A0A096N866_PAPAN Loading...

Kelch domain-containing protein 8B

Involved in pinching off the separated nuclei at the cleavage furrow and in cytokinesis. Required for mitotic integrity and maintenance of chromosomal stability. Protects cells against mitotic errors, centrosomal amplification, micronucleus formation and aneuploidy. Plays a key role of midbody function involving abscission of the daughter cells during cytokinesis and appropriate chromosomal and nuclear segregation into the daughter cells.

AlphaFold DB , UniProt , Accession A0A096N866, Species PAPAN (Papio anubis, Olive baboon), Gene KLHDC8B, Length 354 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
1M38.1Very low66.6Low245 Ų24585.8 Ų85.8100%1.20756%0.564SS**  090.50-69.3-170.8-78.200107.6
2S38.4Very low69.1Low117 Ų11780.8 Ų80.882%0.81853%0.527SS*.  trans-82123.1173630000108.1G4S2-G4 PolarHBondContact O-N 2.72Å
3A41.8Very low71.4Confident102 Ų10281.5 Ų81.584%0.84353%0.528SS*.  trans-57.8110.5168.900000108.2G5A3-G5 PolarHBondContact O-N 3.38Å
4G40Very low73.3Confident74 Ų7476.3 Ų76.376%0.76349%0.493SS*.  trans-72.194.7171.300000108.3S2 G6S2-G4 PolarHBondContact O-N 2.72Å; G4-G6 PolarHBondContact O-N 2.66Å
5G45.7Very low74.9Confident49 Ų4974.8 Ų74.851%0.50548%0.484SS..  trans-56.2107.617100000109A3 R7A3-G5 PolarHBondContact O-N 3.38Å; G5-R7 PolarHBondContact O-N 3.04Å
6G67.8Low76.4Confident53 Ų5374.4 Ų74.455%0.54648%0.481SS..  trans-66.9128.5-178.200000110.3G4 A8 G353G4-G6 PolarHBondContact O-N 2.66Å; G6-A8 PolarHBondContact O-N 3.04Å; G6-G353 VanDerWaalsContact O-CA 3.29Å; G6-G353 WeakPolarHBondContact O-CA 3.4Å; G6-G353 PolarHBondContact O-N 3.5Å; G6-G353 VanDerWaalsContact O-N 3.08Å
7R81.3Confident77.7Confident161 Ų16170.1 Ų70.161%0.60845%0.453SS*.  trans-62.1131170.4-83.7179.9153-168.6-8.2110.7G5 L350 R351 D352G5-R7 PolarHBondContact O-N 3.04Å; R7-L350 HydrophobicContact CB-CD1 4.02Å; R7-L350 HydrophobicContact CB-CD2 4.21Å; R7-L350 HydrophobicContact CB-CG 3.98Å; R7-L350 HydrophobicContact CG-CG 4.41Å; R7-R351 CarbonylContact C-O 3.59Å; R7-R351 VanDerWaalsContact CA-O 3.24Å; R7-R351 WeakPolarHBondContact CA-O 3.19Å; R7-D352 WeakPolarHBondContact CG-OD1 3.26Å; R7-D352 IonicContact CZ-OD1 2.87Å; R7-D352 IonicContact NE-OD1 3.07Å; R7-D352 PolarHBondContact NE-OD1 2.87Å; R7-D352 IonicContact NH2-OD1 3.73Å
8A90.6Very high78.8Confident52 Ų5270.8 Ų70.843%0.4346%0.458SS..EExtended strand (participates in β ladder)trans-128.3142.5-177.800000111.7G6 R351G6-A8 PolarHBondContact O-N 3.04Å; A8-R351 PolarHBondContact N-O 3.06Å; A8-R351 PolarHBondContact O-N 3.46Å
9F95.1Very high79.8Confident24 Ų2469.2 Ų69.211%0.10545%0.447CS..EExtended strand (participates in β ladder)trans-74.7130.3173.2-70.5-83.3000110L279 H282 V284 L312 L348 C349 L350F9-L279 HydrophobicContact CD1-CD2 4.03Å; F9-L279 HydrophobicContact CE1-CB 4.43Å; F9-L279 HydrophobicContact CE1-CD2 3.83Å; F9-L279 HydrophobicContact CE1-CG 4.1Å; F9-H282 AromaticContact CE2-CE1 3.96Å; F9-H282 AromaticContact CE2-ND1 3.86Å; F9-H282 HydrophobicContact CZ-CB 3.95Å; F9-H282 AromaticContact CZ-CD2 4Å; F9-H282 AromaticContact CZ-CG 3.68Å; F9-H282 AromaticContact CZ-ND1 3.82Å; F9-V284 HydrophobicContact CE1-CG2 4.37Å; F9-L312 HydrophobicContact CB-CD1 4.16Å; F9-L312 HydrophobicContact CB-CD2 4.28Å; F9-L312 HydrophobicContact CD1-CD1 3.82Å; F9-L312 HydrophobicContact CD2-CD1 3.78Å; F9-L312 HydrophobicContact CD2-CD2 3.36Å; F9-L312 HydrophobicContact CD2-CG 4.21Å; F9-L312 HydrophobicContact CE1-CD1 4.11Å; F9-L312 HydrophobicContact CE2-CD1 4.06Å; F9-L312 HydrophobicContact CE2-CD2 3.83Å; F9-L312 HydrophobicContact CG-CD1 3.64Å; F9-L312 HydrophobicContact CG-CD2 3.94Å; F9-L312 HydrophobicContact CG-CG 4.38Å; F9-L312 HydrophobicContact CZ-CD1 4.22Å; F9-L348 HydrophobicContact CB-CD1 4.29Å; F9-L348 HydrophobicContact CD1-CD2 4.02Å; F9-L348 HydrophobicContact CD1-CG 4.22Å; F9-C349 WeakPolarHBondContact CA-O 3.3Å; F9-L350 HydrophobicContact CD1-CD1 4.04Å; F9-L350 HydrophobicContact CD2-CD1 3.99Å; F9-L350 HydrophobicContact CE1-CB 4.49Å; F9-L350 HydrophobicContact CE1-CD1 4Å; F9-L350 HydrophobicContact CE2-CD1 3.95Å; F9-L350 HydrophobicContact CG-CD1 4.04Å; F9-L350 HydrophobicContact CZ-CD1 3.95Å
10A96.3Very high80.7Confident28 Ų2866.6 Ų66.623%0.23143%0.43CS..EExtended strand (participates in β ladder)trans-138.4145.6179.700000111.1C349 R351A10-C349 PolarHBondContact N-O 3.45Å; A10-C349 PolarHBondContact O-N 3.49Å; A10-C349 PolarHBondContact O-SG 2.73Å; A10-R351 HydrophobicContact CB-CG 4.4Å
11W97.8Very high81.5Confident39 Ų3963.6 Ų63.615%0.14841%0.411CS..EExtended strand (participates in β ladder)trans-84.1134.2172.7-76.1104.1000110.8I286 V299 P313 A314 M315 P316 V333 E346 A347 L348W11-I286 HydrophobicContact CH2-CD1 4.02Å; W11-I286 HydrophobicContact CH2-CG2 3.71Å; W11-I286 HydrophobicContact CZ2-CG2 3.94Å; W11-V299 HydrophobicContact CZ2-CG2 3.83Å; W11-P313 PolarHBondContact NE1-O 3.08Å; W11-A314 PolarHBondContact NE1-O 2.81Å; W11-M315 HydrophobicContact CH2-CB 4Å; W11-M315 HydrophobicContact CH2-CG 3.76Å; W11-M315 HydrophobicContact CH2-SD 4.17Å; W11-M315 HydrophobicContact CZ2-CB 3.64Å; W11-M315 HydrophobicContact CZ2-CG 3.92Å; W11-M315 HydrophobicContact CZ3-CG 4.34Å; W11-P316 HydrophobicContact CB-CG 4.09Å; W11-P316 HydrophobicContact CD2-CG 4.22Å; W11-P316 HydrophobicContact CG-CG 4Å; W11-V333 HydrophobicContact CH2-CG2 4.24Å; W11-V333 HydrophobicContact CZ3-CG2 4.42Å; W11-E346 HydrophobicContact CE3-CB 3.98Å; W11-E346 HydrophobicContact CZ3-CB 3.86Å; W11-A347 VanDerWaalsContact CE3-C 3.5Å; W11-L348 HydrophobicContact CD2-CD1 4Å; W11-L348 HydrophobicContact CE3-CB 4.34Å; W11-L348 HydrophobicContact CG-CD1 4.33Å; W11-L348 HydrophobicContact CH2-CB 4.14Å; W11-L348 HydrophobicContact CZ2-CB 4.36Å; W11-L348 HydrophobicContact CZ2-CD1 4.08Å; W11-L348 HydrophobicContact CZ3-CB 4.11Å
12Q96.8Very high84.3Confident25 Ų2552.5 Ų52.512%0.11736%0.357CS..EExtended strand (participates in β ladder)trans-105.9118.5162.3-172.2171.8-1.400107.7F14 H57 E346 A347Q12-F14 HydrophobicContact CB-CE2 4.02Å; Q12-F14 HydrophobicContact CB-CZ 4.22Å; Q12-F14 HydrophobicContact CG-CD2 4.37Å; Q12-F14 HydrophobicContact CG-CE1 4.06Å; Q12-F14 HydrophobicContact CG-CE2 3.68Å; Q12-F14 HydrophobicContact CG-CZ 3.51Å; Q12-F14 VanDerWaalsContact NE2-CZ 3.28Å; Q12-H57 PolarHBondContact NE2-NE2 2.89Å; Q12-E346 CarbonylContact O-C 3.53Å; Q12-E346 WeakPolarHBondContact O-CA 3.5Å; Q12-A347 PolarHBondContact N-O 2.99Å; Q12-A347 PolarHBondContact O-N 3.38Å
13V97.9Very high87.1Confident90 Ų9053.2 Ų53.255%0.54534%0.342SS..EExtended strand (participates in β ladder)trans-98.4126.2175.2-175.60000107.8P316 E346V13-P316 HydrophobicContact CG2-CB 4.25Å; V13-P316 HydrophobicContact CG2-CG 3.8Å; V13-E346 HydrophobicContact CG1-CG 4.48Å; V13-E346 HydrophobicContact CG2-CG 4.48Å
14F98.1Very high89.7Confident9 Ų948.8 Ų48.84%0.03931%0.307CS..PPolyproline II helixtrans-100.5162.8176.3-61.9-89.8000109.9Q12 L52 M54 H57 F332 V345 A347Q12-F14 HydrophobicContact CB-CE2 4.02Å; Q12-F14 HydrophobicContact CB-CZ 4.22Å; Q12-F14 HydrophobicContact CG-CD2 4.37Å; Q12-F14 HydrophobicContact CG-CE1 4.06Å; Q12-F14 HydrophobicContact CG-CE2 3.68Å; Q12-F14 HydrophobicContact CG-CZ 3.51Å; Q12-F14 VanDerWaalsContact NE2-CZ 3.28Å; F14-L52 HydrophobicContact CB-CD2 3.85Å; F14-L52 HydrophobicContact CD1-CD2 3.71Å; F14-L52 HydrophobicContact CE1-CD2 4.45Å; F14-L52 HydrophobicContact CG-CD2 3.84Å; F14-M54 HydrophobicContact CD1-CE 4.45Å; F14-M54 HydrophobicContact CE1-CE 3.41Å; F14-M54 VanDerWaalsContact CE1-CE 3.41Å; F14-M54 HydrophobicContact CE1-SD 4.21Å; F14-M54 HydrophobicContact CZ-CE 3.48Å; F14-M54 VanDerWaalsContact CZ-CE 3.48Å; F14-H57 AromaticContact CD1-CD2 3.77Å; F14-H57 AromaticContact CD1-NE2 3.99Å; F14-H57 AromaticContact CE1-CD2 3.73Å; F14-H57 AromaticContact CE1-NE2 3.57Å; F14-F332 HydrophobicContact CD2-CE1 4.17Å; F14-F332 HydrophobicContact CE2-CD1 4.36Å; F14-F332 AromaticContact CE2-CE1 3.56Å; F14-F332 HydrophobicContact CE2-CE1 3.56Å; F14-F332 HydrophobicContact CE2-CZ 4.25Å; F14-F332 AromaticContact CZ-CE1 3.91Å; F14-F332 HydrophobicContact CZ-CE1 3.91Å; F14-F332 HydrophobicContact CZ-CZ 4.2Å; F14-V345 HydrophobicContact CB-CB 4.27Å; F14-V345 HydrophobicContact CB-CG1 4.09Å; F14-V345 WeakPolarHBondContact CB-O 3.39Å; F14-V345 HydrophobicContact CD2-CG1 4.15Å; F14-V345 HydrophobicContact CG-CG1 4.37Å; F14-V345 PolarHBondContact N-O 2.94Å; F14-A347 HydrophobicContact CE2-CB 3.87Å
15P98.4Very high92.4Very high54 Ų5445.5 Ų45.535%0.35127%0.272SS..PPolyproline II helixtrans-52.5141.3169.7-31.342.3000110.8H57 W59P15-H57 HydrophobicContact CG-CB 4.38Å; P15-H57 VanDerWaalsContact CG-O 3.27Å; P15-H57 WeakPolarHBondContact CG-O 3.44Å; P15-W59 PolarHBondContact O-NE1 2.91Å
16P98.3Very high94.8Very high68 Ų6844 Ų4444%0.44225%0.253SS..PPolyproline II helixtrans-61.1142.6-179.926.7-34.1000110.2W59 Q343P16-W59 PolarHBondContact O-NE1 3.38Å; P16-Q343 CarbonylContact C-O 3.49Å; P16-Q343 VanDerWaalsContact CA-O 3.3Å; P16-Q343 WeakPolarHBondContact CA-O 3.45Å; P16-Q343 HydrophobicContact CB-CB 4.04Å; P16-Q343 HydrophobicContact CB-CG 3.6Å
17M97.8Very high96.3Very high1 Ų141.7 Ų41.71%0.00523%0.228CC..PPolyproline II helixtrans-65.1142.1174.270.4-152.5-157.200109.9T19 R21 V35 W59 I334 S342 Q343 V345M17-T19 WeakPolarHBondContact CE-O 3.45Å; M17-T19 WeakPolarHBondContact CG-O 3.28Å; M17-T19 PolarHBondContact O-N 2.69Å; M17-R21 HydrophobicContact CE-CB 4.12Å; M17-R21 HydrophobicContact CE-CG 3.49Å; M17-R21 VanDerWaalsContact CE-CG 3.49Å; M17-V35 HydrophobicContact SD-CG1 4.29Å; M17-W59 HydrophobicContact CB-CD2 4.32Å; M17-W59 HydrophobicContact CB-CE3 4.42Å; M17-W59 HydrophobicContact CB-CH2 3.65Å; M17-W59 HydrophobicContact CB-CZ2 3.51Å; M17-W59 HydrophobicContact CB-CZ3 4.11Å; M17-I334 HydrophobicContact SD-CG2 4.15Å; M17-S342 WeakPolarHBondContact CE-O 3.05Å; M17-Q343 HydrophobicContact CG-CB 4.07Å; M17-Q343 WeakPolarHBondContact CG-O 3.23Å; M17-Q343 PolarHBondContact N-O 3.13Å; M17-Q343 WeakPolarHBondContact O-CB 3.47Å; M17-V345 HydrophobicContact CB-CG2 4.1Å; M17-V345 HydrophobicContact CG-CG2 4.44Å; M17-V345 HydrophobicContact SD-CG2 3.98Å
18P98Very high97Very high84 Ų8436.9 Ų36.955%0.54521%0.213SC..SBendtrans-61.9-31.6-173.1-16.122.8000113.5E50 W59P18-E50 WeakPolarHBondContact CB-OE1 3.35Å; P18-E50 WeakPolarHBondContact CD-OE1 3.32Å; P18-E50 VanDerWaalsContact CG-OE1 3.23Å; P18-E50 WeakPolarHBondContact CG-OE1 3.22Å; P18-W59 HydrophobicContact CG-CB 3.96Å; P18-W59 HydrophobicContact CG-CG 4.24Å
19T97.8Very high97.2Very high39 Ų3935.2 Ų35.224%0.23920%0.196CC..SBendtrans-112117.5179.3-51.60000111.8M17 R21 L46 E50M17-T19 WeakPolarHBondContact CE-O 3.45Å; M17-T19 WeakPolarHBondContact CG-O 3.28Å; M17-T19 PolarHBondContact O-N 2.69Å; T19-R21 VanDerWaalsContact CB-NH2 3.32Å; T19-R21 PolarHBondContact O-N 2.65Å; T19-R21 PolarHBondContact O-NE 2.7Å; T19-L46 HydrophobicContact CG2-CD1 3.88Å; T19-E50 WeakPolarHBondContact CB-OE1 3.24Å; T19-E50 PolarHBondContact N-OE1 3.07Å; T19-E50 PolarHBondContact OG1-OE1 3.44Å
20C97.4Very high97Very high18 Ų1839 Ų3912%0.12222%0.217CC..  trans-65.8133.7174.263.70000112.1G40 P341 S342 Q343C20-G40 WeakPolarHBondContact O-CA 3.08Å; C20-P341 HydrophobicContact CB-CB 4.35Å; C20-P341 WeakPolarHBondContact CB-O 3.09Å; C20-S342 WeakPolarHBondContact CA-O 3.38Å; C20-Q343 HydrophobicContact CB-CB 4.28Å
21R97.6Very high96.9Very high3 Ų339.1 Ų39.11%0.01122%0.221CC..  trans-152.8154.5-178.980-157.950.8-117.418.5114.2M17 T19 V35 G37 C39 L46 T48 E50 G335 G336 S342M17-R21 HydrophobicContact CE-CB 4.12Å; M17-R21 HydrophobicContact CE-CG 3.49Å; M17-R21 VanDerWaalsContact CE-CG 3.49Å; T19-R21 VanDerWaalsContact CB-NH2 3.32Å; T19-R21 PolarHBondContact O-N 2.65Å; T19-R21 PolarHBondContact O-NE 2.7Å; R21-V35 VanDerWaalsContact CD-CG1 3.46Å; R21-G37 VanDerWaalsContact CD-O 3.25Å; R21-G37 WeakPolarHBondContact CD-O 3.26Å; R21-G37 PolarHBondContact NH1-O 3.41Å; R21-C39 CarbonylContact C-O 3.54Å; R21-C39 WeakPolarHBondContact CA-O 3.49Å; R21-L46 HydrophobicContact CB-CD1 4.16Å; R21-T48 PolarHBondContact NH1-OG1 3.13Å; R21-T48 PolarHBondContact NH2-OG1 3.43Å; R21-E50 IonicContact CZ-OE2 2.8Å; R21-E50 IonicContact NE-OE2 2.65Å; R21-E50 IonicContact NH2-OE2 3.35Å; R21-E50 PolarHBondContact NH2-OE2 3.23Å; R21-G335 WeakPolarHBondContact O-CA 3.49Å; R21-G336 PolarHBondContact O-N 3.16Å; R21-S342 PolarHBondContact N-O 3.33Å
22V97.4Very high96.9Very high13 Ų1339.8 Ų39.88%0.07923%0.226CC..BIsolated β-bridgetrans-119.1157.2165.8610000109.1G24 G38 C39 V337V22-G24 PolarHBondContact O-N 3.37Å; V22-G24 VanDerWaalsContact O-N 3.14Å; V22-G38 CarbonylContact O-C 3.51Å; V22-G38 VanDerWaalsContact O-CA 3.32Å; V22-G38 WeakPolarHBondContact O-CA 3.36Å; V22-C39 HydrophobicContact CG1-CB 4.04Å; V22-C39 PolarHBondContact N-O 2.94Å; V22-C39 PolarHBondContact O-N 3.33Å; V22-V337 HydrophobicContact CB-CG2 4.07Å; V22-V337 HydrophobicContact CG2-CG2 3.76Å
23Y96.5Very high96.9Very high132 Ų13238.6 Ų38.652%0.51822%0.221SC..SBendtrans5630.3-176.8-48.4-52.8000113G38 G71Y23-G38 VanDerWaalsContact O-CA 3.29Å; Y23-G38 WeakPolarHBondContact O-CA 3.47Å; Y23-G71 PolarHBondContact O-N 3.45Å
24G96.1Very high97Very high9 Ų934.3 Ų34.39%0.09320%0.195CC..  trans-68.8146175.500000110.3V22 S323V22-G24 PolarHBondContact O-N 3.37Å; V22-G24 VanDerWaalsContact O-N 3.14Å; G24-S323 PolarHBondContact N-OG 3.11Å; G24-S323 WeakPolarHBondContact O-CB 3.41Å; G24-S323 PolarHBondContact O-OG 3.48Å
25T96.8Very high97Very high4 Ų433.9 Ų33.93%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-91.1128.4174.6-58.10000108.2L36 A72 A74 V83T25-L36 WeakPolarHBondContact CB-O 3.33Å; T25-L36 PolarHBondContact N-O 2.94Å; T25-L36 PolarHBondContact O-N 3.23Å; T25-A72 WeakPolarHBondContact OG1-CB 3.22Å; T25-A72 PolarHBondContact OG1-O 3.4Å; T25-A74 HydrophobicContact CG2-CB 3.18Å; T25-V83 HydrophobicContact CG2-CG1 4.19Å
26V97.9Very high97Very high18 Ų1831.4 Ų31.411%0.10918%0.176CC..EExtended strand (participates in β ladder)trans-127.5141.9-173.2-62.50000111.6L34 V35 L325 I334V26-L34 VanDerWaalsContact CA-O 3.31Å; V26-L34 WeakPolarHBondContact CA-O 3.15Å; V26-V35 HydrophobicContact CG1-CG1 4.43Å; V26-V35 HydrophobicContact CG1-CG2 4.28Å; V26-L325 HydrophobicContact CG2-CB 4.01Å; V26-I334 HydrophobicContact CB-CD1 4.13Å; V26-I334 HydrophobicContact CG1-CB 4.33Å; V26-I334 HydrophobicContact CG1-CD1 3.8Å; V26-I334 HydrophobicContact CG1-CG2 4.11Å; V26-I334 HydrophobicContact CG2-CD1 4.45Å
27A97.7Very high97Very high4 Ų428.2 Ų28.23%0.03316%0.156CC..EExtended strand (participates in β ladder)trans-145.4154.717500000110.1L34 A74 V81 L325A27-L34 PolarHBondContact N-O 3.28Å; A27-L34 VanDerWaalsContact N-O 3.11Å; A27-L34 PolarHBondContact O-N 3.38Å; A27-A74 HydrophobicContact CB-CB 4.16Å; A27-V81 HydrophobicContact CB-CB 4.46Å; A27-V81 HydrophobicContact CB-CG1 3.55Å; A27-V81 HydrophobicContact CB-CG2 4.01Å; A27-L325 VanDerWaalsContact C-CD2 3.49Å
28H96.8Very high97Very high60 Ų6028.1 Ų28.128%0.27816%0.156SC..EExtended strand (participates in β ladder)trans-122.4124.3172.4173.5-83.1000108.3H32 L325 A327H28-H32 CarbonylContact C-O 3.58Å; H28-H32 VanDerWaalsContact CA-O 3.29Å; H28-H32 WeakPolarHBondContact CA-O 3.14Å; H28-L325 HydrophobicContact CB-CD2 3.5Å; H28-L325 HydrophobicContact CB-CG 4.5Å; H28-A327 HydrophobicContact CB-CB 3.83Å
29Q95.3Very high97Very high17 Ų1724.8 Ų24.88%0.07913%0.134CC..EExtended strand (participates in β ladder)trans-145125.7-174.5179.661.816.900109.1G31 H32 L34 A76 G78 V81 M102Q29-G31 VanDerWaalsContact C-N 3.3Å; Q29-G31 PolarHBondContact O-N 2.84Å; Q29-G31 VanDerWaalsContact O-N 3.14Å; Q29-H32 PolarHBondContact N-O 2.9Å; Q29-H32 WeakPolarHBondContact O-CA 3.27Å; Q29-H32 VanDerWaalsContact O-CB 3.28Å; Q29-H32 WeakPolarHBondContact O-CB 3.29Å; Q29-H32 PolarHBondContact O-N 3.14Å; Q29-L34 HydrophobicContact CB-CD1 4.28Å; Q29-A76 VanDerWaalsContact OE1-CB 3.31Å; Q29-G78 PolarHBondContact NE2-O 2.58Å; Q29-V81 HydrophobicContact CB-CG2 3.95Å; Q29-V81 HydrophobicContact CG-CG2 4.36Å; Q29-M102 HydrophobicContact CG-CE 4.47Å; Q29-M102 HydrophobicContact CG-CG 3.84Å; Q29-M102 HydrophobicContact CG-SD 4.32Å
30D91Very high96.9Very high103 Ų10323.4 Ų23.455%0.55113%0.127SC*.THydrogen-bonded Turntrans47.845.8173.2-58.4-38000114.7H32D30-H32 VanDerWaalsContact C-N 3.26Å; D30-H32 PolarHBondContact O-N 2.97Å; D30-H32 PolarHBondContact O-ND1 2.8Å
31G93.8Very high96.8Very high31 Ų3131.6 Ų31.632%0.3216%0.156SC..THydrogen-bonded Turntrans75.512.118000000114.6Q29 M54Q29-G31 VanDerWaalsContact C-N 3.3Å; Q29-G31 PolarHBondContact O-N 2.84Å; Q29-G31 VanDerWaalsContact O-N 3.14Å; G31-M54 WeakPolarHBondContact O-CB 3.28Å; G31-M54 WeakPolarHBondContact O-CG 3.47Å; G31-M54 PolarHBondContact O-N 3.38Å
32H96.8Very high96.6Very high54 Ų5435.6 Ų35.625%0.2519%0.189CC..EExtended strand (participates in β ladder)trans-115.5132.1177.5-66.577.3000110H28 Q29 D30 L34 T51 L52 M102H28-H32 CarbonylContact C-O 3.58Å; H28-H32 VanDerWaalsContact CA-O 3.29Å; H28-H32 WeakPolarHBondContact CA-O 3.14Å; Q29-H32 PolarHBondContact N-O 2.9Å; Q29-H32 WeakPolarHBondContact O-CA 3.27Å; Q29-H32 VanDerWaalsContact O-CB 3.28Å; Q29-H32 WeakPolarHBondContact O-CB 3.29Å; Q29-H32 PolarHBondContact O-N 3.14Å; D30-H32 VanDerWaalsContact C-N 3.26Å; D30-H32 PolarHBondContact O-N 2.97Å; D30-H32 PolarHBondContact O-ND1 2.8Å; H32-L34 HydrophobicContact CB-CD1 4.12Å; H32-T51 WeakPolarHBondContact CB-OG1 3.36Å; H32-L52 WeakPolarHBondContact CA-O 3.47Å; H32-M102 HydrophobicContact CB-CE 4.06Å
33L98.1Very high96.3Very high0 Ų037 Ų370%021%0.206CC..EExtended strand (participates in β ladder)trans-98.7108.2170.6174.472.6000108.8V35 T51 L52 M54 L325 F332 I334 V345L33-V35 HydrophobicContact CG-CG2 4.42Å; L33-T51 CarbonylContact O-C 3.58Å; L33-T51 WeakPolarHBondContact O-CA 3.39Å; L33-T51 PolarHBondContact O-OG1 3.21Å; L33-L52 HydrophobicContact CB-CB 4.25Å; L33-L52 HydrophobicContact CD2-CD2 4.31Å; L33-L52 PolarHBondContact N-O 3.25Å; L33-L52 PolarHBondContact O-N 3.01Å; L33-M54 HydrophobicContact CB-SD 4.11Å; L33-L325 HydrophobicContact CD1-CD2 3.59Å; L33-F332 HydrophobicContact CD2-CD1 3.87Å; L33-F332 HydrophobicContact CD2-CE1 3.9Å; L33-I334 HydrophobicContact CD1-CD1 3.73Å; L33-I334 HydrophobicContact CD2-CD1 3.76Å; L33-I334 HydrophobicContact CD2-CG1 4.34Å; L33-I334 HydrophobicContact CG-CD1 4.17Å; L33-V345 HydrophobicContact CD2-CG1 3.84Å
