O-CD1 3.31Å; L291-W304 PolarHBondContact O-N 2.88Å; S293-W304 PolarHBondContact OG-NE1 2.83Å; R302-W304 HydrophobicContact CB-CZ2 3.93Å; R302-W304 HydrophobicContact CG-CZ2 4.25Å; W304-P313 HydrophobicContact CD2-CB 4.19Å; W304-P313 HydrophobicContact CE3-CB 3.88Å; W304-P313 HydrophobicContact CH2-CB 4.14Å; W304-P313 HydrophobicContact CH2-CG 4.3Å; W304-P313 HydrophobicContact CZ2-CB 4.44Å; W304-P313 HydrophobicContact CZ3-CB 3.85Å; W304-P313 HydrophobicContact CZ3-CG 4.16Å
305N92.6Very high89.7Confident40 Ų4046.6 Ų46.621%0.21426%0.26CS..EExtended strand (participates in β ladder)trans-84.3127165.3-167.3-25.7000108.2W262 Q289 S307 C310 M314W262-N305 WeakPolarHBondContact CZ2-O 3.3Å; Q289-N305 WeakPolarHBondContact O-CA 3.11Å; Q289-N305 PolarHBondContact O-OD1 2.85Å; N305-S307 PolarHBondContact O-N 3.48Å; N305-S307 WeakPolarHBondContact OD1-CB 3.45Å; N305-S307 PolarHBondContact OD1-N 2.82Å; N305-S307 PolarHBondContact OD1-OG 3.38Å; N305-C310 HydrophobicContact CB-CB 4.17Å; N305-M314 HydrophobicContact CB-CG 3.9Å; N305-M314 HydrophobicContact CB-SD 3.62Å
306T90.7Very high90Very high7 Ų749.1 Ų49.14%0.04328%0.275CS..  trans-80.1-3.2177.858.90000113L243 L259 N260 F285 D288 Q289 L291L243-T306 HydrophobicContact CD2-CG2 3.8Å; L259-T306 VanDerWaalsContact CD2-O 3.31Å; L259-T306 WeakPolarHBondContact CD2-O 3.26Å; N260-T306 PolarHBondContact ND2-O 3.02Å; F285-T306 HydrophobicContact CE1-CG2 4.38Å; D288-T306 WeakPolarHBondContact O-CB 3.28Å; D288-T306 PolarHBondContact O-OG1 3.2Å; Q289-T306 WeakPolarHBondContact CA-OG1 2.89Å; Q289-T306 PolarHBondContact O-N 3.27Å; Q289-T306 PolarHBondContact O-OG1 2.81Å; L291-T306 HydrophobicContact CB-CG2 3.93Å
307S90.7Very high90.5Very high52 Ų5249.3 Ų49.336%0.36427%0.273SS..SBendtrans-55.3143.3172.8-61.20000110.8N260 N305 C310N260-S307 PolarHBondContact ND2-O 2.93Å; N260-S307 PolarHBondContact OD1-O 2.9Å; N305-S307 PolarHBondContact O-N 3.48Å; N305-S307 WeakPolarHBondContact OD1-CB 3.45Å; N305-S307 PolarHBondContact OD1-N 2.82Å; N305-S307 PolarHBondContact OD1-OG 3.38Å; S307-C310 PolarHBondContact O-N 3.05Å
308P86.9Confident91Very high89 Ų8951.6 Ų51.658%0.57829%0.29SS*.THydrogen-bonded Turntrans-53.4143.8-179.2-17.322.3000112.5L259 C310L259-P308 HydrophobicContact CD1-CB 4.17Å; L259-P308 HydrophobicContact CD1-CG 3.76Å; P308-C310 VanDerWaalsContact C-N 3.25Å; P308-C310 PolarHBondContact O-N 3.45Å
309S81Confident91.2Very high104 Ų10452 Ų5273%0.72729%0.294SS*.THydrogen-bonded Turntrans66.613.5174.5-49.40000116N260 L311N260-S309 PolarHBondContact OD1-N 2.76Å; S309-L311 PolarHBondContact O-N 3.41Å; S309-L311 VanDerWaalsContact O-N 3.12Å
310C84.3Confident91.1Very high36 Ų3655 Ų5524%0.24332%0.315CS..  trans-8287.4174.9-166.40000110.7W262 N305 S307 P308W262-C310 PolarHBondContact NE1-O 2.9Å; N305-C310 HydrophobicContact CB-CB 4.17Å; S307-C310 PolarHBondContact O-N 3.05Å; P308-C310 VanDerWaalsContact C-N 3.25Å; P308-C310 PolarHBondContact O-N 3.45Å
311L86.4Confident90.9Very high119 Ų11957.2 Ų57.262%0.62333%0.327SS*.  trans-79.6-18-171.8-63.5176000115.3S309S309-L311 PolarHBondContact O-N 3.41Å; S309-L311 VanDerWaalsContact O-N 3.12Å
312K90.3Very high90.3Very high153 Ų15366.1 Ų66.167%0.66537%0.369SS*.SBendtrans-107.7147.9-177.4-66.6-172.7179.5-179.20110.9F267 M314F267-K312 HydrophobicContact CE1-CG 4.06Å; F267-K312 HydrophobicContact CZ-CG 4.24Å; K312-M314 PolarHBondContact O-N 2.77Å
313P92.3Very high89.9Confident25 Ų2572.1 Ų72.116%0.16240%0.397CS..  trans-63.1138.5171.727.9-33.2000109.6R302 M303 W304 K315 T316R302-P313 HydrophobicContact CB-CB 4.18Å; R302-P313 HydrophobicContact CG-CB 4.44Å; M303-P313 CarbonylContact O-C 3.54Å; M303-P313 WeakPolarHBondContact O-CA 3.49Å; W304-P313 HydrophobicContact CD2-CB 4.19Å; W304-P313 HydrophobicContact CE3-CB 3.88Å; W304-P313 HydrophobicContact CH2-CB 4.14Å; W304-P313 HydrophobicContact CH2-CG 4.3Å; W304-P313 HydrophobicContact CZ2-CB 4.44Å; W304-P313 HydrophobicContact CZ3-CB 3.85Å; W304-P313 HydrophobicContact CZ3-CG 4.16Å; P313-K315 PolarHBondContact O-N 2.82Å; P313-T316 WeakPolarHBondContact CG-OG1 3.32Å
314M92.7Very high89.7Confident104 Ų10473 Ų7351%0.51240%0.401SS..SBendtrans-61.9-38172.6-67.9-179.670.600111.1L290 M303 N305 K312L290-M314 HydrophobicContact CD2-SD 3.71Å; M303-M314 HydrophobicContact CE-CB 3.66Å; M303-M314 HydrophobicContact CE-CE 4.14Å; M303-M314 HydrophobicContact CE-SD 4.17Å; M303-M314 PolarHBondContact O-N 2.86Å; N305-M314 HydrophobicContact CB-CG 3.9Å; N305-M314 HydrophobicContact CB-SD 3.62Å; K312-M314 PolarHBondContact O-N 2.77Å
315K93.3Very high89.6Confident66 Ų6673.1 Ų73.129%0.28740%0.402SS..EExtended strand (participates in β ladder)trans-150.2147.3177.7-166.7158.3-174.6-174.70110.4R302 M303 P313 F355R302-K315 WeakPolarHBondContact CA-O 3.39Å; M303-K315 HydrophobicContact CB-CB 4.35Å; M303-K315 HydrophobicContact CE-CB 3.89Å; M303-K315 PolarHBondContact N-O 3.12Å; M303-K315 PolarHBondContact O-N 2.83Å; P313-K315 PolarHBondContact O-N 2.82Å; K315-F355 HydrophobicContact CB-CD1 3.88Å; K315-F355 HydrophobicContact CB-CE1 4.16Å; K315-F355 HydrophobicContact CD-CB 4.36Å; K315-F355 HydrophobicContact CD-CD1 3.76Å; K315-F355 HydrophobicContact CD-CG 4.48Å; K315-F355 VanDerWaalsContact CD-O 3.29Å; K315-F355 WeakPolarHBondContact CD-O 3.31Å; K315-F355 WeakPolarHBondContact CE-O 3.38Å; K315-F355 HydrophobicContact CG-CD1 3.86Å; K315-F355 HydrophobicContact CG-CE1 4.2Å; K315-F355 VanDerWaalsContact NZ-C 3.27Å; K315-F355 PolarHBondContact NZ-O 3.46Å
316T93.7Very high89.7Confident56 Ų5671.5 Ų71.534%0.34439%0.392SS..EExtended strand (participates in β ladder)trans-132.7128.5175.6-58.20000108N300 L301 R302 P313N300-T316 HydrophobicContact CB-CG2 4Å; L301-T316 WeakPolarHBondContact O-CA 3.44Å; R302-T316 HydrophobicContact CG-CG2 4.01Å; P313-T316 WeakPolarHBondContact CG-OG1 3.32Å
317L94.5Very high89.8Confident21 Ų2173 Ų7311%0.1140%0.4CS..EExtended strand (participates in β ladder)trans-107.4121.6171-60.2-176.4000107.8L301 Y326 Y350 F355L301-L317 HydrophobicContact CB-CB 4.41Å; L301-L317 HydrophobicContact CD2-CD1 4.39Å; L301-L317 PolarHBondContact N-O 2.79Å; L301-L317 PolarHBondContact O-N 2.76Å; L317-Y326 HydrophobicContact CB-CE2 4.42Å; L317-Y350 HydrophobicContact CD1-CD1 4.13Å; L317-Y350 HydrophobicContact CD1-CE1 3.59Å; L317-F355 HydrophobicContact CD1-CD1 4.45Å; L317-F355 HydrophobicContact CD1-CD2 4.11Å; L317-F355 HydrophobicContact CD1-CE1 4.05Å; L317-F355 HydrophobicContact CD1-CE2 3.69Å; L317-F355 HydrophobicContact CD1-CG 4.44Å; L317-F355 HydrophobicContact CD1-CZ 3.64Å; L317-F355 HydrophobicContact CG-CD1 4.49Å; L317-F355 HydrophobicContact CG-CE1 3.94Å; L317-F355 HydrophobicContact CG-CE2 4.45Å; L317-F355 HydrophobicContact CG-CZ 3.9Å
318S92.4Very high89.9Confident82 Ų8270.5 Ų70.557%0.57338%0.383SS*.  trans-86.5142173.6-63.40000110.6N300N300-S318 WeakPolarHBondContact OD1-CA 3.23Å; N300-S318 WeakPolarHBondContact OD1-CB 3.22Å; N300-S318 PolarHBondContact OD1-OG 2.89Å; N300-S318 VanDerWaalsContact OD1-OG 3.05Å
319P89.9Confident90.4Very high31 Ų3166.2 Ų66.220%0.20136%0.355CS..  trans-63.3149.9176.531.2-36.7000109.8N300 D321 H324 Y326N300-P319 VanDerWaalsContact OD1-CD 3.29Å; N300-P319 WeakPolarHBondContact OD1-CD 2.73Å; P319-D321 VanDerWaalsContact C-N 3.29Å; P319-D321 WeakPolarHBondContact CB-O 3.16Å; P319-D321 PolarHBondContact O-N 3.37Å; P319-H324 VanDerWaalsContact CB-O 3.28Å; P319-H324 WeakPolarHBondContact CB-O 3.44Å; P319-Y326 HydrophobicContact CB-CD2 4.46Å; P319-Y326 HydrophobicContact CB-CE2 4.35Å
320V89.3Confident91.1Very high119 Ų11961.5 Ų61.572%0.72132%0.321SS*.SBendtrans-65.4-37.6-179.3178.70000110.9W348V320-W348 HydrophobicContact CG2-CH2 4.06Å
321D87.9Confident91.5Very high69 Ų6959.8 Ų59.837%0.36931%0.31SS..SBendtrans-152.1-179.81756133.6000109.6P319 Q323 H324P319-D321 VanDerWaalsContact C-N 3.29Å; P319-D321 WeakPolarHBondContact CB-O 3.16Å; P319-D321 PolarHBondContact O-N 3.37Å; D321-Q323 PolarHBondContact O-N 3.16Å; D321-Q323 WeakPolarHBondContact OD1-CA 3.49Å; D321-Q323 WeakPolarHBondContact OD1-CB 3.11Å; D321-Q323 PolarHBondContact OD1-N 3.4Å; D321-H324 PolarHBondContact O-N 2.83Å; D321-H324 IonicContact OD1-CE1 3.79Å; D321-H324 IonicContact OD1-CG 3.48Å; D321-H324 PolarHBondContact OD1-N 3.06Å; D321-H324 IonicContact OD1-ND1 2.71Å; D321-H324 PolarHBondContact OD1-ND1 3.36Å; D321-H324 IonicContact OD2-CE1 3.55Å; D321-H324 IonicContact OD2-ND1 3.07Å; D321-H324 PolarHBondContact OD2-ND1 3.09Å; D321-H324 VanDerWaalsContact OD2-ND1 3.07Å
322E82.9Confident91.6Very high186 Ų18654.1 Ų54.187%0.86928%0.281SS*.G310 helixtrans-63.2-27.4179.5-63.7-176.617300113.6H324E322-H324 VanDerWaalsContact C-N 3.34Å
323Q87.4Confident91Very high134 Ų13448.2 Ų48.263%0.62626%0.258SS*.G310 helixtrans-76.5-25.1179.4-59.5-175-8.700111.8D321 G325 A343 N344D321-Q323 PolarHBondContact O-N 3.16Å; D321-Q323 WeakPolarHBondContact OD1-CA 3.49Å; D321-Q323 WeakPolarHBondContact OD1-CB 3.11Å; D321-Q323 PolarHBondContact OD1-N 3.4Å; Q323-G325 VanDerWaalsContact C-N 3.32Å; Q323-A343 CarbonylContact O-C 3.56Å; Q323-A343 WeakPolarHBondContact O-CB 3.39Å; Q323-N344 HydrophobicContact CB-CB 4.29Å; Q323-N344 VanDerWaalsContact O-CB 3.25Å; Q323-N344 WeakPolarHBondContact O-CB 3.34Å; Q323-N344 PolarHBondContact O-N 2.76Å
324H91.3Very high90.1Very high41 Ų4152.5 Ų52.519%0.1928%0.28CS..G310 helixtrans-93.917.7177.1-64.986.9000113.1P319 D321 E322 Y326 L342 N344 W348P319-H324 VanDerWaalsContact CB-O 3.28Å; P319-H324 WeakPolarHBondContact CB-O 3.44Å; D321-H324 PolarHBondContact O-N 2.83Å; D321-H324 IonicContact OD1-CE1 3.79Å; D321-H324 IonicContact OD1-CG 3.48Å; D321-H324 PolarHBondContact OD1-N 3.06Å; D321-H324 IonicContact OD1-ND1 2.71Å; D321-H324 PolarHBondContact OD1-ND1 3.36Å; D321-H324 IonicContact OD2-CE1 3.55Å; D321-H324 IonicContact OD2-ND1 3.07Å; D321-H324 PolarHBondContact OD2-ND1 3.09Å; D321-H324 VanDerWaalsContact OD2-ND1 3.07Å; E322-H324 VanDerWaalsContact C-N 3.34Å; H324-Y326 PolarHBondContact O-N 2.97Å; H324-L342 HydrophobicContact CB-CD1 4.47Å; H324-N344 PolarHBondContact CD2-ND2 2.7Å; H324-N344 PolarHBondContact NE2-ND2 3.24Å; H324-W348 HydrophobicContact CB-CH2 4.1Å; H324-W348 AromaticContact CD2-CH2 3.78Å; H324-W348 AromaticContact CD2-CZ2 3.47Å; H324-W348 VanDerWaalsContact CD2-CZ2 3.47Å; H324-W348 WeakPolarHBondContact CD2-CZ2 3.2Å
325G91.8Very high89.6Confident1 Ų148.1 Ų48.11%0.0126%0.259CS..  trans-57.2135174.700000112.6Q323 L342 A343Q323-G325 VanDerWaalsContact C-N 3.32Å; G325-L342 CarbonylContact O-C 3.48Å; G325-L342 VanDerWaalsContact O-CA 3.26Å; G325-L342 WeakPolarHBondContact O-CA 3.33Å; G325-A343 PolarHBondContact O-N 2.82Å
326Y94.5Very high89.2Confident6 Ų647.3 Ų47.32%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-79.4123.1177.4-57.6-84.3000110.7G295 M299 L301 L317 P319 H324 T340 L342 W348 Y350G295-Y326 VanDerWaalsContact CA-O 3.28Å; G295-Y326 WeakPolarHBondContact CA-O 3.34Å; G295-Y326 PolarHBondContact N-O 3.02Å; M299-Y326 WeakPolarHBondContact O-CB 3.32Å; M299-Y326 WeakPolarHBondContact O-CD2 3.21Å; M299-Y326 PolarHBondContact O-N 3.47Å; L301-Y326 HydrophobicContact CB-CD1 3.89Å; L301-Y326 HydrophobicContact CB-CD2 3.55Å; L301-Y326 HydrophobicContact CB-CE1 4.05Å; L301-Y326 HydrophobicContact CB-CE2 3.76Å; L301-Y326 HydrophobicContact CB-CG 3.64Å; L301-Y326 HydrophobicContact CD2-CD1 4.12Å; L301-Y326 HydrophobicContact CD2-CE1 3.87Å; L301-Y326 HydrophobicContact CG-CD1 4.42Å; L317-Y326 HydrophobicContact CB-CE2 4.42Å; P319-Y326 HydrophobicContact CB-CD2 4.46Å; P319-Y326 HydrophobicContact CB-CE2 4.35Å; H324-Y326 PolarHBondContact O-N 2.97Å; Y326-T340 HydrophobicContact CD1-CG2 4.24Å; Y326-L342 HydrophobicContact CD1-CD2 3.45Å; Y326-L342 VanDerWaalsContact CD1-CD2 3.45Å; Y326-L342 HydrophobicContact CE1-CD2 3.87Å; Y326-L342 HydrophobicContact CG-CD2 4.11Å; Y326-W348 AromaticContact CE1-CE3 3.79Å; Y326-W348 HydrophobicContact CE1-CE3 3.79Å; Y326-W348 HydrophobicContact CE1-CZ3 4.17Å; Y326-W348 AromaticContact CZ-CZ3 3.98Å; Y326-W348 WeakPolarHBondContact OH-CZ3 3.41Å; Y326-Y350 HydrophobicContact CE1-CE2 4.1Å; Y326-Y350 PolarHBondContact OH-OH 2.79Å
327L92.6Very high89.1Confident38 Ų3844.8 Ų44.820%0.19924%0.242CC..EExtended strand (participates in β ladder)trans-113.3-42.6-175.7-66.5178.6000114M299 G341 A343 P369M299-L327 HydrophobicContact CE-CD2 3.79Å; M299-L327 HydrophobicContact SD-CD2 3.51Å; M299-L327 VanDerWaalsContact SD-CD2 3.51Å; L327-G341 PolarHBondContact N-O 3.37Å; L327-A343 HydrophobicContact CD1-CB 3.97Å; L327-A343 HydrophobicContact CG-CB 4.37Å; L327-P369 HydrophobicContact CD1-CB 3.57Å
328S93.7Very high89.1Confident0 Ų043.8 Ų43.80%024%0.237CC..EExtended strand (participates in β ladder)trans-133.4154.1-177.2550000110.9D282 T340 G341 I370D282-S328 WeakPolarHBondContact OD2-CA 3.35Å; S328-T340 CarbonylContact O-C 3.56Å; S328-T340 VanDerWaalsContact O-CA 3.27Å; S328-T340 WeakPolarHBondContact O-CA 3.29Å; S328-G341 PolarHBondContact N-O 3.06Å; S328-G341 PolarHBondContact O-N 3.47Å; S328-G341 WeakPolarHBondContact OG-CA 3.4Å; S328-I370 PolarHBondContact OG-O 3.31Å
329V95.9Very high89.2Confident0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-149.2137.1-174.763.80000111.2D282 A284 F292 A294 L301 L338 A339 T340D282-V329 HydrophobicContact CB-CG1 4.33Å; D282-V329 PolarHBondContact OD2-N 3.21Å; A284-V329 HydrophobicContact CB-CG1 4.12Å; A284-V329 HydrophobicContact CB-CG2 4.22Å; F292-V329 HydrophobicContact CB-CG2 4.04Å; A294-V329 HydrophobicContact CB-CB 4.24Å; A294-V329 HydrophobicContact CB-CG1 4.18Å; L301-V329 HydrophobicContact CD1-CG2 4.16Å; V329-L338 HydrophobicContact CG2-CD1 3.35Å; V329-L338 HydrophobicContact CG2-CG 4.1Å; V329-A339 WeakPolarHBondContact CA-O 3.33Å; V329-T340 HydrophobicContact CB-CG2 4.48Å; V329-T340 HydrophobicContact CG2-CG2 4.05Å