34L98.5Very high96.2Very high0 Ų035.2 Ų35.20%021%0.205CC..EExtended strand (participates in β ladder)trans-88.2136.4177.3-67.580.6000110.1V26 A27 Q29 H32 L36 L62 V81 F100 M102V26-L34 VanDerWaalsContact CA-O 3.31Å; V26-L34 WeakPolarHBondContact CA-O 3.15Å; A27-L34 PolarHBondContact N-O 3.28Å; A27-L34 VanDerWaalsContact N-O 3.11Å; A27-L34 PolarHBondContact O-N 3.38Å; Q29-L34 HydrophobicContact CB-CD1 4.28Å; H32-L34 HydrophobicContact CB-CD1 4.12Å; L34-L36 HydrophobicContact CB-CD1 4.38Å; L34-L36 HydrophobicContact CB-CD2 4.24Å; L34-L36 HydrophobicContact CB-CG 4.22Å; L34-L36 HydrophobicContact CD2-CD2 4.45Å; L34-L62 HydrophobicContact CD2-CD1 4Å; L34-L62 HydrophobicContact CG-CD1 4.36Å; L34-V81 HydrophobicContact CD1-CG2 4.22Å; L34-V81 HydrophobicContact CD2-CB 4.22Å; L34-V81 HydrophobicContact CD2-CG2 3.92Å; L34-F100 HydrophobicContact CD2-CD1 4.07Å; L34-M102 HydrophobicContact CD1-CE 3.97Å; L34-M102 HydrophobicContact CD1-SD 4.15Å; L34-M102 HydrophobicContact CD2-SD 3.91Å
35V98.4Very high96.3Very high0 Ų035 Ų350%020%0.202CC..EExtended strand (participates in β ladder)trans-129.2114.4176.6-176.30000108.2M17 R21 V26 L33 E50 W59 I334M17-V35 HydrophobicContact SD-CG1 4.29Å; R21-V35 VanDerWaalsContact CD-CG1 3.46Å; V26-V35 HydrophobicContact CG1-CG1 4.43Å; V26-V35 HydrophobicContact CG1-CG2 4.28Å; L33-V35 HydrophobicContact CG-CG2 4.42Å; V35-E50 PolarHBondContact N-O 3.4Å; V35-E50 PolarHBondContact O-N 2.98Å; V35-W59 HydrophobicContact CB-CH2 4.44Å; V35-W59 HydrophobicContact CB-CZ3 4.33Å; V35-W59 HydrophobicContact CG2-CH2 3.73Å; V35-W59 HydrophobicContact CG2-CZ3 4Å; V35-I334 HydrophobicContact CG1-CG2 4.17Å; V35-I334 HydrophobicContact CG2-CG2 3.87Å
36L98.5Very high96.4Very high1 Ų136.5 Ų36.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-129.4131.2-161.1-51.4171.6000110.2T25 L34 A49 L65 V81 V83 W107T25-L36 WeakPolarHBondContact CB-O 3.33Å; T25-L36 PolarHBondContact N-O 2.94Å; T25-L36 PolarHBondContact O-N 3.23Å; L34-L36 HydrophobicContact CB-CD1 4.38Å; L34-L36 HydrophobicContact CB-CD2 4.24Å; L34-L36 HydrophobicContact CB-CG 4.22Å; L34-L36 HydrophobicContact CD2-CD2 4.45Å; L36-A49 HydrophobicContact CD2-CB 3.5Å; L36-L65 HydrophobicContact CB-CD1 4.21Å; L36-L65 HydrophobicContact CB-CD2 4.47Å; L36-V81 HydrophobicContact CD1-CG1 4.15Å; L36-V83 HydrophobicContact CD1-CG2 3.65Å; L36-W107 HydrophobicContact CD1-CH2 4.12Å; L36-W107 HydrophobicContact CD2-CH2 4.29Å; L36-W107 HydrophobicContact CD2-CZ2 4.15Å
37G98.4Very high96.4Very high1 Ų139 Ų391%0.0122%0.223CC..  trans57.8-142.1172.200000114.5R21 L46 T48 R69R21-G37 VanDerWaalsContact CD-O 3.25Å; R21-G37 WeakPolarHBondContact CD-O 3.26Å; R21-G37 PolarHBondContact NH1-O 3.41Å; G37-L46 VanDerWaalsContact CA-O 3.27Å; G37-L46 WeakPolarHBondContact CA-O 3.37Å; G37-T48 PolarHBondContact N-O 3.08Å; G37-R69 CarbonylContact C-O 3.54Å; G37-R69 VanDerWaalsContact CA-O 3.31Å; G37-R69 WeakPolarHBondContact CA-O 2.98Å
38G98.1Very high96.4Very high0 Ų040.8 Ų40.80%023%0.233CC..  trans81.5-171.8-170.900000112.4V22 Y23 P45 L46 R69V22-G38 CarbonylContact O-C 3.51Å; V22-G38 VanDerWaalsContact O-CA 3.32Å; V22-G38 WeakPolarHBondContact O-CA 3.36Å; Y23-G38 VanDerWaalsContact O-CA 3.29Å; Y23-G38 WeakPolarHBondContact O-CA 3.47Å; G38-P45 CarbonylContact O-C 3.59Å; G38-P45 WeakPolarHBondContact O-CA 3.33Å; G38-L46 WeakPolarHBondContact O-CB 3.49Å; G38-L46 WeakPolarHBondContact O-CG 3.15Å; G38-L46 PolarHBondContact O-N 3.41Å; G38-R69 PolarHBondContact N-O 2.85Å
39C97.8Very high96.5Very high14 Ų1438.1 Ų38.110%0.09522%0.221CC..BIsolated β-bridgetrans-113.2128.6-175-65.40000111.6R21 V22 G43 L44 A70R21-C39 CarbonylContact C-O 3.54Å; R21-C39 WeakPolarHBondContact CA-O 3.49Å; V22-C39 HydrophobicContact CG1-CB 4.04Å; V22-C39 PolarHBondContact N-O 2.94Å; V22-C39 PolarHBondContact O-N 3.33Å; C39-G43 PolarHBondContact SG-O 2.87Å; C39-G43 VanDerWaalsContact SG-O 3.38Å; C39-L44 WeakPolarHBondContact CA-O 3.29Å; C39-A70 VanDerWaalsContact SG-CB 3.53Å
40G95.8Very high96.6Very high9 Ų937.7 Ų37.79%0.09322%0.22CC..  trans-83.6-162.7173.500000113.2C20 A42 G43C20-G40 WeakPolarHBondContact O-CA 3.08Å; G40-A42 PolarHBondContact O-N 3.01Å; G40-G43 PolarHBondContact O-N 2.77Å
41R95Very high97Very high191 Ų19133 Ų3372%0.72120%0.195SC*.THydrogen-bonded Turntrans-61-30.2179.6-66-179.7-174.7-83.8-3.1113.8G43R41-G43 PolarHBondContact O-N 3.31Å
42A93.4Very high97.2Very high86 Ų8631.6 Ų31.671%0.71118%0.18SC*.THydrogen-bonded Turntrans-72.5-9.7176.600000113.2G40 L44G40-A42 PolarHBondContact O-N 3.01Å; A42-L44 PolarHBondContact O-N 3Å
43G92.5Very high97.3Very high43 Ų4330.9 Ų30.944%0.44318%0.178SC..SBendtrans75.5-7.2-175.700000114.6C39 G40 R41C39-G43 PolarHBondContact SG-O 2.87Å; C39-G43 VanDerWaalsContact SG-O 3.38Å; G40-G43 PolarHBondContact O-N 2.77Å; R41-G43 PolarHBondContact O-N 3.31Å
44L94.7Very high97.1Very high94 Ų9431.8 Ų31.849%0.49218%0.182SC..  trans-79.5142176.8-62.5175.7000111.4C39 A42C39-L44 WeakPolarHBondContact CA-O 3.29Å; A42-L44 PolarHBondContact O-N 3Å
45P97.8Very high97Very high5 Ų536.2 Ų36.23%0.03222%0.219CC..BIsolated β-bridgetrans-54.1142.5168.7-32.841.7000113.2G38 A70 D88G38-P45 CarbonylContact O-C 3.59Å; G38-P45 WeakPolarHBondContact O-CA 3.33Å; P45-A70 HydrophobicContact CB-CB 4.23Å; P45-A70 HydrophobicContact CG-CB 4.12Å; P45-D88 WeakPolarHBondContact CG-O 3.42Å
46L98.1Very high96.9Very high35 Ų3539.1 Ų39.118%0.18324%0.239CC..  trans-106.3149.6-176.2-58.8170.3000110.3T19 R21 G37 G38 A68 R69T19-L46 HydrophobicContact CG2-CD1 3.88Å; R21-L46 HydrophobicContact CB-CD1 4.16Å; G37-L46 VanDerWaalsContact CA-O 3.27Å; G37-L46 WeakPolarHBondContact CA-O 3.37Å; G38-L46 WeakPolarHBondContact O-CB 3.49Å; G38-L46 WeakPolarHBondContact O-CG 3.15Å; G38-L46 PolarHBondContact O-N 3.41Å; L46-A68 WeakPolarHBondContact O-CA 3.46Å; L46-R69 PolarHBondContact O-N 2.83Å
47D98.1Very high96.9Very high72 Ų7242.4 Ų42.439%0.38525%0.254SS..  trans-96.51164.363.5-9.9000112.4A49 P64 L65 A68D47-A49 PolarHBondContact O-N 3.15Å; D47-P64 HydrophobicContact CB-CB 4.26Å; D47-P64 CarbonylContact O-C 3.55Å; D47-P64 VanDerWaalsContact O-CA 3.24Å; D47-P64 WeakPolarHBondContact O-CA 3.46Å; D47-P64 WeakPolarHBondContact O-CB 3.41Å; D47-L65 HydrophobicContact CB-CB 4.43Å; D47-L65 WeakPolarHBondContact O-CD1 3.39Å; D47-L65 PolarHBondContact O-N 2.9Å; D47-A68 HydrophobicContact CB-CB 3.92Å
48T98.4Very high96.9Very high40 Ų4045.6 Ų45.625%0.24527%0.274CS..  trans-69133.7-177.354.90000111.3R21 G37 L65R21-T48 PolarHBondContact NH1-OG1 3.13Å; R21-T48 PolarHBondContact NH2-OG1 3.43Å; G37-T48 PolarHBondContact N-O 3.08Å; T48-L65 WeakPolarHBondContact O-CD1 3.29Å
49A98.4Very high96.9Very high4 Ų447.5 Ų47.53%0.03328%0.281CS..EExtended strand (participates in β ladder)trans-123.9126.3175.100000109.3L36 D47 L62 A63 L65 W107L36-A49 HydrophobicContact CD2-CB 3.5Å; D47-A49 PolarHBondContact O-N 3.15Å; A49-L62 HydrophobicContact CB-CB 3.89Å; A49-L62 HydrophobicContact CB-CD1 4.47Å; A49-L62 PolarHBondContact O-N 3.41Å; A49-A63 WeakPolarHBondContact CB-O 3.49Å; A49-L65 HydrophobicContact CB-CD1 4.05Å; A49-W107 HydrophobicContact CB-CZ2 4.13Å
50E98.3Very high96.9Very high9 Ų951.1 Ų51.14%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-132.9144.7-176.2-61.3170.5132.700108.5P18 T19 R21 V35 W59 L60P18-E50 WeakPolarHBondContact CB-OE1 3.35Å; P18-E50 WeakPolarHBondContact CD-OE1 3.32Å; P18-E50 VanDerWaalsContact CG-OE1 3.23Å; P18-E50 WeakPolarHBondContact CG-OE1 3.22Å; T19-E50 WeakPolarHBondContact CB-OE1 3.24Å; T19-E50 PolarHBondContact N-OE1 3.07Å; T19-E50 PolarHBondContact OG1-OE1 3.44Å; R21-E50 IonicContact CZ-OE2 2.8Å; R21-E50 IonicContact NE-OE2 2.65Å; R21-E50 IonicContact NH2-OE2 3.35Å; R21-E50 PolarHBondContact NH2-OE2 3.23Å; V35-E50 PolarHBondContact N-O 3.4Å; V35-E50 PolarHBondContact O-N 2.98Å; E50-W59 HydrophobicContact CB-CE3 3.88Å; E50-W59 HydrophobicContact CB-CZ3 3.97Å; E50-L60 WeakPolarHBondContact CA-O 3.14Å
51T98.4Very high97Very high5 Ų555.1 Ų55.13%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-128.2139.3174-170.10000111.3H32 L33 W59 L60 L62H32-T51 WeakPolarHBondContact CB-OG1 3.36Å; L33-T51 CarbonylContact O-C 3.58Å; L33-T51 WeakPolarHBondContact O-CA 3.39Å; L33-T51 PolarHBondContact O-OG1 3.21Å; T51-W59 VanDerWaalsContact C-CE3 3.41Å; T51-W59 CarbonylContact O-C 3.59Å; T51-W59 WeakPolarHBondContact O-CA 3.5Å; T51-L60 HydrophobicContact CG2-CB 3.9Å; T51-L60 PolarHBondContact N-O 2.85Å; T51-L60 PolarHBondContact O-N 3.39Å; T51-L62 HydrophobicContact CG2-CD1 4.23Å; T51-L62 HydrophobicContact CG2-CD2 3.65Å; T51-L62 HydrophobicContact CG2-CG 4.01Å
52L98.5Very high97.2Very high0 Ų047.9 Ų47.90%031%0.306CS..EExtended strand (participates in β ladder)trans-99118.3169.4174.967.2000108.5F14 H32 L33 M54 W59 V345F14-L52 HydrophobicContact CB-CD2 3.85Å; F14-L52 HydrophobicContact CD1-CD2 3.71Å; F14-L52 HydrophobicContact CE1-CD2 4.45Å; F14-L52 HydrophobicContact CG-CD2 3.84Å; H32-L52 WeakPolarHBondContact CA-O 3.47Å; L33-L52 HydrophobicContact CB-CB 4.25Å; L33-L52 HydrophobicContact CD2-CD2 4.31Å; L33-L52 PolarHBondContact N-O 3.25Å; L33-L52 PolarHBondContact O-N 3.01Å; L52-M54 HydrophobicContact CD2-SD 4.06Å; L52-M54 HydrophobicContact CG-SD 4.37Å; L52-M54 PolarHBondContact O-N 2.8Å; L52-W59 HydrophobicContact CB-CD2 4.01Å; L52-W59 HydrophobicContact CB-CE3 3.97Å; L52-W59 HydrophobicContact CB-CH2 3.75Å; L52-W59 HydrophobicContact CB-CZ2 3.77Å; L52-W59 HydrophobicContact CB-CZ3 3.86Å; L52-W59 HydrophobicContact CD1-CD2 4.31Å; L52-W59 HydrophobicContact CD1-CG 4.4Å; L52-W59 HydrophobicContact CD1-CZ2 4.45Å; L52-W59 HydrophobicContact CD2-CZ2 4.15Å; L52-W59 HydrophobicContact CG-CZ2 4.35Å; L52-V345 HydrophobicContact CD2-CG1 4.27Å
53D97.6Very high97.4Very high39 Ų3945.5 Ų45.521%0.20929%0.287CS..EExtended strand (participates in β ladder)trans-70.7118.4165.3171.6-3.4000108.5A55 S56 H57 T58D53-A55 VanDerWaalsContact C-N 3.27Å; D53-A55 PolarHBondContact O-N 3.02Å; D53-A55 WeakPolarHBondContact OD1-CB 3.18Å; D53-A55 PolarHBondContact OD1-N 2.94Å; D53-S56 WeakPolarHBondContact CB-OG 3.27Å; D53-S56 PolarHBondContact OD1-N 2.85Å; D53-S56 WeakPolarHBondContact OD2-CB 3.24Å; D53-S56 PolarHBondContact OD2-OG 3.07Å; D53-H57 WeakPolarHBondContact O-CA 3.08Å; D53-H57 PolarHBondContact O-N 2.77Å; D53-T58 PolarHBondContact N-O 2.93Å
54M95.6Very high97.7Very high20 Ų2047.1 Ų47.110%0.09929%0.289CS..THydrogen-bonded Turntrans-73.2-16.5-175.7-65.9-63.5-50.100113.8F14 G31 L33 L52 H57 F332F14-M54 HydrophobicContact CD1-CE 4.45Å; F14-M54 HydrophobicContact CE1-CE 3.41Å; F14-M54 VanDerWaalsContact CE1-CE 3.41Å; F14-M54 HydrophobicContact CE1-SD 4.21Å; F14-M54 HydrophobicContact CZ-CE 3.48Å; F14-M54 VanDerWaalsContact CZ-CE 3.48Å; G31-M54 WeakPolarHBondContact O-CB 3.28Å; G31-M54 WeakPolarHBondContact O-CG 3.47Å; G31-M54 PolarHBondContact O-N 3.38Å; L33-M54 HydrophobicContact CB-SD 4.11Å; L52-M54 HydrophobicContact CD2-SD 4.06Å; L52-M54 HydrophobicContact CG-SD 4.37Å; L52-M54 PolarHBondContact O-N 2.8Å; M54-H57 PolarHBondContact O-CD2 2.85Å; M54-H57 VanDerWaalsContact O-CD2 3.23Å; M54-H57 PolarHBondContact O-NE2 2.84Å; M54-F332 HydrophobicContact CE-CE1 4.19Å; M54-F332 HydrophobicContact CE-CZ 3.6Å; M54-F332 HydrophobicContact SD-CE1 4.28Å; M54-F332 HydrophobicContact SD-CZ 3.94Å
55A95.6Very high97.9Very high93 Ų9342.9 Ų42.977%0.76927%0.267SS*.THydrogen-bonded Turntrans-86.8-48.3178.600000111.5D53D53-A55 VanDerWaalsContact C-N 3.27Å; D53-A55 PolarHBondContact O-N 3.02Å; D53-A55 WeakPolarHBondContact OD1-CB 3.18Å; D53-A55 PolarHBondContact OD1-N 2.94Å
56S97.2Very high97.9Very high61 Ų6145.1 Ų45.143%0.42728%0.282SS..THydrogen-bonded Turntrans-86.9-14.9179.962.40000113.6D53 T58D53-S56 WeakPolarHBondContact CB-OG 3.27Å; D53-S56 PolarHBondContact OD1-N 2.85Å; D53-S56 WeakPolarHBondContact OD2-CB 3.24Å; D53-S56 PolarHBondContact OD2-OG 3.07Å; S56-T58 PolarHBondContact O-N 3.29Å; S56-T58 PolarHBondContact OG-N 3.14Å; S56-T58 PolarHBondContact OG-OG1 2.91Å
57H97.5Very high97.9Very high69 Ų6944.9 Ų44.932%0.31928%0.282SS..  trans55.930.6-169.9-58.8160.7000113.1Q12 F14 P15 D53 M54Q12-H57 PolarHBondContact NE2-NE2 2.89Å; F14-H57 AromaticContact CD1-CD2 3.77Å; F14-H57 AromaticContact CD1-NE2 3.99Å; F14-H57 AromaticContact CE1-CD2 3.73Å; F14-H57 AromaticContact CE1-NE2 3.57Å; P15-H57 HydrophobicContact CG-CB 4.38Å; P15-H57 VanDerWaalsContact CG-O 3.27Å; P15-H57 WeakPolarHBondContact CG-O 3.44Å; D53-H57 WeakPolarHBondContact O-CA 3.08Å; D53-H57 PolarHBondContact O-N 2.77Å; M54-H57 PolarHBondContact O-CD2 2.85Å; M54-H57 VanDerWaalsContact O-CD2 3.23Å; M54-H57 PolarHBondContact O-NE2 2.84Å
58T98.3Very high97.9Very high68 Ų6841.9 Ų41.942%0.41727%0.267SS..  trans-104.2142.1177.4630000112.2D53 S56D53-T58 PolarHBondContact N-O 2.93Å; S56-T58 PolarHBondContact O-N 3.29Å; S56-T58 PolarHBondContact OG-N 3.14Å; S56-T58 PolarHBondContact OG-OG1 2.91Å
59W98.7Very high97.9Very high40 Ų4040 Ų4015%0.15226%0.256CS..EExtended strand (participates in β ladder)trans-85138.6172.3-73.597.5000111.3P15 P16 M17 P18 V35 E50 T51 L52 V345P15-W59 PolarHBondContact O-NE1 2.91Å; P16-W59 PolarHBondContact O-NE1 3.38Å; M17-W59 HydrophobicContact CB-CD2 4.32Å; M17-W59 HydrophobicContact CB-CE3 4.42Å; M17-W59 HydrophobicContact CB-CH2 3.65Å; M17-W59 HydrophobicContact CB-CZ2 3.51Å; M17-W59 HydrophobicContact CB-CZ3 4.11Å; P18-W59 HydrophobicContact CG-CB 3.96Å; P18-W59 HydrophobicContact CG-CG 4.24Å; V35-W59 HydrophobicContact CB-CH2 4.44Å; V35-W59 HydrophobicContact CB-CZ3 4.33Å; V35-W59 HydrophobicContact CG2-CH2 3.73Å; V35-W59 HydrophobicContact CG2-CZ3 4Å; E50-W59 HydrophobicContact CB-CE3 3.88Å; E50-W59 HydrophobicContact CB-CZ3 3.97Å; T51-W59 VanDerWaalsContact C-CE3 3.41Å; T51-W59 CarbonylContact O-C 3.59Å; T51-W59 WeakPolarHBondContact O-CA 3.5Å; L52-W59 HydrophobicContact CB-CD2 4.01Å; L52-W59 HydrophobicContact CB-CE3 3.97Å; L52-W59 HydrophobicContact CB-CH2 3.75Å; L52-W59 HydrophobicContact CB-CZ2 3.77Å; L52-W59 HydrophobicContact CB-CZ3 3.86Å; L52-W59 HydrophobicContact CD1-CD2 4.31Å; L52-W59 HydrophobicContact CD1-CG 4.4Å; L52-W59 HydrophobicContact CD1-CZ2 4.45Å; L52-W59 HydrophobicContact CD2-CZ2 4.15Å; L52-W59 HydrophobicContact CG-CZ2 4.35Å; W59-V345 HydrophobicContact CH2-CG2 4.06Å; W59-V345 HydrophobicContact CZ2-CB 4.22Å; W59-V345 HydrophobicContact CZ2-CG1 4.37Å; W59-V345 HydrophobicContact CZ2-CG2 3.6Å
60L97.9Very high97.9Very high90 Ų9040.2 Ų40.247%0.47126%0.257SS..EExtended strand (participates in β ladder)trans-123.8134.1171.9-62.7170.3000108.8E50 T51E50-L60 WeakPolarHBondContact CA-O 3.14Å; T51-L60 HydrophobicContact CG2-CB 3.9Å; T51-L60 PolarHBondContact N-O 2.85Å; T51-L60 PolarHBondContact O-N 3.39Å
61A98.1Very high97.8Very high93 Ų9341.3 Ų41.377%0.76927%0.271SS*.EExtended strand (participates in β ladder)trans-73.9133.216800000109
62L98.2Very high97.7Very high39 Ų3941.8 Ų41.820%0.20428%0.276CS..PPolyproline II helixtrans-99.3171.3173.5-59-178.6000109.9L34 A49 T51 F100L34-L62 HydrophobicContact CD2-CD1 4Å; L34-L62 HydrophobicContact CG-CD1 4.36Å; A49-L62 HydrophobicContact CB-CB 3.89Å; A49-L62 HydrophobicContact CB-CD1 4.47Å; A49-L62 PolarHBondContact O-N 3.41Å; T51-L62 HydrophobicContact CG2-CD1 4.23Å; T51-L62 HydrophobicContact CG2-CD2 3.65Å; T51-L62 HydrophobicContact CG2-CG 4.01Å; L62-F100 HydrophobicContact CB-CE2 4.2Å; L62-F100 HydrophobicContact CB-CZ 4.04Å; L62-F100 HydrophobicContact CD1-CD1 4.27Å; L62-F100 HydrophobicContact CD1-CE1 3.77Å; L62-F100 HydrophobicContact CD1-CE2 4.4Å; L62-F100 HydrophobicContact CD1-CZ 3.84Å; L62-F100 HydrophobicContact CD2-CE1 4.16Å; L62-F100 HydrophobicContact CD2-CZ 3.82Å; L62-F100 HydrophobicContact CG-CE1 4.46Å; L62-F100 HydrophobicContact CG-CZ 4.12Å
63A98.3Very high97.7Very high37 Ų3742.5 Ų42.531%0.30628%0.281SS..PPolyproline II helixtrans-54.5138.5166.200000109.8A49 F100 W107A49-A63 WeakPolarHBondContact CB-O 3.49Å; A63-F100 HydrophobicContact CB-CE2 4.48Å; A63-W107 PolarHBondContact O-NE1 3.35Å
64P98.4Very high97.7Very high76 Ų7641.8 Ų41.849%0.49428%0.281SS..PPolyproline II helixtrans-65.1151.1179.927.3-34.4000111.4D47 W107D47-P64 HydrophobicContact CB-CB 4.26Å; D47-P64 CarbonylContact O-C 3.55Å; D47-P64 VanDerWaalsContact O-CA 3.24Å; D47-P64 WeakPolarHBondContact O-CA 3.46Å; D47-P64 WeakPolarHBondContact O-CB 3.41Å; P64-W107 PolarHBondContact O-NE1 2.88Å
65L98.2Very high97.8Very high6 Ų641.4 Ų41.43%0.03128%0.279CS..PPolyproline II helixtrans-58.6134.4174.3-70102.1000109.8L36 D47 T48 A49 T67 R69 V83 W107L36-L65 HydrophobicContact CB-CD1 4.21Å; L36-L65 HydrophobicContact CB-CD2 4.47Å; D47-L65 HydrophobicContact CB-CB 4.43Å; D47-L65 WeakPolarHBondContact O-CD1 3.39Å; D47-L65 PolarHBondContact O-N 2.9Å; T48-L65 WeakPolarHBondContact O-CD1 3.29Å; A49-L65 HydrophobicContact CB-CD1 4.05Å; L65-T67 PolarHBondContact O-N 2.91Å; L65-T67 VanDerWaalsContact O-N 3.08Å; L65-R69 HydrophobicContact CD2-CG 4.46Å; L65-V83 HydrophobicContact CD2-CG1 4.44Å; L65-W107 HydrophobicContact CD1-CZ2 4.47Å; L65-W107 HydrophobicContact CD2-CH2 4Å; L65-W107 HydrophobicContact CD2-CZ2 4.27Å; L65-W107 HydrophobicContact CG-CH2 3.97Å; L65-W107 HydrophobicContact CG-CZ2 3.71Å
66P98.4Very high97.8Very high52 Ų5238.7 Ų38.734%0.33826%0.257SS..SBendtrans-60.9-17.8175-2328.2000114.9E98 W107 R109P66-E98 HydrophobicContact CB-CG 4.46Å; P66-E98 VanDerWaalsContact CD-OE2 3.26Å; P66-E98 WeakPolarHBondContact CD-OE2 3.41Å; P66-E98 HydrophobicContact CG-CG 4.25Å; P66-W107 VanDerWaalsContact CD-CG 3.46Å; P66-W107 HydrophobicContact CG-CB 3.55Å; P66-W107 HydrophobicContact CG-CG 3.96Å; P66-R109 PolarHBondContact O-NH2 2.84Å
67T98.1Very high97.8Very high29 Ų2936.2 Ų36.218%0.17824%0.239CC..SBendtrans-132.2118.3170.9-49.30000108.8L65 R69 E98L65-T67 PolarHBondContact O-N 2.91Å; L65-T67 VanDerWaalsContact O-N 3.08Å; T67-R69 PolarHBondContact O-N 3.21Å; T67-E98 WeakPolarHBondContact CB-OE1 3.18Å; T67-E98 PolarHBondContact N-OE1 3.47Å; T67-E98 PolarHBondContact N-OE2 2.94Å; T67-E98 PolarHBondContact OG1-OE1 3.36Å
68A98.1Very high97.5Very high10 Ų1036.1 Ų36.18%0.08326%0.257CS..  trans-60.8124.9170.200000110L46 D47 D88 E89L46-A68 WeakPolarHBondContact O-CA 3.46Å; D47-A68 HydrophobicContact CB-CB 3.92Å; A68-D88 WeakPolarHBondContact O-CA 3.12Å; A68-E89 HydrophobicContact CB-CG 3.66Å