330D95.3Very high89.6Confident4 Ų438.4 Ų38.42%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-145.6154.4167.2-161.315.4000110.6R226 A339 L373 S374 F375R226-D330 IonicContact CZ-OD1 3.55Å; R226-D330 IonicContact NH2-OD1 2.93Å; R226-D330 PolarHBondContact NH2-OD1 3.45Å; R226-D330 IonicContact NH2-OD2 3.44Å; R226-D330 PolarHBondContact NH2-OD2 3.21Å; D330-A339 PolarHBondContact N-O 3.47Å; D330-A339 PolarHBondContact O-N 2.79Å; D330-L373 HydrophobicContact CB-CD2 3.44Å; D330-L373 VanDerWaalsContact CB-CD2 3.44Å; D330-S374 WeakPolarHBondContact OD2-CA 3.08Å; D330-F375 HydrophobicContact CB-CD2 4.06Å; D330-F375 PolarHBondContact OD2-N 3.35Å
331V93.2Very high89.8Confident1 Ų132.8 Ų32.81%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-111.6135.3177.3-178.40000109.6R226 A284 F285 F292 S333 L338 I352 F375R226-V331 PolarHBondContact NH1-O 2.87Å; A284-V331 HydrophobicContact CB-CG2 4.01Å; F285-V331 WeakPolarHBondContact O-CB 3.18Å; F292-V331 HydrophobicContact CD2-CG2 3.9Å; F292-V331 HydrophobicContact CE2-CG2 4.3Å; V331-S333 PolarHBondContact O-N 3.03Å; V331-L338 HydrophobicContact CG2-CD1 3.46Å; V331-L338 VanDerWaalsContact CG2-CD1 3.46Å; V331-I352 HydrophobicContact CG1-CD1 3.68Å; V331-I352 HydrophobicContact CG2-CD1 4.4Å; V331-F375 VanDerWaalsContact C-CD2 3.46Å
332A88.9Confident90.1Very high0 Ų029.5 Ų29.50%015%0.148CC..  trans-70.4123.217200000110M1 N334 T335 I337 F375M1-A332 HydrophobicContact CE-CB 3.7Å; M1-A332 HydrophobicContact SD-CB 3.32Å; M1-A332 WeakPolarHBondContact SD-CB 3.21Å; A332-N334 PolarHBondContact O-N 3.44Å; A332-T335 WeakPolarHBondContact CB-OG1 3.34Å; A332-T335 PolarHBondContact O-N 2.68Å; A332-T335 PolarHBondContact O-OG1 3.32Å; A332-I337 HydrophobicContact CB-CB 4.1Å; A332-I337 PolarHBondContact N-O 3.13Å; A332-F375 HydrophobicContact CB-CD1 4.11Å; A332-F375 HydrophobicContact CB-CD2 3.97Å; A332-F375 HydrophobicContact CB-CE1 4.05Å; A332-F375 HydrophobicContact CB-CE2 3.9Å; A332-F375 HydrophobicContact CB-CG 4.05Å; A332-F375 HydrophobicContact CB-CZ 3.93Å; A332-F375 VanDerWaalsContact N-CD2 3.33Å
333S78.2Confident90.5Very high28 Ų2822 Ų2220%0.19612%0.118CC..THydrogen-bonded Turntrans-61.5137.7-177.8-54.40000111.9R226 V331 T335R226-S333 VanDerWaalsContact CD-OG 3.25Å; R226-S333 WeakPolarHBondContact CD-OG 3.25Å; R226-S333 PolarHBondContact NH1-OG 3.38Å; V331-S333 PolarHBondContact O-N 3.03Å; S333-T335 PolarHBondContact O-N 3.29Å
334N73Confident90.8Very high115 Ų11516.6 Ų16.662%0.6159%0.094SC*.THydrogen-bonded Turntrans58.725178.8-55.9-37.1000114.3A332A332-N334 PolarHBondContact O-N 3.44Å
335T81.6Confident90.8Very high12 Ų1214.7 Ų14.77%0.0749%0.085CC..SBendtrans-135.1167.917275.70000109.8M1 Y18 A332 S333 I337M1-T335 HydrophobicContact CE-CG2 4.19Å; Y18-T335 HydrophobicContact CD1-CG2 3.82Å; Y18-T335 HydrophobicContact CE1-CG2 3.7Å; A332-T335 WeakPolarHBondContact CB-OG1 3.34Å; A332-T335 PolarHBondContact O-N 2.68Å; A332-T335 PolarHBondContact O-OG1 3.32Å; S333-T335 PolarHBondContact O-N 3.29Å; T335-I337 VanDerWaalsContact C-N 3.26Å; T335-I337 PolarHBondContact O-N 3.26Å; T335-I337 PolarHBondContact OG1-N 2.94Å
336N86.4Confident90.8Very high49 Ų4916.1 Ų16.126%0.2629%0.092SC..SBendtrans-94.631173.7-64-29.5000111.6N351 I352 L353N336-N351 CarbonylContact O-C 3.49Å; N336-N351 WeakPolarHBondContact O-CA 3.39Å; N336-I352 HydrophobicContact CB-CB 4.22Å; N336-I352 WeakPolarHBondContact O-CG1 3.36Å; N336-I352 PolarHBondContact O-N 2.93Å; N336-L353 HydrophobicContact CB-CG 4.3Å; N336-L353 VanDerWaalsContact ND2-CD1 3.27Å; N336-L353 WeakPolarHBondContact ND2-CD1 3.27Å
337I90.6Very high90.9Very high4 Ų415.9 Ų15.92%0.0219%0.091CC..EExtended strand (participates in β ladder)trans-106.4119.4-176.5-60.6166000110Y18 L35 A332 T335 F349 F375Y18-I337 HydrophobicContact CD2-CD1 3.43Å; Y18-I337 VanDerWaalsContact CD2-CD1 3.43Å; Y18-I337 HydrophobicContact CD2-CG1 4.46Å; Y18-I337 HydrophobicContact CE2-CD1 3.75Å; Y18-I337 HydrophobicContact CE2-CG1 4.33Å; Y18-I337 HydrophobicContact CG-CD1 3.85Å; L35-I337 HydrophobicContact CD1-CD1 3.68Å; A332-I337 HydrophobicContact CB-CB 4.1Å; A332-I337 PolarHBondContact N-O 3.13Å; T335-I337 VanDerWaalsContact C-N 3.26Å; T335-I337 PolarHBondContact O-N 3.26Å; T335-I337 PolarHBondContact OG1-N 2.94Å; I337-F349 HydrophobicContact CG2-CD1 3.83Å; I337-F375 HydrophobicContact CG2-CZ 4.21Å
338L94.4Very high91Very high0 Ų015.2 Ų15.20%09%0.086CC..EExtended strand (participates in β ladder)trans-102.2136.8168.8178.878.9000108.5F292 L301 V329 V331 T340 F349 Y350 I352 F355F292-L338 HydrophobicContact CB-CD1 4.04Å; F292-L338 HydrophobicContact CD1-CD1 4.01Å; F292-L338 HydrophobicContact CD1-CD2 3.7Å; F292-L338 HydrophobicContact CD2-CD1 3.86Å; F292-L338 HydrophobicContact CE1-CD1 4.47Å; F292-L338 HydrophobicContact CE1-CD2 3.84Å; F292-L338 HydrophobicContact CE2-CD1 4.36Å; F292-L338 HydrophobicContact CG-CD1 3.67Å; F292-L338 HydrophobicContact CG-CD2 4.24Å; L301-L338 HydrophobicContact CD2-CD2 3.96Å; V329-L338 HydrophobicContact CG2-CD1 3.35Å; V329-L338 HydrophobicContact CG2-CG 4.1Å; V331-L338 HydrophobicContact CG2-CD1 3.46Å; V331-L338 VanDerWaalsContact CG2-CD1 3.46Å; L338-T340 HydrophobicContact CD2-CG2 4.08Å; L338-T340 HydrophobicContact CG-CG2 4.17Å; L338-F349 CarbonylContact O-C 3.56Å; L338-F349 VanDerWaalsContact O-CA 3.27Å; L338-F349 WeakPolarHBondContact O-CA 3.36Å; L338-Y350 HydrophobicContact CD2-CD2 4.33Å; L338-Y350 PolarHBondContact N-O 3.2Å; L338-Y350 PolarHBondContact O-N 2.78Å; L338-I352 HydrophobicContact CB-CD1 4.37Å; L338-I352 HydrophobicContact CB-CG1 3.96Å; L338-F355 HydrophobicContact CD2-CD2 4.31Å; L338-F355 HydrophobicContact CD2-CE2 3.64Å; L338-F355 HydrophobicContact CD2-CZ 4.46Å
339A95.6Very high91.1Very high0 Ų015.2 Ų15.20%09%0.086CC..EExtended strand (participates in β ladder)trans-117.7138.7169.500000109.8L3 V329 D330 I347 W348 F349 L373 F375L3-A339 HydrophobicContact CD2-CB 4.36Å; V329-A339 WeakPolarHBondContact CA-O 3.33Å; D330-A339 PolarHBondContact N-O 3.47Å; D330-A339 PolarHBondContact O-N 2.79Å; A339-I347 HydrophobicContact CB-CG2 4.33Å; A339-W348 CarbonylContact C-O 3.56Å; A339-W348 WeakPolarHBondContact CA-O 3.45Å; A339-F349 HydrophobicContact CB-CD1 3.85Å; A339-F349 HydrophobicContact CB-CE1 3.68Å; A339-F349 HydrophobicContact CB-CZ 4.35Å; A339-L373 HydrophobicContact CB-CD1 4.1Å; A339-L373 HydrophobicContact CB-CD2 3.78Å; A339-F375 HydrophobicContact CB-CE2 3.49Å; A339-F375 VanDerWaalsContact CB-CE2 3.49Å; A339-F375 HydrophobicContact CB-CZ 3.58Å
340T96.3Very high91Very high0 Ų015.3 Ų15.30%09%0.087CC..EExtended strand (participates in β ladder)trans-130129.8-178.7610000110.5L301 Y326 S328 V329 L338 I347 W348 Y350L301-T340 HydrophobicContact CD1-CG2 3.69Å; L301-T340 HydrophobicContact CD2-CG2 3.68Å; L301-T340 HydrophobicContact CG-CG2 4.33Å; Y326-T340 HydrophobicContact CD1-CG2 4.24Å; S328-T340 CarbonylContact O-C 3.56Å; S328-T340 VanDerWaalsContact O-CA 3.27Å; S328-T340 WeakPolarHBondContact O-CA 3.29Å; V329-T340 HydrophobicContact CB-CG2 4.48Å; V329-T340 HydrophobicContact CG2-CG2 4.05Å; L338-T340 HydrophobicContact CD2-CG2 4.08Å; L338-T340 HydrophobicContact CG-CG2 4.17Å; T340-I347 WeakPolarHBondContact O-CA 3.29Å; T340-W348 PolarHBondContact N-O 3.3Å; T340-W348 PolarHBondContact O-N 2.59Å; T340-W348 PolarHBondContact OG1-O 3.43Å; T340-Y350 HydrophobicContact CG2-CD2 4.31Å; T340-Y350 HydrophobicContact CG2-CE2 4.3Å
341G94.6Very high90.8Very high0 Ų015.3 Ų15.30%09%0.087CC..EExtended strand (participates in β ladder)trans-89.8134.5173.500000111.3L327 S328 I370L327-G341 PolarHBondContact N-O 3.37Å; S328-G341 PolarHBondContact N-O 3.06Å; S328-G341 PolarHBondContact O-N 3.47Å; S328-G341 WeakPolarHBondContact OG-CA 3.4Å; G341-I370 VanDerWaalsContact CA-CB 3.49Å
342L94.3Very high90.7Very high0 Ų015.7 Ų15.70%09%0.088CC..EExtended strand (participates in β ladder)trans-107.9164.5-175.1-54.8-175000113.1H324 G325 Y326 N344 G345 N346 W348 I370H324-L342 HydrophobicContact CB-CD1 4.47Å; G325-L342 CarbonylContact O-C 3.48Å; G325-L342 VanDerWaalsContact O-CA 3.26Å; G325-L342 WeakPolarHBondContact O-CA 3.33Å; Y326-L342 HydrophobicContact CD1-CD2 3.45Å; Y326-L342 VanDerWaalsContact CD1-CD2 3.45Å; Y326-L342 HydrophobicContact CE1-CD2 3.87Å; Y326-L342 HydrophobicContact CG-CD2 4.11Å; L342-N344 VanDerWaalsContact C-N 3.31Å; L342-N344 VanDerWaalsContact CB-OD1 3.27Å; L342-N344 WeakPolarHBondContact CB-OD1 3.33Å; L342-N344 PolarHBondContact O-N 3.25Å; L342-G345 PolarHBondContact O-N 3.49Å; L342-G345 VanDerWaalsContact O-N 3.16Å; L342-N346 WeakPolarHBondContact CB-O 3.08Å; L342-N346 HydrophobicContact CD1-CB 4.27Å; L342-N346 PolarHBondContact N-O 3.19Å; L342-W348 HydrophobicContact CD1-CD2 3.57Å; L342-W348 HydrophobicContact CD1-CE3 3.85Å; L342-W348 HydrophobicContact CD1-CG 3.93Å; L342-W348 HydrophobicContact CD1-CH2 4.33Å; L342-W348 HydrophobicContact CD1-CZ2 4.04Å; L342-W348 HydrophobicContact CD1-CZ3 4.23Å; L342-W348 HydrophobicContact CD2-CE3 4.24Å; L342-W348 HydrophobicContact CG-CD2 4.5Å; L342-I370 PolarHBondContact O-N 3.16Å
343A91.9Very high90.7Very high28 Ų2820.6 Ų20.623%0.23111%0.114CC..THydrogen-bonded Turntrans-64.2-29.817600000114Q323 G325 L327 G345 P369Q323-A343 CarbonylContact O-C 3.56Å; Q323-A343 WeakPolarHBondContact O-CB 3.39Å; G325-A343 PolarHBondContact O-N 2.82Å; L327-A343 HydrophobicContact CD1-CB 3.97Å; L327-A343 HydrophobicContact CG-CB 4.37Å; A343-G345 PolarHBondContact O-N 3.27Å; A343-P369 WeakPolarHBondContact O-CA 3.44Å; A343-P369 VanDerWaalsContact O-CG 3.27Å; A343-P369 WeakPolarHBondContact O-CG 3.32Å
344N91.8Very high91.2Very high22 Ų2222.1 Ų22.112%0.11812%0.12CC..THydrogen-bonded Turntrans-80.62.4174.464.14.6000114.3Q323 H324 L342 N346Q323-N344 HydrophobicContact CB-CB 4.29Å; Q323-N344 VanDerWaalsContact O-CB 3.25Å; Q323-N344 WeakPolarHBondContact O-CB 3.34Å; Q323-N344 PolarHBondContact O-N 2.76Å; H324-N344 PolarHBondContact CD2-ND2 2.7Å; H324-N344 PolarHBondContact NE2-ND2 3.24Å; L342-N344 VanDerWaalsContact C-N 3.31Å; L342-N344 VanDerWaalsContact CB-OD1 3.27Å; L342-N344 WeakPolarHBondContact CB-OD1 3.33Å; L342-N344 PolarHBondContact O-N 3.25Å; N344-N346 VanDerWaalsContact C-N 3.31Å; N344-N346 PolarHBondContact ND2-ND2 3.31Å; N344-N346 PolarHBondContact O-N 3.17Å; N344-N346 VanDerWaalsContact OD1-CB 3.31Å; N344-N346 WeakPolarHBondContact OD1-CB 3.46Å; N344-N346 PolarHBondContact OD1-N 3.25Å
345G91.4Very high92.1Very high0 Ų016.9 Ų16.90%09%0.092CC..SBendtrans833.1-179.200000115.3Q7 L342 A343 V368 I370Q7-G345 PolarHBondContact NE2-O 2.99Å; L342-G345 PolarHBondContact O-N 3.49Å; L342-G345 VanDerWaalsContact O-N 3.16Å; A343-G345 PolarHBondContact O-N 3.27Å; G345-V368 WeakPolarHBondContact CA-O 3.44Å; G345-I370 WeakPolarHBondContact O-CD1 3.24Å
346N93.7Very high92.6Very high32 Ų3219.8 Ų19.817%0.17111%0.11CC..EExtended strand (participates in β ladder)trans-82.1157.4171.2-66.7-29.3000111.5L342 N344 I362 S363L342-N346 WeakPolarHBondContact CB-O 3.08Å; L342-N346 HydrophobicContact CD1-CB 4.27Å; L342-N346 PolarHBondContact N-O 3.19Å; N344-N346 VanDerWaalsContact C-N 3.31Å; N344-N346 PolarHBondContact ND2-ND2 3.31Å; N344-N346 PolarHBondContact O-N 3.17Å; N344-N346 VanDerWaalsContact OD1-CB 3.31Å; N344-N346 WeakPolarHBondContact OD1-CB 3.46Å; N344-N346 PolarHBondContact OD1-N 3.25Å; N346-I362 WeakPolarHBondContact CA-O 3.43Å; N346-S363 VanDerWaalsContact OD1-CB 3.22Å; N346-S363 WeakPolarHBondContact OD1-CB 3.23Å; N346-S363 PolarHBondContact OD1-OG 2.82Å
347I95.2Very high92.8Very high0 Ų020.6 Ų20.60%012%0.119CC..EExtended strand (participates in β ladder)trans-117.4123.9172.5-57.8167.1000108L3 A5 W14 A339 T340 F349 C361 I362 I370 L373L3-I347 HydrophobicContact CD2-CD1 4.27Å; L3-I347 HydrophobicContact CD2-CG2 4.19Å; A5-I347 HydrophobicContact CB-CD1 3.61Å; W14-I347 HydrophobicContact CE3-CD1 4.36Å; W14-I347 HydrophobicContact CH2-CD1 3.71Å; W14-I347 HydrophobicContact CZ2-CD1 4.27Å; W14-I347 HydrophobicContact CZ3-CD1 3.79Å; A339-I347 HydrophobicContact CB-CG2 4.33Å; T340-I347 WeakPolarHBondContact O-CA 3.29Å; I347-F349 HydrophobicContact CB-CE2 4.44Å; I347-F349 HydrophobicContact CG2-CD2 4.36Å; I347-F349 HydrophobicContact CG2-CE2 3.73Å; I347-F349 HydrophobicContact CG2-CZ 3.91Å; I347-C361 WeakPolarHBondContact O-CA 3.11Å; I347-I362 HydrophobicContact CB-CD1 4.18Å; I347-I362 HydrophobicContact CB-CG1 3.75Å; I347-I362 HydrophobicContact CD1-CD1 4.19Å; I347-I362 HydrophobicContact CD1-CG1 4.42Å; I347-I362 HydrophobicContact CG2-CG1 4.46Å; I347-I362 PolarHBondContact N-O 3.13Å; I347-I362 PolarHBondContact O-N 3.28Å; I347-I370 HydrophobicContact CD1-CD1 4.45Å; I347-I370 HydrophobicContact CG1-CD1 4.18Å; I347-I370 HydrophobicContact CG1-CG1 3.92Å; I347-L373 HydrophobicContact CG2-CD1 4.04Å
348W95.5Very high92.9Very high25 Ų2522.9 Ų22.910%0.09513%0.134CC..EExtended strand (participates in β ladder)trans-102.2137.1173.7-77.5-2.7000110.7V320 H324 Y326 A339 T340 L342 Y350 P358 C361V320-W348 HydrophobicContact CG2-CH2 4.06Å; H324-W348 HydrophobicContact CB-CH2 4.1Å; H324-W348 AromaticContact CD2-CH2 3.78Å; H324-W348 AromaticContact CD2-CZ2 3.47Å; H324-W348 VanDerWaalsContact CD2-CZ2 3.47Å; H324-W348 WeakPolarHBondContact CD2-CZ2 3.2Å; Y326-W348 AromaticContact CE1-CE3 3.79Å; Y326-W348 HydrophobicContact CE1-CE3 3.79Å; Y326-W348 HydrophobicContact CE1-CZ3 4.17Å; Y326-W348 AromaticContact CZ-CZ3 3.98Å; Y326-W348 WeakPolarHBondContact OH-CZ3 3.41Å; A339-W348 CarbonylContact C-O 3.56Å; A339-W348 WeakPolarHBondContact CA-O 3.45Å; T340-W348 PolarHBondContact N-O 3.3Å; T340-W348 PolarHBondContact O-N 2.59Å; T340-W348 PolarHBondContact OG1-O 3.43Å; L342-W348 HydrophobicContact CD1-CD2 3.57Å; L342-W348 HydrophobicContact CD1-CE3 3.85Å; L342-W348 HydrophobicContact CD1-CG 3.93Å; L342-W348 HydrophobicContact CD1-CH2 4.33Å; L342-W348 HydrophobicContact CD1-CZ2 4.04Å; L342-W348 HydrophobicContact CD1-CZ3 4.23Å; L342-W348 HydrophobicContact CD2-CE3 4.24Å; L342-W348 HydrophobicContact CG-CD2 4.5Å; W348-Y350 HydrophobicContact CB-CD2 4.48Å; W348-Y350 HydrophobicContact CB-CE2 3.73Å; W348-Y350 HydrophobicContact CE3-CE2 4.39Å; W348-P358 HydrophobicContact CB-CB 4.07Å; W348-P358 HydrophobicContact CD2-CB 4.19Å; W348-P358 HydrophobicContact CD2-CG 4.1Å; W348-P358 HydrophobicContact CE3-CG 4.39Å; W348-P358 HydrophobicContact CG-CB 4Å; W348-P358 HydrophobicContact CG-CG 4.38Å; W348-C361 PolarHBondContact NE1-SG 2.86Å