69R98.3Very high97.3Very high1 Ų138.9 Ų38.90%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-157.7153.7-175.460.7-179.8167.4-108.7-8.1114.9G37 G38 L46 L65 T67 A72 V83 G85 V87 E98G37-R69 CarbonylContact C-O 3.54Å; G37-R69 VanDerWaalsContact CA-O 3.31Å; G37-R69 WeakPolarHBondContact CA-O 2.98Å; G38-R69 PolarHBondContact N-O 2.85Å; L46-R69 PolarHBondContact O-N 2.83Å; L65-R69 HydrophobicContact CD2-CG 4.46Å; T67-R69 PolarHBondContact O-N 3.21Å; R69-A72 HydrophobicContact CG-CB 4.4Å; R69-V83 VanDerWaalsContact NH2-CB 3.32Å; R69-V83 VanDerWaalsContact NH2-CG1 3.3Å; R69-G85 WeakPolarHBondContact CD-O 3.1Å; R69-V87 CarbonylContact C-O 3.56Å; R69-V87 WeakPolarHBondContact CA-O 3.4Å; R69-V87 WeakPolarHBondContact CB-O 3.4Å; R69-E98 IonicContact CZ-OE2 2.97Å; R69-E98 IonicContact NH1-OE1 2.77Å; R69-E98 PolarHBondContact NH1-OE1 2.91Å; R69-E98 IonicContact NH1-OE2 2.93Å; R69-E98 PolarHBondContact NH1-OE2 3.27Å; R69-E98 IonicContact NH2-OE2 3.09Å; R69-E98 PolarHBondContact NH2-OE2 2.85Å
70A98Very high97.2Very high7 Ų738.1 Ų38.16%0.05826%0.261CS..EExtended strand (participates in β ladder)trans-124.2155.2174.900000111.8C39 P45 A72 G86 V87C39-A70 VanDerWaalsContact SG-CB 3.53Å; P45-A70 HydrophobicContact CB-CB 4.23Å; P45-A70 HydrophobicContact CG-CB 4.12Å; A70-A72 PolarHBondContact O-N 2.8Å; A70-G86 WeakPolarHBondContact O-CA 3.47Å; A70-V87 PolarHBondContact N-O 3.25Å; A70-V87 PolarHBondContact O-N 3.17Å
71G95.7Very high97.2Very high32 Ų3233.8 Ų33.833%0.3324%0.239SC..SBendtrans61.627175.600000114.4Y23Y23-G71 PolarHBondContact O-N 3.45Å
72A98Very high97.3Very high16 Ų1629.4 Ų29.413%0.13220%0.202CC..  trans-77.6163.5171.600000110.5T25 R69 A70 V83 G85T25-A72 WeakPolarHBondContact OG1-CB 3.22Å; T25-A72 PolarHBondContact OG1-O 3.4Å; R69-A72 HydrophobicContact CG-CB 4.4Å; A70-A72 PolarHBondContact O-N 2.8Å; A72-V83 HydrophobicContact CB-CG1 3.71Å; A72-G85 VanDerWaalsContact CB-O 3.25Å; A72-G85 WeakPolarHBondContact CB-O 3.31Å
73A97.8Very high97.3Very high14 Ų1427.5 Ų27.512%0.11619%0.192CC..EExtended strand (participates in β ladder)trans-91.3148.7168.200000109.9V83 V84 T122A73-V83 CarbonylContact O-C 3.53Å; A73-V83 WeakPolarHBondContact O-CA 3.48Å; A73-V84 HydrophobicContact CB-CB 4.48Å; A73-V84 PolarHBondContact N-O 2.78Å; A73-V84 PolarHBondContact O-N 2.95Å; A73-T122 HydrophobicContact CB-CG2 3.56Å; A73-T122 WeakPolarHBondContact CB-OG1 3.32Å
74A97.1Very high97.3Very high25 Ų2525.8 Ų25.821%0.20718%0.178CC..EExtended strand (participates in β ladder)trans-128.4144.616800000112.4T25 A27 V81 L82T25-A74 HydrophobicContact CG2-CB 3.18Å; A27-A74 HydrophobicContact CB-CB 4.16Å; A74-V81 HydrophobicContact CB-CG1 4.17Å; A74-L82 CarbonylContact C-O 3.55Å; A74-L82 VanDerWaalsContact CA-O 3.22Å; A74-L82 WeakPolarHBondContact CA-O 3.37Å
75V97Very high97.3Very high11 Ų1122.1 Ų22.17%0.06715%0.154CC..EExtended strand (participates in β ladder)trans-137123.1-176.9-176.50000109.4V81 L82 T122 E124 V129V75-V81 WeakPolarHBondContact O-CA 3.47Å; V75-L82 PolarHBondContact N-O 3.01Å; V75-L82 PolarHBondContact O-N 3.5Å; V75-T122 VanDerWaalsContact CG2-CB 3.47Å; V75-T122 HydrophobicContact CG2-CG2 4.26Å; V75-T122 WeakPolarHBondContact CG2-OG1 3.45Å; V75-E124 HydrophobicContact CG1-CB 3.61Å; V75-E124 HydrophobicContact CG1-CG 4.18Å; V75-V129 HydrophobicContact CB-CG1 4.37Å; V75-V129 HydrophobicContact CB-CG2 4.41Å; V75-V129 HydrophobicContact CG1-CG1 4.33Å; V75-V129 HydrophobicContact CG1-CG2 3.88Å; V75-V129 HydrophobicContact CG2-CG1 3.93Å
76A96.7Very high97.3Very high36 Ų3621.9 Ų21.930%0.29815%0.153SC..EExtended strand (participates in β ladder)trans-69.4127165.400000109.3Q29Q29-A76 VanDerWaalsContact OE1-CB 3.31Å
77L96.1Very high97.3Very high10 Ų1020 Ų205%0.05214%0.141CC..EExtended strand (participates in β ladder)trans-144.2106.5-175.3-178.265.2000110.3K79 Q80 E124 V129 P150L77-K79 PolarHBondContact O-N 2.84Å; L77-K79 VanDerWaalsContact O-N 3.13Å; L77-Q80 HydrophobicContact CB-CG 4.38Å; L77-Q80 PolarHBondContact N-O 3.09Å; L77-Q80 WeakPolarHBondContact O-CG 3.24Å; L77-Q80 PolarHBondContact O-N 2.94Å; L77-E124 HydrophobicContact CD1-CG 4.02Å; L77-V129 HydrophobicContact CD1-CG2 4.13Å; L77-V129 HydrophobicContact CD2-CG2 3.78Å; L77-V129 HydrophobicContact CG-CG2 4.39Å; L77-P150 HydrophobicContact CD1-CG 4.48Å; L77-P150 HydrophobicContact CD2-CB 4.18Å; L77-P150 HydrophobicContact CD2-CG 3.4Å; L77-P150 VanDerWaalsContact CD2-CG 3.4Å; L77-P150 HydrophobicContact CG-CG 4.32Å
78G93.1Very high97.2Very high67 Ų6720.2 Ų20.269%0.69114%0.141SC*.THydrogen-bonded Turntrans62.6-115.6-175.200000110.8Q29Q29-G78 PolarHBondContact NE2-O 2.58Å
79K93.8Very high97.1Very high126 Ų12625.4 Ų25.455%0.54816%0.163SC..THydrogen-bonded Turntrans-11022.5175.7-67.4-171.8169.1-168.80113.5L77 M102 D103L77-K79 PolarHBondContact O-N 2.84Å; L77-K79 VanDerWaalsContact O-N 3.13Å; K79-M102 VanDerWaalsContact O-CB 3.32Å; K79-M102 WeakPolarHBondContact O-CB 3.4Å; K79-M102 VanDerWaalsContact O-CG 3.23Å; K79-M102 WeakPolarHBondContact O-CG 3.45Å; K79-M102 PolarHBondContact O-N 3.35Å; K79-M102 VanDerWaalsContact O-N 3.13Å; K79-D103 WeakPolarHBondContact CD-OD2 3.44Å; K79-D103 IonicContact NZ-OD1 3.29Å; K79-D103 IonicContact NZ-OD2 3.68Å; K79-D103 PolarHBondContact NZ-OD2 3.38Å
80Q96.4Very high96.9Very high23 Ų2331 Ų3111%0.10720%0.197CC..EExtended strand (participates in β ladder)trans-132.2156.6-17956.3172.551.100111L77 A99 F100 L101L77-Q80 HydrophobicContact CB-CG 4.38Å; L77-Q80 PolarHBondContact N-O 3.09Å; L77-Q80 WeakPolarHBondContact O-CG 3.24Å; L77-Q80 PolarHBondContact O-N 2.94Å; Q80-A99 HydrophobicContact CB-CB 4.49Å; Q80-F100 CarbonylContact C-O 3.54Å; Q80-F100 WeakPolarHBondContact CA-O 3.46Å; Q80-F100 VanDerWaalsContact CB-O 3.26Å; Q80-F100 WeakPolarHBondContact CB-O 3.38Å; Q80-L101 HydrophobicContact CB-CD2 3.95Å
81V98.3Very high96.7Very high0 Ų036.3 Ų36.30%022%0.221CC..EExtended strand (participates in β ladder)trans-109.5116.3168.9175.50000108.1A27 Q29 L34 L36 A74 V75 A99 F100 M102A27-V81 HydrophobicContact CB-CB 4.46Å; A27-V81 HydrophobicContact CB-CG1 3.55Å; A27-V81 HydrophobicContact CB-CG2 4.01Å; Q29-V81 HydrophobicContact CB-CG2 3.95Å; Q29-V81 HydrophobicContact CG-CG2 4.36Å; L34-V81 HydrophobicContact CD1-CG2 4.22Å; L34-V81 HydrophobicContact CD2-CB 4.22Å; L34-V81 HydrophobicContact CD2-CG2 3.92Å; L36-V81 HydrophobicContact CD1-CG1 4.15Å; A74-V81 HydrophobicContact CB-CG1 4.17Å; V75-V81 WeakPolarHBondContact O-CA 3.47Å; V81-A99 CarbonylContact O-C 3.44Å; V81-A99 WeakPolarHBondContact O-CA 3.4Å; V81-F100 PolarHBondContact N-O 3.28Å; V81-F100 PolarHBondContact O-N 2.95Å; V81-M102 HydrophobicContact CG2-SD 4.38Å
82L98.4Very high96.8Very high0 Ų036.7 Ų36.70%022%0.218CC..EExtended strand (participates in β ladder)trans-88.1131.1175.9-159.171.3000109.2A74 V75 V84 V97 A99 R110 V129 Y148A74-L82 CarbonylContact C-O 3.55Å; A74-L82 VanDerWaalsContact CA-O 3.22Å; A74-L82 WeakPolarHBondContact CA-O 3.37Å; V75-L82 PolarHBondContact N-O 3.01Å; V75-L82 PolarHBondContact O-N 3.5Å; L82-V84 HydrophobicContact CD2-CG2 3.91Å; L82-V84 HydrophobicContact CG-CG2 4.03Å; L82-V97 HydrophobicContact CD1-CG1 3.64Å; L82-V97 HydrophobicContact CD2-CG1 3.88Å; L82-V97 HydrophobicContact CG-CG1 3.72Å; L82-A99 HydrophobicContact CD1-CB 3.78Å; L82-R110 HydrophobicContact CD1-CG 3.88Å; L82-V129 HydrophobicContact CD2-CB 4.48Å; L82-V129 HydrophobicContact CD2-CG2 4.2Å; L82-Y148 HydrophobicContact CD2-CD1 3.88Å; L82-Y148 HydrophobicContact CD2-CE1 4.1Å
83V98.6Very high96.8Very high0 Ų036.5 Ų36.50%022%0.216CC..EExtended strand (participates in β ladder)trans-112.7127.5173.1-175.90000108.8T25 L36 L65 R69 A72 A73 V97 E98 W107T25-V83 HydrophobicContact CG2-CG1 4.19Å; L36-V83 HydrophobicContact CD1-CG2 3.65Å; L65-V83 HydrophobicContact CD2-CG1 4.44Å; R69-V83 VanDerWaalsContact NH2-CB 3.32Å; R69-V83 VanDerWaalsContact NH2-CG1 3.3Å; A72-V83 HydrophobicContact CB-CG1 3.71Å; A73-V83 CarbonylContact O-C 3.53Å; A73-V83 WeakPolarHBondContact O-CA 3.48Å; V83-V97 WeakPolarHBondContact O-CA 3.32Å; V83-E98 PolarHBondContact N-O 3.34Å; V83-E98 PolarHBondContact O-N 3.44Å; V83-W107 HydrophobicContact CG2-CH2 3.87Å; V83-W107 HydrophobicContact CG2-CZ3 3.9Å
84V98.8Very high96.8Very high0 Ų036.7 Ų36.70%022%0.215CC..EExtended strand (participates in β ladder)trans-126.8121.8-166.1-178.60000110.5A73 L82 V97 L113 T122 W155A73-V84 HydrophobicContact CB-CB 4.48Å; A73-V84 PolarHBondContact N-O 2.78Å; A73-V84 PolarHBondContact O-N 2.95Å; L82-V84 HydrophobicContact CD2-CG2 3.91Å; L82-V84 HydrophobicContact CG-CG2 4.03Å; V84-V97 HydrophobicContact CG1-CG2 4.38Å; V84-V97 HydrophobicContact CG2-CG1 4.24Å; V84-L113 HydrophobicContact CG1-CD1 3.84Å; V84-L113 HydrophobicContact CG1-CD2 3.77Å; V84-L113 HydrophobicContact CG1-CG 3.98Å; V84-T122 HydrophobicContact CB-CG2 4.21Å; V84-T122 HydrophobicContact CG1-CG2 4.28Å; V84-T122 HydrophobicContact CG2-CG2 4.39Å; V84-W155 HydrophobicContact CG1-CH2 4.38Å
85G98.5Very high96.9Very high0 Ų036.7 Ų36.70%022%0.216CC..  trans66.2-147.1174.100000113.5R69 A72 V94 A96 A117R69-G85 WeakPolarHBondContact CD-O 3.1Å; A72-G85 VanDerWaalsContact CB-O 3.25Å; A72-G85 WeakPolarHBondContact CB-O 3.31Å; G85-V94 WeakPolarHBondContact CA-O 3.2Å; G85-A96 PolarHBondContact N-O 2.8Å; G85-A117 WeakPolarHBondContact CA-O 3.23Å
86G98.3Very high96.9Very high1 Ų136.9 Ų36.91%0.0122%0.218CC..  trans104.1-165.2-17800000112.5A70 P93 V94 A117A70-G86 WeakPolarHBondContact O-CA 3.47Å; G86-P93 VanDerWaalsContact O-CA 3.3Å; G86-P93 WeakPolarHBondContact O-CA 3.11Å; G86-V94 PolarHBondContact O-N 2.77Å; G86-A117 PolarHBondContact N-O 2.86Å
87V97.9Very high97.1Very high12 Ų1235.3 Ų35.37%0.07321%0.205CC..EExtended strand (participates in β ladder)trans-122.2130.9-178-178.70000110.1R69 A70 Q91 S92 M118R69-V87 CarbonylContact C-O 3.56Å; R69-V87 WeakPolarHBondContact CA-O 3.4Å; R69-V87 WeakPolarHBondContact CB-O 3.4Å; A70-V87 PolarHBondContact N-O 3.25Å; A70-V87 PolarHBondContact O-N 3.17Å; V87-Q91 VanDerWaalsContact CG1-CA 3.43Å; V87-Q91 HydrophobicContact CG1-CB 4.37Å; V87-S92 WeakPolarHBondContact CA-O 3.49Å; V87-M118 HydrophobicContact CG2-CB 3.47Å; V87-M118 VanDerWaalsContact CG2-CB 3.47Å; V87-M118 HydrophobicContact CG2-CE 3.7Å; V87-M118 HydrophobicContact CG2-CG 4Å; V87-M118 HydrophobicContact CG2-SD 3.4Å; V87-M118 WeakPolarHBondContact CG2-SD 3.37Å
88D97.4Very high97.2Very high34 Ų3434.9 Ų34.918%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-87-178.2-179.766.712.3000114.3P45 A68 V90 Q91 S92 V94P45-D88 WeakPolarHBondContact CG-O 3.42Å; A68-D88 WeakPolarHBondContact O-CA 3.12Å; D88-V90 PolarHBondContact O-N 3.06Å; D88-V90 VanDerWaalsContact O-N 3.16Å; D88-V90 WeakPolarHBondContact OD1-CG2 3.3Å; D88-V90 PolarHBondContact OD1-N 2.84Å; D88-V90 VanDerWaalsContact OD1-N 3.14Å; D88-Q91 WeakPolarHBondContact O-CA 3.33Å; D88-Q91 PolarHBondContact O-N 2.93Å; D88-Q91 PolarHBondContact OD1-N 2.81Å; D88-S92 PolarHBondContact N-O 2.76Å; D88-S92 PolarHBondContact OD1-N 2.85Å; D88-V94 HydrophobicContact CB-CG1 3.66Å; D88-V94 WeakPolarHBondContact OD2-CG1 3.39Å
89E95.7Very high97.4Very high119 Ų11931.7 Ų31.756%0.55617%0.17SC*.THydrogen-bonded Turntrans-58.2-26.5-178.5-66.6178.198.200114.3A68 Q91A68-E89 HydrophobicContact CB-CG 3.66Å; E89-Q91 PolarHBondContact O-N 2.89Å
90V94.4Very high97.7Very high119 Ų11925.9 Ų25.972%0.72114%0.144SC*.THydrogen-bonded Turntrans-89.412.3175.5-59.30000112.8D88 S92D88-V90 PolarHBondContact O-N 3.06Å; D88-V90 VanDerWaalsContact O-N 3.16Å; D88-V90 WeakPolarHBondContact OD1-CG2 3.3Å; D88-V90 PolarHBondContact OD1-N 2.84Å; D88-V90 VanDerWaalsContact OD1-N 3.14Å; V90-S92 PolarHBondContact O-N 3.18Å
91Q93.4Very high97.7Very high118 Ų11825.7 Ų25.755%0.55114%0.144SC*.SBendtrans62.628.4-179.1-58.4-65.9-59.700113.5V87 D88 E89V87-Q91 VanDerWaalsContact CG1-CA 3.43Å; V87-Q91 HydrophobicContact CG1-CB 4.37Å; D88-Q91 WeakPolarHBondContact O-CA 3.33Å; D88-Q91 PolarHBondContact O-N 2.93Å; D88-Q91 PolarHBondContact OD1-N 2.81Å; E89-Q91 PolarHBondContact O-N 2.89Å
92S96.6Very high97.6Very high39 Ų3927.5 Ų27.527%0.27315%0.153SC..  trans-103.1138.4177.1-174.20000111.4V87 D88 V90V87-S92 WeakPolarHBondContact CA-O 3.49Å; D88-S92 PolarHBondContact N-O 2.76Å; D88-S92 PolarHBondContact OD1-N 2.85Å; V90-S92 PolarHBondContact O-N 3.18Å
93P98.1Very high97.4Very high12 Ų1233.1 Ų33.18%0.07818%0.183CC..BIsolated β-bridgetrans-53.9138.7164.7-27.637.8000111.6G86 A116 M118 M135 P137G86-P93 VanDerWaalsContact O-CA 3.3Å; G86-P93 WeakPolarHBondContact O-CA 3.11Å; P93-A116 WeakPolarHBondContact O-CB 3.26Å; P93-M118 HydrophobicContact CB-CB 4.35Å; P93-M118 HydrophobicContact CB-CG 4.49Å; P93-M118 HydrophobicContact CG-CB 4.35Å; P93-M118 HydrophobicContact CG-CG 4.03Å; P93-M118 HydrophobicContact CG-SD 4.38Å; P93-M135 WeakPolarHBondContact CG-O 3.43Å; P93-P137 HydrophobicContact CB-CG 4.29Å
94V98.4Very high97.3Very high18 Ų1838.3 Ų38.311%0.10921%0.207CC..  trans-116.8152.1179.1-66.30000112.5G85 G86 D88 A96 A117G85-V94 WeakPolarHBondContact CA-O 3.2Å; G86-V94 PolarHBondContact O-N 2.77Å; D88-V94 HydrophobicContact CB-CG1 3.66Å; D88-V94 WeakPolarHBondContact OD2-CG1 3.39Å; V94-A96 VanDerWaalsContact C-N 3.33Å; V94-A96 HydrophobicContact CB-CB 4.37Å; V94-A96 HydrophobicContact CG2-CB 4.18Å; V94-A117 PolarHBondContact O-N 2.82Å; V94-A117 VanDerWaalsContact O-N 3.1Å
95A98.4Very high97.2Very high26 Ų2640.1 Ų40.122%0.21523%0.226CC..  trans-91.21.7172.400000112.8V97 T112 L113 A116A95-V97 PolarHBondContact O-N 3.11Å; A95-T112 CarbonylContact O-C 3.55Å; A95-T112 VanDerWaalsContact O-CA 3.3Å; A95-T112 WeakPolarHBondContact O-CA 3.3Å; A95-T112 VanDerWaalsContact O-CB 3.27Å; A95-T112 WeakPolarHBondContact O-CB 3.18Å; A95-L113 HydrophobicContact CB-CB 4.23Å; A95-L113 PolarHBondContact O-N 3.37Å; A95-A116 HydrophobicContact CB-CB 4.04Å
96A98.6Very high97.2Very high14 Ų1446 Ų4612%0.11625%0.248CC..  trans-59.8135.5-173.400000111.7G85 V94G85-A96 PolarHBondContact N-O 2.8Å; V94-A96 VanDerWaalsContact C-N 3.33Å; V94-A96 HydrophobicContact CB-CB 4.37Å; V94-A96 HydrophobicContact CG2-CB 4.18Å
97V98.8Very high97.2Very high3 Ų347.3 Ų47.32%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-130.4120.6171.4-176.30000107.4L82 V83 V84 A95 R110 A111 L113 W155L82-V97 HydrophobicContact CD1-CG1 3.64Å; L82-V97 HydrophobicContact CD2-CG1 3.88Å; L82-V97 HydrophobicContact CG-CG1 3.72Å; V83-V97 WeakPolarHBondContact O-CA 3.32Å; V84-V97 HydrophobicContact CG1-CG2 4.38Å; V84-V97 HydrophobicContact CG2-CG1 4.24Å; A95-V97 PolarHBondContact O-N 3.11Å; V97-R110 HydrophobicContact CB-CB 4.27Å; V97-R110 HydrophobicContact CG1-CB 3.93Å; V97-R110 PolarHBondContact O-N 2.87Å; V97-A111 WeakPolarHBondContact CB-O 3.37Å; V97-A111 WeakPolarHBondContact CG2-O 3.27Å; V97-L113 HydrophobicContact CG2-CG 4.06Å; V97-W155 HydrophobicContact CG1-CZ2 4.35Å; V97-W155 HydrophobicContact CG2-CZ2 3.89Å
98E98.7Very high97.2Very high1 Ų149 Ų491%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-134.2133.1-174.8-67160.5-170.800109.2P66 T67 R69 V83 W107 E108 R109P66-E98 HydrophobicContact CB-CG 4.46Å; P66-E98 VanDerWaalsContact CD-OE2 3.26Å; P66-E98 WeakPolarHBondContact CD-OE2 3.41Å; P66-E98 HydrophobicContact CG-CG 4.25Å; T67-E98 WeakPolarHBondContact CB-OE1 3.18Å; T67-E98 PolarHBondContact N-OE1 3.47Å; T67-E98 PolarHBondContact N-OE2 2.94Å; T67-E98 PolarHBondContact OG1-OE1 3.36Å; R69-E98 IonicContact CZ-OE2 2.97Å; R69-E98 IonicContact NH1-OE1 2.77Å; R69-E98 PolarHBondContact NH1-OE1 2.91Å; R69-E98 IonicContact NH1-OE2 2.93Å; R69-E98 PolarHBondContact NH1-OE2 3.27Å; R69-E98 IonicContact NH2-OE2 3.09Å; R69-E98 PolarHBondContact NH2-OE2 2.85Å; V83-E98 PolarHBondContact N-O 3.34Å; V83-E98 PolarHBondContact O-N 3.44Å; E98-W107 HydrophobicContact CB-CE3 3.88Å; E98-W107 HydrophobicContact CB-CZ3 4.19Å; E98-E108 CarbonylContact C-O 3.56Å; E98-E108 WeakPolarHBondContact CA-O 3.41Å; E98-R109 HydrophobicContact CG-CG 4.44Å; E98-R109 IonicContact OE1-NH1 3.64Å
99A98.4Very high97.3Very high0 Ų055.1 Ų55.10%028%0.281CS..EExtended strand (participates in β ladder)trans-105.5126.717900000109.7Q80 V81 L82 W107 E108 R110Q80-A99 HydrophobicContact CB-CB 4.49Å; V81-A99 CarbonylContact O-C 3.44Å; V81-A99 WeakPolarHBondContact O-CA 3.4Å; L82-A99 HydrophobicContact CD1-CB 3.78Å; A99-W107 CarbonylContact O-C 3.56Å; A99-W107 WeakPolarHBondContact O-CA 3.23Å; A99-E108 PolarHBondContact N-O 2.97Å; A99-E108 PolarHBondContact O-N 2.79Å; A99-R110 HydrophobicContact CB-CG 3.95Å
100F98.5Very high97.4Very high4 Ų452 Ų522%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-88.5117.2166.2-171.3-104.7000109.1L34 L62 A63 Q80 V81 M102 W107L34-F100 HydrophobicContact CD2-CD1 4.07Å; L62-F100 HydrophobicContact CB-CE2 4.2Å; L62-F100 HydrophobicContact CB-CZ 4.04Å; L62-F100 HydrophobicContact CD1-CD1 4.27Å; L62-F100 HydrophobicContact CD1-CE1 3.77Å; L62-F100 HydrophobicContact CD1-CE2 4.4Å; L62-F100 HydrophobicContact CD1-CZ 3.84Å; L62-F100 HydrophobicContact CD2-CE1 4.16Å; L62-F100 HydrophobicContact CD2-CZ 3.82Å; L62-F100 HydrophobicContact CG-CE1 4.46Å; L62-F100 HydrophobicContact CG-CZ 4.12Å; A63-F100 HydrophobicContact CB-CE2 4.48Å; Q80-F100 CarbonylContact C-O 3.54Å; Q80-F100 WeakPolarHBondContact CA-O 3.46Å; Q80-F100 VanDerWaalsContact CB-O 3.26Å; Q80-F100 WeakPolarHBondContact CB-O 3.38Å; V81-F100 PolarHBondContact N-O 3.28Å; V81-F100 PolarHBondContact O-N 2.95Å; F100-M102 HydrophobicContact CD1-SD 3.68Å; F100-M102 HydrophobicContact CE1-SD 3.97Å; F100-M102 PolarHBondContact O-N 3.11Å; F100-W107 HydrophobicContact CB-CD2 4.05Å; F100-W107 HydrophobicContact CB-CE3 3.82Å; F100-W107 HydrophobicContact CB-CH2 3.77Å; F100-W107 HydrophobicContact CB-CZ2 3.98Å; F100-W107 HydrophobicContact CB-CZ3 3.7Å; F100-W107 AromaticContact CD2-CD1 3.93Å; F100-W107 AromaticContact CD2-CD2 3.82Å; F100-W107 HydrophobicContact CD2-CD2 3.82Å; F100-W107 AromaticContact CD2-CE2 3.54Å; F100-W107 HydrophobicContact CD2-CE3 4.46Å; F100-W107 HydrophobicContact CD2-CG 4.05Å; F100-W107 AromaticContact CD2-CZ2 3.96Å; F100-W107 HydrophobicContact CD2-CZ2 3.96Å; F100-W107 AromaticContact CD2-NE1 3.6Å; F100-W107 HydrophobicContact CG-CD2 4.43Å; F100-W107 HydrophobicContact CG-CZ2 4.25Å
101L97.6Very high97.6Very high20 Ų2047.5 Ų47.511%0.10524%0.239CC..EExtended strand (participates in β ladder)trans-83.9109.6177.2-59.5-174.3000109.2Q80 D103 E104 G105 R106 E108Q80-L101 HydrophobicContact CB-CD2 3.95Å; L101-D103 PolarHBondContact O-N 3.08Å; L101-E104 HydrophobicContact CB-CB 4.08Å; L101-E104 HydrophobicContact CB-CG 4.4Å; L101-E104 HydrophobicContact CD1-CG 4.42Å; L101-E104 WeakPolarHBondContact CD1-OE2 3.39Å; L101-E104 PolarHBondContact O-N 2.85Å; L101-G105 PolarHBondContact O-N 3.39Å; L101-R106 PolarHBondContact N-O 2.78Å; L101-E108 VanDerWaalsContact CD1-CD 3.44Å; L101-E108 HydrophobicContact CD1-CG 3.83Å; L101-E108 HydrophobicContact CG-CG 4.23Å
102M95.8Very high97.9Very high37 Ų3746 Ų4618%0.18224%0.238CC..THydrogen-bonded Turntrans-61.5-41.9-171.7-64.2-62.4-65.400112.7Q29 H32 L34 K79 V81 F100 E104Q29-M102 HydrophobicContact CG-CE 4.47Å; Q29-M102 HydrophobicContact CG-CG 3.84Å; Q29-M102 HydrophobicContact CG-SD 4.32Å; H32-M102 HydrophobicContact CB-CE 4.06Å; L34-M102 HydrophobicContact CD1-CE 3.97Å; L34-M102 HydrophobicContact CD1-SD 4.15Å; L34-M102 HydrophobicContact CD2-SD 3.91Å; K79-M102 VanDerWaalsContact O-CB 3.32Å; K79-M102 WeakPolarHBondContact O-CB 3.4Å; K79-M102 VanDerWaalsContact O-CG 3.23Å; K79-M102 WeakPolarHBondContact O-CG 3.45Å; K79-M102 PolarHBondContact O-N 3.35Å; K79-M102 VanDerWaalsContact O-N 3.13Å; V81-M102 HydrophobicContact CG2-SD 4.38Å; F100-M102 HydrophobicContact CD1-SD 3.68Å; F100-M102 HydrophobicContact CE1-SD 3.97Å; F100-M102 PolarHBondContact O-N 3.11Å; M102-E104 VanDerWaalsContact C-N 3.3Å; M102-E104 PolarHBondContact O-N 2.95Å
103D94.8Very high97.9Very high118 Ų11844.5 Ų44.563%0.63123%0.227SC*.THydrogen-bonded Turntrans-70.6-26.8-177.8-70.1-11.7000112.7K79 L101K79-D103 WeakPolarHBondContact CD-OD2 3.44Å; K79-D103 IonicContact NZ-OD1 3.29Å; K79-D103 IonicContact NZ-OD2 3.68Å; K79-D103 PolarHBondContact NZ-OD2 3.38Å; L101-D103 PolarHBondContact O-N 3.08Å
104E96.4Very high97.9Very high109 Ų10947.1 Ų47.151%0.50924%0.244SC..THydrogen-bonded Turntrans-103.8-13.4-173.1-59.3-179.7-15300113L101 M102 R106L101-E104 HydrophobicContact CB-CB 4.08Å; L101-E104 HydrophobicContact CB-CG 4.4Å; L101-E104 HydrophobicContact CD1-CG 4.42Å; L101-E104 WeakPolarHBondContact CD1-OE2 3.39Å; L101-E104 PolarHBondContact O-N 2.85Å; M102-E104 VanDerWaalsContact C-N 3.3Å; M102-E104 PolarHBondContact O-N 2.95Å; E104-R106 HydrophobicContact CB-CG 3.94Å; E104-R106 PolarHBondContact O-N 2.94Å; E104-R106 IonicContact OE2-CZ 2.72Å; E104-R106 IonicContact OE2-NE 3.48Å; E104-R106 PolarHBondContact OE2-NE 2.9Å; E104-R106 IonicContact OE2-NH2 3.84Å; E104-R106 PolarHBondContact OE2-NH2 2.98Å
105G96.3Very high97.8Very high39 Ų3950.7 Ų50.740%0.40226%0.26SS..THydrogen-bonded Turntrans64.823.9179.600000114.2L101L101-G105 PolarHBondContact O-N 3.39Å
106R97.9Very high97.8Very high122 Ų12250.7 Ų50.746%0.4626%0.259SS..EExtended strand (participates in β ladder)trans-133158.6-176.369.8179.7178117.417.5113.1L101 E104 E108L101-R106 PolarHBondContact N-O 2.78Å; E104-R106 HydrophobicContact CB-CG 3.94Å; E104-R106 PolarHBondContact O-N 2.94Å; E104-R106 IonicContact OE2-CZ 2.72Å; E104-R106 IonicContact OE2-NE 3.48Å; E104-R106 PolarHBondContact OE2-NE 2.9Å; E104-R106 IonicContact OE2-NH2 3.84Å; E104-R106 PolarHBondContact OE2-NH2 2.98Å; R106-E108 IonicContact CZ-OE1 2.88Å; R106-E108 IonicContact NH1-OE1 3.54Å; R106-E108 IonicContact NH2-OE1 2.71Å; R106-E108 PolarHBondContact NH2-OE1 2.84Å
107W98.7Very high97.8Very high30 Ų3050 Ų5011%0.11425%0.254CS..EExtended strand (participates in β ladder)trans-91.3142.6174.9-67.595.6000111.9L36 A49 A63 P64 L65 P66 V83 E98 A99 F100L36-W107 HydrophobicContact CD1-CH2 4.12Å; L36-W107 HydrophobicContact CD2-CH2 4.29Å; L36-W107 HydrophobicContact CD2-CZ2 4.15Å; A49-W107 HydrophobicContact CB-CZ2 4.13Å; A63-W107 PolarHBondContact O-NE1 3.35Å; P64-W107 PolarHBondContact O-NE1 2.88Å; L65-W107 HydrophobicContact CD1-CZ2 4.47Å; L65-W107 HydrophobicContact CD2-CH2 4Å; L65-W107 HydrophobicContact CD2-CZ2 4.27Å; L65-W107 HydrophobicContact CG-CH2 3.97Å; L65-W107 HydrophobicContact CG-CZ2 3.71Å; P66-W107 VanDerWaalsContact CD-CG 3.46Å; P66-W107 HydrophobicContact CG-CB 3.55Å; P66-W107 HydrophobicContact CG-CG 3.96Å; V83-W107 HydrophobicContact CG2-CH2 3.87Å; V83-W107 HydrophobicContact CG2-CZ3 3.9Å; E98-W107 HydrophobicContact CB-CE3 3.88Å; E98-W107 HydrophobicContact CB-CZ3 4.19Å; A99-W107 CarbonylContact O-C 3.56Å; A99-W107 WeakPolarHBondContact O-CA 3.23Å; F100-W107 HydrophobicContact CB-CD2 4.05Å; F100-W107 HydrophobicContact CB-CE3 3.82Å; F100-W107 HydrophobicContact CB-CH2 3.77Å; F100-W107 HydrophobicContact CB-CZ2 3.98Å; F100-W107 HydrophobicContact CB-CZ3 3.7Å; F100-W107 AromaticContact CD2-CD1 3.93Å; F100-W107 AromaticContact CD2-CD2 3.82Å; F100-W107 HydrophobicContact CD2-CD2 3.82Å; F100-W107 AromaticContact CD2-CE2 3.54Å; F100-W107 HydrophobicContact CD2-CE3 4.46Å; F100-W107 HydrophobicContact CD2-CG 4.05Å; F100-W107 AromaticContact CD2-CZ2 3.96Å; F100-W107 HydrophobicContact CD2-CZ2 3.96Å; F100-W107 AromaticContact CD2-NE1 3.6Å; F100-W107 HydrophobicContact CG-CD2 4.43Å; F100-W107 HydrophobicContact CG-CZ2 4.25Å
108E98.4Very high97.7Very high46 Ų4652.5 Ų52.522%0.21527%0.266CS..EExtended strand (participates in β ladder)trans-121.5134.6166.6-65.7-167157.800109.9E98 A99 L101 R106 R110E98-E108 CarbonylContact C-O 3.56Å; E98-E108 WeakPolarHBondContact CA-O 3.41Å; A99-E108 PolarHBondContact N-O 2.97Å; A99-E108 PolarHBondContact O-N 2.79Å; L101-E108 VanDerWaalsContact CD1-CD 3.44Å; L101-E108 HydrophobicContact CD1-CG 3.83Å; L101-E108 HydrophobicContact CG-CG 4.23Å; R106-E108 IonicContact CZ-OE1 2.88Å; R106-E108 IonicContact NH1-OE1 3.54Å; R106-E108 IonicContact NH2-OE1 2.71Å; R106-E108 PolarHBondContact NH2-OE1 2.84Å; E108-R110 IonicContact OE2-CZ 2.65Å; E108-R110 IonicContact OE2-NH1 3.66Å; E108-R110 PolarHBondContact OE2-NH1 3.5Å; E108-R110 IonicContact OE2-NH2 3.65Å; E108-R110 PolarHBondContact OE2-NH2 2.89Å
109R98.6Very high97.6Very high163 Ų16353.4 Ų53.462%0.61528%0.276SS*.EExtended strand (participates in β ladder)trans-72.1135.4167.9-67.2-175.9-177-90.1-2.5108.4P66 E98P66-R109 PolarHBondContact O-NH2 2.84Å; E98-R109 HydrophobicContact CG-CG 4.44Å; E98-R109 IonicContact OE1-NH1 3.64Å
110R98.6Very high97.6Very high53 Ų5354.1 Ų54.120%0.228%0.28CS..  trans-111.4173.7174.5-63.5-54.7-168.2-153.9-6.8109.8L82 V97 A99 E108 T112 Y148 D153L82-R110 HydrophobicContact CD1-CG 3.88Å; V97-R110 HydrophobicContact CB-CB 4.27Å; V97-R110 HydrophobicContact CG1-CB 3.93Å; V97-R110 PolarHBondContact O-N 2.87Å; A99-R110 HydrophobicContact CB-CG 3.95Å; E108-R110 IonicContact OE2-CZ 2.65Å; E108-R110 IonicContact OE2-NH1 3.66Å; E108-R110 PolarHBondContact OE2-NH1 3.5Å; E108-R110 IonicContact OE2-NH2 3.65Å; E108-R110 PolarHBondContact OE2-NH2 2.89Å; R110-T112 PolarHBondContact O-N 3.01Å; R110-Y148 HydrophobicContact CB-CE2 4.5Å; R110-Y148 VanDerWaalsContact CD-OH 3.29Å; R110-Y148 WeakPolarHBondContact CD-OH 3.19Å; R110-Y148 WeakPolarHBondContact CG-OH 3.25Å; R110-D153 WeakPolarHBondContact CB-OD1 3.43Å
111A98.6Very high97.6Very high25 Ų2554.5 Ų54.521%0.20728%0.284CS..PPolyproline II helixtrans-52.5128.8171.300000110.8V97 Y148 D153 W155V97-A111 WeakPolarHBondContact CB-O 3.37Å; V97-A111 WeakPolarHBondContact CG2-O 3.27Å; A111-Y148 HydrophobicContact CB-CE2 4.34Å; A111-D153 WeakPolarHBondContact CB-O 3.14Å; A111-D153 PolarHBondContact N-OD1 3.4Å; A111-D153 PolarHBondContact N-OD2 3.4Å; A111-W155 PolarHBondContact O-NE1 2.67Å
112T98.8Very high97.6Very high87 Ų8754.8 Ų54.853%0.53429%0.287SS..PPolyproline II helixtrans-68.9155.9-178.655.50000111A95 R110 W155A95-T112 CarbonylContact O-C 3.55Å; A95-T112 VanDerWaalsContact O-CA 3.3Å; A95-T112 WeakPolarHBondContact O-CA 3.3Å; A95-T112 VanDerWaalsContact O-CB 3.27Å; A95-T112 WeakPolarHBondContact O-CB 3.18Å; R110-T112 PolarHBondContact O-N 3.01Å; T112-W155 PolarHBondContact O-NE1 3.34Å
113L98.6Very high97.7Very high8 Ų853.7 Ų53.74%0.04228%0.282CS..PPolyproline II helixtrans-53.7145.7166.3-70.6171.3000110V84 A95 V97 Q115 A117 V120 A131 W155V84-L113 HydrophobicContact CG1-CD1 3.84Å; V84-L113 HydrophobicContact CG1-CD2 3.77Å; V84-L113 HydrophobicContact CG1-CG 3.98Å; A95-L113 HydrophobicContact CB-CB 4.23Å; A95-L113 PolarHBondContact O-N 3.37Å; V97-L113 HydrophobicContact CG2-CG 4.06Å; L113-Q115 VanDerWaalsContact CB-O 3.26Å; L113-Q115 WeakPolarHBondContact CB-O 3.34Å; L113-Q115 PolarHBondContact O-N 2.65Å; L113-A117 HydrophobicContact CD1-CB 4.46Å; L113-V120 HydrophobicContact CD1-CG2 4.24Å; L113-A131 HydrophobicContact CD2-CB 4.06Å; L113-W155 HydrophobicContact CD2-CD2 4.45Å; L113-W155 HydrophobicContact CD2-CH2 3.87Å; L113-W155 HydrophobicContact CD2-CZ2 3.78Å; L113-W155 HydrophobicContact CD2-CZ3 4.26Å
114P97.5Very high97.8Very high66 Ų6651.8 Ų51.843%0.42927%0.27SS..SBendtrans-61.5-26.2176-22.232.6000113.4W155P114-W155 HydrophobicContact CG-CB 4.14Å
115Q96.5Very high97.8Very high94 Ų9450.6 Ų50.644%0.43926%0.26SS..SBendtrans-134.3140.6173-61.8-177.425.800109.7L113L113-Q115 VanDerWaalsContact CB-O 3.26Å; L113-Q115 WeakPolarHBondContact CB-O 3.34Å; L113-Q115 PolarHBondContact O-N 2.65Å
116A98.1Very high97.8Very high25 Ų2554.5 Ų54.521%0.20727%0.272CS..  trans-63.6135.717300000110.5P93 A95 G136 P137 Q142P93-A116 WeakPolarHBondContact O-CB 3.26Å; A95-A116 HydrophobicContact CB-CB 4.04Å; A116-G136 WeakPolarHBondContact O-CA 3.36Å; A116-P137 HydrophobicContact CB-CG 4.12Å; A116-Q142 PolarHBondContact O-NE2 3.34Å
117A98Very high97.7Very high1 Ų150.3 Ų50.31%0.00827%0.267CS..  trans-156.5137.5-172.400000113.4G85 G86 V94 L113 V120 M135G85-A117 WeakPolarHBondContact CA-O 3.23Å; G86-A117 PolarHBondContact N-O 2.86Å; V94-A117 PolarHBondContact O-N 2.82Å; V94-A117 VanDerWaalsContact O-N 3.1Å; L113-A117 HydrophobicContact CD1-CB 4.46Å; A117-V120 HydrophobicContact CB-CG2 3.37Å; A117-M135 WeakPolarHBondContact CA-O 3.31Å
118M97.3Very high97.7Very high54 Ų5451.7 Ų51.727%0.26628%0.275SS..BIsolated β-bridgetrans-105.3155.5164.869171.5-69.800110.9V87 P93 V120 G134 M135V87-M118 HydrophobicContact CG2-CB 3.47Å; V87-M118 VanDerWaalsContact CG2-CB 3.47Å; V87-M118 HydrophobicContact CG2-CE 3.7Å; V87-M118 HydrophobicContact CG2-CG 4Å; V87-M118 HydrophobicContact CG2-SD 3.4Å; V87-M118 WeakPolarHBondContact CG2-SD 3.37Å; P93-M118 HydrophobicContact CB-CB 4.35Å; P93-M118 HydrophobicContact CB-CG 4.49Å; P93-M118 HydrophobicContact CG-CB 4.35Å; P93-M118 HydrophobicContact CG-CG 4.03Å; P93-M118 HydrophobicContact CG-SD 4.38Å; M118-V120 PolarHBondContact O-N 2.8Å; M118-G134 CarbonylContact O-C 3.59Å; M118-G134 VanDerWaalsContact O-CA 3.23Å; M118-G134 WeakPolarHBondContact O-CA 3.34Å; M118-M135 HydrophobicContact CG-CB 4.12Å; M118-M135 HydrophobicContact CG-CE 3.89Å; M118-M135 PolarHBondContact N-O 2.82Å; M118-M135 PolarHBondContact O-N 2.98Å; M118-M135 HydrophobicContact SD-CE 3.38Å; M118-M135 WeakPolarHBondContact SD-CE 3.5Å
119G96.7Very high97.7Very high21 Ų2149.5 Ų49.522%0.21627%0.265CS..SBendtrans63.930.3179.900000113.3G167G119-G167 PolarHBondContact O-N 3.26Å
120V98.1Very high97.7Very high15 Ų1543.3 Ų43.39%0.09124%0.242CC..  trans-66.8133.8171.3-179.60000108.4L113 A117 M118 T122 A131L113-V120 HydrophobicContact CD1-CG2 4.24Å; A117-V120 HydrophobicContact CB-CG2 3.37Å; M118-V120 PolarHBondContact O-N 2.8Å; V120-T122 HydrophobicContact CG1-CG2 4.15Å; V120-A131 HydrophobicContact CG1-CB 3.81Å
121A97.8Very high97.7Very high12 Ų1241 Ų4110%0.09923%0.234CC..EExtended strand (participates in β ladder)trans-89.8137168.700000109.6A131 L132 T170A121-A131 WeakPolarHBondContact O-CA 3.41Å; A121-L132 PolarHBondContact N-O 2.82Å; A121-L132 PolarHBondContact O-N 2.83Å; A121-T170 HydrophobicContact CB-CG2 3.45Å; A121-T170 VanDerWaalsContact CB-CG2 3.45Å
122T97.9Very high97.7Very high26 Ų2640 Ų4016%0.1623%0.225CC..EExtended strand (participates in β ladder)trans-127.2139.8179.9570000112.5A73 V75 V84 V120 Y130 A131A73-T122 HydrophobicContact CB-CG2 3.56Å; A73-T122 WeakPolarHBondContact CB-OG1 3.32Å; V75-T122 VanDerWaalsContact CG2-CB 3.47Å; V75-T122 HydrophobicContact CG2-CG2 4.26Å; V75-T122 WeakPolarHBondContact CG2-OG1 3.45Å; V84-T122 HydrophobicContact CB-CG2 4.21Å; V84-T122 HydrophobicContact CG1-CG2 4.28Å; V84-T122 HydrophobicContact CG2-CG2 4.39Å; V120-T122 HydrophobicContact CG1-CG2 4.15Å; T122-Y130 CarbonylContact C-O 3.56Å; T122-Y130 WeakPolarHBondContact CA-O 3.47Å; T122-A131 HydrophobicContact CG2-CB 4.45Å
123V97.8Very high97.6Very high14 Ų1436.1 Ų36.19%0.08520%0.203CC..EExtended strand (participates in β ladder)trans-132.3131.1176.5176.80000109.1Y130 L172 I177V123-Y130 PolarHBondContact N-O 2.84Å; V123-Y130 PolarHBondContact O-N 3.09Å; V123-L172 HydrophobicContact CG1-CB 3.92Å; V123-L172 HydrophobicContact CG1-CD1 4.34Å; V123-L172 HydrophobicContact CG1-CD2 4.34Å; V123-L172 HydrophobicContact CG1-CG 4.43Å; V123-I177 HydrophobicContact CB-CD1 4.14Å; V123-I177 HydrophobicContact CG1-CD1 4.2Å; V123-I177 HydrophobicContact CG1-CG1 4.3Å; V123-I177 HydrophobicContact CG2-CG2 4.07Å
124E97.4Very high97.6Very high78 Ų7835.8 Ų35.836%0.36420%0.201SC..EExtended strand (participates in β ladder)trans-88136.8168.5-169.1-81.8138.700109.9V75 L77 D126 G127 M128V75-E124 HydrophobicContact CG1-CB 3.61Å; V75-E124 HydrophobicContact CG1-CG 4.18Å; L77-E124 HydrophobicContact CD1-CG 4.02Å; E124-D126 PolarHBondContact OE1-N 3.05Å; E124-G127 WeakPolarHBondContact OE1-CA 3.16Å; E124-G127 PolarHBondContact OE1-N 2.91Å; E124-M128 WeakPolarHBondContact CA-O 3.16Å
125R96.9Very high97.6Very high84 Ų8433.8 Ų33.832%0.31719%0.186SC..EExtended strand (participates in β ladder)trans-153.8126.4169.7174.959.9175.8-179.1-4.4110G127 M128 Y130 L172 L197R125-G127 PolarHBondContact O-N 2.83Å; R125-M128 PolarHBondContact N-O 2.95Å; R125-M128 WeakPolarHBondContact O-CB 3.41Å; R125-M128 PolarHBondContact O-N 3.36Å; R125-Y130 HydrophobicContact CB-CD2 4.41Å; R125-Y130 HydrophobicContact CB-CE2 3.96Å; R125-L172 HydrophobicContact CB-CD2 4.3Å; R125-L197 HydrophobicContact CG-CD1 4.01Å
126D95.4Very high97.6Very high120 Ų12029.4 Ų29.464%0.64217%0.166SC*.THydrogen-bonded Turntrans54.537.6173.3-55.1-35.6000113.2E124 M128E124-D126 PolarHBondContact OE1-N 3.05Å; D126-M128 VanDerWaalsContact C-N 3.31Å
127G96.4Very high97.5Very high35 Ų3532 Ų3236%0.36118%0.181SC..THydrogen-bonded Turntrans77.514.2-179.800000114.2E124 R125 P150E124-G127 WeakPolarHBondContact OE1-CA 3.16Å; E124-G127 PolarHBondContact OE1-N 2.91Å; R125-G127 PolarHBondContact O-N 2.83Å; G127-P150 WeakPolarHBondContact O-CD 3.26Å; G127-P150 WeakPolarHBondContact O-CG 3.49Å
128M97.8Very high97.3Very high58 Ų5837.4 Ų37.429%0.28621%0.21SC..EExtended strand (participates in β ladder)trans-117.7152.9174.5-56.3-60.4-168.400110.3E124 R125 D126 Y130 V147 E149E124-M128 WeakPolarHBondContact CA-O 3.16Å; R125-M128 PolarHBondContact N-O 2.95Å; R125-M128 WeakPolarHBondContact O-CB 3.41Å; R125-M128 PolarHBondContact O-N 3.36Å; D126-M128 VanDerWaalsContact C-N 3.31Å; M128-Y130 HydrophobicContact CB-CE2 4.16Å; M128-V147 HydrophobicContact CB-CG2 3.71Å; M128-V147 HydrophobicContact CG-CG2 4.39Å; M128-E149 HydrophobicContact CE-CB 4.31Å; M128-E149 HydrophobicContact CE-CG 3.93Å; M128-E149 HydrophobicContact SD-CB 4.12Å; M128-E149 HydrophobicContact SD-CG 3.93Å
129V98.6Very high97.1Very high0 Ų039.6 Ų39.60%023%0.226CC..EExtended strand (participates in β ladder)trans-115.9119.1178-178.10000110V75 L77 L82 V147 Y148V75-V129 HydrophobicContact CB-CG1 4.37Å; V75-V129 HydrophobicContact CB-CG2 4.41Å; V75-V129 HydrophobicContact CG1-CG1 4.33Å; V75-V129 HydrophobicContact CG1-CG2 3.88Å; V75-V129 HydrophobicContact CG2-CG1 3.93Å; L77-V129 HydrophobicContact CD1-CG2 4.13Å; L77-V129 HydrophobicContact CD2-CG2 3.78Å; L77-V129 HydrophobicContact CG-CG2 4.39Å; L82-V129 HydrophobicContact CD2-CB 4.48Å; L82-V129 HydrophobicContact CD2-CG2 4.2Å; V129-V147 CarbonylContact O-C 3.56Å; V129-V147 WeakPolarHBondContact O-CA 3.36Å; V129-Y148 PolarHBondContact N-O 2.95Å; V129-Y148 PolarHBondContact O-N 2.97Å
130Y98.7Very high97Very high34 Ų3440.2 Ų40.213%0.13323%0.23CC..EExtended strand (participates in β ladder)trans-91.6127175.1-63.8-101.2000108.6T122 V123 R125 M128 C146 V147 L158 I177 L197T122-Y130 CarbonylContact C-O 3.56Å; T122-Y130 WeakPolarHBondContact CA-O 3.47Å; V123-Y130 PolarHBondContact N-O 2.84Å; V123-Y130 PolarHBondContact O-N 3.09Å; R125-Y130 HydrophobicContact CB-CD2 4.41Å; R125-Y130 HydrophobicContact CB-CE2 3.96Å; M128-Y130 HydrophobicContact CB-CE2 4.16Å; Y130-C146 CarbonylContact C-O 3.59Å; Y130-C146 WeakPolarHBondContact CA-O 3.33Å; Y130-V147 HydrophobicContact CD1-CB 4.01Å; Y130-V147 HydrophobicContact CD1-CG2 4.12Å; Y130-V147 HydrophobicContact CD2-CG2 4.32Å; Y130-V147 HydrophobicContact CE1-CB 3.94Å; Y130-V147 HydrophobicContact CE1-CG2 3.84Å; Y130-V147 HydrophobicContact CE2-CG2 4.02Å; Y130-V147 HydrophobicContact CG-CG2 4.34Å; Y130-L158 HydrophobicContact CD1-CD1 3.73Å; Y130-L158 HydrophobicContact CE1-CD1 3.7Å; Y130-I177 HydrophobicContact CD1-CD1 3.96Å; Y130-I177 HydrophobicContact CD2-CD1 4.11Å; Y130-I177 HydrophobicContact CG-CD1 3.66Å; Y130-L197 HydrophobicContact CD1-CD2 4.06Å; Y130-L197 HydrophobicContact CE1-CD2 3.45Å; Y130-L197 VanDerWaalsContact CE1-CD2 3.45Å; Y130-L197 HydrophobicContact CE2-CD2 4.21Å
131A98.6Very high97Very high3 Ų341.4 Ų41.43%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-112.6128.6173.200000109.4L113 V120 A121 T122 V145 C146 W155L113-A131 HydrophobicContact CD2-CB 4.06Å; V120-A131 HydrophobicContact CG1-CB 3.81Å; A121-A131 WeakPolarHBondContact O-CA 3.41Å; T122-A131 HydrophobicContact CG2-CB 4.45Å; A131-V145 WeakPolarHBondContact O-CA 3.32Å; A131-C146 PolarHBondContact N-O 3.08Å; A131-C146 PolarHBondContact O-N 3.35Å; A131-W155 HydrophobicContact CB-CH2 3.8Å; A131-W155 HydrophobicContact CB-CZ3 3.53Å
132L98.6Very high97Very high5 Ų541.6 Ų41.63%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-128.9126.9-172-55.295.4000110.9A121 V145 M161 I177 V179 W202A121-L132 PolarHBondContact N-O 2.82Å; A121-L132 PolarHBondContact O-N 2.83Å; L132-V145 HydrophobicContact CD2-CG1 4.28Å; L132-V145 HydrophobicContact CG-CG1 4.22Å; L132-M161 HydrophobicContact CB-SD 4.08Å; L132-I177 HydrophobicContact CD1-CG2 4.42Å; L132-I177 HydrophobicContact CD2-CG2 4.11Å; L132-V179 HydrophobicContact CD2-CG2 3.85Å; L132-W202 HydrophobicContact CD2-CH2 3.96Å; L132-W202 HydrophobicContact CD2-CZ2 4.35Å
133G98.1Very high97Very high6 Ų641.4 Ų41.46%0.06224%0.237CC..  trans64.4-145.6173.500000113.8Q142 Q144 C165G133-Q142 WeakPolarHBondContact CA-O 3.27Å; G133-Q144 PolarHBondContact N-O 3.36Å; G133-C165 WeakPolarHBondContact CA-O 3.4Å
134G97.8Very high97Very high0 Ų042.5 Ų42.50%024%0.242CC..  trans112.7178.4-17400000111.9M118 Q142 C165M118-G134 CarbonylContact O-C 3.59Å; M118-G134 VanDerWaalsContact O-CA 3.23Å; M118-G134 WeakPolarHBondContact O-CA 3.34Å; G134-Q142 WeakPolarHBondContact O-CB 3.31Å; G134-Q142 PolarHBondContact O-N 2.67Å; G134-C165 PolarHBondContact N-O 3.03Å