349F94.8Very high92.8Very high0 Ų026 Ų260%015%0.15CC..EExtended strand (participates in β ladder)trans-107.6138.7173-65-95.1000109.5L3 L35 I37 I337 L338 A339 I347 P358 I359 R360 I362 F375L3-F349 HydrophobicContact CD2-CE1 3.96Å; L3-F349 HydrophobicContact CD2-CZ 3.56Å; L35-F349 HydrophobicContact CD2-CB 4.12Å; L35-F349 HydrophobicContact CD2-CG 4.34Å; I37-F349 HydrophobicContact CD1-CD1 3.84Å; I37-F349 HydrophobicContact CD1-CD2 3.8Å; I37-F349 HydrophobicContact CD1-CE1 3.57Å; I37-F349 HydrophobicContact CD1-CE2 3.54Å; I37-F349 HydrophobicContact CD1-CG 3.95Å; I37-F349 HydrophobicContact CD1-CZ 3.42Å; I37-F349 VanDerWaalsContact CD1-CZ 3.42Å; I337-F349 HydrophobicContact CG2-CD1 3.83Å; L338-F349 CarbonylContact O-C 3.56Å; L338-F349 VanDerWaalsContact O-CA 3.27Å; L338-F349 WeakPolarHBondContact O-CA 3.36Å; A339-F349 HydrophobicContact CB-CD1 3.85Å; A339-F349 HydrophobicContact CB-CE1 3.68Å; A339-F349 HydrophobicContact CB-CZ 4.35Å; I347-F349 HydrophobicContact CB-CE2 4.44Å; I347-F349 HydrophobicContact CG2-CD2 4.36Å; I347-F349 HydrophobicContact CG2-CE2 3.73Å; I347-F349 HydrophobicContact CG2-CZ 3.91Å; F349-P358 CarbonylContact O-C 3.54Å; F349-P358 VanDerWaalsContact O-CA 3.23Å; F349-P358 WeakPolarHBondContact O-CA 3.38Å; F349-I359 HydrophobicContact CB-CG1 4.09Å; F349-I359 VanDerWaalsContact O-CG1 3.31Å; F349-I359 WeakPolarHBondContact O-CG1 3.45Å; F349-I359 PolarHBondContact O-N 3Å; F349-R360 HydrophobicContact CB-CB 4.23Å; F349-R360 HydrophobicContact CD2-CB 4.23Å; F349-R360 HydrophobicContact CD2-CG 4.5Å; F349-R360 PolarHBondContact N-O 3.1Å; F349-I362 HydrophobicContact CE2-CD1 3.56Å; F349-I362 HydrophobicContact CE2-CG1 3.87Å; F349-I362 HydrophobicContact CE2-CG2 4.49Å; F349-I362 HydrophobicContact CZ-CD1 3.93Å; F349-F375 HydrophobicContact CD1-CZ 4.43Å; F349-F375 HydrophobicContact CE1-CE1 4.4Å; F349-F375 AromaticContact CE1-CZ 3.96Å; F349-F375 HydrophobicContact CE1-CZ 3.96Å
350Y94.2Very high92.6Very high2 Ų229.5 Ų29.51%0.00816%0.163CC..EExtended strand (participates in β ladder)trans-123.9147.3177.2-67.6-93.8000110.4L301 L317 Y326 L338 T340 W348 F355 S357 P358L301-Y350 HydrophobicContact CD2-CD2 4.38Å; L301-Y350 HydrophobicContact CD2-CE2 4.13Å; L317-Y350 HydrophobicContact CD1-CD1 4.13Å; L317-Y350 HydrophobicContact CD1-CE1 3.59Å; Y326-Y350 HydrophobicContact CE1-CE2 4.1Å; Y326-Y350 PolarHBondContact OH-OH 2.79Å; L338-Y350 HydrophobicContact CD2-CD2 4.33Å; L338-Y350 PolarHBondContact N-O 3.2Å; L338-Y350 PolarHBondContact O-N 2.78Å; T340-Y350 HydrophobicContact CG2-CD2 4.31Å; T340-Y350 HydrophobicContact CG2-CE2 4.3Å; W348-Y350 HydrophobicContact CB-CD2 4.48Å; W348-Y350 HydrophobicContact CB-CE2 3.73Å; W348-Y350 HydrophobicContact CE3-CE2 4.39Å; Y350-F355 HydrophobicContact CD1-CD2 4.2Å; Y350-F355 HydrophobicContact CD1-CE2 4.3Å; Y350-F355 HydrophobicContact CG-CD2 4.3Å; Y350-F355 HydrophobicContact CG-CE2 4.25Å; Y350-S357 WeakPolarHBondContact CD1-O 3.35Å; Y350-S357 VanDerWaalsContact CE1-C 3.43Å; Y350-P358 HydrophobicContact CE1-CB 4.04Å; Y350-P358 VanDerWaalsContact CE1-N 3.27Å; Y350-P358 HydrophobicContact CE2-CB 4.36Å
351N91.3Very high92.4Very high4 Ų432 Ų322%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-79.3126.1158.4-179.17.5000108.4I32 N336 L353 D354 F355 I359I32-N351 HydrophobicContact CD1-CB 3.86Å; I32-N351 VanDerWaalsContact CD1-CG 3.41Å; I32-N351 WeakPolarHBondContact CD1-ND2 3.31Å; N336-N351 CarbonylContact O-C 3.49Å; N336-N351 WeakPolarHBondContact O-CA 3.39Å; N351-L353 VanDerWaalsContact C-N 3.28Å; N351-L353 PolarHBondContact O-N 2.98Å; N351-L353 PolarHBondContact OD1-N 2.79Å; N351-D354 HydrophobicContact CB-CB 4.3Å; N351-D354 CarbonylContact O-C 3.56Å; N351-D354 PolarHBondContact O-N 3.05Å; N351-F355 WeakPolarHBondContact O-CA 3.48Å; N351-F355 PolarHBondContact O-N 2.67Å; N351-I359 HydrophobicContact CB-CG2 4.13Å
352I91.5Very high92.3Very high9 Ų932.2 Ų32.25%0.04618%0.181CC..SBendtrans-66.2-33.6178.4-67.6170.4000111.2S286 L290 F292 V331 N336 L338S286-I352 WeakPolarHBondContact OG-CD1 3.42Å; L290-I352 HydrophobicContact CD1-CG2 4.02Å; F292-I352 HydrophobicContact CE2-CD1 4.21Å; F292-I352 HydrophobicContact CE2-CG1 4.24Å; F292-I352 HydrophobicContact CE2-CG2 4.33Å; F292-I352 HydrophobicContact CZ-CB 4.44Å; F292-I352 HydrophobicContact CZ-CD1 4.46Å; F292-I352 HydrophobicContact CZ-CG1 3.98Å; F292-I352 HydrophobicContact CZ-CG2 3.92Å; V331-I352 HydrophobicContact CG1-CD1 3.68Å; V331-I352 HydrophobicContact CG2-CD1 4.4Å; N336-I352 HydrophobicContact CB-CB 4.22Å; N336-I352 WeakPolarHBondContact O-CG1 3.36Å; N336-I352 PolarHBondContact O-N 2.93Å; L338-I352 HydrophobicContact CB-CD1 4.37Å; L338-I352 HydrophobicContact CB-CG1 3.96Å
353L89.1Confident91.9Very high103 Ų10334.4 Ų34.454%0.53920%0.197SC..THydrogen-bonded Turntrans-73.1-33.3177.4-60.5-179.3000112.4N336 N351N336-L353 HydrophobicContact CB-CG 4.3Å; N336-L353 VanDerWaalsContact ND2-CD1 3.27Å; N336-L353 WeakPolarHBondContact ND2-CD1 3.27Å; N351-L353 VanDerWaalsContact C-N 3.28Å; N351-L353 PolarHBondContact O-N 2.98Å; N351-L353 PolarHBondContact OD1-N 2.79Å
354D88.7Confident91.2Very high59 Ų5933.9 Ų33.932%0.31619%0.191SC..THydrogen-bonded Turntrans-116.971.4174.6-175.112.1000110.2N351 T356N351-D354 HydrophobicContact CB-CB 4.3Å; N351-D354 CarbonylContact O-C 3.56Å; N351-D354 PolarHBondContact O-N 3.05Å; D354-T356 PolarHBondContact O-N 3.34Å; D354-T356 VanDerWaalsContact OD1-CG2 3.28Å; D354-T356 WeakPolarHBondContact OD1-CG2 3.49Å; D354-T356 PolarHBondContact OD1-OG1 3.11Å
355F92.2Very high90.5Very high5 Ų536.2 Ų36.22%0.02222%0.221CC..THydrogen-bonded Turntrans-8247.9-174.4-172.8-124.4000111.8F292 L301 M303 K315 L317 L338 Y350 N351F292-F355 HydrophobicContact CD1-CE2 4.43Å; F292-F355 HydrophobicContact CD1-CZ 4.28Å; F292-F355 HydrophobicContact CE1-CD2 4.23Å; F292-F355 HydrophobicContact CE1-CE1 4.32Å; F292-F355 HydrophobicContact CE1-CE2 4Å; F292-F355 HydrophobicContact CE1-CZ 4.06Å; L301-F355 HydrophobicContact CD2-CE2 3.51Å; L301-F355 HydrophobicContact CD2-CZ 3.46Å; L301-F355 VanDerWaalsContact CD2-CZ 3.46Å; L301-F355 HydrophobicContact CG-CE2 4.24Å; L301-F355 HydrophobicContact CG-CZ 3.73Å; M303-F355 HydrophobicContact CB-CD1 3.98Å; M303-F355 HydrophobicContact CB-CE1 3.76Å; M303-F355 HydrophobicContact CE-CD1 4.44Å; M303-F355 HydrophobicContact SD-CD1 4.06Å; M303-F355 HydrophobicContact SD-CG 4.46Å; K315-F355 HydrophobicContact CB-CD1 3.88Å; K315-F355 HydrophobicContact CB-CE1 4.16Å; K315-F355 HydrophobicContact CD-CB 4.36Å; K315-F355 HydrophobicContact CD-CD1 3.76Å; K315-F355 HydrophobicContact CD-CG 4.48Å; K315-F355 VanDerWaalsContact CD-O 3.29Å; K315-F355 WeakPolarHBondContact CD-O 3.31Å; K315-F355 WeakPolarHBondContact CE-O 3.38Å; K315-F355 HydrophobicContact CG-CD1 3.86Å; K315-F355 HydrophobicContact CG-CE1 4.2Å; K315-F355 VanDerWaalsContact NZ-C 3.27Å; K315-F355 PolarHBondContact NZ-O 3.46Å; L317-F355 HydrophobicContact CD1-CD1 4.45Å; L317-F355 HydrophobicContact CD1-CD2 4.11Å; L317-F355 HydrophobicContact CD1-CE1 4.05Å; L317-F355 HydrophobicContact CD1-CE2 3.69Å; L317-F355 HydrophobicContact CD1-CG 4.44Å; L317-F355 HydrophobicContact CD1-CZ 3.64Å; L317-F355 HydrophobicContact CG-CD1 4.49Å; L317-F355 HydrophobicContact CG-CE1 3.94Å; L317-F355 HydrophobicContact CG-CE2 4.45Å; L317-F355 HydrophobicContact CG-CZ 3.9Å; L338-F355 HydrophobicContact CD2-CD2 4.31Å; L338-F355 HydrophobicContact CD2-CE2 3.64Å; L338-F355 HydrophobicContact CD2-CZ 4.46Å; Y350-F355 HydrophobicContact CD1-CD2 4.2Å; Y350-F355 HydrophobicContact CD1-CE2 4.3Å; Y350-F355 HydrophobicContact CG-CD2 4.3Å; Y350-F355 HydrophobicContact CG-CE2 4.25Å; N351-F355 WeakPolarHBondContact O-CA 3.48Å; N351-F355 PolarHBondContact O-N 2.67Å
356T91.2Very high89.9Confident74 Ų7438 Ų3845%0.45423%0.233SC..THydrogen-bonded Turntrans-104.8-50.5-17651.40000112.6D354D354-T356 PolarHBondContact O-N 3.34Å; D354-T356 VanDerWaalsContact OD1-CG2 3.28Å; D354-T356 WeakPolarHBondContact OD1-CG2 3.49Å; D354-T356 PolarHBondContact OD1-OG1 3.11Å
357S90.5Very high89.5Confident66 Ų6643.7 Ų43.746%0.46226%0.263SS..SBendtrans-139154.4-17755.20000110.7Y350 I359Y350-S357 WeakPolarHBondContact CD1-O 3.35Å; Y350-S357 VanDerWaalsContact CE1-C 3.43Å; S357-I359 PolarHBondContact O-N 3.13Å
358P92.3Very high89.2Confident51 Ų5146.2 Ų46.233%0.33128%0.279SS..  trans-64.2134176.327-33.7000110.4W348 F349 Y350W348-P358 HydrophobicContact CB-CB 4.07Å; W348-P358 HydrophobicContact CD2-CB 4.19Å; W348-P358 HydrophobicContact CD2-CG 4.1Å; W348-P358 HydrophobicContact CE3-CG 4.39Å; W348-P358 HydrophobicContact CG-CB 4Å; W348-P358 HydrophobicContact CG-CG 4.38Å; F349-P358 CarbonylContact O-C 3.54Å; F349-P358 VanDerWaalsContact O-CA 3.23Å; F349-P358 WeakPolarHBondContact O-CA 3.38Å; Y350-P358 HydrophobicContact CE1-CB 4.04Å; Y350-P358 VanDerWaalsContact CE1-N 3.27Å; Y350-P358 HydrophobicContact CE2-CB 4.36Å
359I91.9Very high88.9Confident65 Ų6547.4 Ų47.433%0.33329%0.29SS..SBendtrans-81.8-23.8174.758169.6000111.9I32 L35 F349 N351 S357I32-I359 HydrophobicContact CG2-CD1 4.28Å; L35-I359 HydrophobicContact CD2-CD1 3.61Å; L35-I359 HydrophobicContact CD2-CG1 4.2Å; F349-I359 HydrophobicContact CB-CG1 4.09Å; F349-I359 VanDerWaalsContact O-CG1 3.31Å; F349-I359 WeakPolarHBondContact O-CG1 3.45Å; F349-I359 PolarHBondContact O-N 3Å; N351-I359 HydrophobicContact CB-CG2 4.13Å; S357-I359 PolarHBondContact O-N 3.13Å
360R91.7Very high88.8Confident75 Ų7547.4 Ų47.428%0.28329%0.29SS..EExtended strand (participates in β ladder)trans-152.9144.2176.5-172.961.1179.6-97.80.8110.5L35 I37 D39 F349 I362L35-R360 HydrophobicContact CD2-CB 4.41Å; I37-R360 PolarHBondContact O-NH1 3.03Å; I37-R360 PolarHBondContact O-NH2 3.17Å; D39-R360 IonicContact OD1-CZ 2.7Å; D39-R360 IonicContact OD1-NE 3.88Å; D39-R360 IonicContact OD1-NH2 2.69Å; D39-R360 PolarHBondContact OD1-NH2 3.25Å; F349-R360 HydrophobicContact CB-CB 4.23Å; F349-R360 HydrophobicContact CD2-CB 4.23Å; F349-R360 HydrophobicContact CD2-CG 4.5Å; F349-R360 PolarHBondContact N-O 3.1Å; R360-I362 HydrophobicContact CG-CG2 4.27Å
361C91.7Very high88.6Confident53 Ų5350.7 Ų50.736%0.35831%0.312SS..EExtended strand (participates in β ladder)trans-120.5138.5168.3178.80000108.4I347 W348I347-C361 WeakPolarHBondContact O-CA 3.11Å; W348-C361 PolarHBondContact NE1-SG 2.86Å
362I92.8Very high88.5Confident4 Ų452.6 Ų52.62%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-130.9154.3169.664.3-179.4000109.1W14 I37 N346 I347 F349 R360W14-I362 HydrophobicContact CD2-CD1 3.91Å; W14-I362 HydrophobicContact CG-CD1 3.93Å; W14-I362 HydrophobicContact CZ2-CD1 4.22Å; I37-I362 HydrophobicContact CB-CG2 4.47Å; I37-I362 HydrophobicContact CG2-CD1 4.04Å; I37-I362 HydrophobicContact CG2-CG2 4.02Å; N346-I362 WeakPolarHBondContact CA-O 3.43Å; I347-I362 HydrophobicContact CB-CD1 4.18Å; I347-I362 HydrophobicContact CB-CG1 3.75Å; I347-I362 HydrophobicContact CD1-CD1 4.19Å; I347-I362 HydrophobicContact CD1-CG1 4.42Å; I347-I362 HydrophobicContact CG2-CG1 4.46Å; I347-I362 PolarHBondContact N-O 3.13Å; I347-I362 PolarHBondContact O-N 3.28Å; F349-I362 HydrophobicContact CE2-CD1 3.56Å; F349-I362 HydrophobicContact CE2-CG1 3.87Å; F349-I362 HydrophobicContact CE2-CG2 4.49Å; F349-I362 HydrophobicContact CZ-CD1 3.93Å; R360-I362 HydrophobicContact CG-CG2 4.27Å
363S87.6Confident88.6Confident46 Ų4652.4 Ų52.432%0.32232%0.321SS..EExtended strand (participates in β ladder)trans-117.3140.9172.2-174.30000108.9D39 N346 G365D39-S363 VanDerWaalsContact O-O 3.07Å; N346-S363 VanDerWaalsContact OD1-CB 3.22Å; N346-S363 WeakPolarHBondContact OD1-CB 3.23Å; N346-S363 PolarHBondContact OD1-OG 2.82Å; S363-G365 PolarHBondContact O-N 2.87Å; S363-G365 PolarHBondContact OG-N 3.03Å
364S77.1Confident88.7Confident16 Ų1648 Ų4811%0.11230%0.299CS..  trans-77.1-7.5171.164.60000113.5Q7 S366Q7-S364 PolarHBondContact NE2-OG 3.45Å; Q7-S364 PolarHBondContact OE1-OG 3.35Å; S364-S366 PolarHBondContact OG-N 3.27Å
365G76.2Confident88.8Confident72 Ų7245.1 Ų45.174%0.74228%0.284SS*.SBendtrans87.69.8-17500000114.7S363S363-G365 PolarHBondContact O-N 2.87Å; S363-G365 PolarHBondContact OG-N 3.03Å
366S77.9Confident88.5Confident38 Ų3845.3 Ų45.327%0.26629%0.286SS..SBendtrans-131.7140.917078.60000111.8Q7 S364 V368Q7-S366 PolarHBondContact NE2-O 3.47Å; Q7-S366 PolarHBondContact NE2-OG 3.36Å; Q7-S366 PolarHBondContact OE1-OG 3.06Å; S364-S366 PolarHBondContact OG-N 3.27Å; S366-V368 PolarHBondContact O-N 3.01Å
367D85.5Confident87.6Confident150 Ų15043.1 Ų43.180%0.80227%0.27SS*.  trans-80.136.4177.4-58.7-26.4000111.8
368V88.9Confident86.4Confident54 Ų5443.7 Ų43.733%0.32727%0.27SS..SBendtrans-103.9130.8-179.1178.30000108.7Q7 N8 G345 S366 I370Q7-V368 HydrophobicContact CB-CB 4.17Å; Q7-V368 HydrophobicContact CB-CG1 4.03Å; Q7-V368 HydrophobicContact CG-CB 4.45Å; Q7-V368 PolarHBondContact NE2-O 2.84Å; N8-V368 HydrophobicContact CB-CG1 4Å; G345-V368 WeakPolarHBondContact CA-O 3.44Å; S366-V368 PolarHBondContact O-N 3.01Å; V368-I370 PolarHBondContact O-N 2.82Å
369P90.8Very high84.8Confident50 Ų5045.8 Ų45.833%0.32527%0.272SS..  trans-48.7138.6178.7-26.729.2000114.2L327 A343 C371L327-P369 HydrophobicContact CD1-CB 3.57Å; A343-P369 WeakPolarHBondContact O-CA 3.44Å; A343-P369 VanDerWaalsContact O-CG 3.27Å; A343-P369 WeakPolarHBondContact O-CG 3.32Å; P369-C371 PolarHBondContact O-N 3.24Å
370I92Very high82.8Confident0 Ų049.5 Ų49.50%029%0.289CS..  trans-81.396.7171.6-54-60.2000109.2A5 Q7 S328 G341 L342 G345 I347 V368 L373A5-I370 HydrophobicContact CB-CD1 4.37Å; A5-I370 HydrophobicContact CB-CG2 4.03Å; Q7-I370 HydrophobicContact CG-CD1 3.39Å; S328-I370 PolarHBondContact OG-O 3.31Å; G341-I370 VanDerWaalsContact CA-CB 3.49Å; L342-I370 PolarHBondContact O-N 3.16Å; G345-I370 WeakPolarHBondContact O-CD1 3.24Å; I347-I370 HydrophobicContact CD1-CD1 4.45Å; I347-I370 HydrophobicContact CG1-CD1 4.18Å; I347-I370 HydrophobicContact CG1-CG1 3.92Å; V368-I370 PolarHBondContact O-N 2.82Å; I370-L373 HydrophobicContact CG2-CD1 4.45Å
371C88.9Confident80.5Confident71 Ų7149.1 Ų49.148%0.4829%0.292SS..  trans-81.6-30.4-175.1-59.40000113.7V6 P369V6-C371 PolarHBondContact O-N 2.88Å; V6-C371 VanDerWaalsContact O-N 3.16Å; P369-C371 PolarHBondContact O-N 3.24Å
372L90.8Very high78Confident44 Ų4452.2 Ų52.223%0.2331%0.314CS..EExtended strand (participates in β ladder)trans-136.6140.4179.3-56.7167.8000109.8A5 V6 I58A5-L372 WeakPolarHBondContact CA-O 3.2Å; V6-L372 HydrophobicContact CB-CB 3.92Å; V6-L372 HydrophobicContact CB-CD1 4.45Å; V6-L372 HydrophobicContact CB-CG 4.49Å; V6-L372 HydrophobicContact CG1-CD1 4.48Å; V6-L372 HydrophobicContact CG2-CB 4.03Å; V6-L372 HydrophobicContact CG2-CD1 4.27Å; V6-L372 PolarHBondContact N-O 3.02Å; I58-L372 HydrophobicContact CD1-CB 3.76Å; I58-L372 HydrophobicContact CG1-CB 4.04Å; I58-L372 HydrophobicContact CG1-CD1 4.35Å; I58-L372 HydrophobicContact CG2-CD1 4.19Å
373L92.2Very high75.1Confident5 Ų558.3 Ų58.33%0.02635%0.347CS..EExtended strand (participates in β ladder)trans-137.2133.6-178.7-163.3149.8000108.8L3 D330 A339 I347 I370L3-L373 HydrophobicContact CD1-CD2 3.43Å; L3-L373 VanDerWaalsContact CD1-CD2 3.43Å; L3-L373 HydrophobicContact CD1-CG 3.85Å; D330-L373 HydrophobicContact CB-CD2 3.44Å; D330-L373 VanDerWaalsContact CB-CD2 3.44Å; A339-L373 HydrophobicContact CB-CD1 4.1Å; A339-L373 HydrophobicContact CB-CD2 3.78Å; I347-L373 HydrophobicContact CG2-CD1 4.04Å; I370-L373 HydrophobicContact CG2-CD1 4.45Å
374S92.5Very high72.6Confident9 Ų962.2 Ų62.26%0.06336%0.36CS..EExtended strand (participates in β ladder)trans-151.9119.8178.9-1710000113.2A4 W60 D330A4-S374 PolarHBondContact N-O 2.93Å; A4-S374 PolarHBondContact O-N 2.89Å; W60-S374 VanDerWaalsContact CD1-OG 3.22Å; W60-S374 PolarHBondContact NE1-O 2.78Å; D330-S374 WeakPolarHBondContact OD2-CA 3.08Å
375F90.8Very high70.3Confident0 Ų066.6 Ų66.60%039%0.386CS..EExtended strand (participates in β ladder)trans-73.1136.5167.9-79.1-72.7000111.1M1 Y2 L3 V16 W60 D330 V331 A332 I337 A339 F349M1-F375 HydrophobicContact CG-CD1 3.98Å; M1-F375 HydrophobicContact SD-CB 4.49Å; M1-F375 HydrophobicContact SD-CD1 3.48Å; M1-F375 WeakPolarHBondContact SD-CD1 3.29Å; M1-F375 HydrophobicContact SD-CE1 3.88Å; M1-F375 HydrophobicContact SD-CG 4.16Å; Y2-F375 WeakPolarHBondContact O-CA 3.23Å; L3-F375 HydrophobicContact CB-CD1 4.13Å; L3-F375 HydrophobicContact CB-CE1 4.08Å; L3-F375 HydrophobicContact CD1-CD1 3.95Å; L3-F375 HydrophobicContact CD1-CD2 4.24Å; L3-F375 HydrophobicContact CD1-CE1 4.03Å; L3-F375 HydrophobicContact CD1-CE2 4.33Å; L3-F375 HydrophobicContact CD1-CG 4.08Å; L3-F375 HydrophobicContact CD1-CZ 4.23Å; L3-F375 HydrophobicContact CG-CE1 4.48Å; V16-F375 HydrophobicContact CG2-CE1 4.29Å; W60-F375 VanDerWaalsContact CD1-O 3.25Å; D330-F375 HydrophobicContact CB-CD2 4.06Å; D330-F375 PolarHBondContact OD2-N 3.35Å; V331-F375 VanDerWaalsContact C-CD2 3.46Å; A332-F375 HydrophobicContact CB-CD1 4.11Å; A332-F375 HydrophobicContact CB-CD2 3.97Å; A332-F375 HydrophobicContact CB-CE1 4.05Å; A332-F375 HydrophobicContact CB-CE2 3.9Å; A332-F375 HydrophobicContact CB-CG 4.05Å; A332-F375 HydrophobicContact CB-CZ 3.93Å; A332-F375 VanDerWaalsContact N-CD2 3.33Å; I337-F375 HydrophobicContact CG2-CZ 4.21Å; A339-F375 HydrophobicContact CB-CE2 3.49Å; A339-F375 VanDerWaalsContact CB-CE2 3.49Å; A339-F375 HydrophobicContact CB-CZ 3.58Å; F349-F375 HydrophobicContact CD1-CZ 4.43Å; F349-F375 HydrophobicContact CE1-CE1 4.4Å; F349-F375 AromaticContact CE1-CZ 3.96Å; F349-F375 HydrophobicContact CE1-CZ 3.96Å
376S84.6Confident67.9Low9 Ų972.8 Ų72.86%0.06339%0.387CS..  trans-66.1137.816672.30000109.2Y2Y2-S376 WeakPolarHBondContact CB-OG 3.35Å; Y2-S376 PolarHBondContact N-OG 2.82Å; Y2-S376 PolarHBondContact O-N 2.88Å; Y2-S376 PolarHBondContact O-OG 2.97Å
377F74Confident65.6Low28 Ų2879.9 Ų79.912%0.12341%0.414CS..  trans-127.9145.7166.169.7-80.7000108.9P62P62-F377 HydrophobicContact CB-CD2 4.15Å; P62-F377 HydrophobicContact CB-CE2 3.48Å; P62-F377 VanDerWaalsContact CB-CE2 3.48Å; P62-F377 HydrophobicContact CB-CZ 3.76Å; P62-F377 HydrophobicContact CG-CE2 4.4Å; P62-F377 HydrophobicContact CG-CZ 4.35Å
378T64.5Low62.8Low77 Ų7777.8 Ų77.847%0.47241%0.411SS..  trans-113.8125.4167.947.90000107.8C65 Q380C65-T378 WeakPolarHBondContact SG-CG2 3.5Å; T378-Q380 PolarHBondContact O-N 2.76Å; T378-Q380 VanDerWaalsContact O-N 3.14Å
379Y58.7Low59.9Low95 Ų9580.1 Ų80.137%0.37343%0.429SS..  trans-7699.9169-173.7-101000107.5R117 N381R117-Y379 HydrophobicContact CB-CD1 4.49Å; R117-Y379 HydrophobicContact CB-CE1 4.31Å; R117-Y379 HydrophobicContact CG-CE1 4.41Å; R117-Y379 HydrophobicContact CG-CE2 4.15Å; Y379-N381 HydrophobicContact CD1-CB 4.24Å; Y379-N381 HydrophobicContact CE1-CB 3.94Å; Y379-N381 WeakPolarHBondContact CE1-OD1 3.45Å; Y379-N381 PolarHBondContact O-N 2.84Å; Y379-N381 VanDerWaalsContact O-N 3.17Å; Y379-N381 PolarHBondContact OH-OD1 2.95Å
380Q50.2Low57.1Low144 Ų14483.4 Ų83.467%0.67345%0.45SS*.  trans-78.295171.6-70.1-174.89.300108T378 S382T378-Q380 PolarHBondContact O-N 2.76Å; T378-Q380 VanDerWaalsContact O-N 3.14Å; Q380-S382 PolarHBondContact O-N 2.61Å
381N44Very low54.2Low66 Ų6692.7 Ų92.735%0.35349%0.491SS..  trans-71.6127.5163.3-131.321.6000107.6Y379 D383 E384Y379-N381 HydrophobicContact CD1-CB 4.24Å; Y379-N381 HydrophobicContact CE1-CB 3.94Å; Y379-N381 WeakPolarHBondContact CE1-OD1 3.45Å; Y379-N381 PolarHBondContact O-N 2.84Å; Y379-N381 VanDerWaalsContact O-N 3.17Å; Y379-N381 PolarHBondContact OH-OD1 2.95Å; N381-D383 PolarHBondContact O-N 3.19Å; N381-D383 VanDerWaalsContact O-N 3.15Å; N381-E384 PolarHBondContact O-N 2.76Å
382S38.2Very low51.4Low119 Ų11994 Ų9483%0.83250%0.501SS*.THydrogen-bonded Turntrans-61.5-15.9171.148.50000112.9Q380 E384Q380-S382 PolarHBondContact O-N 2.61Å; S382-E384 VanDerWaalsContact C-N 3.34Å
383D32.7Very low48.4Very low131 Ų13199 Ų9970%0.70153%0.528SS*.THydrogen-bonded Turntrans-82.6-5.5178.8-66.7-15.8000114.2N381 V385N381-D383 PolarHBondContact O-N 3.19Å; N381-D383 VanDerWaalsContact O-N 3.15Å; D383-V385 VanDerWaalsContact C-N 3.35Å; D383-V385 PolarHBondContact O-N 3.03Å
384E34.8Very low45.3Very low128 Ų128109.5 Ų109.560%0.59857%0.567SS**  trans-74.294.9167.9-73.2-168.2170.300108.8N381 S382 R386N381-E384 PolarHBondContact O-N 2.76Å; S382-E384 VanDerWaalsContact C-N 3.34Å; E384-R386 VanDerWaalsContact C-N 3.27Å; E384-R386 PolarHBondContact O-N 2.94Å
385V27.8Very low42.3Very low109 Ų109114.1 Ų114.166%0.66160%0.597SS**  trans-51.1100.5157.6177.40000106.3D383 F387D383-V385 VanDerWaalsContact C-N 3.35Å; D383-V385 PolarHBondContact O-N 3.03Å; V385-F387 VanDerWaalsContact C-N 3.3Å; V385-F387 HydrophobicContact CG1-CE1 4.31Å; V385-F387 HydrophobicContact CG1-CE2 4.5Å; V385-F387 HydrophobicContact CG1-CZ 4.3Å; V385-F387 PolarHBondContact O-N 2.83Å
386R26.3Very low39.3Very low201 Ų201123.8 Ų123.876%0.75864%0.642SS**  trans-64.799169.8-72.6-173.1-179.4177.72.6106.1E384 S388E384-R386 VanDerWaalsContact C-N 3.27Å; E384-R386 PolarHBondContact O-N 2.94Å; R386-S388 PolarHBondContact O-N 2.51Å
387F28.7Very low36.5Very low188 Ų188127.8 Ų127.883%0.82567%0.67SS**  trans-63.297.6160.7-64.3-77.9000105.9V385 S389V385-F387 VanDerWaalsContact C-N 3.3Å; V385-F387 HydrophobicContact CG1-CE1 4.31Å; V385-F387 HydrophobicContact CG1-CE2 4.5Å; V385-F387 HydrophobicContact CG1-CZ 4.3Å; V385-F387 PolarHBondContact O-N 2.83Å; F387-S389 VanDerWaalsContact C-N 3.33Å; F387-S389 PolarHBondContact O-N 3.5Å
388S28.4Very low34.4Very low106 Ų106135.1 Ų135.174%0.74171%0.71SS**  trans-59.3106.7161.752.90000105.5R386 P390R386-S388 PolarHBondContact O-N 2.51Å; S388-P390 VanDerWaalsContact O-N 3.13Å
389S28.2Very low32.6Very low103 Ų103139.6 Ų139.672%0.7273%0.725SS**  trans-49.8123.7165.751.30000106.5F387 K391F387-S389 VanDerWaalsContact C-N 3.33Å; F387-S389 PolarHBondContact O-N 3.5Å; S389-K391 PolarHBondContact O-N 2.9Å
390P31.4Very low31Very low118 Ų118141.7 Ų141.777%0.76674%0.743SS**  trans-51.6131.2-179.2-2230.2000108.1S388 S392S388-P390 VanDerWaalsContact O-N 3.13Å; P390-S392 PolarHBondContact O-N 2.92Å
391K31Very low30Very low196 Ų196143.4 Ų143.485%0.85275%0.751SS**  trans-49112.7169.3-78.5180176.7178.50106.3S389 N393S389-K391 PolarHBondContact O-N 2.9Å; K391-N393 PolarHBondContact O-N 2.95Å
392S30.6Very low29.2Very low99 Ų99146.4 Ų146.469%0.69277%0.767SS**  trans-70.181-179.1550000108.6P390 W394P390-S392 PolarHBondContact O-N 2.92Å; S392-W394 PolarHBondContact O-N 2.84Å
393N26.7Very low28.6Very low149 Ų149147.5 Ų147.580%0.79776%0.763SS**  trans-82.370.2159.2-71.91.3000106.7K391K391-N393 PolarHBondContact O-N 2.95Å
394W27.5Very low28.3Very low225 Ų225148.6 Ų148.685%0.85277%0.768SS**  trans-95.7117.6165.3-79.898.3000107S392 E396S392-W394 PolarHBondContact O-N 2.84Å; W394-E396 PolarHBondContact O-N 3Å
395P29.5Very low28Very low105 Ų105147.5 Ų147.568%0.68278%0.781SS**  trans-62.6131.9176.1-15.928.5000110.1S397P395-S397 VanDerWaalsContact C-N 3.32Å; P395-S397 PolarHBondContact O-N 3.02Å
396E27.7Very low27.7Very low203 Ų203153.2 Ų153.295%0.94979%0.791SS**SBendtrans-6088.4167.1-73.2174.5140.100110.2W394W394-E396 PolarHBondContact O-N 3Å
397S26.5Very low27.7Very low93 Ų93148.2 Ų148.265%0.6579%0.787SS**  trans-172.890.9157.457.70000109.7P395P395-S397 VanDerWaalsContact C-N 3.32Å; P395-S397 PolarHBondContact O-N 3.02Å
398L29.7Very low27.5Very low182 Ų182148.3 Ų148.395%0.95379%0.79SS**  trans-158.874142.4-98.8152.9000104.9
399Q25.5Very low27.3Very low171 Ų171146.8 Ų146.880%0.79979%0.791SS**  trans-54.7141.3158-83.8172.9-20.600109.2
400D26Very low27Very low140 Ų140149.6 Ų149.675%0.74980%0.798SS**  trans41.2111.5133.6-55.6-33.3000117.7
401E29Very low26.8Very low179 Ų179149.1 Ų149.184%0.83680%0.797SS**  -168.8117.8116.6-103.9-178.3-178.600111.8
402N27.8Very low26.4Very low129 Ų129145.9 Ų145.969%0.6979%0.794SS**  39.5115.5128.6-67.4-35.4000118.7
403L25.7Very low26.1Very low143 Ų143146.2 Ų146.275%0.74980%0.797SS**  65.1119.987.3-77164.1000114.4
404D25Very low26.2Very low153 Ų153145.8 Ų145.882%0.81880%0.799SS**  trans65.697.7154.7-62.7-26.4000120
405A30.1Very low25.9Very low105 Ų105143.8 Ų143.887%0.86880%0.799SS**  trans-154.413313900000112.5
406R21.4Very low25.8Very low229 Ų229143.9 Ų143.986%0.86480%0.802SS**  trans-67.1163.3179.1-68.4168167.4176.7-4.3113
407S24.5Very low25.5Very low97 Ų97140.4 Ų140.468%0.67880%0.795SS**  trans75.9125.2137.161.80000120.4
408H25Very low25.6Very low189 Ų189143 Ų14388%0.87581%0.807SS**  trans71.9117.1146.1-68.2-56000119.9
409G24.3Very low25.3Very low74 Ų74139.8 Ų139.876%0.76380%0.795SS**  104.2102.9119.200000115.8
410N22.7Very low25.4Very low162 Ų162138.3 Ų138.387%0.86679%0.792SS**  trans-15.2126.7152.3-64.5-19.1000115.6
411S26.1Very low25.4Very low109 Ų109137.8 Ų137.876%0.76279%0.794SS**  165.8120.3111.142.30000112.9
412T23.1Very low25.6Very low127 Ų127137.4 Ų137.478%0.77980%0.797SS**  trans32.9124138.852.90000122.4
413S24.8Very low25.8Very low107 Ų107139.6 Ų139.675%0.74881%0.808SS**  trans67.7122.4135.566.10000119.4
414V28.9Very low26Very low139 Ų139140.6 Ų140.684%0.84281%0.812SS**  -166.3134.2110.5162.60000109.8
415Q20.6Very low26.5Very low183 Ų183138.6 Ų138.686%0.85581%0.81SS**  trans-78.6147.4174-64.4165.9-50.800112.3
416S27.4Very low26.5Very low108 Ų108138.7 Ų138.776%0.75581%0.805SS**  trans-164.3106.2144.750.80000108
417T22.6Very low26.9Very low129 Ų129139.8 Ų139.879%0.79181%0.809SS**  4999.779.263.60000115.6
418V28.1Very low27Very low148 Ų148143.5 Ų143.590%0.89782%0.816SS**  trans-131.6129151.4179.50000108.1
419T23.2Very low27.3Very low114 Ų114140.2 Ų140.270%0.69981%0.811SS**  trans-92.7151.6-177.338.80000112.4
420D26.7Very low27.5Very low141 Ų141145 Ų14575%0.75482%0.818SS**  trans160.2101.2133.4-79.3-14.5000110.5
421T25.7Very low27.9Very low129 Ų129146 Ų14679%0.79182%0.817SS**  62.690.591.258.50000116.9
422L33.4Very low27.8Very low170 Ų170149 Ų14989%0.8982%0.819SS**  trans-134.2130.3149.9-81.3174.4000110.2
423L32.2Very low28Very low175 Ų175148.6 Ų148.692%0.91682%0.816SS**  trans-63.4127.1-163.9-77.6114.6000115.2
424I30.9Very low28Very low165 Ų165149.6 Ų149.685%0.84681%0.813SS**  trans-89.7110.4160.3-65.8168.1000107.3
425S33.9Very low27.9Very low111 Ų111149.3 Ų149.378%0.77681%0.807SS**  trans-71.4126.5166.954.50000109.6R427S425-R427 PolarHBondContact O-N 3.13Å
426S32Very low28.2Very low107 Ų107146.7 Ų146.775%0.74880%0.803SS**  trans-65.4118.7-176.644.70000111.7Q428S426-Q428 PolarHBondContact O-N 3.17Å
427R29.4Very low28.3Very low251 Ų251148.4 Ų148.495%0.94780%0.803SS**  trans-71.8109.5161.5-75-174.5178.4-154.7-0.9108.1S425S425-R427 PolarHBondContact O-N 3.13Å
428Q27.2Very low28.6Very low176 Ų176147.9 Ų147.982%0.82280%0.799SS**PPolyproline II helixtrans-65.2138.3170.6-78.4179.2-25.700110.5S426S426-Q428 PolarHBondContact O-N 3.17Å
429P30.2Very low28.6Very low120 Ų120150.6 Ų150.678%0.77980%0.799SS**PPolyproline II helixtrans-70.6136.5177.127.8-31.8000110.9H431P429-H431 PolarHBondContact O-N 3.42Å
430L28.8Very low28.8Very low174 Ų174150 Ų15091%0.91180%0.798SS**PPolyproline II helixtrans-55.6131.1174.3-78.1154.3000110.4
431H29.8Very low29Very low182 Ų182150 Ų15084%0.84379%0.794SS**PPolyproline II helixtrans-53.3143.9177.7-87.4-69000112.9P429 V433P429-H431 PolarHBondContact O-N 3.42Å; H431-V433 PolarHBondContact O-N 3.24Å; H431-V433 VanDerWaalsContact O-N 3.12Å
432E25.3Very low29.4Very low172 Ų172148.4 Ų148.480%0.80479%0.786SS**  trans-47.1102.3-179.8-152.4168.1-155.200112.4N434E432-N434 PolarHBondContact O-N 2.89Å