135M97.7Very high97Very high25 Ų2538.9 Ų38.912%0.12322%0.224CC..BIsolated β-bridgetrans-124.5126.2178.4-174.7-179.868.900109.5P93 A117 M118 A140 Y166P93-M135 WeakPolarHBondContact CG-O 3.43Å; A117-M135 WeakPolarHBondContact CA-O 3.31Å; M118-M135 HydrophobicContact CG-CB 4.12Å; M118-M135 HydrophobicContact CG-CE 3.89Å; M118-M135 PolarHBondContact N-O 2.82Å; M118-M135 PolarHBondContact O-N 2.98Å; M118-M135 HydrophobicContact SD-CE 3.38Å; M118-M135 WeakPolarHBondContact SD-CE 3.5Å; M135-A140 WeakPolarHBondContact CA-O 3.19Å; M135-Y166 HydrophobicContact CB-CD1 3.92Å; M135-Y166 HydrophobicContact CB-CD2 4.25Å; M135-Y166 HydrophobicContact CB-CE1 4.5Å; M135-Y166 HydrophobicContact CB-CG 3.78Å; M135-Y166 HydrophobicContact CG-CD1 4.38Å; M135-Y166 HydrophobicContact SD-CD1 4.28Å; M135-Y166 HydrophobicContact SD-CE1 3.92Å; M135-Y166 HydrophobicContact SD-CE2 4.36Å
136G96.6Very high97.1Very high2 Ų235 Ų352%0.02121%0.21CC..  trans-78.2173.3-179.800000113.6A116 D138 T139 A140 Q142A116-G136 WeakPolarHBondContact O-CA 3.36Å; G136-D138 PolarHBondContact O-N 2.86Å; G136-T139 WeakPolarHBondContact O-CA 3.36Å; G136-T139 PolarHBondContact O-N 2.96Å; G136-A140 PolarHBondContact N-O 3.48Å; G136-A140 VanDerWaalsContact N-O 3.08Å; G136-Q142 VanDerWaalsContact CA-NE2 3.34Å
137P95.3Very high97.3Very high80 Ų8029.7 Ų29.752%0.51918%0.182SC..THydrogen-bonded Turntrans-60.9-24.4177-2334000114.2P93 A116 T139P93-P137 HydrophobicContact CB-CG 4.29Å; A116-P137 HydrophobicContact CB-CG 4.12Å; P137-T139 PolarHBondContact O-N 2.82Å
138D94.1Very high97.4Very high114 Ų11428 Ų2861%0.6117%0.165SC*.THydrogen-bonded Turntrans-76.85173.166.2-13.7000113.4G136 A140G136-D138 PolarHBondContact O-N 2.86Å; D138-A140 PolarHBondContact O-N 3.28Å; D138-A140 VanDerWaalsContact OD1-CB 3.28Å; D138-A140 WeakPolarHBondContact OD1-CB 3.47Å; D138-A140 PolarHBondContact OD1-N 3Å; D138-A140 WeakPolarHBondContact OD2-CB 3.42Å
139T93.2Very high97.4Very high99 Ų9927.2 Ų27.261%0.60716%0.161SC*.  trans64.19.9-174.573.60000114.5G136 P137G136-T139 WeakPolarHBondContact O-CA 3.36Å; G136-T139 PolarHBondContact O-N 2.96Å; P137-T139 PolarHBondContact O-N 2.82Å
140A94.8Very high97.3Very high35 Ų3529.2 Ų29.229%0.28917%0.174SC..PPolyproline II helixtrans-78.2133.4178.800000110.6M135 G136 D138M135-A140 WeakPolarHBondContact CA-O 3.19Å; G136-A140 PolarHBondContact N-O 3.48Å; G136-A140 VanDerWaalsContact N-O 3.08Å; D138-A140 PolarHBondContact O-N 3.28Å; D138-A140 VanDerWaalsContact OD1-CB 3.28Å; D138-A140 WeakPolarHBondContact OD1-CB 3.47Å; D138-A140 PolarHBondContact OD1-N 3Å; D138-A140 WeakPolarHBondContact OD2-CB 3.42Å
141P97.3Very high97.1Very high39 Ų3939.4 Ų39.425%0.25321%0.212SC..BIsolated β-bridgetrans-68.1134.6169.329.9-33.3000109.5P164 Y166 Q184P141-P164 HydrophobicContact CB-CB 4.16Å; P141-P164 HydrophobicContact CG-CB 4.31Å; P141-P164 WeakPolarHBondContact O-CB 3.39Å; P141-Y166 HydrophobicContact CB-CD1 4.45Å; P141-Q184 HydrophobicContact CB-CG 4.12Å; P141-Q184 HydrophobicContact CG-CB 4.2Å; P141-Q184 HydrophobicContact CG-CG 3.89Å
142Q97.7Very high97.1Very high16 Ų1647 Ų478%0.07524%0.24CC..PPolyproline II helixtrans-97.5147.3-178.6-64.6172.7-1.800110.6A116 G133 G134 G136 M161 P164 C165A116-Q142 PolarHBondContact O-NE2 3.34Å; G133-Q142 WeakPolarHBondContact CA-O 3.27Å; G134-Q142 WeakPolarHBondContact O-CB 3.31Å; G134-Q142 PolarHBondContact O-N 2.67Å; G136-Q142 VanDerWaalsContact CA-NE2 3.34Å; Q142-M161 WeakPolarHBondContact O-CE 3.42Å; Q142-P164 WeakPolarHBondContact O-CA 3.38Å; Q142-C165 PolarHBondContact O-N 2.63Å
143A97.9Very high97.1Very high22 Ų2249.7 Ų49.718%0.18225%0.254CS..  trans-105.72.3170.600000112.3V145 S160 M161 P164A143-V145 PolarHBondContact O-N 3.1Å; A143-S160 CarbonylContact O-C 3.59Å; A143-S160 VanDerWaalsContact O-CA 3.27Å; A143-S160 WeakPolarHBondContact O-CA 3.28Å; A143-S160 VanDerWaalsContact O-CB 3.27Å; A143-S160 WeakPolarHBondContact O-CB 3.38Å; A143-M161 HydrophobicContact CB-CB 4.3Å; A143-M161 WeakPolarHBondContact CB-O 3.36Å; A143-M161 PolarHBondContact O-N 2.83Å; A143-P164 HydrophobicContact CB-CB 3.94Å; A143-P164 HydrophobicContact CB-CG 3.86Å
144Q97.7Very high97.1Very high38 Ų3850.8 Ų50.818%0.17826%0.261CS..  trans-61.5139.2-174.4-176.5170.37000110.8G133G133-Q144 PolarHBondContact N-O 3.36Å
145V98.6Very high97.1Very high1 Ų152.1 Ų52.11%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-128.1126.9173.5-175.40000105.8A131 L132 A143 L158 P159 M161 W202A131-V145 WeakPolarHBondContact O-CA 3.32Å; L132-V145 HydrophobicContact CD2-CG1 4.28Å; L132-V145 HydrophobicContact CG-CG1 4.22Å; A143-V145 PolarHBondContact O-N 3.1Å; V145-L158 HydrophobicContact CB-CB 4.12Å; V145-L158 HydrophobicContact CG1-CB 3.85Å; V145-L158 HydrophobicContact CG1-CD1 4.05Å; V145-L158 PolarHBondContact O-N 2.87Å; V145-P159 WeakPolarHBondContact CG2-O 3.28Å; V145-M161 HydrophobicContact CG2-CG 3.59Å; V145-W202 HydrophobicContact CG2-CZ2 3.69Å
146C98.3Very high97.2Very high2 Ų253.8 Ų53.81%0.01428%0.275CS..EExtended strand (participates in β ladder)trans-139.9152.5176.454.90000110.4Y130 A131 W155 L156Y130-C146 CarbonylContact C-O 3.59Å; Y130-C146 WeakPolarHBondContact CA-O 3.33Å; A131-C146 PolarHBondContact N-O 3.08Å; A131-C146 PolarHBondContact O-N 3.35Å; C146-W155 HydrophobicContact CB-CB 4.41Å; C146-W155 HydrophobicContact CB-CE3 3.85Å; C146-L156 CarbonylContact C-O 3.56Å; C146-L156 WeakPolarHBondContact CA-O 2.99Å; C146-L156 WeakPolarHBondContact CB-O 3.37Å
147V98.6Very high97.2Very high10 Ų1058 Ų586%0.06130%0.304CS..EExtended strand (participates in β ladder)trans-116.3128175.360.30000108.9M128 V129 Y130 W155 L156 L158M128-V147 HydrophobicContact CB-CG2 3.71Å; M128-V147 HydrophobicContact CG-CG2 4.39Å; V129-V147 CarbonylContact O-C 3.56Å; V129-V147 WeakPolarHBondContact O-CA 3.36Å; Y130-V147 HydrophobicContact CD1-CB 4.01Å; Y130-V147 HydrophobicContact CD1-CG2 4.12Å; Y130-V147 HydrophobicContact CD2-CG2 4.32Å; Y130-V147 HydrophobicContact CE1-CB 3.94Å; Y130-V147 HydrophobicContact CE1-CG2 3.84Å; Y130-V147 HydrophobicContact CE2-CG2 4.02Å; Y130-V147 HydrophobicContact CG-CG2 4.34Å; V147-W155 CarbonylContact O-C 3.52Å; V147-W155 WeakPolarHBondContact O-CA 3.05Å; V147-L156 HydrophobicContact CG1-CB 3.91Å; V147-L156 PolarHBondContact N-O 3.27Å; V147-L156 PolarHBondContact O-N 2.93Å; V147-L158 HydrophobicContact CB-CD1 3.95Å; V147-L158 HydrophobicContact CG1-CD1 3.99Å; V147-L158 HydrophobicContact CG1-CD2 4.3Å; V147-L158 HydrophobicContact CG1-CG 4.12Å
148Y98.8Very high97.4Very high0 Ų055.1 Ų55.10%028%0.284CS..EExtended strand (participates in β ladder)trans-86.6125.9174.9-179.1-117.9000109.6L82 R110 A111 V129 P150 D153 W155L82-Y148 HydrophobicContact CD2-CD1 3.88Å; L82-Y148 HydrophobicContact CD2-CE1 4.1Å; R110-Y148 HydrophobicContact CB-CE2 4.5Å; R110-Y148 VanDerWaalsContact CD-OH 3.29Å; R110-Y148 WeakPolarHBondContact CD-OH 3.19Å; R110-Y148 WeakPolarHBondContact CG-OH 3.25Å; A111-Y148 HydrophobicContact CB-CE2 4.34Å; V129-Y148 PolarHBondContact N-O 2.95Å; V129-Y148 PolarHBondContact O-N 2.97Å; Y148-P150 HydrophobicContact CD1-CB 4.49Å; Y148-P150 HydrophobicContact CD1-CG 3.89Å; Y148-P150 HydrophobicContact CE1-CB 3.95Å; Y148-P150 HydrophobicContact CE1-CG 3.84Å; Y148-P150 WeakPolarHBondContact O-CD 3.27Å; Y148-D153 VanDerWaalsContact CE2-OD1 3.27Å; Y148-D153 WeakPolarHBondContact CE2-OD1 3.34Å; Y148-D153 PolarHBondContact OH-OD1 2.89Å; Y148-W155 HydrophobicContact CD2-CD2 4.07Å; Y148-W155 AromaticContact CD2-CE2 3.74Å; Y148-W155 HydrophobicContact CD2-CG 4.3Å; Y148-W155 HydrophobicContact CD2-CZ2 4.15Å; Y148-W155 AromaticContact CD2-NE1 3.73Å; Y148-W155 HydrophobicContact CG-CD2 4.4Å; Y148-W155 HydrophobicContact CG-CH2 4.4Å; Y148-W155 HydrophobicContact CG-CZ2 4.1Å
149E97.9Very high97.6Very high41 Ų4152.7 Ų52.719%0.19227%0.274CS..EExtended strand (participates in β ladder)trans-102100.1173.6-64.1-169.9163.600110.1M128 R151 R152 D153 C154 L156M128-E149 HydrophobicContact CE-CB 4.31Å; M128-E149 HydrophobicContact CE-CG 3.93Å; M128-E149 HydrophobicContact SD-CB 4.12Å; M128-E149 HydrophobicContact SD-CG 3.93Å; E149-R151 VanDerWaalsContact C-N 3.25Å; E149-R151 PolarHBondContact O-N 2.8Å; E149-R151 VanDerWaalsContact O-N 3.15Å; E149-R152 HydrophobicContact CB-CB 4.47Å; E149-R152 PolarHBondContact O-N 2.87Å; E149-R152 VanDerWaalsContact OE2-CD 3.28Å; E149-R152 WeakPolarHBondContact OE2-CD 3.46Å; E149-R152 IonicContact OE2-CZ 2.77Å; E149-R152 IonicContact OE2-NE 2.69Å; E149-R152 IonicContact OE2-NH1 3.79Å; E149-R152 PolarHBondContact OE2-NH1 2.85Å; E149-D153 PolarHBondContact O-N 3.16Å; E149-C154 PolarHBondContact N-O 2.64Å; E149-L156 VanDerWaalsContact CD-CD1 3.42Å; E149-L156 HydrophobicContact CG-CD1 4.15Å; E149-L156 HydrophobicContact CG-CG 4.45Å; E149-L156 WeakPolarHBondContact OE1-CD1 3.46Å
150P96.6Very high97.9Very high42 Ų4251.3 Ų51.327%0.27327%0.269SS..THydrogen-bonded Turntrans-61.9-31.4-170.7-25.335.7000113.9L77 G127 Y148 R152 D153L77-P150 HydrophobicContact CD1-CG 4.48Å; L77-P150 HydrophobicContact CD2-CB 4.18Å; L77-P150 HydrophobicContact CD2-CG 3.4Å; L77-P150 VanDerWaalsContact CD2-CG 3.4Å; L77-P150 HydrophobicContact CG-CG 4.32Å; G127-P150 WeakPolarHBondContact O-CD 3.26Å; G127-P150 WeakPolarHBondContact O-CG 3.49Å; Y148-P150 HydrophobicContact CD1-CB 4.49Å; Y148-P150 HydrophobicContact CD1-CG 3.89Å; Y148-P150 HydrophobicContact CE1-CB 3.95Å; Y148-P150 HydrophobicContact CE1-CG 3.84Å; Y148-P150 WeakPolarHBondContact O-CD 3.27Å; P150-R152 VanDerWaalsContact C-N 3.28Å; P150-R152 PolarHBondContact O-N 2.63Å; P150-D153 PolarHBondContact O-N 3.13Å
151R95.8Very high98Very high248 Ų24850 Ų5094%0.93626%0.257SS*.THydrogen-bonded Turntrans-66.2-29.7179.2-67.5-175.3-179.6174.41.1113.3E149E149-R151 VanDerWaalsContact C-N 3.25Å; E149-R151 PolarHBondContact O-N 2.8Å; E149-R151 VanDerWaalsContact O-N 3.15Å
152R97.6Very high98.1Very high162 Ų16250.1 Ų50.161%0.61126%0.258SS*.THydrogen-bonded Turntrans-105.1-6.4-178.1-70.8172.263.5-1617.8112.4E149 P150 C154E149-R152 HydrophobicContact CB-CB 4.47Å; E149-R152 PolarHBondContact O-N 2.87Å; E149-R152 VanDerWaalsContact OE2-CD 3.28Å; E149-R152 WeakPolarHBondContact OE2-CD 3.46Å; E149-R152 IonicContact OE2-CZ 2.77Å; E149-R152 IonicContact OE2-NE 2.69Å; E149-R152 IonicContact OE2-NH1 3.79Å; E149-R152 PolarHBondContact OE2-NH1 2.85Å; P150-R152 VanDerWaalsContact C-N 3.28Å; P150-R152 PolarHBondContact O-N 2.63Å; R152-C154 VanDerWaalsContact C-N 3.32Å; R152-C154 VanDerWaalsContact CB-SG 3.6Å; R152-C154 PolarHBondContact O-N 2.93Å
153D98.3Very high98.1Very high61 Ų6150.5 Ų50.533%0.32626%0.261SS..THydrogen-bonded Turntrans44.657.1-172-167.928.6000111.4R110 A111 Y148 E149 P150R110-D153 WeakPolarHBondContact CB-OD1 3.43Å; A111-D153 WeakPolarHBondContact CB-O 3.14Å; A111-D153 PolarHBondContact N-OD1 3.4Å; A111-D153 PolarHBondContact N-OD2 3.4Å; Y148-D153 VanDerWaalsContact CE2-OD1 3.27Å; Y148-D153 WeakPolarHBondContact CE2-OD1 3.34Å; Y148-D153 PolarHBondContact OH-OD1 2.89Å; E149-D153 PolarHBondContact O-N 3.16Å; P150-D153 PolarHBondContact O-N 3.13Å
154C98.4Very high98.1Very high29 Ų2951.6 Ų51.620%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-146.1151.4-179.669.40000112.4E149 R152E149-C154 PolarHBondContact N-O 2.64Å; R152-C154 VanDerWaalsContact C-N 3.32Å; R152-C154 VanDerWaalsContact CB-SG 3.6Å; R152-C154 PolarHBondContact O-N 2.93Å
155W98.7Very high98.1Very high28 Ų2850 Ų5011%0.10626%0.26CS..EExtended strand (participates in β ladder)trans-96.9127.8171.6-67.191.3000110.3V84 V97 A111 T112 L113 P114 A131 C146 V147 Y148V84-W155 HydrophobicContact CG1-CH2 4.38Å; V97-W155 HydrophobicContact CG1-CZ2 4.35Å; V97-W155 HydrophobicContact CG2-CZ2 3.89Å; A111-W155 PolarHBondContact O-NE1 2.67Å; T112-W155 PolarHBondContact O-NE1 3.34Å; L113-W155 HydrophobicContact CD2-CD2 4.45Å; L113-W155 HydrophobicContact CD2-CH2 3.87Å; L113-W155 HydrophobicContact CD2-CZ2 3.78Å; L113-W155 HydrophobicContact CD2-CZ3 4.26Å; P114-W155 HydrophobicContact CG-CB 4.14Å; A131-W155 HydrophobicContact CB-CH2 3.8Å; A131-W155 HydrophobicContact CB-CZ3 3.53Å; C146-W155 HydrophobicContact CB-CB 4.41Å; C146-W155 HydrophobicContact CB-CE3 3.85Å; V147-W155 CarbonylContact O-C 3.52Å; V147-W155 WeakPolarHBondContact O-CA 3.05Å; Y148-W155 HydrophobicContact CD2-CD2 4.07Å; Y148-W155 AromaticContact CD2-CE2 3.74Å; Y148-W155 HydrophobicContact CD2-CG 4.3Å; Y148-W155 HydrophobicContact CD2-CZ2 4.15Å; Y148-W155 AromaticContact CD2-NE1 3.73Å; Y148-W155 HydrophobicContact CG-CD2 4.4Å; Y148-W155 HydrophobicContact CG-CH2 4.4Å; Y148-W155 HydrophobicContact CG-CZ2 4.1Å
156L98.4Very high98Very high60 Ų6051.4 Ų51.431%0.31427%0.265SS..EExtended strand (participates in β ladder)trans-102131.9171.5-57.5-176.4000109.7C146 V147 E149C146-L156 CarbonylContact C-O 3.56Å; C146-L156 WeakPolarHBondContact CA-O 2.99Å; C146-L156 WeakPolarHBondContact CB-O 3.37Å; V147-L156 HydrophobicContact CG1-CB 3.91Å; V147-L156 PolarHBondContact N-O 3.27Å; V147-L156 PolarHBondContact O-N 2.93Å; E149-L156 VanDerWaalsContact CD-CD1 3.42Å; E149-L156 HydrophobicContact CG-CD1 4.15Å; E149-L156 HydrophobicContact CG-CG 4.45Å; E149-L156 WeakPolarHBondContact OE1-CD1 3.46Å
157S98.3Very high97.9Very high92 Ų9253.6 Ų53.664%0.64329%0.288SS*.EExtended strand (participates in β ladder)trans-70.7138.5175-63.20000111.2
158L98.5Very high97.8Very high19 Ų1953.9 Ų53.910%0.09929%0.292CS..EExtended strand (participates in β ladder)trans-116.7166.2171.9-65176000109.4Y130 V145 V147 S160 F195Y130-L158 HydrophobicContact CD1-CD1 3.73Å; Y130-L158 HydrophobicContact CE1-CD1 3.7Å; V145-L158 HydrophobicContact CB-CB 4.12Å; V145-L158 HydrophobicContact CG1-CB 3.85Å; V145-L158 HydrophobicContact CG1-CD1 4.05Å; V145-L158 PolarHBondContact O-N 2.87Å; V147-L158 HydrophobicContact CB-CD1 3.95Å; V147-L158 HydrophobicContact CG1-CD1 3.99Å; V147-L158 HydrophobicContact CG1-CD2 4.3Å; V147-L158 HydrophobicContact CG1-CG 4.12Å; L158-S160 PolarHBondContact O-N 3.43Å; L158-F195 HydrophobicContact CB-CZ 4.19Å; L158-F195 HydrophobicContact CD1-CE1 3.95Å; L158-F195 HydrophobicContact CD1-CZ 4.15Å
159P98.6Very high97.7Very high62 Ų6255.5 Ų55.540%0.40330%0.303SS..PPolyproline II helixtrans-53.1129.3174.2-31.441.5000111.5V145 F195 R200 W202V145-P159 WeakPolarHBondContact CG2-O 3.28Å; P159-F195 HydrophobicContact CB-CE2 4.41Å; P159-F195 HydrophobicContact CG-CE2 4.49Å; P159-R200 WeakPolarHBondContact CG-O 3.45Å; P159-W202 PolarHBondContact O-NE1 2.85Å
160S98.5Very high97.7Very high71 Ų7155.1 Ų55.150%0.49730%0.304SS..PPolyproline II helixtrans-64.8152.4-175.7-57.70000112.5A143 L158 W202A143-S160 CarbonylContact O-C 3.59Å; A143-S160 VanDerWaalsContact O-CA 3.27Å; A143-S160 WeakPolarHBondContact O-CA 3.28Å; A143-S160 VanDerWaalsContact O-CB 3.27Å; A143-S160 WeakPolarHBondContact O-CB 3.38Å; L158-S160 PolarHBondContact O-N 3.43Å; S160-W202 VanDerWaalsContact O-CD1 3.28Å; S160-W202 PolarHBondContact O-NE1 3.35Å; S160-W202 VanDerWaalsContact O-NE1 3.09Å
161M98.3Very high97.7Very high8 Ų854.7 Ų54.74%0.03930%0.297CS..PPolyproline II helixtrans-56.9136.5172.9-60.4-169.5-61.900110.2L132 Q142 A143 V145 T163 V179 W202L132-M161 HydrophobicContact CB-SD 4.08Å; Q142-M161 WeakPolarHBondContact O-CE 3.42Å; A143-M161 HydrophobicContact CB-CB 4.3Å; A143-M161 WeakPolarHBondContact CB-O 3.36Å; A143-M161 PolarHBondContact O-N 2.83Å; V145-M161 HydrophobicContact CG2-CG 3.59Å; M161-T163 PolarHBondContact O-N 3.18Å; M161-V179 HydrophobicContact SD-CG1 4.13Å; M161-V179 HydrophobicContact SD-CG2 4.47Å; M161-W202 HydrophobicContact CB-CH2 4.36Å; M161-W202 HydrophobicContact CB-CZ2 4.25Å; M161-W202 HydrophobicContact CG-CH2 3.65Å; M161-W202 HydrophobicContact CG-CZ2 3.63Å; M161-W202 HydrophobicContact CG-CZ3 4.5Å; M161-W202 HydrophobicContact SD-CH2 4.42Å
162P98.4Very high97.7Very high41 Ų4146 Ų4627%0.26627%0.269SS..SBendtrans-63.7-23.7176.2-2028000113.5E193 W202 R204P162-E193 WeakPolarHBondContact CB-OE1 3.43Å; P162-E193 VanDerWaalsContact CD-OE2 3.29Å; P162-E193 WeakPolarHBondContact CD-OE2 3.4Å; P162-W202 VanDerWaalsContact CD-CG 3.48Å; P162-W202 HydrophobicContact CG-CB 3.52Å; P162-W202 HydrophobicContact CG-CD2 4.08Å; P162-W202 HydrophobicContact CG-CE3 4.31Å; P162-W202 HydrophobicContact CG-CG 3.75Å; P162-R204 HydrophobicContact CB-CG 4.42Å; P162-R204 PolarHBondContact O-NH2 2.97Å
163T98.1Very high97.6Very high24 Ų2442.2 Ų42.215%0.14726%0.258CS..SBendtrans-124114.5171.6-69.30000111.4M161 C165 V189 A191 E193 R204M161-T163 PolarHBondContact O-N 3.18Å; T163-C165 PolarHBondContact O-N 3.44Å; T163-V189 HydrophobicContact CG2-CG1 3.87Å; T163-A191 HydrophobicContact CG2-CB 4.06Å; T163-E193 PolarHBondContact N-OE2 2.9Å; T163-E193 VanDerWaalsContact N-OE2 3.14Å; T163-E193 PolarHBondContact OG1-OE1 3.15Å; T163-R204 PolarHBondContact OG1-NH1 3.03Å
164P97.8Very high97.3Very high45 Ų4542 Ų4229%0.29227%0.27SS..  trans-60.7132.4174.8-15.522.9000111.4P141 Q142 A143 Q184P141-P164 HydrophobicContact CB-CB 4.16Å; P141-P164 HydrophobicContact CG-CB 4.31Å; P141-P164 WeakPolarHBondContact O-CB 3.39Å; Q142-P164 WeakPolarHBondContact O-CA 3.38Å; A143-P164 HydrophobicContact CB-CB 3.94Å; A143-P164 HydrophobicContact CB-CG 3.86Å; P164-Q184 WeakPolarHBondContact O-CG 3.39Å; P164-Q184 PolarHBondContact O-NE2 3.02Å
165C97.8Very high97.2Very high5 Ų542.5 Ų42.53%0.03427%0.271CS..  trans-159.8164178.863.30000112.5G133 G134 Q142 T163 R183 V189G133-C165 WeakPolarHBondContact CA-O 3.4Å; G134-C165 PolarHBondContact N-O 3.03Å; Q142-C165 PolarHBondContact O-N 2.63Å; T163-C165 PolarHBondContact O-N 3.44Å; C165-R183 WeakPolarHBondContact CA-O 3.46Å; C165-V189 HydrophobicContact CB-CG2 4.08Å
166Y97.3Very high97.2Very high29 Ų2943.9 Ų43.911%0.11428%0.278CS..BIsolated β-bridgetrans-131155170.170.7-82.5000111M135 P141 A168 G182 R183 G185M135-Y166 HydrophobicContact CB-CD1 3.92Å; M135-Y166 HydrophobicContact CB-CD2 4.25Å; M135-Y166 HydrophobicContact CB-CE1 4.5Å; M135-Y166 HydrophobicContact CB-CG 3.78Å; M135-Y166 HydrophobicContact CG-CD1 4.38Å; M135-Y166 HydrophobicContact SD-CD1 4.28Å; M135-Y166 HydrophobicContact SD-CE1 3.92Å; M135-Y166 HydrophobicContact SD-CE2 4.36Å; P141-Y166 HydrophobicContact CB-CD1 4.45Å; Y166-A168 PolarHBondContact O-N 2.95Å; Y166-G182 CarbonylContact O-C 3.58Å; Y166-G182 VanDerWaalsContact O-CA 3.27Å; Y166-G182 WeakPolarHBondContact O-CA 3.46Å; Y166-R183 HydrophobicContact CD1-CB 3.96Å; Y166-R183 WeakPolarHBondContact CD1-O 3.45Å; Y166-R183 HydrophobicContact CD2-CB 4.48Å; Y166-R183 HydrophobicContact CE1-CB 3.43Å; Y166-R183 VanDerWaalsContact CE1-CB 3.43Å; Y166-R183 WeakPolarHBondContact CE1-O 3.49Å; Y166-R183 HydrophobicContact CE2-CB 4.05Å; Y166-R183 HydrophobicContact CG-CB 4.45Å; Y166-R183 VanDerWaalsContact CZ-CB 3.49Å; Y166-R183 PolarHBondContact N-O 2.71Å; Y166-R183 VanDerWaalsContact N-O 3.15Å; Y166-R183 PolarHBondContact O-N 2.79Å; Y166-R183 PolarHBondContact OH-NE 3.49Å; Y166-G185 PolarHBondContact OH-O 2.96Å