433V27Very low29.4Very low119 Ų119145.6 Ų145.672%0.72177%0.771SS**  trans-78.1100169.3179.90000107H431 N435H431-V433 PolarHBondContact O-N 3.24Å; H431-V433 VanDerWaalsContact O-N 3.12Å; V433-N435 VanDerWaalsContact C-N 3.27Å; V433-N435 PolarHBondContact O-N 3.16Å
434N24.9Very low30.2Very low129 Ų129140.8 Ų140.869%0.6975%0.749SS**  trans-63.688.8170.5-78.2-20.7000109.4E432 V436E432-N434 PolarHBondContact O-N 2.89Å; N434-V436 VanDerWaalsContact C-N 3.35Å; N434-V436 PolarHBondContact O-N 2.84Å
435N27.3Very low30.5Very low132 Ų132138.4 Ų138.471%0.70673%0.73SS**  trans-65.1101.1163.3-76.4-22.1000107.2V433 I437V433-N435 VanDerWaalsContact C-N 3.27Å; V433-N435 PolarHBondContact O-N 3.16Å; N435-I437 PolarHBondContact O-N 3.46Å
436V26.5Very low30.7Very low128 Ų128135.9 Ų135.978%0.77672%0.715SS**  trans-65.187164.81800000106.4N434 T438N434-V436 VanDerWaalsContact C-N 3.35Å; N434-V436 PolarHBondContact O-N 2.84Å; V436-T438 VanDerWaalsContact C-N 3.34Å; V436-T438 PolarHBondContact O-N 3.24Å
437I28.8Very low31.2Very low145 Ų145134 Ų13474%0.74470%0.702SS**  trans-68102.3165.2-59173.2000104.6N435 K439N435-I437 PolarHBondContact O-N 3.46Å; I437-K439 PolarHBondContact O-N 3.21Å
438T30Very low31.5Very low118 Ų118124.5 Ų124.572%0.72467%0.67SS**  trans-50.2126.7168.139.40000107.7V436 C440V436-T438 VanDerWaalsContact C-N 3.34Å; V436-T438 PolarHBondContact O-N 3.24Å; T438-C440 PolarHBondContact O-N 2.88Å
439K28Very low32Very low205 Ų205122.7 Ų122.789%0.89166%0.66SS**  trans-45.195.7-178.4-81175.8171.2176.80110.7I437 Q441I437-K439 PolarHBondContact O-N 3.21Å; K439-Q441 PolarHBondContact O-N 3.31Å
440C26.2Very low32.4Very low101 Ų101126.6 Ų126.668%0.68266%0.659SS**  trans-69.5116.6163.1-149.50000105.2T438T438-C440 PolarHBondContact O-N 2.88Å
441Q30.5Very low32.9Very low141 Ų141123.9 Ų123.966%0.65964%0.642SS**  trans-56.2128.4-175.8-80.5-169-33.200109.5K439 D443 T444K439-Q441 PolarHBondContact O-N 3.31Å; Q441-D443 PolarHBondContact O-N 3.13Å; Q441-T444 PolarHBondContact O-OG1 2.9Å; Q441-T444 VanDerWaalsContact O-OG1 3.06Å
442P34.1Very low33Very low96 Ų96119.4 Ų119.462%0.62362%0.62SS**THydrogen-bonded Turntrans-63.7-10.9-176.524-32.1000113.8T444 W445P442-T444 VanDerWaalsContact C-N 3.3Å; P442-T444 PolarHBondContact O-N 3.34Å; P442-W445 PolarHBondContact O-N 3.48Å
443D35.4Very low33.2Very low110 Ų110115.4 Ų115.459%0.58861%0.611SS**Hα-helixtrans-72.2-18.5-175.3-64-27.8000113.8Q441 S447Q441-D443 PolarHBondContact O-N 3.13Å; D443-S447 WeakPolarHBondContact O-CB 3.39Å; D443-S447 PolarHBondContact O-N 3.24Å; D443-S447 PolarHBondContact O-OG 3.06Å
444T47.1Very low33.3Very low74 Ų74115 Ų11545%0.45461%0.608SS.*Hα-helixtrans-67.8-34.3171.633.50000112.1Q441 P442 S447 L448Q441-T444 PolarHBondContact O-OG1 2.9Å; Q441-T444 VanDerWaalsContact O-OG1 3.06Å; P442-T444 VanDerWaalsContact C-N 3.3Å; P442-T444 PolarHBondContact O-N 3.34Å; T444-S447 PolarHBondContact O-OG 3.16Å; T444-S447 VanDerWaalsContact O-OG 3.05Å; T444-L448 WeakPolarHBondContact O-CB 3Å; T444-L448 WeakPolarHBondContact O-CD1 2.93Å; T444-L448 WeakPolarHBondContact O-CG 3.22Å; T444-L448 PolarHBondContact O-N 2.86Å; T444-L448 VanDerWaalsContact O-N 3.17Å
445W37.3Very low33.6Very low116 Ų116114 Ų11444%0.43961%0.609SS.*Hα-helixtrans-77.6-41.6-178.9-62.8102.5000112.5P442 S447 L448 F449 M568P442-W445 PolarHBondContact O-N 3.48Å; W445-S447 VanDerWaalsContact C-N 3.34Å; W445-S447 PolarHBondContact O-N 3.03Å; W445-L448 HydrophobicContact CE3-CD1 4Å; W445-L448 HydrophobicContact CZ3-CD1 4.25Å; W445-L448 WeakPolarHBondContact O-CB 3.25Å; W445-L448 PolarHBondContact O-N 3.4Å; W445-F449 WeakPolarHBondContact O-CD2 3.1Å; W445-F449 PolarHBondContact O-N 2.9Å; W445-M568 HydrophobicContact CH2-CE 3.73Å; W445-M568 HydrophobicContact CH2-CG 4.32Å; W445-M568 HydrophobicContact CH2-SD 4.29Å; W445-M568 HydrophobicContact CZ3-CE 3.65Å; W445-M568 HydrophobicContact CZ3-CG 4.19Å; W445-M568 HydrophobicContact CZ3-SD 3.79Å
446A38.4Very low33.7Very low57 Ų57115.1 Ų115.147%0.47162%0.615SS.*Hα-helixtrans-67.1-35.3179.200000112.4F449 R450A446-F449 PolarHBondContact O-N 2.81Å; A446-R450 PolarHBondContact O-N 3.22Å
447S43.7Very low33.8Very low68 Ų68115.7 Ų115.748%0.47661%0.613SS.*Hα-helixtrans-69.3-37.6172.9480000112D443 T444 W445 F449 R450D443-S447 WeakPolarHBondContact O-CB 3.39Å; D443-S447 PolarHBondContact O-N 3.24Å; D443-S447 PolarHBondContact O-OG 3.06Å; T444-S447 PolarHBondContact O-OG 3.16Å; T444-S447 VanDerWaalsContact O-OG 3.05Å; W445-S447 VanDerWaalsContact C-N 3.34Å; W445-S447 PolarHBondContact O-N 3.03Å; S447-F449 PolarHBondContact O-N 3.22Å; S447-R450 PolarHBondContact O-N 2.66Å
448L35.7Very low33.7Very low52 Ų52113.5 Ų113.527%0.27261%0.61SS.*Hα-helixtrans-60-40.1172.1-83.1166000113T444 W445 F452 K564T444-L448 WeakPolarHBondContact O-CB 3Å; T444-L448 WeakPolarHBondContact O-CD1 2.93Å; T444-L448 WeakPolarHBondContact O-CG 3.22Å; T444-L448 PolarHBondContact O-N 2.86Å; T444-L448 VanDerWaalsContact O-N 3.17Å; W445-L448 HydrophobicContact CE3-CD1 4Å; W445-L448 HydrophobicContact CZ3-CD1 4.25Å; W445-L448 WeakPolarHBondContact O-CB 3.25Å; W445-L448 PolarHBondContact O-N 3.4Å; L448-F452 WeakPolarHBondContact O-CD2 3.28Å; L448-K564 HydrophobicContact CD2-CD 3.92Å
449F37.4Very low33.6Very low138 Ų138115.1 Ų115.161%0.60561%0.613SS**Hα-helixtrans-81.5-26.9178.6-70.8-66.3000113.9W445 A446 S447 E451 F452W445-F449 WeakPolarHBondContact O-CD2 3.1Å; W445-F449 PolarHBondContact O-N 2.9Å; A446-F449 PolarHBondContact O-N 2.81Å; S447-F449 PolarHBondContact O-N 3.22Å; F449-E451 PolarHBondContact O-N 3.29Å; F449-F452 HydrophobicContact CD1-CD2 4.36Å; F449-F452 WeakPolarHBondContact O-CB 3.29Å; F449-F452 PolarHBondContact O-N 2.98Å
450R39Very low33.5Very low201 Ų201113.4 Ų113.476%0.75861%0.608SS**Hα-helixtrans-63.4-27.4173.8-87.6-169.5-175.5-162.33.1112.9A446 S447 F452 S453A446-R450 PolarHBondContact O-N 3.22Å; S447-R450 PolarHBondContact O-N 2.66Å; R450-F452 PolarHBondContact O-N 2.88Å; R450-F452 VanDerWaalsContact O-N 3.16Å; R450-S453 PolarHBondContact O-N 3.42Å; R450-S453 PolarHBondContact O-OG 2.78Å
451E38.4Very low33.6Very low117 Ų117114 Ų11455%0.54761%0.613SS.*THydrogen-bonded Turntrans-69.6-5.9172.6-82.8-172.515400114.6F449 K560 K564F449-E451 PolarHBondContact O-N 3.29Å; E451-K560 PolarHBondContact O-NZ 3.25Å; E451-K564 IonicContact OE2-NZ 2.78Å; E451-K564 PolarHBondContact OE2-NZ 3.1Å
452F32.1Very low33.3Very low88 Ų88114.4 Ų114.439%0.38662%0.62SS.*THydrogen-bonded Turntrans-93.4-2.9170.2-68.2-89.4000113L448 F449 R450 V454 K564L448-F452 WeakPolarHBondContact O-CD2 3.28Å; F449-F452 HydrophobicContact CD1-CD2 4.36Å; F449-F452 WeakPolarHBondContact O-CB 3.29Å; F449-F452 PolarHBondContact O-N 2.98Å; R450-F452 PolarHBondContact O-N 2.88Å; R450-F452 VanDerWaalsContact O-N 3.16Å; F452-V454 PolarHBondContact O-N 3.03Å; F452-V454 VanDerWaalsContact O-N 3.13Å; F452-K564 HydrophobicContact CZ-CG 4.4Å
453S29.6Very low33.1Very low89 Ų89115.5 Ų115.562%0.62263%0.63SS**SBendtrans-67116.8167.854.90000108.6R450R450-S453 PolarHBondContact O-N 3.42Å; R450-S453 PolarHBondContact O-OG 2.78Å
454V29.7Very low32.5Very low109 Ų109115.2 Ų115.266%0.66164%0.637SS**  trans-39.4127.7173.5-178.30000109.1F452 D456F452-V454 PolarHBondContact O-N 3.03Å; F452-V454 VanDerWaalsContact O-N 3.13Å; V454-D456 PolarHBondContact O-N 2.85Å; V454-D456 VanDerWaalsContact O-N 3.09Å
455P30.7Very low31.4Very low109 Ų109119.9 Ų119.971%0.70866%0.656SS**  trans-58.4119.9163.8-12.525.6000106I457P455-I457 VanDerWaalsContact C-N 3.33Å; P455-I457 PolarHBondContact O-N 3.42Å
456D28.9Very low30.9Very low155 Ų155124.8 Ų124.883%0.82968%0.68SS**  trans-50.8104.5171.1-73-40.5000107.2V454 S458V454-D456 PolarHBondContact O-N 2.85Å; V454-D456 VanDerWaalsContact O-N 3.09Å; D456-S458 PolarHBondContact O-N 2.93Å
457I29.2Very low30.1Very low141 Ų141126.8 Ų126.872%0.72370%0.697SS**  trans-71.589.9174.8-61.8170.8000104P455 L459P455-I457 VanDerWaalsContact C-N 3.33Å; P455-I457 PolarHBondContact O-N 3.42Å; I457-L459 VanDerWaalsContact C-N 3.27Å; I457-L459 PolarHBondContact O-N 2.92Å
458S26.5Very low29.3Very low98 Ų98128.6 Ų128.669%0.68571%0.709SS**  trans-59.595.8167.552.90000107.5D456 H460D456-S458 PolarHBondContact O-N 2.93Å; S458-H460 PolarHBondContact O-N 3.22Å
459L28.3Very low28.7Very low153 Ų153131 Ų13180%0.80173%0.731SS**  trans-66.859.7168-84.8157000110I457I457-L459 VanDerWaalsContact C-N 3.27Å; I457-L459 PolarHBondContact O-N 2.92Å
460H26.1Very low28.1Very low169 Ų169130.9 Ų130.978%0.78274%0.736SS**  trans-14560.7171.6-70.5-52000110.2S458S458-H460 PolarHBondContact O-N 3.22Å
461S27.5Very low27.4Very low113 Ų113129.7 Ų129.779%0.7974%0.74SS**  trans-91.897.5155.746.80000108.5S463S461-S463 PolarHBondContact O-N 2.89Å
462N25.1Very low26.7Very low149 Ų149130 Ų13080%0.79775%0.753SS**  trans-56.1103.5166.8-77.6-29.9000109.9S464N462-S464 PolarHBondContact O-N 3.39Å
463S28Very low26.1Very low120 Ų120131.2 Ų131.284%0.83977%0.773SS**  trans-90.175.6164.353.40000109.8S461 M465S461-S463 PolarHBondContact O-N 2.89Å; S463-M465 PolarHBondContact O-N 2.08Å
464S23.5Very low25.9Very low104 Ų104132.9 Ų132.973%0.72778%0.778SS**  trans-88.187.3162.658.40000109.2N462N462-S464 PolarHBondContact O-N 3.39Å
465M25.1Very low25.5Very low172 Ų172137.4 Ų137.485%0.84779%0.789SS**  trans-166.293.4154.8-84.7-141.817600108.7S463S463-M465 PolarHBondContact O-N 2.08Å
466F25.3Very low25.3Very low218 Ų218136 Ų13696%0.95678%0.782SS**  -176.4122.9128.3-92.2-66.3000108.1
467A22.6Very low25Very low99 Ų99133.5 Ų133.582%0.81878%0.777SS**  trans-113.1123176.100000109.1
468S26.3Very low24.8Very low106 Ų106138.2 Ų138.274%0.74179%0.786SS**  trans174.5101.515253.10000107.1
469S23.7Very low24.8Very low103 Ų103138.1 Ų138.172%0.7279%0.785SS**  49.98793.969.20000113.6
470D24.3Very low24.6Very low135 Ų135139.7 Ų139.772%0.72279%0.789SS**  167.5136.6100.7-93.9-24.8000112
471Q24.3Very low24.7Very low177 Ų177137.5 Ų137.583%0.82779%0.786SS**  trans56.495.5149.5-58.417823.400118.8
472C23Very low24.6Very low124 Ų124137 Ų13784%0.83878%0.775SS**  168.2117.2106.2-1480000108.6V474C472-V474 PolarHBondContact O-N 3.29Å; C472-V474 VanDerWaalsContact O-N 3.12Å
473S21.4Very low24.9Very low113 Ų113136.4 Ų136.479%0.7977%0.771SS**  trans-7497.8-176.452.10000111.8
474V25.2Very low24.9Very low123 Ų123136.4 Ų136.475%0.74576%0.761SS**  trans-108.190.7153.3-178.30000106.9C472 S476C472-V474 PolarHBondContact O-N 3.29Å; C472-V474 VanDerWaalsContact O-N 3.12Å; V474-S476 PolarHBondContact O-N 2.85Å
475K21.5Very low25.3Very low204 Ų204137.3 Ų137.389%0.88776%0.758SS**  trans-69.882.2166-81-178.8174.4178.70108.1S477K475-S477 VanDerWaalsContact C-N 3.3Å; K475-S477 PolarHBondContact O-N 3.31Å
476S25.5Very low25.6Very low80 Ų80134.2 Ų134.256%0.55975%0.748SS**  trans-81.587.2156.247.20000107.3V474 W478V474-S476 PolarHBondContact O-N 2.85Å; S476-W478 VanDerWaalsContact O-CD1 3.27Å; S476-W478 PolarHBondContact O-N 2.86Å
477S22.9Very low25.7Very low103 Ų103133 Ų13372%0.7274%0.743SS**  trans-62.5106.216353.40000107.4K475 S479K475-S477 VanDerWaalsContact C-N 3.3Å; K475-S477 PolarHBondContact O-N 3.31Å; S477-S479 PolarHBondContact O-N 2.93Å
478W25.2Very low26.1Very low239 Ų239137.4 Ų137.491%0.90574%0.743SS**  trans-68.785.6166.6-69.572.5000107S476 E480S476-W478 VanDerWaalsContact O-CD1 3.27Å; S476-W478 PolarHBondContact O-N 2.86Å; W478-E480 PolarHBondContact O-N 2.86Å
479S25.3Very low26.2Very low96 Ų96137.8 Ų137.867%0.67174%0.741SS**  trans-67.6114.5162.850.80000106.8S477 V481S477-S479 PolarHBondContact O-N 2.93Å; S479-V481 PolarHBondContact O-N 2.81Å
480E25.5Very low26.4Very low187 Ų187138.4 Ų138.487%0.87474%0.74SS**  trans-39.8114.1164-72.3172.8143.200108.8W478 N482W478-E480 PolarHBondContact O-N 2.86Å; E480-N482 VanDerWaalsContact C-N 3.26Å; E480-N482 PolarHBondContact O-N 2.84Å
481V26.6Very low26.4Very low122 Ų122137.8 Ų137.874%0.73975%0.747SS**  trans-66.698168.81750000105.5S479 I483S479-V481 PolarHBondContact O-N 2.81Å; V481-I483 PolarHBondContact O-N 2.6Å
482N25.6Very low26.4Very low103 Ų103136.8 Ų136.855%0.55175%0.746SS**  trans-59.2107.3175.3-170.9-11.1000108.7E480 D484 N485E480-N482 VanDerWaalsContact C-N 3.26Å; E480-N482 PolarHBondContact O-N 2.84Å; N482-D484 PolarHBondContact O-N 3.44Å; N482-D484 PolarHBondContact OD1-N 2.93Å; N482-N485 PolarHBondContact O-N 2.74Å
483I31.4Very low26.4Very low137 Ų137142.2 Ų142.270%0.70375%0.749SS**G310 helixtrans-63.3-12.3-174.4-67173.7000112V481 N485V481-I483 PolarHBondContact O-N 2.6Å; I483-N485 VanDerWaalsContact C-N 3.3Å; I483-N485 PolarHBondContact O-N 3.34Å
484D28.5Very low26.7Very low120 Ų120142 Ų14264%0.64275%0.745SS**G310 helixtrans-70.7-20177.5-75.1-24.8000114.4N482N482-D484 PolarHBondContact O-N 3.44Å; N482-D484 PolarHBondContact OD1-N 2.93Å
485N32.4Very low26.6Very low122 Ų122144.5 Ų144.565%0.65275%0.748SS**G310 helixtrans-83.8-11.4179.8-86.9-8.6000114.8N482 I483 T489N482-N485 PolarHBondContact O-N 2.74Å; I483-N485 VanDerWaalsContact C-N 3.3Å; I483-N485 PolarHBondContact O-N 3.34Å; N485-T489 PolarHBondContact O-OG1 2.89Å
486V31.3Very low26.8Very low107 Ų107139.1 Ų139.165%0.64874%0.737SS**G310 helixtrans-84.8-19.4179.1-178.30000112K488V486-K488 VanDerWaalsContact C-N 3.27Å; V486-K488 PolarHBondContact O-N 2.94Å
487K27.7Very low26.9Very low194 Ų194143 Ų14384%0.84375%0.751SS**G310 helixtrans-75.6-6.8177.8-87-177.4177.3173.80115
488K30.6Very low26.9Very low190 Ų190144.1 Ų144.183%0.82675%0.753SS**G310 helixtrans-109.11.9-178.3-83-174.8176.8177.20116V486V486-K488 VanDerWaalsContact C-N 3.27Å; V486-K488 PolarHBondContact O-N 2.94Å
489T28.7Very low26.9Very low114 Ų114139.3 Ų139.370%0.69975%0.745SS**SBendtrans-119.318.4-168.9-110000115.6N485N485-T489 PolarHBondContact O-OG1 2.89Å
490V26.8Very low26.9Very low116 Ų116139.8 Ų139.870%0.70374%0.744SS**  trans-127.761.4169-164.90000110L492V490-L492 HydrophobicContact CG1-CD1 4.18Å; V490-L492 HydrophobicContact CG1-CG 4.31Å