167G95.6Very high97.2Very high49 Ų4941 Ų4151%0.50526%0.263SS..SBendtrans62.331.6-177.700000113G119 G182G119-G167 PolarHBondContact O-N 3.26Å; G167-G182 WeakPolarHBondContact O-CA 3.37Å
168A96.7Very high97.2Very high16 Ų1637.5 Ų37.513%0.13224%0.235CC..  trans-75149.9176.200000111.2Y166 V179Y166-A168 PolarHBondContact O-N 2.95Å; A168-V179 HydrophobicContact CB-CG1 3.74Å
169S96.5Very high97.2Very high34 Ų3436.8 Ų36.824%0.23823%0.232CC..EExtended strand (participates in β ladder)trans-82.1134.6169.3-58.60000109.3L180 C217S169-L180 PolarHBondContact N-O 2.88Å; S169-L180 PolarHBondContact O-N 3.06Å; S169-C217 WeakPolarHBondContact OG-CB 3.06Å
170T97.1Very high97.1Very high33 Ų3333.9 Ų33.920%0.20221%0.213CC..EExtended strand (participates in β ladder)trans-123.1143.3177.952.20000111.8A121 Y178 V179A121-T170 HydrophobicContact CB-CG2 3.45Å; A121-T170 VanDerWaalsContact CB-CG2 3.45Å; T170-Y178 CarbonylContact C-O 3.6Å; T170-Y178 WeakPolarHBondContact CA-O 3.26Å; T170-V179 HydrophobicContact CG2-CG1 4.36Å; T170-V179 HydrophobicContact CG2-CG2 4.12Å
171F96.3Very high96.9Very high32 Ų3230.9 Ų30.914%0.1419%0.193CC..EExtended strand (participates in β ladder)trans-138.5128-180-50.1-77.4000109.8Y178 L180 C217 M219 V224F171-Y178 PolarHBondContact N-O 3.03Å; F171-Y178 PolarHBondContact O-N 3.49Å; F171-L180 HydrophobicContact CE2-CB 4.47Å; F171-C217 HydrophobicContact CE2-CB 4.2Å; F171-C217 HydrophobicContact CZ-CB 3.74Å; F171-M219 HydrophobicContact CB-CB 4.23Å; F171-M219 HydrophobicContact CB-CE 3.45Å; F171-M219 VanDerWaalsContact CB-CE 3.45Å; F171-M219 HydrophobicContact CB-SD 3.86Å; F171-M219 HydrophobicContact CD1-CB 3.62Å; F171-M219 HydrophobicContact CD2-CE 4.29Å; F171-M219 HydrophobicContact CE1-CB 4.13Å; F171-M219 HydrophobicContact CG-CB 3.88Å; F171-M219 HydrophobicContact CG-CE 3.98Å; F171-M219 HydrophobicContact CG-SD 4.48Å; F171-V224 HydrophobicContact CD2-CG1 4.41Å; F171-V224 HydrophobicContact CE2-CG1 3.99Å
172L95.9Very high96.8Very high67 Ų6731.2 Ų31.235%0.35120%0.199SC..EExtended strand (participates in β ladder)trans-88124.1170-178.368.3000109.1V123 R125 I177 L197V123-L172 HydrophobicContact CG1-CB 3.92Å; V123-L172 HydrophobicContact CG1-CD1 4.34Å; V123-L172 HydrophobicContact CG1-CD2 4.34Å; V123-L172 HydrophobicContact CG1-CG 4.43Å; R125-L172 HydrophobicContact CB-CD2 4.3Å; L172-I177 HydrophobicContact CD1-CG1 4.09Å; L172-L197 HydrophobicContact CD1-CD1 4.04Å
173H95.3Very high96.6Very high82 Ų8232.7 Ų32.738%0.3820%0.199SC..EExtended strand (participates in β ladder)trans-144.6119.5174.9-177.183.3000110.7N175 K176 Y178 M219H173-N175 PolarHBondContact O-N 3.21Å; H173-K176 PolarHBondContact N-O 3.17Å; H173-K176 PolarHBondContact O-N 3.3Å; H173-K176 VanDerWaalsContact O-N 3.09Å; H173-Y178 HydrophobicContact CB-CD2 4.1Å; H173-Y178 HydrophobicContact CB-CE2 3.84Å; H173-M219 HydrophobicContact CB-CE 4.15Å; H173-M219 HydrophobicContact CB-SD 3.73Å
174G94.1Very high96.4Very high56 Ų5635.2 Ų35.258%0.57721%0.21SC*.THydrogen-bonded Turntrans57.2-124.9-170.600000110.9
175N95.9Very high95.9Very high40 Ų4034.6 Ų34.621%0.21421%0.211CC..THydrogen-bonded Turntrans-94.814.9179.1-167.250.1000113.9H173 D196 L197 E198H173-N175 PolarHBondContact O-N 3.21Å; N175-D196 PolarHBondContact ND2-OD1 3.01Å; N175-L197 WeakPolarHBondContact O-CB 3.48Å; N175-L197 WeakPolarHBondContact O-CG 3.39Å; N175-L197 PolarHBondContact O-N 3.21Å; N175-L197 WeakPolarHBondContact OD1-CB 3.15Å; N175-E198 WeakPolarHBondContact ND2-CB 3.39Å; N175-E198 WeakPolarHBondContact ND2-CG 3.17Å; N175-E198 PolarHBondContact ND2-N 2.84Å
176K97.8Very high95.2Very high56 Ų5643.2 Ų43.224%0.24325%0.248CC..EExtended strand (participates in β ladder)trans-124.5138.4-172.7-62.8-176.5-171.6-66.70112.6H173 Y178 A194 F195 D196H173-K176 PolarHBondContact N-O 3.17Å; H173-K176 PolarHBondContact O-N 3.3Å; H173-K176 VanDerWaalsContact O-N 3.09Å; K176-Y178 HydrophobicContact CB-CD2 4.18Å; K176-Y178 HydrophobicContact CB-CE2 3.64Å; K176-Y178 HydrophobicContact CD-CE2 4.49Å; K176-A194 HydrophobicContact CD-CB 4.29Å; K176-F195 CarbonylContact C-O 3.51Å; K176-F195 VanDerWaalsContact CA-O 3.23Å; K176-F195 WeakPolarHBondContact CA-O 3.36Å; K176-D196 IonicContact NZ-OD2 3.77Å; K176-D196 PolarHBondContact NZ-OD2 3.47Å
177I98.4Very high94.8Very high0 Ų046.3 Ų46.30%027%0.266CS..EExtended strand (participates in β ladder)trans-95.8111.9164.7-60176.1000107.6V123 Y130 L132 L172 V179 A194 F195 L197V123-I177 HydrophobicContact CB-CD1 4.14Å; V123-I177 HydrophobicContact CG1-CD1 4.2Å; V123-I177 HydrophobicContact CG1-CG1 4.3Å; V123-I177 HydrophobicContact CG2-CG2 4.07Å; Y130-I177 HydrophobicContact CD1-CD1 3.96Å; Y130-I177 HydrophobicContact CD2-CD1 4.11Å; Y130-I177 HydrophobicContact CG-CD1 3.66Å; L132-I177 HydrophobicContact CD1-CG2 4.42Å; L132-I177 HydrophobicContact CD2-CG2 4.11Å; L172-I177 HydrophobicContact CD1-CG1 4.09Å; I177-V179 HydrophobicContact CG2-CG2 4.42Å; I177-A194 CarbonylContact O-C 3.5Å; I177-A194 WeakPolarHBondContact O-CA 3.23Å; I177-F195 HydrophobicContact CB-CB 4.5Å; I177-F195 PolarHBondContact N-O 2.91Å; I177-F195 PolarHBondContact O-N 3.26Å; I177-L197 HydrophobicContact CD1-CD2 3.8Å; I177-L197 HydrophobicContact CG1-CD1 4.43Å; I177-L197 HydrophobicContact CG1-CD2 4.08Å; I177-L197 HydrophobicContact CG1-CG 4.42Å
178Y98.2Very high94.6Very high18 Ų1844.3 Ų44.37%0.07124%0.244CC..EExtended strand (participates in β ladder)trans-87132.6173.8-69.3-92.3000109.8T170 F171 H173 K176 F192 E193 A194 H205 M219 L253T170-Y178 CarbonylContact C-O 3.6Å; T170-Y178 WeakPolarHBondContact CA-O 3.26Å; F171-Y178 PolarHBondContact N-O 3.03Å; F171-Y178 PolarHBondContact O-N 3.49Å; H173-Y178 HydrophobicContact CB-CD2 4.1Å; H173-Y178 HydrophobicContact CB-CE2 3.84Å; K176-Y178 HydrophobicContact CB-CD2 4.18Å; K176-Y178 HydrophobicContact CB-CE2 3.64Å; K176-Y178 HydrophobicContact CD-CE2 4.49Å; Y178-F192 HydrophobicContact CD1-CE1 4.43Å; Y178-F192 AromaticContact CD1-CE2 3.74Å; Y178-F192 HydrophobicContact CD1-CE2 3.74Å; Y178-F192 AromaticContact CD1-CZ 3.48Å; Y178-F192 HydrophobicContact CD1-CZ 3.48Å; Y178-F192 VanDerWaalsContact CD1-CZ 3.48Å; Y178-F192 HydrophobicContact CE1-CZ 4.15Å; Y178-F192 HydrophobicContact CG-CE2 4.29Å; Y178-F192 HydrophobicContact CG-CZ 4.32Å; Y178-E193 CarbonylContact C-O 3.56Å; Y178-E193 WeakPolarHBondContact CA-O 3.11Å; Y178-A194 HydrophobicContact CD1-CB 3.71Å; Y178-A194 HydrophobicContact CE1-CB 3.71Å; Y178-A194 HydrophobicContact CG-CB 4.31Å; Y178-H205 AromaticContact CE1-NE2 3.79Å; Y178-M219 HydrophobicContact CD2-CE 4.03Å; Y178-M219 HydrophobicContact CG-CE 4.22Å; Y178-L253 HydrophobicContact CD1-CD2 4.09Å; Y178-L253 HydrophobicContact CE1-CD2 3.43Å; Y178-L253 VanDerWaalsContact CE1-CD2 3.43Å; Y178-L253 HydrophobicContact CE2-CD1 4.48Å
179V98.2Very high94.6Very high5 Ų544.3 Ų44.33%0.0324%0.242CC..EExtended strand (participates in β ladder)trans-119.4123.4178-171.80000108.4L132 M161 A168 T170 I177 F192 E193 W202L132-V179 HydrophobicContact CD2-CG2 3.85Å; M161-V179 HydrophobicContact SD-CG1 4.13Å; M161-V179 HydrophobicContact SD-CG2 4.47Å; A168-V179 HydrophobicContact CB-CG1 3.74Å; T170-V179 HydrophobicContact CG2-CG1 4.36Å; T170-V179 HydrophobicContact CG2-CG2 4.12Å; I177-V179 HydrophobicContact CG2-CG2 4.42Å; V179-F192 WeakPolarHBondContact O-CA 3.41Å; V179-F192 WeakPolarHBondContact O-CD2 3.44Å; V179-E193 PolarHBondContact N-O 3.09Å; V179-E193 PolarHBondContact O-N 3.01Å; V179-W202 HydrophobicContact CG2-CH2 3.77Å; V179-W202 HydrophobicContact CG2-CZ3 3.9Å
180L97.3Very high94.5Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-128.8126.3-176.9-178.764.5000111.3S169 F171 F192 L208 C217 V224 W258S169-L180 PolarHBondContact N-O 2.88Å; S169-L180 PolarHBondContact O-N 3.06Å; F171-L180 HydrophobicContact CE2-CB 4.47Å; L180-F192 HydrophobicContact CB-CD2 3.94Å; L180-F192 HydrophobicContact CB-CE2 4.36Å; L180-F192 HydrophobicContact CD1-CB 3.73Å; L180-F192 HydrophobicContact CD1-CD2 3.69Å; L180-F192 HydrophobicContact CD1-CG 3.88Å; L180-F192 HydrophobicContact CG-CD2 4.35Å; L180-L208 HydrophobicContact CD1-CD1 3.64Å; L180-L208 HydrophobicContact CD1-CD2 4.16Å; L180-L208 HydrophobicContact CD1-CG 3.7Å; L180-L208 HydrophobicContact CG-CD1 4.14Å; L180-C217 HydrophobicContact CD2-CB 4.05Å; L180-V224 HydrophobicContact CD2-CG1 3.59Å; L180-W258 HydrophobicContact CD1-CH2 4.06Å; L180-W258 HydrophobicContact CD1-CZ2 3.88Å; L180-W258 HydrophobicContact CD2-CH2 4.04Å
181G95.1Very high94.5Very high8 Ų843.3 Ų43.38%0.08224%0.236CC..  trans70.8-134.3168.300000113.9V189 A191G181-V189 VanDerWaalsContact CA-O 3.31Å; G181-V189 WeakPolarHBondContact CA-O 3.2Å; G181-V189 WeakPolarHBondContact O-CB 3.25Å; G181-V189 WeakPolarHBondContact O-CG1 3.18Å; G181-A191 PolarHBondContact N-O 2.82Å; G181-A191 VanDerWaalsContact N-O 3.1Å
182G94.9Very high94.6Very high16 Ų1641.9 Ų41.917%0.16523%0.23CC..  trans87.1-155.5-169.200000112.6Y166 G167 P188 V189Y166-G182 CarbonylContact O-C 3.58Å; Y166-G182 VanDerWaalsContact O-CA 3.27Å; Y166-G182 WeakPolarHBondContact O-CA 3.46Å; G167-G182 WeakPolarHBondContact O-CA 3.37Å; G182-P188 WeakPolarHBondContact O-CA 3.4Å; G182-V189 PolarHBondContact O-N 3.25Å
183R94Very high94.7Very high71 Ų7138.9 Ų38.927%0.26821%0.214SC..EExtended strand (participates in β ladder)trans-138.9151.3-171-65.6175.865.2154.7-1.1113.1C165 Y166 G185 L187C165-R183 WeakPolarHBondContact CA-O 3.46Å; Y166-R183 HydrophobicContact CD1-CB 3.96Å; Y166-R183 WeakPolarHBondContact CD1-O 3.45Å; Y166-R183 HydrophobicContact CD2-CB 4.48Å; Y166-R183 HydrophobicContact CE1-CB 3.43Å; Y166-R183 VanDerWaalsContact CE1-CB 3.43Å; Y166-R183 WeakPolarHBondContact CE1-O 3.49Å; Y166-R183 HydrophobicContact CE2-CB 4.05Å; Y166-R183 HydrophobicContact CG-CB 4.45Å; Y166-R183 VanDerWaalsContact CZ-CB 3.49Å; Y166-R183 PolarHBondContact N-O 2.71Å; Y166-R183 VanDerWaalsContact N-O 3.15Å; Y166-R183 PolarHBondContact O-N 2.79Å; Y166-R183 PolarHBondContact OH-NE 3.49Å; R183-G185 PolarHBondContact NE-O 3.05Å; R183-G185 PolarHBondContact NH2-O 2.9Å; R183-L187 WeakPolarHBondContact CA-O 3.44Å
184Q93.4Very high94.9Very high78 Ų7835 Ų3536%0.36420%0.196SC..EExtended strand (participates in β ladder)trans-12697.3164.9-74-178.8-29.200107.3P141 P164 K186 L187 V189P141-Q184 HydrophobicContact CB-CG 4.12Å; P141-Q184 HydrophobicContact CG-CB 4.2Å; P141-Q184 HydrophobicContact CG-CG 3.89Å; P164-Q184 WeakPolarHBondContact O-CG 3.39Å; P164-Q184 PolarHBondContact O-NE2 3.02Å; Q184-K186 PolarHBondContact O-N 2.66Å; Q184-L187 PolarHBondContact N-O 2.91Å; Q184-L187 PolarHBondContact O-N 3.34Å; Q184-V189 HydrophobicContact CB-CG2 4.24Å; Q184-V189 HydrophobicContact CG-CG2 3.63Å
185G87.8Confident95.1Very high31 Ų3132.4 Ų32.432%0.3217%0.169SC..THydrogen-bonded Turntrans54.2-117-167.200000112.8Y166 R183Y166-G185 PolarHBondContact OH-O 2.96Å; R183-G185 PolarHBondContact NE-O 3.05Å; R183-G185 PolarHBondContact NH2-O 2.9Å
186K83.1Confident95.2Very high187 Ų18731.6 Ų31.681%0.81317%0.165SC*.THydrogen-bonded Turntrans-84.4-9.5-179.6-63.5-176.4-177.8177.90113.7Q184Q184-K186 PolarHBondContact O-N 2.66Å
187L88.9Confident95.2Very high94 Ų9429.9 Ų29.949%0.49216%0.158SC..EExtended strand (participates in β ladder)trans-98129.5-173.9-59.8178.5000110.7R183 Q184R183-L187 WeakPolarHBondContact CA-O 3.44Å; Q184-L187 PolarHBondContact N-O 2.91Å; Q184-L187 PolarHBondContact O-N 3.34Å
188P92.6Very high95.1Very high6 Ų637.4 Ų37.44%0.03919%0.193CC..EExtended strand (participates in β ladder)trans-74.2141.3170.528.1-28.1000110.1G182 R211 R212 A213 Q232G182-P188 WeakPolarHBondContact O-CA 3.4Å; P188-R211 HydrophobicContact CG-CG 3.51Å; P188-R212 WeakPolarHBondContact CB-O 3.45Å; P188-A213 HydrophobicContact CB-CB 4.35Å; P188-A213 HydrophobicContact CG-CB 4.29Å; P188-Q232 HydrophobicContact CG-CG 4.07Å
189V95.1Very high95.1Very high16 Ų1639.4 Ų39.410%0.09721%0.213CC..PPolyproline II helixtrans-86.3141.5179.6172.30000108.9T163 C165 G181 G182 Q184 A191T163-V189 HydrophobicContact CG2-CG1 3.87Å; C165-V189 HydrophobicContact CB-CG2 4.08Å; G181-V189 VanDerWaalsContact CA-O 3.31Å; G181-V189 WeakPolarHBondContact CA-O 3.2Å; G181-V189 WeakPolarHBondContact O-CB 3.25Å; G181-V189 WeakPolarHBondContact O-CG1 3.18Å; G182-V189 PolarHBondContact O-N 3.25Å; Q184-V189 HydrophobicContact CB-CG2 4.24Å; Q184-V189 HydrophobicContact CG-CG2 3.63Å; V189-A191 HydrophobicContact CG1-CB 3.7Å
190T95.8Very high95Very high34 Ų3446.4 Ų46.421%0.20924%0.239CC..  trans-110.30.5176.1550000112.7S207 L208 R211T190-S207 CarbonylContact O-C 3.52Å; T190-S207 VanDerWaalsContact O-CA 3.27Å; T190-S207 WeakPolarHBondContact O-CA 3.24Å; T190-S207 VanDerWaalsContact O-CB 3.32Å; T190-S207 WeakPolarHBondContact O-CB 3.44Å; T190-L208 HydrophobicContact CG2-CB 4.18Å; T190-L208 PolarHBondContact O-N 2.86Å; T190-R211 HydrophobicContact CG2-CB 4.16Å
191A97.3Very high95.1Very high13 Ų1350 Ų5011%0.10726%0.261CS..  trans-62140.7179.500000110.7T163 G181 V189 E193T163-A191 HydrophobicContact CG2-CB 4.06Å; G181-A191 PolarHBondContact N-O 2.82Å; G181-A191 VanDerWaalsContact N-O 3.1Å; V189-A191 HydrophobicContact CG1-CB 3.7Å; A191-E193 HydrophobicContact CB-CG 4.16Å
192F97.9Very high95.3Very high1 Ų151.6 Ų51.60%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-129.1115.3170.8-177.6-140.9000108.3Y178 V179 L180 H205 V224 F251 L253 W258Y178-F192 HydrophobicContact CD1-CE1 4.43Å; Y178-F192 AromaticContact CD1-CE2 3.74Å; Y178-F192 HydrophobicContact CD1-CE2 3.74Å; Y178-F192 AromaticContact CD1-CZ 3.48Å; Y178-F192 HydrophobicContact CD1-CZ 3.48Å; Y178-F192 VanDerWaalsContact CD1-CZ 3.48Å; Y178-F192 HydrophobicContact CE1-CZ 4.15Å; Y178-F192 HydrophobicContact CG-CE2 4.29Å; Y178-F192 HydrophobicContact CG-CZ 4.32Å; V179-F192 WeakPolarHBondContact O-CA 3.41Å; V179-F192 WeakPolarHBondContact O-CD2 3.44Å; L180-F192 HydrophobicContact CB-CD2 3.94Å; L180-F192 HydrophobicContact CB-CE2 4.36Å; L180-F192 HydrophobicContact CD1-CB 3.73Å; L180-F192 HydrophobicContact CD1-CD2 3.69Å; L180-F192 HydrophobicContact CD1-CG 3.88Å; L180-F192 HydrophobicContact CG-CD2 4.35Å; F192-H205 HydrophobicContact CB-CB 4.29Å; F192-H205 HydrophobicContact CD1-CB 3.43Å; F192-H205 VanDerWaalsContact CD1-CB 3.43Å; F192-H205 AromaticContact CD1-CG 3.98Å; F192-H205 HydrophobicContact CE1-CB 4.01Å; F192-H205 HydrophobicContact CG-CB 4.09Å; F192-H205 WeakPolarHBondContact O-CB 3.34Å; F192-H205 PolarHBondContact O-N 3.09Å; F192-V224 HydrophobicContact CE2-CG2 4.44Å; F192-V224 HydrophobicContact CZ-CB 4.47Å; F192-V224 HydrophobicContact CZ-CG2 3.94Å; F192-F251 HydrophobicContact CD1-CD1 4.32Å; F192-F251 HydrophobicContact CD1-CD2 4.07Å; F192-F251 HydrophobicContact CD1-CE1 4.36Å; F192-F251 HydrophobicContact CD1-CE2 4.11Å; F192-F251 HydrophobicContact CD1-CG 4.15Å; F192-F251 HydrophobicContact CD1-CZ 4.23Å; F192-F251 HydrophobicContact CE1-CB 4.32Å; F192-F251 AromaticContact CE1-CD1 3.48Å; F192-F251 HydrophobicContact CE1-CD1 3.48Å; F192-F251 VanDerWaalsContact CE1-CD1 3.48Å; F192-F251 HydrophobicContact CE1-CD2 4.04Å; F192-F251 AromaticContact CE1-CE1 3.61Å; F192-F251 HydrophobicContact CE1-CE1 3.61Å; F192-F251 HydrophobicContact CE1-CE2 4.15Å; F192-F251 AromaticContact CE1-CG 3.67Å; F192-F251 HydrophobicContact CE1-CG 3.67Å; F192-F251 AromaticContact CE1-CZ 3.93Å; F192-F251 HydrophobicContact CE1-CZ 3.93Å; F192-F251 HydrophobicContact CZ-CD1 4.3Å; F192-L253 HydrophobicContact CZ-CD2 4.24Å; F192-W258 HydrophobicContact CB-CZ2 4.22Å; F192-W258 AromaticContact CD1-CZ2 3.86Å; F192-W258 HydrophobicContact CD1-CZ2 3.86Å; F192-W258 HydrophobicContact CE1-CZ2 4.49Å; F192-W258 HydrophobicContact CG-CZ2 4.07Å
193E98.2Very high95.4Very high5 Ų553.7 Ų53.72%0.02328%0.275CS..EExtended strand (participates in β ladder)trans-138146.8-165.3-50.8-172.3141.700109.3P162 T163 Y178 V179 A191 W202 T203 R204P162-E193 WeakPolarHBondContact CB-OE1 3.43Å; P162-E193 VanDerWaalsContact CD-OE2 3.29Å; P162-E193 WeakPolarHBondContact CD-OE2 3.4Å; T163-E193 PolarHBondContact N-OE2 2.9Å; T163-E193 VanDerWaalsContact N-OE2 3.14Å; T163-E193 PolarHBondContact OG1-OE1 3.15Å; Y178-E193 CarbonylContact C-O 3.56Å; Y178-E193 WeakPolarHBondContact CA-O 3.11Å; V179-E193 PolarHBondContact N-O 3.09Å; V179-E193 PolarHBondContact O-N 3.01Å; A191-E193 HydrophobicContact CB-CG 4.16Å; E193-W202 HydrophobicContact CB-CE3 3.91Å; E193-W202 HydrophobicContact CB-CZ3 3.94Å; E193-T203 CarbonylContact C-O 3.59Å; E193-T203 WeakPolarHBondContact CA-O 3.35Å; E193-R204 HydrophobicContact CG-CG 4.47Å; E193-R204 IonicContact OE1-CZ 2.67Å; E193-R204 IonicContact OE1-NE 3.17Å; E193-R204 IonicContact OE1-NH1 3.83Å; E193-R204 PolarHBondContact OE1-NH1 3.1Å
194A98.3Very high95.6Very high0 Ų057.4 Ų57.40%029%0.289CS..EExtended strand (participates in β ladder)trans-127.1127.9179.700000110.3K176 I177 Y178 W202 T203K176-A194 HydrophobicContact CD-CB 4.29Å; I177-A194 CarbonylContact O-C 3.5Å; I177-A194 WeakPolarHBondContact O-CA 3.23Å; Y178-A194 HydrophobicContact CD1-CB 3.71Å; Y178-A194 HydrophobicContact CE1-CB 3.71Å; Y178-A194 HydrophobicContact CG-CB 4.31Å; A194-W202 CarbonylContact O-C 3.59Å; A194-W202 WeakPolarHBondContact O-CA 3.32Å; A194-T203 PolarHBondContact N-O 2.85Å; A194-T203 PolarHBondContact O-N 3.09Å
195F98.8Very high95.8Very high1 Ų155.6 Ų55.60%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-93.6121.3170.9-174.5-113.9000109.7L158 P159 K176 I177 L197 R200 W202L158-F195 HydrophobicContact CB-CZ 4.19Å; L158-F195 HydrophobicContact CD1-CE1 3.95Å; L158-F195 HydrophobicContact CD1-CZ 4.15Å; P159-F195 HydrophobicContact CB-CE2 4.41Å; P159-F195 HydrophobicContact CG-CE2 4.49Å; K176-F195 CarbonylContact C-O 3.51Å; K176-F195 VanDerWaalsContact CA-O 3.23Å; K176-F195 WeakPolarHBondContact CA-O 3.36Å; I177-F195 HydrophobicContact CB-CB 4.5Å; I177-F195 PolarHBondContact N-O 2.91Å; I177-F195 PolarHBondContact O-N 3.26Å; F195-L197 HydrophobicContact CD1-CD2 3.99Å; F195-L197 HydrophobicContact CE1-CD2 4.13Å; F195-R200 HydrophobicContact CE2-CB 4.41Å; F195-R200 HydrophobicContact CZ-CB 4.03Å; F195-R200 HydrophobicContact CZ-CG 4.37Å; F195-W202 HydrophobicContact CB-CD2 4.04Å; F195-W202 HydrophobicContact CB-CE3 4Å; F195-W202 HydrophobicContact CB-CH2 3.66Å; F195-W202 HydrophobicContact CB-CZ2 3.67Å; F195-W202 HydrophobicContact CB-CZ3 3.84Å; F195-W202 AromaticContact CD2-CD1 3.81Å; F195-W202 AromaticContact CD2-CD2 3.93Å; F195-W202 HydrophobicContact CD2-CD2 3.93Å; F195-W202 AromaticContact CD2-CE2 3.47Å; F195-W202 VanDerWaalsContact CD2-CE2 3.47Å; F195-W202 HydrophobicContact CD2-CG 4.11Å; F195-W202 AromaticContact CD2-CZ2 3.89Å; F195-W202 HydrophobicContact CD2-CZ2 3.89Å; F195-W202 AromaticContact CD2-NE1 3.39Å; F195-W202 AromaticContact CE2-NE1 3.87Å; F195-W202 HydrophobicContact CG-CD2 4.46Å; F195-W202 HydrophobicContact CG-CH2 4.45Å; F195-W202 AromaticContact CG-CZ2 3.97Å; F195-W202 HydrophobicContact CG-CZ2 3.97Å