491S25.2Very low26.9Very low122 Ų122138.5 Ų138.585%0.85374%0.743SS**  trans-97.991.2151.7-770000107.6R493S491-R493 PolarHBondContact O-N 2.89Å
492L23.7Very low26.7Very low157 Ų157139.9 Ų139.982%0.82275%0.746SS**  trans-59.7108.7162.3-75151.1000108V490V490-L492 HydrophobicContact CG1-CD1 4.18Å; V490-L492 HydrophobicContact CG1-CG 4.31Å
493R23.7Very low26.7Very low237 Ų237141.7 Ų141.789%0.89476%0.755SS**  trans-148.7128.7150.4-113.2178.7-172176.51.7110.9S491S491-R493 PolarHBondContact O-N 2.89Å
494P28Very low26.5Very low108 Ų108143.4 Ų143.470%0.70176%0.758SS**  trans-82.6161.2175.537-31.9000109.5
495E23Very low26.3Very low176 Ų176144.3 Ų144.382%0.82276%0.763SS**  trans142.394.5157.2-81.1169.6-166.200108
496S25.4Very low26.1Very low92 Ų92146.2 Ų146.264%0.64377%0.767SS**  60.199.896.669.20000111.8
497N26.9Very low25.8Very low162 Ų162149.6 Ų149.687%0.86678%0.776SS**  -169.196.8123.5-88.7-21.1000109.4
498V24.6Very low25.8Very low125 Ų125149 Ų14976%0.75878%0.781SS**  trans-63.5116.7154170.10000106.7
499D23.9Very low25.6Very low138 Ų138149.7 Ų149.774%0.73878%0.784SS**  175.8115.3113.2-96.1-36000113.6
500V24.9Very low25.6Very low107 Ų107149.7 Ų149.765%0.64879%0.789SS**  26.7113.4129.6-168.80000117.9
501N25.4Very low25.5Very low159 Ų159149.3 Ų149.385%0.8579%0.792SS**  trans-145.488.1135.4-113.6-29.4000110.7
502L23.9Very low25.6Very low152 Ų152151.3 Ų151.380%0.79679%0.793SS**  trans-80.4116.8159.4-93.3113.7000108.1
503N26Very low25.8Very low140 Ų140154.9 Ų154.975%0.74980%0.797SS**  trans-150.7110.5151.2-105.2-26.1000112.4
504K25.5Very low25.9Very low174 Ų174152.6 Ų152.676%0.75780%0.796SS**  trans24.9118135.5-65.1177176.9176.10116.9
505N25.8Very low25.8Very low139 Ų139152.3 Ų152.374%0.74380%0.796SS**  174.2144.498.2-95.4-31.2000113.9
506Q26.5Very low26.1Very low161 Ų161150.3 Ų150.375%0.75279%0.79SS**  trans93.9117.2147.3-73.1167.41900121.2
507Q26.7Very low26.2Very low179 Ų179155.3 Ų155.384%0.83680%0.8SS**  trans78.574.8143.3-68.8-179.8-13.500118.7
508L26.4Very low26.3Very low181 Ų181154.1 Ų154.195%0.94879%0.794SS**  trans-79113.5152.3-90.6134.8000110
509K27.3Very low26.7Very low205 Ų205154 Ų15489%0.89179%0.794SS**  trans-81.7128157.3-80.9-179.7174.81780108.5
510S28.4Very low27Very low113 Ų113154.6 Ų154.679%0.7980%0.796SS**  trans-70.8131176.851.80000112.3
511S25.2Very low27.3Very low109 Ų109155.7 Ų155.776%0.76280%0.798SS**  158.692.6113.861.50000109.6
512D26.1Very low27.9Very low164 Ų164154.7 Ų154.788%0.87779%0.791SS**  trans-143141.6162.7-98.1-32.3000110.8
513Y28.1Very low28.6Very low232 Ų232154.6 Ų154.691%0.9179%0.791SS**  trans-61.6137.1-165.7-88.2-105.3000114.4
514H25.5Very low29.2Very low188 Ų188152.4 Ų152.487%0.8779%0.787SS**  trans-64.5130.9161-74.5-85.8000111.1
515S27Very low29.9Very low102 Ų102149.6 Ų149.671%0.71378%0.784SS**  -173.1116.2120.965.50000112.4
516I27.9Very low30.7Very low135 Ų135150.1 Ų150.169%0.69279%0.787SS**  trans70.881.4141.7-49.4162.9000115.6D518I516-D518 VanDerWaalsContact CG2-OD1 3.31Å; I516-D518 WeakPolarHBondContact CG2-OD1 3.47Å; I516-D518 PolarHBondContact O-N 3.05Å
517K27.3Very low31.3Very low197 Ų197145.6 Ų145.686%0.85777%0.77SS**  trans-71.194.8146.1-80.3178.4174.5177.60107.5T519K517-T519 PolarHBondContact O-N 3Å
518D30.4Very low32.4Very low136 Ų136140.9 Ų140.973%0.72775%0.754SS**  trans-67.191.9157.7-77.9-28.7000107.3I516 L520I516-D518 VanDerWaalsContact CG2-OD1 3.31Å; I516-D518 WeakPolarHBondContact CG2-OD1 3.47Å; I516-D518 PolarHBondContact O-N 3.05Å; D518-L520 PolarHBondContact O-N 3.02Å
519T31.9Very low34Very low124 Ų124138.4 Ų138.476%0.76174%0.742SS**  trans-60.688.3159.838.50000107.4K517 N521K517-T519 PolarHBondContact O-N 3Å; T519-N521 VanDerWaalsContact C-N 3.27Å; T519-N521 PolarHBondContact O-N 3.05Å
520L30.1Very low35.7Very low150 Ų150135.8 Ų135.879%0.78573%0.733SS**  trans-59.397.8164.7-89.2159.7000107.2D518 I522D518-L520 PolarHBondContact O-N 3.02Å; L520-I522 VanDerWaalsContact C-N 3.3Å; L520-I522 PolarHBondContact O-N 2.96Å
521N32.9Very low37.8Very low129 Ų129136.8 Ų136.869%0.6972%0.719SS**  trans-70.987.6174.9-160.83.9000107.2T519 N523T519-N521 VanDerWaalsContact C-N 3.27Å; T519-N521 PolarHBondContact O-N 3.05Å; N521-N523 PolarHBondContact O-N 2.9Å; N521-N523 VanDerWaalsContact O-N 3.09Å
522I36.5Very low39.4Very low139 Ų139134.2 Ų134.271%0.71370%0.697SS**G310 helixtrans-68.7-1.1-177.9-67.6166.3000112.1L520 S524L520-I522 VanDerWaalsContact C-N 3.3Å; L520-I522 PolarHBondContact O-N 2.96Å; I522-S524 VanDerWaalsContact C-N 3.25Å; I522-S524 PolarHBondContact O-N 3.1Å; I522-S524 VanDerWaalsContact O-N 3.08Å
523N38.5Very low41.1Very low149 Ų149131.3 Ų131.380%0.79768%0.681SS**G310 helixtrans-79.115.3-173.7-75.6-4.2000116.2N521N521-N523 PolarHBondContact O-N 2.9Å; N521-N523 VanDerWaalsContact O-N 3.09Å
524S38.2Very low42.9Very low95 Ų95126.6 Ų126.666%0.66467%0.667SS**G310 helixtrans-148.554.8174.772.60000114.1I522 N526I522-S524 VanDerWaalsContact C-N 3.25Å; I522-S524 PolarHBondContact O-N 3.1Å; I522-S524 VanDerWaalsContact O-N 3.08Å; S524-N526 PolarHBondContact O-N 3.49Å
525V40.9Very low44.7Very low114 Ų114122.3 Ų122.369%0.69164%0.644SS**  trans-82.196.4152.3-173.80000105.6V527V525-V527 HydrophobicContact CB-CG2 4.31Å; V525-V527 HydrophobicContact CG1-CG2 3.72Å; V525-V527 PolarHBondContact O-N 3.18Å
526N42.3Very low46.6Very low151 Ų151123.5 Ų123.581%0.80764%0.637SS**  trans-66.583.9167.6-91.8-8.3000107.4S524 T528S524-N526 PolarHBondContact O-N 3.49Å; N526-T528 PolarHBondContact O-N 3.01Å; N526-T528 VanDerWaalsContact O-N 3.07Å
527V39.5Very low48.4Very low65 Ų65121.3 Ų121.339%0.39463%0.626SS.*  trans-68.5103.5172.51790000106.7V525 W531 L532V525-V527 HydrophobicContact CB-CG2 4.31Å; V525-V527 HydrophobicContact CG1-CG2 3.72Å; V525-V527 PolarHBondContact O-N 3.18Å; V527-W531 HydrophobicContact CG1-CE3 3.73Å; V527-W531 HydrophobicContact CG1-CZ3 4.24Å; V527-L532 HydrophobicContact CG1-CD1 3.57Å; V527-L532 HydrophobicContact CG1-CD2 3.73Å; V527-L532 HydrophobicContact CG1-CG 3.3Å
528T50.6Low50.3Low80 Ų80116.6 Ų116.649%0.49161%0.614SS.*  trans-70.5145.4172.656.60000109N526 E530 W531 L532N526-T528 PolarHBondContact O-N 3.01Å; N526-T528 VanDerWaalsContact O-N 3.07Å; T528-E530 PolarHBondContact O-N 2.87Å; T528-W531 WeakPolarHBondContact O-CB 3.49Å; T528-W531 PolarHBondContact O-N 2.97Å; T528-W531 PolarHBondContact OG1-N 2.77Å; T528-L532 PolarHBondContact O-N 2.9Å
529N60.3Low51.6Low129 Ų129117.8 Ų117.869%0.6961%0.608SS**Hα-helixtrans-55.6-33.5176.9-74.6-22.1000111.9W531 L532 D533N529-W531 PolarHBondContact O-N 3.46Å; N529-L532 PolarHBondContact O-N 3.28Å; N529-D533 PolarHBondContact O-N 2.79Å
530E62.4Low53.2Low150 Ų150116.6 Ų116.670%0.70160%0.597SS**Hα-helixtrans-62.2-38.7174.2-72.2-178159.400113.3T528 D533 Q534T528-E530 PolarHBondContact O-N 2.87Å; E530-D533 PolarHBondContact O-N 2.86Å; E530-Q534 WeakPolarHBondContact O-CB 3.33Å; E530-Q534 WeakPolarHBondContact O-CG 3.12Å; E530-Q534 PolarHBondContact O-N 2.83Å
531W72.8Confident54.7Low134 Ų134118.3 Ų118.351%0.50859%0.593SS.*Hα-helixtrans-67.9-40.9176.5-176.390.6000111.3V527 T528 N529 Q534 Y535V527-W531 HydrophobicContact CG1-CE3 3.73Å; V527-W531 HydrophobicContact CG1-CZ3 4.24Å; T528-W531 WeakPolarHBondContact O-CB 3.49Å; T528-W531 PolarHBondContact O-N 2.97Å; T528-W531 PolarHBondContact OG1-N 2.77Å; N529-W531 PolarHBondContact O-N 3.46Å; W531-Q534 PolarHBondContact O-N 2.7Å; W531-Y535 HydrophobicContact CH2-CD2 4.03Å; W531-Y535 HydrophobicContact CH2-CG 4.13Å; W531-Y535 HydrophobicContact CZ2-CD2 4.24Å; W531-Y535 HydrophobicContact CZ3-CG 4.27Å; W531-Y535 VanDerWaalsContact O-CB 3.25Å; W531-Y535 WeakPolarHBondContact O-CB 3.22Å; W531-Y535 PolarHBondContact O-N 2.92Å
532L57.2Low56.1Low56 Ų56114.9 Ų114.929%0.29358%0.579SS.*Hα-helixtrans-61.5-47.2174.3-75.6166.1000111V527 T528 N529 Q534 Y535 F536V527-L532 HydrophobicContact CG1-CD1 3.57Å; V527-L532 HydrophobicContact CG1-CD2 3.73Å; V527-L532 HydrophobicContact CG1-CG 3.3Å; T528-L532 PolarHBondContact O-N 2.9Å; N529-L532 PolarHBondContact O-N 3.28Å; L532-Q534 VanDerWaalsContact C-N 3.33Å; L532-Q534 PolarHBondContact O-N 3.19Å; L532-Y535 PolarHBondContact O-N 2.76Å; L532-F536 HydrophobicContact CB-CD2 4.2Å; L532-F536 HydrophobicContact CB-CE2 4.26Å; L532-F536 HydrophobicContact CD2-CE2 3.92Å; L532-F536 WeakPolarHBondContact O-CB 3.23Å; L532-F536 WeakPolarHBondContact O-CD2 3.12Å; L532-F536 PolarHBondContact O-N 2.82Å
533D62.5Low56.8Low102 Ų102113 Ų11355%0.54557%0.568SS.*Hα-helixtrans-60.7-42.8178.8-80.5-17.7000111.4N529 E530 N537N529-D533 PolarHBondContact O-N 2.79Å; E530-D533 PolarHBondContact O-N 2.86Å; D533-N537 WeakPolarHBondContact O-CB 3.39Å; D533-N537 VanDerWaalsContact O-CG 3.24Å; D533-N537 PolarHBondContact O-N 2.98Å; D533-N537 PolarHBondContact O-ND2 2.91Å
534Q65.1Low57.5Low134 Ų134109.4 Ų109.463%0.62655%0.547SS*.Hα-helixtrans-65.2-45.5175-74.3-175.71.300112.2E530 W531 L532 N537 V538E530-Q534 WeakPolarHBondContact O-CB 3.33Å; E530-Q534 WeakPolarHBondContact O-CG 3.12Å; E530-Q534 PolarHBondContact O-N 2.83Å; W531-Q534 PolarHBondContact O-N 2.7Å; L532-Q534 VanDerWaalsContact C-N 3.33Å; L532-Q534 PolarHBondContact O-N 3.19Å; Q534-N537 PolarHBondContact O-N 2.83Å; Q534-V538 WeakPolarHBondContact O-CG2 3.38Å; Q534-V538 PolarHBondContact O-N 2.78Å
535Y65Low58.5Low98 Ų98107.4 Ų107.438%0.38453%0.534SS..Hα-helixtrans-60.8-47.7178.9178.2-96.3000111.7W531 L532 V538 R539W531-Y535 HydrophobicContact CH2-CD2 4.03Å; W531-Y535 HydrophobicContact CH2-CG 4.13Å; W531-Y535 HydrophobicContact CZ2-CD2 4.24Å; W531-Y535 HydrophobicContact CZ3-CG 4.27Å; W531-Y535 VanDerWaalsContact O-CB 3.25Å; W531-Y535 WeakPolarHBondContact O-CB 3.22Å; W531-Y535 PolarHBondContact O-N 2.92Å; L532-Y535 PolarHBondContact O-N 2.76Å; Y535-V538 PolarHBondContact O-N 3.33Å; Y535-R539 WeakPolarHBondContact O-CB 3.28Å; Y535-R539 PolarHBondContact O-N 2.86Å; Y535-R539 PolarHBondContact OH-NH1 2.71Å
536F66.7Low59.2Low126 Ų126108.2 Ų108.255%0.55353%0.53SS*.Hα-helixtrans-64.8-42.7176.9-78.5-63.7000111.5L532 V538 R539 L540L532-F536 HydrophobicContact CB-CD2 4.2Å; L532-F536 HydrophobicContact CB-CE2 4.26Å; L532-F536 HydrophobicContact CD2-CE2 3.92Å; L532-F536 WeakPolarHBondContact O-CB 3.23Å; L532-F536 WeakPolarHBondContact O-CD2 3.12Å; L532-F536 PolarHBondContact O-N 2.82Å; F536-V538 PolarHBondContact O-N 3.21Å; F536-R539 PolarHBondContact O-N 2.9Å; F536-L540 WeakPolarHBondContact O-CB 3.15Å; F536-L540 PolarHBondContact O-N 2.92Å
537N65.7Low59.7Low89 Ų89105.1 Ų105.148%0.47651%0.513SS..Hα-helixtrans-62.8-40.7178.1-82.1-50.7000112.7D533 Q534 R541D533-N537 WeakPolarHBondContact O-CB 3.39Å; D533-N537 VanDerWaalsContact O-CG 3.24Å; D533-N537 PolarHBondContact O-N 2.98Å; D533-N537 PolarHBondContact O-ND2 2.91Å; Q534-N537 PolarHBondContact O-N 2.83Å; N537-R541 WeakPolarHBondContact O-CB 3.42Å; N537-R541 WeakPolarHBondContact O-CG 3.28Å; N537-R541 PolarHBondContact O-N 3.02Å
538V67.8Low60.4Low98 Ų98106.4 Ų106.459%0.59452%0.517SS*.Hα-helixtrans-67-47.2176.3172.70000110.8Q534 Y535 F536 L540 R541 S542Q534-V538 WeakPolarHBondContact O-CG2 3.38Å; Q534-V538 PolarHBondContact O-N 2.78Å; Y535-V538 PolarHBondContact O-N 3.33Å; F536-V538 PolarHBondContact O-N 3.21Å; V538-L540 VanDerWaalsContact C-N 3.34Å; V538-L540 PolarHBondContact O-N 3.43Å; V538-R541 PolarHBondContact O-N 2.91Å; V538-S542 PolarHBondContact O-N 3.33Å
539R57.5Low60.3Low161 Ų161112 Ų11261%0.60853%0.53SS*.Hα-helixtrans-63.2-40.8179.5-160.6101.2-175.4-168.17.2111.7Y535 F536 S542 M543Y535-R539 WeakPolarHBondContact O-CB 3.28Å; Y535-R539 PolarHBondContact O-N 2.86Å; Y535-R539 PolarHBondContact OH-NH1 2.71Å; F536-R539 PolarHBondContact O-N 2.9Å; R539-S542 PolarHBondContact O-N 3.3Å; R539-M543 WeakPolarHBondContact O-CB 3.49Å; R539-M543 PolarHBondContact O-N 3.35Å
540L64.3Low60.6Low100 Ų100108.7 Ų108.752%0.52452%0.517SS..Hα-helixtrans-70-38.9179.6-160.6149.5000110.8F536 V538 M543 M544F536-L540 WeakPolarHBondContact O-CB 3.15Å; F536-L540 PolarHBondContact O-N 2.92Å; V538-L540 VanDerWaalsContact C-N 3.34Å; V538-L540 PolarHBondContact O-N 3.43Å; L540-M543 PolarHBondContact O-N 2.89Å; L540-M544 HydrophobicContact CD2-CG 3.9Å; L540-M544 VanDerWaalsContact O-CB 3.27Å; L540-M544 WeakPolarHBondContact O-CB 3.26Å; L540-M544 WeakPolarHBondContact O-CG 3.46Å; L540-M544 PolarHBondContact O-N 3.23Å
541R62.8Low60.3Low186 Ų186106 Ų10670%0.70250%0.504SS*.Hα-helixtrans-61.5-44.5169.8-80.4-177.5-172.3156.73.1112.3N537 V538 M544 S545N537-R541 WeakPolarHBondContact O-CB 3.42Å; N537-R541 WeakPolarHBondContact O-CG 3.28Å; N537-R541 PolarHBondContact O-N 3.02Å; V538-R541 PolarHBondContact O-N 2.91Å; R541-M544 PolarHBondContact O-N 2.8Å; R541-S545 PolarHBondContact O-N 3.1Å; R541-S545 PolarHBondContact O-OG 2.81Å
542S60.7Low59.5Low56 Ų56103 Ų10339%0.39250%0.498SS..Hα-helixtrans-61.7-45.7177.1-167.20000111.8V538 R539 S545 E546V538-S542 PolarHBondContact O-N 3.33Å; R539-S542 PolarHBondContact O-N 3.3Å; S542-S545 WeakPolarHBondContact CA-OG 3.48Å; S542-S545 PolarHBondContact O-N 3.27Å; S542-S545 PolarHBondContact O-OG 2.89Å; S542-E546 WeakPolarHBondContact O-CG 3.39Å; S542-E546 PolarHBondContact O-N 3.33Å
543M51.7Low59.8Low101 Ų101105.4 Ų105.450%0.49851%0.507SS..Hα-helixtrans-65.9-40.3177.8-167.4-17784.800111.4R539 L540 E546 L547R539-M543 WeakPolarHBondContact O-CB 3.49Å; R539-M543 PolarHBondContact O-N 3.35Å; L540-M543 PolarHBondContact O-N 2.89Å; M543-E546 PolarHBondContact O-N 3.03Å; M543-L547 HydrophobicContact CE-CD1 4.04Å; M543-L547 HydrophobicContact CG-CD1 4.07Å; M543-L547 VanDerWaalsContact O-CB 3.28Å; M543-L547 WeakPolarHBondContact O-CB 3.33Å; M543-L547 VanDerWaalsContact O-CG 3.3Å; M543-L547 WeakPolarHBondContact O-CG 3.27Å; M543-L547 PolarHBondContact O-N 2.62Å
544M54.2Low60Low72 Ų72104.7 Ų104.736%0.35550%0.503SS..Hα-helixtrans-66.9-35.8175-71.8-70.4-84.200111.8P194 L540 R541 N548P194-M544 HydrophobicContact CG-CE 4.4Å; L540-M544 HydrophobicContact CD2-CG 3.9Å; L540-M544 VanDerWaalsContact O-CB 3.27Å; L540-M544 WeakPolarHBondContact O-CB 3.26Å; L540-M544 WeakPolarHBondContact O-CG 3.46Å; L540-M544 PolarHBondContact O-N 3.23Å; R541-M544 PolarHBondContact O-N 2.8Å; M544-N548 VanDerWaalsContact O-CB 3.23Å; M544-N548 WeakPolarHBondContact O-CB 3.44Å; M544-N548 PolarHBondContact O-N 3.21Å
545S58Low60Low54 Ų54100.2 Ų100.238%0.37848%0.484SS..Hα-helixtrans-67.7-43.6173.156.30000111.7R541 S542 N548 W549R541-S545 PolarHBondContact O-N 3.1Å; R541-S545 PolarHBondContact O-OG 2.81Å; S542-S545 WeakPolarHBondContact CA-OG 3.48Å; S542-S545 PolarHBondContact O-N 3.27Å; S542-S545 PolarHBondContact O-OG 2.89Å; S545-N548 PolarHBondContact O-N 2.81Å; S545-W549 WeakPolarHBondContact O-CB 3.39Å; S545-W549 PolarHBondContact O-N 2.99Å
546E56.5Low60Low130 Ų130101.2 Ų101.261%0.60749%0.49SS*.Hα-helixtrans-63.2-43.4175.7-74.9173.8-164.700111.7S542 M543 W549 S550S542-E546 WeakPolarHBondContact O-CG 3.39Å; S542-E546 PolarHBondContact O-N 3.33Å; M543-E546 PolarHBondContact O-N 3.03Å; E546-W549 PolarHBondContact O-N 2.81Å; E546-S550 WeakPolarHBondContact O-CB 3.43Å; E546-S550 PolarHBondContact O-N 2.96Å
547L52.4Low59.8Low87 Ų87101.1 Ų101.146%0.45549%0.489SS..Hα-helixtrans-65.7-42.2175.8-77.2169.1000112.1M543 W549 S550 H551M543-L547 HydrophobicContact CE-CD1 4.04Å; M543-L547 HydrophobicContact CG-CD1 4.07Å; M543-L547 VanDerWaalsContact O-CB 3.28Å; M543-L547 WeakPolarHBondContact O-CB 3.33Å; M543-L547 VanDerWaalsContact O-CG 3.3Å; M543-L547 WeakPolarHBondContact O-CG 3.27Å; M543-L547 PolarHBondContact O-N 2.62Å; L547-W549 VanDerWaalsContact C-N 3.35Å; L547-S550 WeakPolarHBondContact CA-OG 3.35Å; L547-S550 PolarHBondContact O-N 2.88Å; L547-S550 PolarHBondContact O-OG 3.23Å; L547-H551 WeakPolarHBondContact O-CB 3.47Å; L547-H551 PolarHBondContact O-N 2.94Å
548N54.7Low60Low91 Ų91102.5 Ų102.549%0.48749%0.491SS..Hα-helixtrans-62.1-42.5174.5-87.6-2.7000111.5M544 S545 S550 H551 N552M544-N548 VanDerWaalsContact O-CB 3.23Å; M544-N548 WeakPolarHBondContact O-CB 3.44Å; M544-N548 PolarHBondContact O-N 3.21Å; S545-N548 PolarHBondContact O-N 2.81Å; N548-S550 VanDerWaalsContact C-N 3.33Å; N548-S550 PolarHBondContact O-N 3.31Å; N548-H551 PolarHBondContact O-N 3.46Å; N548-N552 WeakPolarHBondContact O-CB 3.34Å; N548-N552 PolarHBondContact O-N 3.01Å
549W48.6Very low59.6Low199 Ų19998.7 Ų98.775%0.75447%0.468SS*.Hα-helixtrans-61.5-43.6173.9-80.950.6000110.9S545 E546 L547 H551 N552 E553S545-W549 WeakPolarHBondContact O-CB 3.39Å; S545-W549 PolarHBondContact O-N 2.99Å; E546-W549 PolarHBondContact O-N 2.81Å; L547-W549 VanDerWaalsContact C-N 3.35Å; W549-H551 VanDerWaalsContact C-N 3.31Å; W549-H551 PolarHBondContact O-N 3.06Å; W549-N552 PolarHBondContact O-N 3.48Å; W549-E553 WeakPolarHBondContact O-CB 3.31Å; W549-E553 PolarHBondContact O-N 3.49Å
550S65.7Low60Low59 Ų5994.7 Ų94.741%0.41346%0.455SS..Hα-helixtrans-62.8-37.6175.982.60000112.2E546 L547 N548 L554E546-S550 WeakPolarHBondContact O-CB 3.43Å; E546-S550 PolarHBondContact O-N 2.96Å; L547-S550 WeakPolarHBondContact CA-OG 3.35Å; L547-S550 PolarHBondContact O-N 2.88Å; L547-S550 PolarHBondContact O-OG 3.23Å; N548-S550 VanDerWaalsContact C-N 3.33Å; N548-S550 PolarHBondContact O-N 3.31Å; S550-L554 WeakPolarHBondContact O-CB 3.43Å; S550-L554 PolarHBondContact O-N 3.3Å
551H55.7Low60Low92 Ų9294 Ų9443%0.42645%0.451SS..Hα-helixtrans-71-41.1178.7-168.675.8000111.2L547 N548 W549 L554 L555L547-H551 WeakPolarHBondContact O-CB 3.47Å; L547-H551 PolarHBondContact O-N 2.94Å; N548-H551 PolarHBondContact O-N 3.46Å; W549-H551 VanDerWaalsContact C-N 3.31Å; W549-H551 PolarHBondContact O-N 3.06Å; H551-L554 PolarHBondContact O-N 2.86Å; H551-L555 WeakPolarHBondContact NE2-CD1 3.39Å; H551-L555 WeakPolarHBondContact O-CB 3.41Å; H551-L555 PolarHBondContact O-N 2.96Å
552N55.9Low60Low73 Ų7388.4 Ų88.439%0.3943%0.433SS..Hα-helixtrans-66.3-40.6175.3-75-13.7000111.7N548 W549 L555 F556N548-N552 WeakPolarHBondContact O-CB 3.34Å; N548-N552 PolarHBondContact O-N 3.01Å; W549-N552 PolarHBondContact O-N 3.48Å; N552-L555 PolarHBondContact O-N 2.83Å; N552-F556 VanDerWaalsContact O-CB 3.3Å; N552-F556 WeakPolarHBondContact O-CB 3.49Å; N552-F556 PolarHBondContact O-N 2.92Å
553E65.1Low60.2Low105 Ų10592.2 Ų92.249%0.49144%0.439SS..Hα-helixtrans-67-39.2174.4-163.8-171.9155.100111.4W549 F556 K557W549-E553 WeakPolarHBondContact O-CB 3.31Å; W549-E553 PolarHBondContact O-N 3.49Å; E553-F556 WeakPolarHBondContact O-CB 3.37Å; E553-F556 PolarHBondContact O-N 2.86Å; E553-K557 WeakPolarHBondContact O-CB 3.27Å; E553-K557 WeakPolarHBondContact O-CG 3.29Å; E553-K557 PolarHBondContact O-N 2.96Å; E553-K557 WeakPolarHBondContact OE1-CE 3.19Å; E553-K557 IonicContact OE1-NZ 2.78Å; E553-K557 PolarHBondContact OE1-NZ 2.69Å
554L67Low60.7Low87 Ų8788.4 Ų88.446%0.45542%0.42SS..Hα-helixtrans-64.5-44.5173.8-167.8101.2000110.8S550 H551 F556 K557 F558S550-L554 WeakPolarHBondContact O-CB 3.43Å; S550-L554 PolarHBondContact O-N 3.3Å; H551-L554 PolarHBondContact O-N 2.86Å; L554-F556 VanDerWaalsContact C-N 3.33Å; L554-F556 PolarHBondContact O-N 2.92Å; L554-K557 PolarHBondContact O-N 3.28Å; L554-F558 HydrophobicContact CD1-CE2 4.16Å; L554-F558 HydrophobicContact CD2-CD2 3.92Å; L554-F558 HydrophobicContact CD2-CE2 3.46Å; L554-F558 VanDerWaalsContact CD2-CE2 3.46Å; L554-F558 HydrophobicContact CG-CD2 3.75Å; L554-F558 HydrophobicContact CG-CE2 3.49Å; L554-F558 VanDerWaalsContact CG-CE2 3.49Å; L554-F558 WeakPolarHBondContact O-CB 3.5Å; L554-F558 WeakPolarHBondContact O-CD2 3.41Å; L554-F558 PolarHBondContact O-N 2.96Å
555L64.5Low61.4Low41 Ų4188.1 Ų88.122%0.21542%0.422CS..Hα-helixtrans-58.9-47.7173.3-125.383.6000109.8W248 H551 N552 K557 F558 T559W248-L555 HydrophobicContact CZ2-CD2 4.26Å; H551-L555 WeakPolarHBondContact NE2-CD1 3.39Å; H551-L555 WeakPolarHBondContact O-CB 3.41Å; H551-L555 PolarHBondContact O-N 2.96Å; N552-L555 PolarHBondContact O-N 2.83Å; L555-K557 PolarHBondContact O-N 2.99Å; L555-F558 PolarHBondContact O-N 3.48Å; L555-T559 WeakPolarHBondContact O-CB 3.23Å; L555-T559 WeakPolarHBondContact O-CG2 3.03Å; L555-T559 PolarHBondContact O-N 2.88Å; L555-T559 PolarHBondContact O-OG1 3.4Å
556F65.5Low61.8Low118 Ų11889.2 Ų89.252%0.51842%0.424SS..Hα-helixtrans-57.6-48.3177.1178.1-99.6000111.5N552 E553 L554 T559 K560N552-F556 VanDerWaalsContact O-CB 3.3Å; N552-F556 WeakPolarHBondContact O-CB 3.49Å; N552-F556 PolarHBondContact O-N 2.92Å; E553-F556 WeakPolarHBondContact O-CB 3.37Å; E553-F556 PolarHBondContact O-N 2.86Å; L554-F556 VanDerWaalsContact C-N 3.33Å; L554-F556 PolarHBondContact O-N 2.92Å; F556-T559 WeakPolarHBondContact CA-OG1 3.38Å; F556-T559 PolarHBondContact O-N 2.9Å; F556-T559 VanDerWaalsContact O-N 3.15Å; F556-T559 PolarHBondContact O-OG1 3.41Å; F556-K560 PolarHBondContact O-N 2.92Å
557K62Low62.4Low124 Ų12487.1 Ų87.154%0.53941%0.414SS..Hα-helixtrans-62.4-44176.3-75.1177.4-175.3165.90112.3E553 L554 L555 T559 K560 L561E553-K557 WeakPolarHBondContact O-CB 3.27Å; E553-K557 WeakPolarHBondContact O-CG 3.29Å; E553-K557 PolarHBondContact O-N 2.96Å; E553-K557 WeakPolarHBondContact OE1-CE 3.19Å; E553-K557 IonicContact OE1-NZ 2.78Å; E553-K557 PolarHBondContact OE1-NZ 2.69Å; L554-K557 PolarHBondContact O-N 3.28Å; L555-K557 PolarHBondContact O-N 2.99Å; K557-T559 VanDerWaalsContact C-N 3.26Å; K557-T559 PolarHBondContact O-N 2.95Å; K557-K560 PolarHBondContact O-N 2.75Å; K557-L561 WeakPolarHBondContact O-CB 2.86Å; K557-L561 PolarHBondContact O-N 2.8Å
558F68.7Low62.9Low118 Ų11887.1 Ų87.152%0.51841%0.413SS..Hα-helixtrans-61.2-36.9174.2-83-56.5000111.8L554 L555 L561 E562L554-F558 HydrophobicContact CD1-CE2 4.16Å; L554-F558 HydrophobicContact CD2-CD2 3.92Å; L554-F558 HydrophobicContact CD2-CE2 3.46Å; L554-F558 VanDerWaalsContact CD2-CE2 3.46Å; L554-F558 HydrophobicContact CG-CD2 3.75Å; L554-F558 HydrophobicContact CG-CE2 3.49Å; L554-F558 VanDerWaalsContact CG-CE2 3.49Å; L554-F558 WeakPolarHBondContact O-CB 3.5Å; L554-F558 WeakPolarHBondContact O-CD2 3.41Å; L554-F558 PolarHBondContact O-N 2.96Å; L555-F558 PolarHBondContact O-N 3.48Å; F558-L561 HydrophobicContact CD1-CD2 4.49Å; F558-L561 PolarHBondContact O-N 3.32Å; F558-E562 WeakPolarHBondContact O-CB 3.25Å; F558-E562 PolarHBondContact O-N 3.08Å
559T61.1Low63.6Low18 Ų1885.8 Ų85.811%0.1141%0.41CS..Hα-helixtrans-72.2-35.9179.665.50000112.1W248 L555 F556 K557 W563W248-T559 HydrophobicContact CZ2-CG2 4.48Å; L555-T559 WeakPolarHBondContact O-CB 3.23Å; L555-T559 WeakPolarHBondContact O-CG2 3.03Å; L555-T559 PolarHBondContact O-N 2.88Å; L555-T559 PolarHBondContact O-OG1 3.4Å; F556-T559 WeakPolarHBondContact CA-OG1 3.38Å; F556-T559 PolarHBondContact O-N 2.9Å; F556-T559 VanDerWaalsContact O-N 3.15Å; F556-T559 PolarHBondContact O-OG1 3.41Å; K557-T559 VanDerWaalsContact C-N 3.26Å; K557-T559 PolarHBondContact O-N 2.95Å; T559-W563 WeakPolarHBondContact O-CB 3.48Å; T559-W563 PolarHBondContact O-N 2.96Å
560K65Low64.7Low78 Ų7881 Ų8134%0.33940%0.396SS..Hα-helixtrans-64.4-40.5170.4-168.1-178.3-178.5-173.50111.2E451 F556 K557 K564E451-K560 PolarHBondContact O-NZ 3.25Å; F556-K560 PolarHBondContact O-N 2.92Å; K557-K560 PolarHBondContact O-N 2.75Å; K560-K564 WeakPolarHBondContact O-CG 3.38Å; K560-K564 PolarHBondContact O-N 2.75Å; K560-K564 VanDerWaalsContact O-N 3.1Å
561L64.1Low65.2Low84 Ų8484.2 Ų84.244%0.4440%0.404SS..Hα-helixtrans-65.3-47.2176.4-177.368.1000111.5K557 F558 K564 V565K557-L561 WeakPolarHBondContact O-CB 2.86Å; K557-L561 PolarHBondContact O-N 2.8Å; F558-L561 HydrophobicContact CD1-CD2 4.49Å; F558-L561 PolarHBondContact O-N 3.32Å; L561-K564 WeakPolarHBondContact O-CB 3.48Å; L561-K564 PolarHBondContact O-N 2.96Å; L561-V565 WeakPolarHBondContact O-CG2 3.41Å; L561-V565 PolarHBondContact O-N 2.75Å
562E63.9Low66Low69 Ų6986.4 Ų86.432%0.32241%0.413SS..Hα-helixtrans-63.5-43.5179.5-166.3177.5154.900111.3R173 F558 K564 V565 D566R173-E562 IonicContact CZ-OE1 2.7Å; R173-E562 IonicContact CZ-OE2 3.54Å; R173-E562 IonicContact NH2-OE1 3.47Å; R173-E562 PolarHBondContact NH2-OE1 2.69Å; R173-E562 IonicContact NH2-OE2 2.6Å; R173-E562 PolarHBondContact NH2-OE2 3.31Å; F558-E562 WeakPolarHBondContact O-CB 3.25Å; F558-E562 PolarHBondContact O-N 3.08Å; E562-K564 VanDerWaalsContact C-N 3.31Å; E562-K564 PolarHBondContact O-N 2.85Å; E562-V565 CarbonylContact O-C 3.53Å; E562-V565 WeakPolarHBondContact O-CA 3.25Å; E562-V565 WeakPolarHBondContact O-CB 3.49Å; E562-V565 PolarHBondContact O-N 3.11Å; E562-D566 PolarHBondContact O-N 2.83Å
563W64.3Low67Low136 Ų13689.4 Ų89.452%0.51542%0.419SS..Hα-helixtrans-59.2-40.9173.7177.779.4000112.5T559 D566 Q567T559-W563 WeakPolarHBondContact O-CB 3.48Å; T559-W563 PolarHBondContact O-N 2.96Å; W563-D566 PolarHBondContact O-N 3.2Å; W563-Q567 HydrophobicContact CD2-CG 4.42Å; W563-Q567 VanDerWaalsContact CH2-NE2 3.3Å; W563-Q567 HydrophobicContact CZ2-CG 4.23Å; W563-Q567 WeakPolarHBondContact O-CG 3.27Å; W563-Q567 PolarHBondContact O-N 2.86Å
564K61.1Low67.6Low21 Ų2188.1 Ų88.19%0.09142%0.415CS..Hα-helixtrans-64.6-38.9173.6-74.4-78.2-170.81790111.6L448 E451 F452 K560 L561 E562 Q567 M568L448-K564 HydrophobicContact CD2-CD 3.92Å; E451-K564 IonicContact OE2-NZ 2.78Å; E451-K564 PolarHBondContact OE2-NZ 3.1Å; F452-K564 HydrophobicContact CZ-CG 4.4Å; K560-K564 WeakPolarHBondContact O-CG 3.38Å; K560-K564 PolarHBondContact O-N 2.75Å; K560-K564 VanDerWaalsContact O-N 3.1Å; L561-K564 WeakPolarHBondContact O-CB 3.48Å; L561-K564 PolarHBondContact O-N 2.96Å; E562-K564 VanDerWaalsContact C-N 3.31Å; E562-K564 PolarHBondContact O-N 2.85Å; K564-Q567 PolarHBondContact O-N 3.1Å; K564-M568 WeakPolarHBondContact O-CG 3.38Å; K564-M568 PolarHBondContact O-N 3.3Å
565V69Low68.1Low67 Ų6787.2 Ų87.241%0.40641%0.413SS..Hα-helixtrans-65.8-41175.4171.30000111.1L561 E562 M568 C569L561-V565 WeakPolarHBondContact O-CG2 3.41Å; L561-V565 PolarHBondContact O-N 2.75Å; E562-V565 CarbonylContact O-C 3.53Å; E562-V565 WeakPolarHBondContact O-CA 3.25Å; E562-V565 WeakPolarHBondContact O-CB 3.49Å; E562-V565 PolarHBondContact O-N 3.11Å; V565-M568 WeakPolarHBondContact O-CB 3.37Å; V565-M568 PolarHBondContact O-N 3.42Å; V565-C569 WeakPolarHBondContact O-CB 3.31Å; V565-C569 PolarHBondContact O-N 3.33Å; V565-C569 PolarHBondContact O-SG 2.99Å
566D67.9Low68.8Low77 Ų7787.9 Ų87.941%0.41242%0.417SS..Hα-helixtrans-62.7-44.1174.9-75.1-23.6000110.8E562 W563 M568 C569 E570E562-D566 PolarHBondContact O-N 2.83Å; W563-D566 PolarHBondContact O-N 3.2Å; D566-M568 PolarHBondContact O-N 3.31Å; D566-C569 WeakPolarHBondContact O-CB 3.47Å; D566-C569 PolarHBondContact O-N 3.1Å; D566-E570 PolarHBondContact O-N 2.85Å
567Q68.2Low69.5Low86 Ų8686 Ų8640%0.40241%0.414SS..Hα-helixtrans-59.5-44172-75.8-157.3-26.300112.3W563 K564 C569 E570 E571W563-Q567 HydrophobicContact CD2-CG 4.42Å; W563-Q567 VanDerWaalsContact CH2-NE2 3.3Å; W563-Q567 HydrophobicContact CZ2-CG 4.23Å; W563-Q567 WeakPolarHBondContact O-CG 3.27Å; W563-Q567 PolarHBondContact O-N 2.86Å; K564-Q567 PolarHBondContact O-N 3.1Å; Q567-C569 VanDerWaalsContact C-N 3.3Å; Q567-C569 PolarHBondContact O-N 3.06Å; Q567-E570 WeakPolarHBondContact O-CB 3.38Å; Q567-E570 PolarHBondContact O-N 2.83Å; Q567-E571 WeakPolarHBondContact O-CG 3.47Å; Q567-E571 PolarHBondContact O-N 2.88Å
568M64Low70.5Confident87 Ų8785.4 Ų85.443%0.42941%0.414SS..Hα-helixtrans-60.1-40.8174.9-75.8174.85400111.9W445 K564 V565 D566 F572W445-M568 HydrophobicContact CH2-CE 3.73Å; W445-M568 HydrophobicContact CH2-CG 4.32Å; W445-M568 HydrophobicContact CH2-SD 4.29Å; W445-M568 HydrophobicContact CZ3-CE 3.65Å; W445-M568 HydrophobicContact CZ3-CG 4.19Å; W445-M568 HydrophobicContact CZ3-SD 3.79Å; K564-M568 WeakPolarHBondContact O-CG 3.38Å; K564-M568 PolarHBondContact O-N 3.3Å; V565-M568 WeakPolarHBondContact O-CB 3.37Å; V565-M568 PolarHBondContact O-N 3.42Å; D566-M568 PolarHBondContact O-N 3.31Å; M568-F572 VanDerWaalsContact O-CB 3.28Å; M568-F572 WeakPolarHBondContact O-CB 3.43Å; M568-F572 PolarHBondContact O-N 3.27Å