196D98.4Very high96.2Very high23 Ų2357.3 Ų57.312%0.12329%0.285CS..EExtended strand (participates in β ladder)trans-81.2120.5172-166.6-69.5000110.2N175 K176 E198 A199 R200 T201N175-D196 PolarHBondContact ND2-OD1 3.01Å; K176-D196 IonicContact NZ-OD2 3.77Å; K176-D196 PolarHBondContact NZ-OD2 3.47Å; D196-E198 PolarHBondContact O-N 2.84Å; D196-E198 PolarHBondContact OD1-N 2.88Å; D196-A199 HydrophobicContact CB-CB 4.07Å; D196-A199 WeakPolarHBondContact OD1-CB 3.49Å; D196-A199 PolarHBondContact OD1-N 3.47Å; D196-R200 WeakPolarHBondContact O-CA 3.29Å; D196-R200 PolarHBondContact O-N 2.92Å; D196-T201 PolarHBondContact N-O 3.03Å
197L97.6Very high96.8Very high21 Ų2151.6 Ų51.611%0.1127%0.269CS..THydrogen-bonded Turntrans-72.7-27.6-174.3-65.7169.3000113R125 Y130 L172 N175 I177 F195R125-L197 HydrophobicContact CG-CD1 4.01Å; Y130-L197 HydrophobicContact CD1-CD2 4.06Å; Y130-L197 HydrophobicContact CE1-CD2 3.45Å; Y130-L197 VanDerWaalsContact CE1-CD2 3.45Å; Y130-L197 HydrophobicContact CE2-CD2 4.21Å; L172-L197 HydrophobicContact CD1-CD1 4.04Å; N175-L197 WeakPolarHBondContact O-CB 3.48Å; N175-L197 WeakPolarHBondContact O-CG 3.39Å; N175-L197 PolarHBondContact O-N 3.21Å; N175-L197 WeakPolarHBondContact OD1-CB 3.15Å; I177-L197 HydrophobicContact CD1-CD2 3.8Å; I177-L197 HydrophobicContact CG1-CD1 4.43Å; I177-L197 HydrophobicContact CG1-CD2 4.08Å; I177-L197 HydrophobicContact CG1-CG 4.42Å; F195-L197 HydrophobicContact CD1-CD2 3.99Å; F195-L197 HydrophobicContact CE1-CD2 4.13Å
198E96.3Very high97Very high157 Ų15747.9 Ų47.973%0.73425%0.25SC*.THydrogen-bonded Turntrans-86.5-53.1179.7-77169.8-173.200110.5N175 D196 R200N175-E198 WeakPolarHBondContact ND2-CB 3.39Å; N175-E198 WeakPolarHBondContact ND2-CG 3.17Å; N175-E198 PolarHBondContact ND2-N 2.84Å; D196-E198 PolarHBondContact O-N 2.84Å; D196-E198 PolarHBondContact OD1-N 2.88Å; E198-R200 PolarHBondContact O-N 2.88Å
199A97.6Very high96.9Very high60 Ų6050.8 Ų50.850%0.49627%0.268SS..THydrogen-bonded Turntrans-73.2-18.7-179.600000112.4D196 T201D196-A199 HydrophobicContact CB-CB 4.07Å; D196-A199 WeakPolarHBondContact OD1-CB 3.49Å; D196-A199 PolarHBondContact OD1-N 3.47Å; A199-T201 PolarHBondContact O-N 2.75Å
200R97.3Very high96.6Very high153 Ų15351 Ų5158%0.57727%0.271SS*.THydrogen-bonded Turntrans53.941.8-174.9-58-178.4177.2-174.7-2.4112.1P159 F195 D196 E198P159-R200 WeakPolarHBondContact CG-O 3.45Å; F195-R200 HydrophobicContact CE2-CB 4.41Å; F195-R200 HydrophobicContact CZ-CB 4.03Å; F195-R200 HydrophobicContact CZ-CG 4.37Å; D196-R200 WeakPolarHBondContact O-CA 3.29Å; D196-R200 PolarHBondContact O-N 2.92Å; E198-R200 PolarHBondContact O-N 2.88Å
201T98.4Very high96.3Very high75 Ų7554.3 Ų54.346%0.4628%0.28SS..EExtended strand (participates in β ladder)trans-126.2154.7179.854.10000111.4D196 A199D196-T201 PolarHBondContact N-O 3.03Å; A199-T201 PolarHBondContact O-N 2.75Å
202W98.8Very high96.1Very high42 Ų4254.5 Ų54.516%0.15928%0.277CS..EExtended strand (participates in β ladder)trans-97.9136.2177.2-74.995.6000111.1L132 V145 P159 S160 M161 P162 V179 E193 A194 F195L132-W202 HydrophobicContact CD2-CH2 3.96Å; L132-W202 HydrophobicContact CD2-CZ2 4.35Å; V145-W202 HydrophobicContact CG2-CZ2 3.69Å; P159-W202 PolarHBondContact O-NE1 2.85Å; S160-W202 VanDerWaalsContact O-CD1 3.28Å; S160-W202 PolarHBondContact O-NE1 3.35Å; S160-W202 VanDerWaalsContact O-NE1 3.09Å; M161-W202 HydrophobicContact CB-CH2 4.36Å; M161-W202 HydrophobicContact CB-CZ2 4.25Å; M161-W202 HydrophobicContact CG-CH2 3.65Å; M161-W202 HydrophobicContact CG-CZ2 3.63Å; M161-W202 HydrophobicContact CG-CZ3 4.5Å; M161-W202 HydrophobicContact SD-CH2 4.42Å; P162-W202 VanDerWaalsContact CD-CG 3.48Å; P162-W202 HydrophobicContact CG-CB 3.52Å; P162-W202 HydrophobicContact CG-CD2 4.08Å; P162-W202 HydrophobicContact CG-CE3 4.31Å; P162-W202 HydrophobicContact CG-CG 3.75Å; V179-W202 HydrophobicContact CG2-CH2 3.77Å; V179-W202 HydrophobicContact CG2-CZ3 3.9Å; E193-W202 HydrophobicContact CB-CE3 3.91Å; E193-W202 HydrophobicContact CB-CZ3 3.94Å; A194-W202 CarbonylContact O-C 3.59Å; A194-W202 WeakPolarHBondContact O-CA 3.32Å; F195-W202 HydrophobicContact CB-CD2 4.04Å; F195-W202 HydrophobicContact CB-CE3 4Å; F195-W202 HydrophobicContact CB-CH2 3.66Å; F195-W202 HydrophobicContact CB-CZ2 3.67Å; F195-W202 HydrophobicContact CB-CZ3 3.84Å; F195-W202 AromaticContact CD2-CD1 3.81Å; F195-W202 AromaticContact CD2-CD2 3.93Å; F195-W202 HydrophobicContact CD2-CD2 3.93Å; F195-W202 AromaticContact CD2-CE2 3.47Å; F195-W202 VanDerWaalsContact CD2-CE2 3.47Å; F195-W202 HydrophobicContact CD2-CG 4.11Å; F195-W202 AromaticContact CD2-CZ2 3.89Å; F195-W202 HydrophobicContact CD2-CZ2 3.89Å; F195-W202 AromaticContact CD2-NE1 3.39Å; F195-W202 AromaticContact CE2-NE1 3.87Å; F195-W202 HydrophobicContact CG-CD2 4.46Å; F195-W202 HydrophobicContact CG-CH2 4.45Å; F195-W202 AromaticContact CG-CZ2 3.97Å; F195-W202 HydrophobicContact CG-CZ2 3.97Å
203T98.2Very high95.9Very high60 Ų6054.8 Ų54.837%0.36828%0.28SS..EExtended strand (participates in β ladder)trans-113.3129.2168.6-56.30000109E193 A194E193-T203 CarbonylContact C-O 3.59Å; E193-T203 WeakPolarHBondContact CA-O 3.35Å; A194-T203 PolarHBondContact N-O 2.85Å; A194-T203 PolarHBondContact O-N 3.09Å
204R97.9Very high95.7Very high148 Ų14859.4 Ų59.456%0.55830%0.3SS*.EExtended strand (participates in β ladder)trans-89.4128.2170.9-67.9-171.2-173.7-104.611.6109.4P162 T163 E193P162-R204 HydrophobicContact CB-CG 4.42Å; P162-R204 PolarHBondContact O-NH2 2.97Å; T163-R204 PolarHBondContact OG1-NH1 3.03Å; E193-R204 HydrophobicContact CG-CG 4.47Å; E193-R204 IonicContact OE1-CZ 2.67Å; E193-R204 IonicContact OE1-NE 3.17Å; E193-R204 IonicContact OE1-NH1 3.83Å; E193-R204 PolarHBondContact OE1-NH1 3.1Å
205H97Very high95.6Very high40 Ų4060.7 Ų60.719%0.18531%0.311CS..EExtended strand (participates in β ladder)trans-96.3166.5169.8-69.3-79000110.1Y178 F192 S207 F251Y178-H205 AromaticContact CE1-NE2 3.79Å; F192-H205 HydrophobicContact CB-CB 4.29Å; F192-H205 HydrophobicContact CD1-CB 3.43Å; F192-H205 VanDerWaalsContact CD1-CB 3.43Å; F192-H205 AromaticContact CD1-CG 3.98Å; F192-H205 HydrophobicContact CE1-CB 4.01Å; F192-H205 HydrophobicContact CG-CB 4.09Å; F192-H205 WeakPolarHBondContact O-CB 3.34Å; F192-H205 PolarHBondContact O-N 3.09Å; H205-S207 PolarHBondContact O-N 2.86Å; H205-F251 HydrophobicContact CB-CE2 4.25Å; H205-F251 HydrophobicContact CB-CZ 3.96Å; H205-F251 AromaticContact CG-CZ 3.98Å; H205-F251 AromaticContact ND1-CZ 3.64Å
206P96.8Very high95.5Very high67 Ų6761 Ų6144%0.43531%0.314SS..PPolyproline II helixtrans-48.1136.1168.5-30.336.7000111.7F251 W258P206-F251 HydrophobicContact CB-CE2 4.46Å; P206-F251 HydrophobicContact CG-CE2 4.33Å; P206-W258 PolarHBondContact O-NE1 2.87Å
207S95.6Very high95.5Very high67 Ų6760.8 Ų60.847%0.46931%0.314SS..PPolyproline II helixtrans-69.3156178.8-67.70000112.2T190 H205 W258T190-S207 CarbonylContact O-C 3.52Å; T190-S207 VanDerWaalsContact O-CA 3.27Å; T190-S207 WeakPolarHBondContact O-CA 3.24Å; T190-S207 VanDerWaalsContact O-CB 3.32Å; T190-S207 WeakPolarHBondContact O-CB 3.44Å; H205-S207 PolarHBondContact O-N 2.86Å; S207-W258 PolarHBondContact O-NE1 2.88Å
208L93.2Very high95.4Very high17 Ų1760 Ų609%0.08931%0.311CS..PPolyproline II helixtrans-50.8129.7170.3-80167.5000110.9L180 T190 S210 W258L180-L208 HydrophobicContact CD1-CD1 3.64Å; L180-L208 HydrophobicContact CD1-CD2 4.16Å; L180-L208 HydrophobicContact CD1-CG 3.7Å; L180-L208 HydrophobicContact CG-CD1 4.14Å; T190-L208 HydrophobicContact CG2-CB 4.18Å; T190-L208 PolarHBondContact O-N 2.86Å; L208-S210 PolarHBondContact O-N 2.88Å; L208-S210 VanDerWaalsContact O-N 3.16Å; L208-W258 HydrophobicContact CD2-CD2 4.32Å; L208-W258 HydrophobicContact CD2-CE3 4.1Å; L208-W258 HydrophobicContact CD2-CH2 3.29Å; L208-W258 HydrophobicContact CD2-CZ2 3.51Å; L208-W258 HydrophobicContact CD2-CZ3 3.59Å; L208-W258 HydrophobicContact CG-CH2 4.16Å; L208-W258 HydrophobicContact CG-CZ2 3.95Å
209P91Very high95.3Very high66 Ų6654.1 Ų54.143%0.42928%0.284SS..SBendtrans-63.6-21.3-177.1-24.432.1000114.8E249 W258P209-E249 WeakPolarHBondContact CB-OE1 3.43Å; P209-E249 HydrophobicContact CG-CG 4.31Å; P209-W258 HydrophobicContact CG-CB 3.78Å; P209-W258 HydrophobicContact CG-CG 4.06Å
210S88.8Confident95Very high22 Ų2251.6 Ų51.615%0.15426%0.263CS..SBendtrans-140.1146.6175.855.70000114.7L208 R212 E249L208-S210 PolarHBondContact O-N 2.88Å; L208-S210 VanDerWaalsContact O-N 3.16Å; S210-R212 PolarHBondContact O-N 3.46Å; S210-R212 PolarHBondContact OG-NH1 3.2Å; S210-E249 PolarHBondContact N-OE1 2.96Å; S210-E249 PolarHBondContact OG-OE1 2.9Å
211R90.1Very high94.6Very high102 Ų10251.3 Ų51.339%0.38527%0.268SS..  trans-87.5103.5-173.6-179.3-179.9-71.3-148.7-1.3110.6P188 T190 Q231P188-R211 HydrophobicContact CG-CG 3.51Å; T190-R211 HydrophobicContact CG2-CB 4.16Å; R211-Q231 PolarHBondContact O-NE2 2.87Å
212R92.9Very high94.2Very high17 Ų1748.8 Ų48.86%0.06426%0.257CS..EExtended strand (participates in β ladder)trans-132.1130.1-176-54.3-172.6-58.2-870.5111.4P188 S210 A215 S226 G228 L230 V245 E249P188-R212 WeakPolarHBondContact CB-O 3.45Å; S210-R212 PolarHBondContact O-N 3.46Å; S210-R212 PolarHBondContact OG-NH1 3.2Å; R212-A215 HydrophobicContact CB-CB 4.31Å; R212-S226 PolarHBondContact NH2-O 2.81Å; R212-S226 PolarHBondContact NH2-OG 2.83Å; R212-G228 WeakPolarHBondContact CD-O 3.32Å; R212-G228 PolarHBondContact NE-O 3.27Å; R212-L230 WeakPolarHBondContact CA-O 3.22Å; R212-V245 HydrophobicContact CG-CG2 4.42Å; R212-E249 IonicContact CZ-OE2 3.35Å; R212-E249 IonicContact NH1-OE1 3.08Å; R212-E249 PolarHBondContact NH1-OE1 2.89Å; R212-E249 VanDerWaalsContact NH1-OE1 3.08Å; R212-E249 IonicContact NH1-OE2 2.7Å; R212-E249 PolarHBondContact NH1-OE2 3.06Å; R212-E249 IonicContact NH2-OE2 3.03Å; R212-E249 PolarHBondContact NH2-OE2 2.98Å
213A92.7Very high93.9Very high7 Ų747.5 Ų47.56%0.05826%0.255CS..EExtended strand (participates in β ladder)trans-83.8152.2171.100000110P188 A215 G229 L230P188-A213 HydrophobicContact CB-CB 4.35Å; P188-A213 HydrophobicContact CG-CB 4.29Å; A213-A215 PolarHBondContact O-N 2.91Å; A213-A215 VanDerWaalsContact O-N 3.11Å; A213-G229 CarbonylContact O-C 3.56Å; A213-G229 VanDerWaalsContact O-CA 3.27Å; A213-G229 WeakPolarHBondContact O-CA 3.48Å; A213-L230 PolarHBondContact N-O 2.9Å; A213-L230 PolarHBondContact O-N 2.82Å
214F94.6Very high93.8Very high103 Ų10344.7 Ų44.745%0.45224%0.238SC..THydrogen-bonded Turntrans54.431.8175.3-44.7-69.7000114L230 A272 D273F214-L230 HydrophobicContact CD2-CB 4.44Å; F214-A272 HydrophobicContact CB-CB 4.09Å; F214-A272 WeakPolarHBondContact O-CA 3.41Å; F214-D273 HydrophobicContact CB-CB 4.2Å; F214-D273 PolarHBondContact O-N 3.04Å
215A96.4Very high93.7Very high27 Ų2737.6 Ų37.622%0.22321%0.211CC..  trans-75.5143170.300000109.3R212 A213 L227R212-A215 HydrophobicContact CB-CB 4.31Å; A213-A215 PolarHBondContact O-N 2.91Å; A213-A215 VanDerWaalsContact O-N 3.11Å; A215-L227 WeakPolarHBondContact CA-O 3.12Å; A215-L227 WeakPolarHBondContact CB-O 3.37Å
216G96.6Very high93.7Very high7 Ų735.8 Ų35.87%0.07220%0.203CC..EExtended strand (participates in β ladder)trans-83.8135.7171.400000110.1L227G216-L227 PolarHBondContact N-O 3.06Å; G216-L227 PolarHBondContact O-N 2.84Å
217C96.8Very high93.8Very high18 Ų1832.6 Ų32.612%0.12218%0.182CC..EExtended strand (participates in β ladder)trans-119.6140.9170.6-53.70000112.1S169 F171 L180 F225 V276S169-C217 WeakPolarHBondContact OG-CB 3.06Å; F171-C217 HydrophobicContact CE2-CB 4.2Å; F171-C217 HydrophobicContact CZ-CB 3.74Å; L180-C217 HydrophobicContact CD2-CB 4.05Å; C217-F225 WeakPolarHBondContact CA-O 3.28Å; C217-F225 WeakPolarHBondContact CB-O 3.45Å; C217-V276 WeakPolarHBondContact O-CG1 3.41Å
218A96.2Very high93.8Very high6 Ų629.4 Ų29.45%0.0516%0.16CC..EExtended strand (participates in β ladder)trans-143.8154.6174.800000110.6F225 V276 I283A218-F225 PolarHBondContact N-O 3.14Å; A218-F225 VanDerWaalsContact N-O 3.12Å; A218-F225 PolarHBondContact O-N 2.96Å; A218-V276 HydrophobicContact CB-CG1 4.38Å; A218-V276 HydrophobicContact CB-CG2 3.75Å; A218-I283 HydrophobicContact CB-CD1 4.13Å; A218-I283 HydrophobicContact CB-CG2 4.43Å
219M93.9Very high94Very high32 Ų3228.6 Ų28.616%0.15816%0.156CC..EExtended strand (participates in β ladder)trans-115.1135.9173.4-175.3-177.9-81.900109.9F171 H173 Y178 S223 V224 L253F171-M219 HydrophobicContact CB-CB 4.23Å; F171-M219 HydrophobicContact CB-CE 3.45Å; F171-M219 VanDerWaalsContact CB-CE 3.45Å; F171-M219 HydrophobicContact CB-SD 3.86Å; F171-M219 HydrophobicContact CD1-CB 3.62Å; F171-M219 HydrophobicContact CD2-CE 4.29Å; F171-M219 HydrophobicContact CE1-CB 4.13Å; F171-M219 HydrophobicContact CG-CB 3.88Å; F171-M219 HydrophobicContact CG-CE 3.98Å; F171-M219 HydrophobicContact CG-SD 4.48Å; H173-M219 HydrophobicContact CB-CE 4.15Å; H173-M219 HydrophobicContact CB-SD 3.73Å; Y178-M219 HydrophobicContact CD2-CE 4.03Å; Y178-M219 HydrophobicContact CG-CE 4.22Å; M219-S223 VanDerWaalsContact CA-O 3.31Å; M219-S223 WeakPolarHBondContact CA-O 3.1Å; M219-S223 WeakPolarHBondContact CG-O 3.47Å; M219-V224 HydrophobicContact CE-CG2 3.4Å; M219-V224 VanDerWaalsContact CE-CG2 3.4Å; M219-V224 HydrophobicContact CG-CG2 4.32Å; M219-L253 HydrophobicContact CE-CD1 4.05Å
220A92.6Very high94.1Very high8 Ų827 Ų277%0.06614%0.143CC..EExtended strand (participates in β ladder)trans-152.4141.1171.600000110.3G222 S223 S278 I283 L304A220-G222 VanDerWaalsContact C-N 3.27Å; A220-G222 PolarHBondContact O-N 3.12Å; A220-G222 VanDerWaalsContact O-N 3.16Å; A220-S223 PolarHBondContact N-O 2.8Å; A220-S223 WeakPolarHBondContact O-CB 3.38Å; A220-S223 PolarHBondContact O-N 2.95Å; A220-S278 WeakPolarHBondContact CB-OG 3.4Å; A220-I283 HydrophobicContact CB-CD1 3.48Å; A220-I283 VanDerWaalsContact CB-CD1 3.48Å; A220-I283 HydrophobicContact CB-CG1 4.45Å; A220-L304 HydrophobicContact CB-CD1 3.78Å
221E88.4Confident94.3Very high146 Ų14628 Ų2868%0.68215%0.145SC*.THydrogen-bonded Turntrans48.445.2171.9-60.8178.8-171.200113.6S223 L304E221-S223 PolarHBondContact O-N 2.78Å; E221-L304 HydrophobicContact CB-CD1 4.17Å; E221-L304 HydrophobicContact CG-CD1 3.83Å; E221-L304 WeakPolarHBondContact OE2-CD1 3.5Å
222G89.4Confident94Very high22 Ų2225.3 Ų25.323%0.22714%0.137CC..THydrogen-bonded Turntrans72.311.7179.500000114.8A220 L253A220-G222 VanDerWaalsContact C-N 3.27Å; A220-G222 PolarHBondContact O-N 3.12Å; A220-G222 VanDerWaalsContact O-N 3.16Å; G222-L253 WeakPolarHBondContact O-CB 3.39Å; G222-L253 WeakPolarHBondContact O-CD1 3.32Å; G222-L253 WeakPolarHBondContact O-CG 3.42Å; G222-L253 PolarHBondContact O-N 2.79Å; G222-L253 VanDerWaalsContact O-N 3.1Å
223S93.4Very high93.3Very high16 Ų1626.4 Ų26.411%0.11215%0.147CC..EExtended strand (participates in β ladder)trans-118.8143.4176.2-66.20000111.9M219 A220 E221 F251M219-S223 VanDerWaalsContact CA-O 3.31Å; M219-S223 WeakPolarHBondContact CA-O 3.1Å; M219-S223 WeakPolarHBondContact CG-O 3.47Å; A220-S223 PolarHBondContact N-O 2.8Å; A220-S223 WeakPolarHBondContact O-CB 3.38Å; A220-S223 PolarHBondContact O-N 2.95Å; E221-S223 PolarHBondContact O-N 2.78Å; S223-F251 CarbonylContact C-O 3.6Å; S223-F251 VanDerWaalsContact CA-O 3.23Å; S223-F251 WeakPolarHBondContact CA-O 3.37Å
224V96.1Very high92.2Very high0 Ų027.6 Ų27.60%016%0.159CC..EExtended strand (participates in β ladder)trans-106.4129.1172.5-175.80000109.7F171 L180 F192 M219 M250 F251 L253 W258F171-V224 HydrophobicContact CD2-CG1 4.41Å; F171-V224 HydrophobicContact CE2-CG1 3.99Å; L180-V224 HydrophobicContact CD2-CG1 3.59Å; F192-V224 HydrophobicContact CE2-CG2 4.44Å; F192-V224 HydrophobicContact CZ-CB 4.47Å; F192-V224 HydrophobicContact CZ-CG2 3.94Å; M219-V224 HydrophobicContact CE-CG2 3.4Å; M219-V224 VanDerWaalsContact CE-CG2 3.4Å; M219-V224 HydrophobicContact CG-CG2 4.32Å; V224-M250 CarbonylContact O-C 3.55Å; V224-M250 WeakPolarHBondContact O-CA 3.4Å; V224-F251 HydrophobicContact CB-CB 4.26Å; V224-F251 PolarHBondContact N-O 3.01Å; V224-F251 PolarHBondContact O-N 2.79Å; V224-L253 HydrophobicContact CG2-CD2 4.46Å; V224-W258 HydrophobicContact CG1-CH2 4.5Å
225F96.3Very high90.8Very high0 Ų028 Ų280%017%0.173CC..EExtended strand (participates in β ladder)trans-108136-180-67.1-97000110C217 A218 L227 V248 E249 M250 I283 F302 L304C217-F225 WeakPolarHBondContact CA-O 3.28Å; C217-F225 WeakPolarHBondContact CB-O 3.45Å; A218-F225 PolarHBondContact N-O 3.14Å; A218-F225 VanDerWaalsContact N-O 3.12Å; A218-F225 PolarHBondContact O-N 2.96Å; F225-L227 HydrophobicContact CB-CD2 4.12Å; F225-L227 HydrophobicContact CB-CG 4.4Å; F225-V248 HydrophobicContact CD1-CG1 4.43Å; F225-E249 CarbonylContact C-O 3.55Å; F225-E249 WeakPolarHBondContact CA-O 3.26Å; F225-M250 HydrophobicContact CD1-CB 4.26Å; F225-M250 HydrophobicContact CD1-CG 4.21Å; F225-M250 HydrophobicContact CE1-CB 4.09Å; F225-M250 HydrophobicContact CE1-CG 3.71Å; F225-M250 HydrophobicContact CE1-SD 3.91Å; F225-M250 HydrophobicContact CE2-CG 4.4Å; F225-M250 HydrophobicContact CZ-CG 3.8Å; F225-M250 HydrophobicContact CZ-SD 3.85Å; F225-I283 HydrophobicContact CD1-CG1 4.23Å; F225-I283 HydrophobicContact CD2-CD1 3.65Å; F225-I283 HydrophobicContact CD2-CG1 3.64Å; F225-I283 HydrophobicContact CE1-CG1 4.28Å; F225-I283 HydrophobicContact CE2-CD1 3.91Å; F225-I283 HydrophobicContact CE2-CG1 3.7Å; F225-I283 HydrophobicContact CG-CD1 4.27Å; F225-I283 HydrophobicContact CG-CG1 3.93Å; F225-I283 HydrophobicContact CZ-CG1 4.03Å; F225-F302 HydrophobicContact CE1-CD1 4.18Å; F225-F302 HydrophobicContact CE1-CE1 4.28Å; F225-L304 HydrophobicContact CE1-CD2 4.48Å; F225-L304 HydrophobicContact CE2-CD2 4.06Å; F225-L304 HydrophobicContact CZ-CD2 3.54Å