569C69.3Low71Confident63 Ų6384.8 Ų84.843%0.42641%0.414SS..Hα-helixtrans-65.4-39.1176.7-73.10000112V565 D566 Q567 F572 R573V565-C569 WeakPolarHBondContact O-CB 3.31Å; V565-C569 PolarHBondContact O-N 3.33Å; V565-C569 PolarHBondContact O-SG 2.99Å; D566-C569 WeakPolarHBondContact O-CB 3.47Å; D566-C569 PolarHBondContact O-N 3.1Å; Q567-C569 VanDerWaalsContact C-N 3.3Å; Q567-C569 PolarHBondContact O-N 3.06Å; C569-F572 PolarHBondContact O-N 2.83Å; C569-R573 WeakPolarHBondContact O-CB 3.41Å; C569-R573 PolarHBondContact O-N 3.16Å
570E71.9Confident72Confident98 Ų9890.4 Ų90.446%0.45844%0.437SS..Hα-helixtrans-63.8-48.5176.2-156.174.7-165.600110.9D566 Q567 F572 R573 N574D566-E570 PolarHBondContact O-N 2.85Å; Q567-E570 WeakPolarHBondContact O-CB 3.38Å; Q567-E570 PolarHBondContact O-N 2.83Å; E570-F572 PolarHBondContact O-N 3.43Å; E570-R573 WeakPolarHBondContact O-CB 3.41Å; E570-R573 PolarHBondContact O-N 2.81Å; E570-R573 IonicContact OE1-NH1 3.69Å; E570-R573 PolarHBondContact OE1-NH1 2.71Å; E570-R573 IonicContact OE2-CZ 3.4Å; E570-R573 IonicContact OE2-NH1 3.19Å; E570-R573 PolarHBondContact OE2-NH1 2.85Å; E570-N574 VanDerWaalsContact O-CG 3.31Å; E570-N574 PolarHBondContact O-N 3Å; E570-N574 PolarHBondContact O-ND2 2.91Å
571E74.7Confident72.9Confident126 Ų12692.1 Ų92.159%0.58945%0.446SS*.Hα-helixtrans-59.8-45174.8-72.3-61.9146.900111.6Q567 R573 N574 V575Q567-E571 WeakPolarHBondContact O-CG 3.47Å; Q567-E571 PolarHBondContact O-N 2.88Å; E571-R573 VanDerWaalsContact C-N 3.32Å; E571-R573 PolarHBondContact O-N 3.21Å; E571-N574 WeakPolarHBondContact O-CB 3.21Å; E571-N574 PolarHBondContact O-N 3.29Å; E571-V575 WeakPolarHBondContact O-CG2 3.3Å; E571-V575 PolarHBondContact O-N 3.43Å
572F73.7Confident73.9Confident139 Ų13992.6 Ų92.661%0.6145%0.446SS*.Hα-helixtrans-64.1-38.2177.4-166.4-107.1000112.1M568 C569 E570 V575 I576M568-F572 VanDerWaalsContact O-CB 3.28Å; M568-F572 WeakPolarHBondContact O-CB 3.43Å; M568-F572 PolarHBondContact O-N 3.27Å; C569-F572 PolarHBondContact O-N 2.83Å; E570-F572 PolarHBondContact O-N 3.43Å; F572-V575 PolarHBondContact O-N 3.07Å; F572-I576 HydrophobicContact CD1-CD1 3.56Å; F572-I576 HydrophobicContact CD1-CG1 4.34Å; F572-I576 HydrophobicContact CE1-CD1 3.3Å; F572-I576 HydrophobicContact CE1-CG1 4.18Å; F572-I576 HydrophobicContact CG-CD1 4.49Å; F572-I576 HydrophobicContact CZ-CD1 4.03Å; F572-I576 WeakPolarHBondContact O-CG1 3.32Å; F572-I576 PolarHBondContact O-N 3.39Å
573R75.2Confident74.9Confident135 Ų13593.2 Ų93.251%0.50945%0.451SS..Hα-helixtrans-62.4-45173.9-169.1-174-64.4130.33.8110.4C569 E570 E571 I576 T577C569-R573 WeakPolarHBondContact O-CB 3.41Å; C569-R573 PolarHBondContact O-N 3.16Å; E570-R573 WeakPolarHBondContact O-CB 3.41Å; E570-R573 PolarHBondContact O-N 2.81Å; E570-R573 IonicContact OE1-NH1 3.69Å; E570-R573 PolarHBondContact OE1-NH1 2.71Å; E570-R573 IonicContact OE2-CZ 3.4Å; E570-R573 IonicContact OE2-NH1 3.19Å; E570-R573 PolarHBondContact OE2-NH1 2.85Å; E571-R573 VanDerWaalsContact C-N 3.32Å; E571-R573 PolarHBondContact O-N 3.21Å; R573-I576 PolarHBondContact O-N 3.03Å; R573-T577 WeakPolarHBondContact O-CG2 3.37Å; R573-T577 PolarHBondContact O-N 2.76Å; R573-T577 PolarHBondContact O-OG1 3.4Å
574N78.1Confident76Confident78 Ų7891.4 Ų91.442%0.41745%0.451SS..Hα-helixtrans-59.8-47.4176.9-70.2-20.1000111.4E570 E571 I576 T577 Q578E570-N574 VanDerWaalsContact O-CG 3.31Å; E570-N574 PolarHBondContact O-N 3Å; E570-N574 PolarHBondContact O-ND2 2.91Å; E571-N574 WeakPolarHBondContact O-CB 3.21Å; E571-N574 PolarHBondContact O-N 3.29Å; N574-I576 PolarHBondContact O-N 3.22Å; N574-T577 WeakPolarHBondContact CA-OG1 3.22Å; N574-T577 PolarHBondContact O-N 3.16Å; N574-T577 VanDerWaalsContact O-N 3.13Å; N574-T577 PolarHBondContact O-OG1 3.5Å; N574-Q578 PolarHBondContact O-N 3.2Å
575V78.4Confident77.2Confident69 Ų6995 Ų9542%0.41847%0.471SS..Hα-helixtrans-59.1-44.8175.5173.60000111.3E571 F572 T577 Q578 M579E571-V575 WeakPolarHBondContact O-CG2 3.3Å; E571-V575 PolarHBondContact O-N 3.43Å; F572-V575 PolarHBondContact O-N 3.07Å; V575-T577 VanDerWaalsContact C-N 3.34Å; V575-T577 PolarHBondContact O-N 3.06Å; V575-Q578 PolarHBondContact O-N 3.19Å; V575-M579 HydrophobicContact CG1-CG 4.44Å; V575-M579 WeakPolarHBondContact O-CG 3.13Å; V575-M579 PolarHBondContact O-N 3.18Å
576I78.5Confident77.9Confident55 Ų5597.1 Ų97.128%0.28248%0.48SS..Hα-helixtrans-61.3-41.9175.7-72.7172.6000111.6F572 R573 N574 M579 K580F572-I576 HydrophobicContact CD1-CD1 3.56Å; F572-I576 HydrophobicContact CD1-CG1 4.34Å; F572-I576 HydrophobicContact CE1-CD1 3.3Å; F572-I576 HydrophobicContact CE1-CG1 4.18Å; F572-I576 HydrophobicContact CG-CD1 4.49Å; F572-I576 HydrophobicContact CZ-CD1 4.03Å; F572-I576 WeakPolarHBondContact O-CG1 3.32Å; F572-I576 PolarHBondContact O-N 3.39Å; R573-I576 PolarHBondContact O-N 3.03Å; N574-I576 PolarHBondContact O-N 3.22Å; I576-M579 HydrophobicContact CG1-CE 4Å; I576-M579 PolarHBondContact O-N 3.48Å; I576-K580 HydrophobicContact CG2-CD 4.37Å; I576-K580 WeakPolarHBondContact O-CB 3.29Å; I576-K580 WeakPolarHBondContact O-CG 3.41Å; I576-K580 PolarHBondContact O-N 3.28Å
577T80.5Confident78.7Confident77 Ų77101 Ų10147%0.47249%0.489SS..Hα-helixtrans-65.7-39.9178.356.90000112.1R573 N574 V575 K580 H581R573-T577 WeakPolarHBondContact O-CG2 3.37Å; R573-T577 PolarHBondContact O-N 2.76Å; R573-T577 PolarHBondContact O-OG1 3.4Å; N574-T577 WeakPolarHBondContact CA-OG1 3.22Å; N574-T577 PolarHBondContact O-N 3.16Å; N574-T577 VanDerWaalsContact O-N 3.13Å; N574-T577 PolarHBondContact O-OG1 3.5Å; V575-T577 VanDerWaalsContact C-N 3.34Å; V575-T577 PolarHBondContact O-N 3.06Å; T577-K580 PolarHBondContact O-N 3.48Å; T577-H581 PolarHBondContact O-N 2.53Å
578Q82.6Confident79.4Confident113 Ų113103 Ų10353%0.52850%0.496SS..Hα-helixtrans-64.1-47.7174.5-176.4-179.9-1200111.1N574 V575 K580 H581 E582N574-Q578 PolarHBondContact O-N 3.2Å; V575-Q578 PolarHBondContact O-N 3.19Å; Q578-K580 VanDerWaalsContact C-N 3.27Å; Q578-K580 PolarHBondContact O-N 2.88Å; Q578-H581 WeakPolarHBondContact O-CA 3.4Å; Q578-H581 WeakPolarHBondContact O-CB 2.96Å; Q578-H581 PolarHBondContact O-N 3.12Å; Q578-E582 PolarHBondContact NE2-OE1 2.85Å; Q578-E582 WeakPolarHBondContact O-CG 3.25Å; Q578-E582 PolarHBondContact O-N 3.27Å
579M79.1Confident80.4Confident104 Ų104101.1 Ų101.151%0.51249%0.494SS..Hα-helixtrans-58.2-39.8175.6-74-166.4-54.400112V575 I576 N583V575-M579 HydrophobicContact CG1-CG 4.44Å; V575-M579 WeakPolarHBondContact O-CG 3.13Å; V575-M579 PolarHBondContact O-N 3.18Å; I576-M579 HydrophobicContact CG1-CE 4Å; I576-M579 PolarHBondContact O-N 3.48Å; M579-N583 VanDerWaalsContact O-CB 3.26Å; M579-N583 WeakPolarHBondContact O-CB 3.37Å; M579-N583 PolarHBondContact O-N 2.99Å
580K82.1Confident81Confident136 Ų136103.9 Ų103.959%0.59150%0.504SS*.Hα-helixtrans-63.9-41.8174-78.7-179.4178.5179.70111.8I576 T577 Q578 N583 N584I576-K580 HydrophobicContact CG2-CD 4.37Å; I576-K580 WeakPolarHBondContact O-CB 3.29Å; I576-K580 WeakPolarHBondContact O-CG 3.41Å; I576-K580 PolarHBondContact O-N 3.28Å; T577-K580 PolarHBondContact O-N 3.48Å; Q578-K580 VanDerWaalsContact C-N 3.27Å; Q578-K580 PolarHBondContact O-N 2.88Å; K580-N583 PolarHBondContact O-N 2.89Å; K580-N584 WeakPolarHBondContact O-CB 3.17Å; K580-N584 VanDerWaalsContact O-CG 3.22Å; K580-N584 PolarHBondContact O-N 2.83Å; K580-N584 PolarHBondContact O-ND2 3.24Å
581H84.5Confident81.5Confident115 Ų115104.2 Ų104.253%0.53251%0.509SS..Hα-helixtrans-62.6-48176.6-17571.7000111.5T577 Q578 N583 N584 L585T577-H581 PolarHBondContact O-N 2.53Å; Q578-H581 WeakPolarHBondContact O-CA 3.4Å; Q578-H581 WeakPolarHBondContact O-CB 2.96Å; Q578-H581 PolarHBondContact O-N 3.12Å; H581-N583 PolarHBondContact O-N 3.18Å; H581-N584 WeakPolarHBondContact O-CB 3.45Å; H581-N584 PolarHBondContact O-N 3.24Å; H581-L585 WeakPolarHBondContact O-CG 3.23Å; H581-L585 PolarHBondContact O-N 3.45Å
582E85.3Confident81.6Confident94 Ų94103.1 Ų103.144%0.43950%0.504SS..Hα-helixtrans-60.5-42.4175.8-71.1175.7-170.500111.9Q578 N584 L585 L586Q578-E582 PolarHBondContact NE2-OE1 2.85Å; Q578-E582 WeakPolarHBondContact O-CG 3.25Å; Q578-E582 PolarHBondContact O-N 3.27Å; E582-N584 VanDerWaalsContact C-N 3.34Å; E582-N584 PolarHBondContact O-N 3.49Å; E582-L585 PolarHBondContact O-N 3.18Å; E582-L586 WeakPolarHBondContact O-CG 3.36Å; E582-L586 PolarHBondContact O-N 3.2Å
583N85.3Confident81.5Confident82 Ų82106.3 Ų106.344%0.43951%0.512SS..Hα-helixtrans-63.9-38.6176-158.3-44.2000111.7M579 K580 H581 L586 R587M579-N583 VanDerWaalsContact O-CB 3.26Å; M579-N583 WeakPolarHBondContact O-CB 3.37Å; M579-N583 PolarHBondContact O-N 2.99Å; K580-N583 PolarHBondContact O-N 2.89Å; H581-N583 PolarHBondContact O-N 3.18Å; N583-L586 PolarHBondContact O-N 3.4Å; N583-R587 VanDerWaalsContact O-CG 3.31Å; N583-R587 WeakPolarHBondContact O-CG 3.27Å; N583-R587 PolarHBondContact O-N 3.44Å; N583-R587 PolarHBondContact OD1-NE 3.09Å
584N86.4Confident80.9Confident97 Ų97104 Ų10452%0.51952%0.517SS..Hα-helixtrans-66-40.5174.4-73.1-20000112.3K580 H581 E582 R587 F588K580-N584 WeakPolarHBondContact O-CB 3.17Å; K580-N584 VanDerWaalsContact O-CG 3.22Å; K580-N584 PolarHBondContact O-N 2.83Å; K580-N584 PolarHBondContact O-ND2 3.24Å; H581-N584 WeakPolarHBondContact O-CB 3.45Å; H581-N584 PolarHBondContact O-N 3.24Å; E582-N584 VanDerWaalsContact C-N 3.34Å; E582-N584 PolarHBondContact O-N 3.49Å; N584-R587 PolarHBondContact O-N 2.89Å; N584-F588 PolarHBondContact O-N 3.05Å
585L87.4Confident79.8Confident96 Ų96108.4 Ų108.450%0.50354%0.535SS..Hα-helixtrans-63.4-42.3174.1-70.6176.2000111.7H581 E582 F588 A589H581-L585 WeakPolarHBondContact O-CG 3.23Å; H581-L585 PolarHBondContact O-N 3.45Å; E582-L585 PolarHBondContact O-N 3.18Å; L585-F588 PolarHBondContact O-N 2.86Å; L585-A589 PolarHBondContact O-N 2.7Å
586L83.7Confident78.4Confident113 Ų113116.8 Ų116.859%0.59257%0.566SS**Hα-helixtrans-62.1-42.9175-74.3170.8000111.8E582 N583 F588 A589 L590E582-L586 WeakPolarHBondContact O-CG 3.36Å; E582-L586 PolarHBondContact O-N 3.2Å; N583-L586 PolarHBondContact O-N 3.4Å; L586-F588 VanDerWaalsContact C-N 3.32Å; L586-F588 PolarHBondContact O-N 3.23Å; L586-A589 PolarHBondContact O-N 3.32Å; L586-L590 WeakPolarHBondContact O-CB 3.34Å; L586-L590 PolarHBondContact O-N 3.45Å
587R84Confident78.4Confident159 Ų159119.9 Ų119.960%0.658%0.58SS**Hα-helixtrans-60.6-41.3173.8-74.2175-178.5-149.7-4.2111.9N583 N584 L590 N591N583-R587 VanDerWaalsContact O-CG 3.31Å; N583-R587 WeakPolarHBondContact O-CG 3.27Å; N583-R587 PolarHBondContact O-N 3.44Å; N583-R587 PolarHBondContact OD1-NE 3.09Å; N584-R587 PolarHBondContact O-N 2.89Å; R587-L590 PolarHBondContact O-N 2.8Å; R587-N591 VanDerWaalsContact O-CG 3.27Å; R587-N591 PolarHBondContact O-N 3.35Å
588F83.5Confident78.2Confident127 Ų127122.1 Ų122.156%0.55759%0.586SS**Hα-helixtrans-65.1-43.9176.9-172.3-103.1000112N584 L585 L586 L590 N591 Q592N584-F588 PolarHBondContact O-N 3.05Å; L585-F588 PolarHBondContact O-N 2.86Å; L586-F588 VanDerWaalsContact C-N 3.32Å; L586-F588 PolarHBondContact O-N 3.23Å; F588-L590 PolarHBondContact O-N 3.24Å; F588-N591 PolarHBondContact O-N 3.5Å; F588-Q592 HydrophobicContact CE1-CG 4.34Å; F588-Q592 PolarHBondContact O-N 2.51Å
589A84Confident78Confident47 Ų47122.6 Ų122.639%0.38859%0.589SS.*Hα-helixtrans-63.9-38175.800000112.9L585 L586 Q592 R593L585-A589 PolarHBondContact O-N 2.7Å; L586-A589 PolarHBondContact O-N 3.32Å; A589-Q592 PolarHBondContact O-N 2.94Å; A589-R593 PolarHBondContact O-N 3.35Å; A589-R593 VanDerWaalsContact O-N 3.15Å
590L81.6Confident77.9Confident121 Ų121123.7 Ų123.763%0.63459%0.594SS**Hα-helixtrans-62.7-44.9173-99.3150.5000111.7L586 R587 F588 Q592 R593 S594L586-L590 WeakPolarHBondContact O-CB 3.34Å; L586-L590 PolarHBondContact O-N 3.45Å; R587-L590 PolarHBondContact O-N 2.8Å; F588-L590 PolarHBondContact O-N 3.24Å; L590-Q592 VanDerWaalsContact C-N 3.32Å; L590-Q592 PolarHBondContact O-N 3.28Å; L590-R593 PolarHBondContact O-N 3.09Å; L590-S594 PolarHBondContact O-N 3.28Å; L590-S594 VanDerWaalsContact O-N 3.17Å
591N82.7Confident77.7Confident105 Ų105122.9 Ų122.956%0.56159%0.594SS**Hα-helixtrans-65-34.4178.2-72.2-12.7000112.6R587 F588 S594R587-N591 VanDerWaalsContact O-CG 3.27Å; R587-N591 PolarHBondContact O-N 3.35Å; F588-N591 PolarHBondContact O-N 3.5Å; N591-S594 PolarHBondContact O-N 2.82Å; N591-S594 PolarHBondContact O-OG 2.88Å
592Q77.8Confident77.2Confident104 Ų104123.5 Ų123.549%0.48660%0.598SS.*Hα-helixtrans-67.7-36.4173.3-73.1-169.4-5.100112.6F588 A589 L590 S594 Q595F588-Q592 HydrophobicContact CE1-CG 4.34Å; F588-Q592 PolarHBondContact O-N 2.51Å; A589-Q592 PolarHBondContact O-N 2.94Å; L590-Q592 VanDerWaalsContact C-N 3.32Å; L590-Q592 PolarHBondContact O-N 3.28Å; Q592-S594 VanDerWaalsContact C-N 3.34Å; Q592-Q595 PolarHBondContact O-N 2.97Å
593R70.3Confident76.6Confident205 Ų205125.6 Ų125.677%0.77461%0.609SS**Hα-helixtrans-69.8-28.9177.1-78.7-173.2178.2-178.30.3113.4A589 L590 Q595 F596A589-R593 PolarHBondContact O-N 3.35Å; A589-R593 VanDerWaalsContact O-N 3.15Å; L590-R593 PolarHBondContact O-N 3.09Å; R593-Q595 PolarHBondContact O-N 2.97Å; R593-F596 PolarHBondContact O-N 3.11Å
594S63.1Low76Confident87 Ų87128.9 Ų128.961%0.60862%0.622SS**THydrogen-bonded Turntrans-72.4-4.3175.753.60000114.8L590 N591 Q592L590-S594 PolarHBondContact O-N 3.28Å; L590-S594 VanDerWaalsContact O-N 3.17Å; N591-S594 PolarHBondContact O-N 2.82Å; N591-S594 PolarHBondContact O-OG 2.88Å; Q592-S594 VanDerWaalsContact C-N 3.34Å
595Q54.9Low75.1Confident171 Ų171131.6 Ų131.680%0.79963%0.631SS**THydrogen-bonded Turntrans-98.4-1.4175.2-69.7-174.7-13.700113.8Q592 R593Q592-Q595 PolarHBondContact O-N 2.97Å; R593-Q595 PolarHBondContact O-N 2.97Å
596F48.5Very low74Confident244 Ų244134.8 Ų134.8100%1.0764%0.643SS**  trans-104.20165.9-68.2-83.5000109.2R593R593-F596 PolarHBondContact O-N 3.11Å

Retrieved 596 of 596 residues in 234.9 ms (Link to these results)

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