226S96.7Very high89.4Confident2 Ų235.4 Ų35.41%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-119.3121.8164.5-172.70000109.4R212 E249R212-S226 PolarHBondContact NH2-O 2.81Å; R212-S226 PolarHBondContact NH2-OG 2.83Å; S226-E249 PolarHBondContact N-O 2.97Å; S226-E249 PolarHBondContact O-N 2.87Å
227L97.1Very high87.9Confident0 Ų040.6 Ų40.60%023%0.228CC..EExtended strand (participates in β ladder)trans-122.1137.8-167.2-54-174000111.2A215 G216 F225 T247 V248 M267 F274 V276 I283 A285 W309A215-L227 WeakPolarHBondContact CA-O 3.12Å; A215-L227 WeakPolarHBondContact CB-O 3.37Å; G216-L227 PolarHBondContact N-O 3.06Å; G216-L227 PolarHBondContact O-N 2.84Å; F225-L227 HydrophobicContact CB-CD2 4.12Å; F225-L227 HydrophobicContact CB-CG 4.4Å; L227-T247 CarbonylContact C-O 3.51Å; L227-T247 WeakPolarHBondContact CA-O 2.97Å; L227-V248 HydrophobicContact CD2-CB 4.19Å; L227-V248 HydrophobicContact CD2-CG1 3.64Å; L227-V248 HydrophobicContact CD2-CG2 3.98Å; L227-M267 HydrophobicContact CB-CE 4.07Å; L227-M267 HydrophobicContact CB-SD 4.06Å; L227-M267 HydrophobicContact CD1-SD 4.27Å; L227-F274 HydrophobicContact CB-CE2 4.16Å; L227-F274 HydrophobicContact CB-CZ 3.75Å; L227-F274 HydrophobicContact CD1-CE2 4.46Å; L227-F274 VanDerWaalsContact O-CZ 3.3Å; L227-F274 WeakPolarHBondContact O-CZ 3.49Å; L227-V276 HydrophobicContact CD1-CG2 3.55Å; L227-V276 HydrophobicContact CG-CG2 4.48Å; L227-I283 HydrophobicContact CD1-CG2 3.73Å; L227-A285 HydrophobicContact CD1-CB 4.48Å; L227-W309 HydrophobicContact CD1-CH2 3.98Å; L227-W309 HydrophobicContact CD2-CH2 4.29Å; L227-W309 HydrophobicContact CD2-CZ2 4.13Å
228G97.1Very high86.3Confident0 Ų047.9 Ų47.90%026%0.258CS..  trans53.5-144.4168.400000113.3R212 V245 T247 M267 R271R212-G228 WeakPolarHBondContact CD-O 3.32Å; R212-G228 PolarHBondContact NE-O 3.27Å; G228-V245 VanDerWaalsContact CA-O 3.27Å; G228-V245 WeakPolarHBondContact CA-O 3.39Å; G228-T247 PolarHBondContact N-O 3.41Å; G228-M267 VanDerWaalsContact CA-CE 3.42Å; G228-M267 VanDerWaalsContact N-CE 3.28Å; G228-R271 CarbonylContact C-O 3.44Å; G228-R271 WeakPolarHBondContact CA-O 3.23Å
229G96.6Very high85Confident0 Ų058.4 Ų58.40%030%0.298CS..  trans100.7178.1-177.900000113.1A213 V245 R271A213-G229 CarbonylContact O-C 3.56Å; A213-G229 VanDerWaalsContact O-CA 3.27Å; A213-G229 WeakPolarHBondContact O-CA 3.48Å; G229-V245 WeakPolarHBondContact O-CG2 3.39Å; G229-V245 PolarHBondContact O-N 2.98Å; G229-R271 PolarHBondContact N-O 3.42Å
230L94.1Very high84.1Confident32 Ų3259 Ų5917%0.16831%0.305CS..EExtended strand (participates in β ladder)trans-97.6106.4178.9-172.571.5000109R212 A213 F214 Q232 P242 F244R212-L230 WeakPolarHBondContact CA-O 3.22Å; A213-L230 PolarHBondContact N-O 2.9Å; A213-L230 PolarHBondContact O-N 2.82Å; F214-L230 HydrophobicContact CD2-CB 4.44Å; L230-Q232 PolarHBondContact O-N 2.86Å; L230-Q232 PolarHBondContact O-NE2 3.02Å; L230-P242 HydrophobicContact CD1-CB 3.99Å; L230-P242 HydrophobicContact CD2-CB 3.96Å; L230-P242 HydrophobicContact CG-CB 3.89Å; L230-F244 HydrophobicContact CD1-CD1 3.81Å; L230-F244 HydrophobicContact CD1-CE1 3.82Å; L230-F244 HydrophobicContact CD1-CG 4.36Å; L230-F244 HydrophobicContact CD1-CZ 4.37Å
231Q91.8Very high83.7Confident43 Ų4369 Ų6920%0.20134%0.342CS..EExtended strand (participates in β ladder)trans-64.4120.4177-178.2606300109R211 P242 H243 V245R211-Q231 PolarHBondContact O-NE2 2.87Å; Q231-P242 VanDerWaalsContact O-CA 3.3Å; Q231-P242 WeakPolarHBondContact O-CA 3.27Å; Q231-H243 PolarHBondContact N-O 2.84Å; Q231-H243 PolarHBondContact O-N 2.84Å; Q231-V245 HydrophobicContact CB-CG1 3.74Å
232Q83.8Confident83.7Confident45 Ų4565.2 Ų65.221%0.2133%0.329CS..PPolyproline II helixtrans-85.8149.2176.4-64.3-58-55.700110.6P188 L230 G234P188-Q232 HydrophobicContact CG-CG 4.07Å; L230-Q232 PolarHBondContact O-N 2.86Å; L230-Q232 PolarHBondContact O-NE2 3.02Å; Q232-G234 PolarHBondContact O-N 3.08Å
233P78.7Confident83.8Confident41 Ų4168.3 Ų68.327%0.26634%0.338SS..PPolyproline II helixtrans-56.2135.5172-0.42.4000110.2S240P233-S240 WeakPolarHBondContact CB-O 3.27Å; P233-S240 VanDerWaalsContact CG-O 3.26Å; P233-S240 WeakPolarHBondContact CG-O 3.38Å
234G69.6Low84Confident31 Ų3169.6 Ų69.632%0.3234%0.341SS..PPolyproline II helixtrans-77.4163.8174.800000111.9Q232 H236 N237 F238Q232-G234 PolarHBondContact O-N 3.08Å; G234-H236 PolarHBondContact O-N 3.03Å; G234-H236 VanDerWaalsContact O-N 3.12Å; G234-N237 CarbonylContact O-C 3.48Å; G234-N237 PolarHBondContact O-N 2.9Å; G234-F238 PolarHBondContact O-N 2.99Å
235P65.4Low84Confident113 Ų11370.2 Ų70.273%0.73435%0.345SS*.THydrogen-bonded Turntrans-54.6-33175.6-21.831.2000112.9
236H66.8Low84Confident181 Ų18171.6 Ų71.684%0.83835%0.352SS*.THydrogen-bonded Turntrans-93.8-0.4-179.1-54.7-64.8000114.1G234G234-H236 PolarHBondContact O-N 3.03Å; G234-H236 VanDerWaalsContact O-N 3.12Å
237N65.8Low84Confident116 Ų11672 Ų7262%0.6236%0.355SS*.  trans-137.848.8-176.9-106-12.2000111G234 Y239 S240G234-N237 CarbonylContact O-C 3.48Å; G234-N237 PolarHBondContact O-N 2.9Å; N237-Y239 PolarHBondContact O-N 3.43Å; N237-Y239 VanDerWaalsContact O-N 3.15Å; N237-S240 PolarHBondContact O-N 3.35Å; N237-S240 PolarHBondContact O-OG 3.14Å
238F63.3Low83.9Confident171 Ų17172.1 Ų72.175%0.7536%0.356SS*.THydrogen-bonded Turntrans-58.7-28-173.9-162.4-93.5000113.9G234 S240G234-F238 PolarHBondContact O-N 2.99Å; F238-S240 VanDerWaalsContact C-N 3.31Å; F238-S240 PolarHBondContact O-N 3.17Å
239Y67.3Low83.8Confident227 Ų22772.1 Ų72.189%0.8936%0.356SS*.THydrogen-bonded Turntrans-78.7-10.1179.4-60.3-73.5000114.4N237 R241N237-Y239 PolarHBondContact O-N 3.43Å; N237-Y239 VanDerWaalsContact O-N 3.15Å; Y239-R241 PolarHBondContact O-N 3.24Å
240S76.2Confident83.7Confident45 Ų4572.5 Ų72.532%0.31536%0.358SS..SBendtrans-74128.7178.361.90000110.6P233 N237 F238P233-S240 WeakPolarHBondContact CB-O 3.27Å; P233-S240 VanDerWaalsContact CG-O 3.26Å; P233-S240 WeakPolarHBondContact CG-O 3.38Å; N237-S240 PolarHBondContact O-N 3.35Å; N237-S240 PolarHBondContact O-OG 3.14Å; F238-S240 VanDerWaalsContact C-N 3.31Å; F238-S240 PolarHBondContact O-N 3.17Å
241R83.4Confident83.8Confident219 Ų21971 Ų7183%0.82635%0.35SS*.PPolyproline II helixtrans-72.7145.6175.4-67.3-173.7-179.1-175.80.6110.3Y239 H243Y239-R241 PolarHBondContact O-N 3.24Å; R241-H243 PolarHBondContact O-N 2.81Å; R241-H243 PolarHBondContact O-ND1 2.9Å; R241-H243 VanDerWaalsContact O-ND1 3.17Å
242P87.9Confident83.9Confident65 Ų6570.6 Ų70.642%0.42235%0.349SS..PPolyproline II helixtrans-54135.1168.8-2231.4000110.4L230 Q231L230-P242 HydrophobicContact CD1-CB 3.99Å; L230-P242 HydrophobicContact CD2-CB 3.96Å; L230-P242 HydrophobicContact CG-CB 3.89Å; Q231-P242 VanDerWaalsContact O-CA 3.3Å; Q231-P242 WeakPolarHBondContact O-CA 3.27Å
243H93.3Very high84.3Confident87 Ų8770 Ų7040%0.40335%0.347SS..EExtended strand (participates in β ladder)trans-144.8146.8-179.459.8-84.1000111.1Q231 R241Q231-H243 PolarHBondContact N-O 2.84Å; Q231-H243 PolarHBondContact O-N 2.84Å; R241-H243 PolarHBondContact O-N 2.81Å; R241-H243 PolarHBondContact O-ND1 2.9Å; R241-H243 VanDerWaalsContact O-ND1 3.17Å
244F96.8Very high85Confident43 Ų4376.2 Ų76.219%0.18937%0.373CS..EExtended strand (participates in β ladder)trans-67.1141.9177.1-58.1-65.5000110.4L230 K270 A272 L289 G290 N291L230-F244 HydrophobicContact CD1-CD1 3.81Å; L230-F244 HydrophobicContact CD1-CE1 3.82Å; L230-F244 HydrophobicContact CD1-CG 4.36Å; L230-F244 HydrophobicContact CD1-CZ 4.37Å; F244-K270 HydrophobicContact CB-CB 3.86Å; F244-K270 WeakPolarHBondContact O-CD 3.29Å; F244-A272 HydrophobicContact CD1-CB 3.55Å; F244-A272 HydrophobicContact CE1-CB 3.68Å; F244-L289 HydrophobicContact CE1-CB 4.03Å; F244-L289 HydrophobicContact CZ-CB 3.94Å; F244-G290 WeakPolarHBondContact CD2-O 3.42Å; F244-G290 WeakPolarHBondContact CE2-O 3.35Å; F244-N291 WeakPolarHBondContact CD2-OD1 3.47Å
245V96.1Very high86Confident13 Ų1381.1 Ų81.18%0.07939%0.387CS..  trans-125.9161.6176.2-63.10000111.1R212 G228 G229 Q231 R271R212-V245 HydrophobicContact CG-CG2 4.42Å; G228-V245 VanDerWaalsContact CA-O 3.27Å; G228-V245 WeakPolarHBondContact CA-O 3.39Å; G229-V245 WeakPolarHBondContact O-CG2 3.39Å; G229-V245 PolarHBondContact O-N 2.98Å; Q231-V245 HydrophobicContact CB-CG1 3.74Å; V245-R271 PolarHBondContact O-N 3.07Å
246N96.8Very high87.4Confident29 Ų2977 Ų7716%0.15536%0.364CS..  trans-112.322.4176.665-19.1000111.3R266 M267 D269 K270N246-R266 WeakPolarHBondContact O-CB 3.48Å; N246-M267 HydrophobicContact CB-CB 4.01Å; N246-M267 VanDerWaalsContact CB-O 3.3Å; N246-M267 WeakPolarHBondContact CB-O 3.45Å; N246-M267 PolarHBondContact ND2-O 3.2Å; N246-M267 PolarHBondContact O-N 3.05Å; N246-M267 VanDerWaalsContact O-N 3.11Å; N246-D269 VanDerWaalsContact CB-O 3.25Å; N246-D269 WeakPolarHBondContact CB-O 3.23Å; N246-K270 HydrophobicContact CB-CG 4.04Å
247T95.2Very high88.7Confident12 Ų1271 Ų717%0.07434%0.343CS..  trans-61.5141.3-177.2-60.10000110.6L227 G228 E249L227-T247 CarbonylContact C-O 3.51Å; L227-T247 WeakPolarHBondContact CA-O 2.97Å; G228-T247 PolarHBondContact N-O 3.41Å; T247-E249 HydrophobicContact CG2-CG 4.06Å
248V95.5Very high90Very high2 Ų267 Ų671%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-127121.2173.6-178.50000107.2F225 L227 L261 M267 W309F225-V248 HydrophobicContact CD1-CG1 4.43Å; L227-V248 HydrophobicContact CD2-CB 4.19Å; L227-V248 HydrophobicContact CD2-CG1 3.64Å; L227-V248 HydrophobicContact CD2-CG2 3.98Å; V248-L261 HydrophobicContact CB-CD1 4.15Å; V248-L261 HydrophobicContact CG1-CD1 3.53Å; V248-L261 HydrophobicContact CG1-CG 4.44Å; V248-M267 HydrophobicContact CG2-CG 3.93Å; V248-W309 HydrophobicContact CG1-CZ2 4.32Å; V248-W309 HydrophobicContact CG2-CZ2 3.66Å
249E95.3Very high91.2Very high0 Ų061.7 Ų61.70%030%0.301CS..EExtended strand (participates in β ladder)trans-120.3133.1174.3-72162.3170.700107.9P209 S210 R212 F225 S226 T247 W258P209-E249 WeakPolarHBondContact CB-OE1 3.43Å; P209-E249 HydrophobicContact CG-CG 4.31Å; S210-E249 PolarHBondContact N-OE1 2.96Å; S210-E249 PolarHBondContact OG-OE1 2.9Å; R212-E249 IonicContact CZ-OE2 3.35Å; R212-E249 IonicContact NH1-OE1 3.08Å; R212-E249 PolarHBondContact NH1-OE1 2.89Å; R212-E249 VanDerWaalsContact NH1-OE1 3.08Å; R212-E249 IonicContact NH1-OE2 2.7Å; R212-E249 PolarHBondContact NH1-OE2 3.06Å; R212-E249 IonicContact NH2-OE2 3.03Å; R212-E249 PolarHBondContact NH2-OE2 2.98Å; F225-E249 CarbonylContact C-O 3.55Å; F225-E249 WeakPolarHBondContact CA-O 3.26Å; S226-E249 PolarHBondContact N-O 2.97Å; S226-E249 PolarHBondContact O-N 2.87Å; T247-E249 HydrophobicContact CG2-CG 4.06Å; E249-W258 HydrophobicContact CB-CE3 3.96Å; E249-W258 HydrophobicContact CB-CZ3 4.2Å
250M95.3Very high91.6Very high8 Ų857.2 Ų57.24%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-123.5123.8-177.5-176.6-171.879.800108.4V224 F225 W258 T259V224-M250 CarbonylContact O-C 3.55Å; V224-M250 WeakPolarHBondContact O-CA 3.4Å; F225-M250 HydrophobicContact CD1-CB 4.26Å; F225-M250 HydrophobicContact CD1-CG 4.21Å; F225-M250 HydrophobicContact CE1-CB 4.09Å; F225-M250 HydrophobicContact CE1-CG 3.71Å; F225-M250 HydrophobicContact CE1-SD 3.91Å; F225-M250 HydrophobicContact CE2-CG 4.4Å; F225-M250 HydrophobicContact CZ-CG 3.8Å; F225-M250 HydrophobicContact CZ-SD 3.85Å; M250-W258 CarbonylContact O-C 3.59Å; M250-W258 WeakPolarHBondContact O-CA 3.45Å; M250-T259 PolarHBondContact N-O 3Å; M250-T259 PolarHBondContact O-N 3.14Å
251F95.8Very high91.9Very high0 Ų055.6 Ų55.60%027%0.274CS..EExtended strand (participates in β ladder)trans-97.3126.7169.1-169-90.3000109F192 H205 P206 S223 V224 L253 G256 S257 W258F192-F251 HydrophobicContact CD1-CD1 4.32Å; F192-F251 HydrophobicContact CD1-CD2 4.07Å; F192-F251 HydrophobicContact CD1-CE1 4.36Å; F192-F251 HydrophobicContact CD1-CE2 4.11Å; F192-F251 HydrophobicContact CD1-CG 4.15Å; F192-F251 HydrophobicContact CD1-CZ 4.23Å; F192-F251 HydrophobicContact CE1-CB 4.32Å; F192-F251 AromaticContact CE1-CD1 3.48Å; F192-F251 HydrophobicContact CE1-CD1 3.48Å; F192-F251 VanDerWaalsContact CE1-CD1 3.48Å; F192-F251 HydrophobicContact CE1-CD2 4.04Å; F192-F251 AromaticContact CE1-CE1 3.61Å; F192-F251 HydrophobicContact CE1-CE1 3.61Å; F192-F251 HydrophobicContact CE1-CE2 4.15Å; F192-F251 AromaticContact CE1-CG 3.67Å; F192-F251 HydrophobicContact CE1-CG 3.67Å; F192-F251 AromaticContact CE1-CZ 3.93Å; F192-F251 HydrophobicContact CE1-CZ 3.93Å; F192-F251 HydrophobicContact CZ-CD1 4.3Å; H205-F251 HydrophobicContact CB-CE2 4.25Å; H205-F251 HydrophobicContact CB-CZ 3.96Å; H205-F251 AromaticContact CG-CZ 3.98Å; H205-F251 AromaticContact ND1-CZ 3.64Å; P206-F251 HydrophobicContact CB-CE2 4.46Å; P206-F251 HydrophobicContact CG-CE2 4.33Å; S223-F251 CarbonylContact C-O 3.6Å; S223-F251 VanDerWaalsContact CA-O 3.23Å; S223-F251 WeakPolarHBondContact CA-O 3.37Å; V224-F251 HydrophobicContact CB-CB 4.26Å; V224-F251 PolarHBondContact N-O 3.01Å; V224-F251 PolarHBondContact O-N 2.79Å; F251-L253 HydrophobicContact CD1-CD2 3.9Å; F251-L253 HydrophobicContact CD1-CG 4.48Å; F251-L253 HydrophobicContact CE1-CD2 3.95Å; F251-G256 VanDerWaalsContact CE2-C 3.45Å; F251-G256 WeakPolarHBondContact CE2-O 3.4Å; F251-G256 VanDerWaalsContact CZ-CA 3.44Å; F251-G256 WeakPolarHBondContact CZ-O 3.48Å; F251-S257 WeakPolarHBondContact CA-O 3.39Å; F251-S257 VanDerWaalsContact CD2-C 3.46Å; F251-W258 HydrophobicContact CB-CD2 3.79Å; F251-W258 HydrophobicContact CB-CE3 3.63Å; F251-W258 HydrophobicContact CB-CH2 3.71Å; F251-W258 HydrophobicContact CB-CZ2 3.89Å; F251-W258 HydrophobicContact CB-CZ3 3.6Å; F251-W258 AromaticContact CD2-CD1 3.67Å; F251-W258 AromaticContact CD2-CD2 3.7Å; F251-W258 HydrophobicContact CD2-CD2 3.7Å; F251-W258 AromaticContact CD2-CE2 3.55Å; F251-W258 HydrophobicContact CD2-CE3 4.42Å; F251-W258 AromaticContact CD2-CG 3.74Å; F251-W258 HydrophobicContact CD2-CG 3.74Å; F251-W258 HydrophobicContact CD2-CZ2 4.12Å; F251-W258 AromaticContact CD2-NE1 3.52Å; F251-W258 HydrophobicContact CG-CD2 4.25Å; F251-W258 HydrophobicContact CG-CZ2 4.31Å
252D93.8Very high92Very high35 Ų3548.7 Ų48.719%0.18726%0.257CS..EExtended strand (participates in β ladder)trans-91.3118.4172.6-177.1-52.5000108.5E254 H255 G256 S257D252-E254 VanDerWaalsContact C-N 3.29Å; D252-E254 PolarHBondContact O-N 3.41Å; D252-E254 WeakPolarHBondContact OD1-CA 3.47Å; D252-E254 WeakPolarHBondContact OD1-CB 3.48Å; D252-E254 PolarHBondContact OD1-N 3.15Å; D252-H255 HydrophobicContact CB-CB 4.23Å; D252-H255 IonicContact OD1-CG 2.67Å; D252-H255 PolarHBondContact OD1-N 3.33Å; D252-H255 IonicContact OD1-ND1 3.15Å; D252-H255 PolarHBondContact OD1-ND1 3.1Å; D252-H255 VanDerWaalsContact OD1-ND1 3.09Å; D252-H255 IonicContact OD2-CE1 3.28Å; D252-H255 IonicContact OD2-ND1 3.64Å; D252-H255 PolarHBondContact OD2-ND1 2.96Å; D252-G256 WeakPolarHBondContact O-CA 3.49Å; D252-G256 PolarHBondContact O-N 3.37Å; D252-S257 PolarHBondContact N-O 2.84Å; D252-S257 VanDerWaalsContact N-O 3.15Å
253L93.1Very high91.9Very high32 Ų3255.6 Ų55.617%0.16828%0.275CS..THydrogen-bonded Turntrans-70.3-24.8-177.3-69.2176.2000113.2Y178 F192 M219 G222 V224 F251Y178-L253 HydrophobicContact CD1-CD2 4.09Å; Y178-L253 HydrophobicContact CE1-CD2 3.43Å; Y178-L253 VanDerWaalsContact CE1-CD2 3.43Å; Y178-L253 HydrophobicContact CE2-CD1 4.48Å; F192-L253 HydrophobicContact CZ-CD2 4.24Å; M219-L253 HydrophobicContact CE-CD1 4.05Å; G222-L253 WeakPolarHBondContact O-CB 3.39Å; G222-L253 WeakPolarHBondContact O-CD1 3.32Å; G222-L253 WeakPolarHBondContact O-CG 3.42Å; G222-L253 PolarHBondContact O-N 2.79Å; G222-L253 VanDerWaalsContact O-N 3.1Å; V224-L253 HydrophobicContact CG2-CD2 4.46Å; F251-L253 HydrophobicContact CD1-CD2 3.9Å; F251-L253 HydrophobicContact CD1-CG 4.48Å; F251-L253 HydrophobicContact CE1-CD2 3.95Å
254E91.8Very high91.6Very high172 Ų17256.3 Ų56.380%0.80429%0.29SS*.THydrogen-bonded Turntrans-77.2-47.5179.2-175.8179-175.400110.5D252D252-E254 VanDerWaalsContact C-N 3.29Å; D252-E254 PolarHBondContact O-N 3.41Å; D252-E254 WeakPolarHBondContact OD1-CA 3.47Å; D252-E254 WeakPolarHBondContact OD1-CB 3.48Å; D252-E254 PolarHBondContact OD1-N 3.15Å
255H91.8Very high91.3Very high133 Ų13355.8 Ų55.862%0.61629%0.289SS*.THydrogen-bonded Turntrans-83.1-16179.9-62.891.1000113.3D252 S257D252-H255 HydrophobicContact CB-CB 4.23Å; D252-H255 IonicContact OD1-CG 2.67Å; D252-H255 PolarHBondContact OD1-N 3.33Å; D252-H255 IonicContact OD1-ND1 3.15Å; D252-H255 PolarHBondContact OD1-ND1 3.1Å; D252-H255 VanDerWaalsContact OD1-ND1 3.09Å; D252-H255 IonicContact OD2-CE1 3.28Å; D252-H255 IonicContact OD2-ND1 3.64Å; D252-H255 PolarHBondContact OD2-ND1 2.96Å; H255-S257 PolarHBondContact O-N 2.71Å
256G93.6Very high91.2Very high26 Ų2658.5 Ų58.527%0.26830%0.298SS..THydrogen-bonded Turntrans67.829.9176.800000114.4F251 D252F251-G256 VanDerWaalsContact CE2-C 3.45Å; F251-G256 WeakPolarHBondContact CE2-O 3.4Å; F251-G256 VanDerWaalsContact CZ-CA 3.44Å; F251-G256 WeakPolarHBondContact CZ-O 3.48Å; D252-G256 WeakPolarHBondContact O-CA 3.49Å; D252-G256 PolarHBondContact O-N 3.37Å
257S94.4Very high91.2Very high55 Ų5557.2 Ų57.239%0.38529%0.291SS..EExtended strand (participates in β ladder)trans-139.2148.4-175.368.10000114.3F251 D252 H255F251-S257 WeakPolarHBondContact CA-O 3.39Å; F251-S257 VanDerWaalsContact CD2-C 3.46Å; D252-S257 PolarHBondContact N-O 2.84Å; D252-S257 VanDerWaalsContact N-O 3.15Å; H255-S257 PolarHBondContact O-N 2.71Å
258W93.6Very high91.2Very high33 Ų3363.7 Ų63.713%0.12531%0.314CS..EExtended strand (participates in β ladder)trans-80.2126170.7-70.2101.2000110.5L180 F192 P206 S207 L208 P209 V224 E249 M250 F251L180-W258 HydrophobicContact CD1-CH2 4.06Å; L180-W258 HydrophobicContact CD1-CZ2 3.88Å; L180-W258 HydrophobicContact CD2-CH2 4.04Å; F192-W258 HydrophobicContact CB-CZ2 4.22Å; F192-W258 AromaticContact CD1-CZ2 3.86Å; F192-W258 HydrophobicContact CD1-CZ2 3.86Å; F192-W258 HydrophobicContact CE1-CZ2 4.49Å; F192-W258 HydrophobicContact CG-CZ2 4.07Å; P206-W258 PolarHBondContact O-NE1 2.87Å; S207-W258 PolarHBondContact O-NE1 2.88Å; L208-W258 HydrophobicContact CD2-CD2 4.32Å; L208-W258 HydrophobicContact CD2-CE3 4.1Å; L208-W258 HydrophobicContact CD2-CH2 3.29Å; L208-W258 HydrophobicContact CD2-CZ2 3.51Å; L208-W258 HydrophobicContact CD2-CZ3 3.59Å; L208-W258 HydrophobicContact CG-CH2 4.16Å; L208-W258 HydrophobicContact CG-CZ2 3.95Å; P209-W258 HydrophobicContact CG-CB 3.78Å; P209-W258 HydrophobicContact CG-CG 4.06Å; V224-W258 HydrophobicContact CG1-CH2 4.5Å; E249-W258 HydrophobicContact CB-CE3 3.96Å; E249-W258 HydrophobicContact CB-CZ3 4.2Å; M250-W258 CarbonylContact O-C 3.59Å; M250-W258 WeakPolarHBondContact O-CA 3.45Å; F251-W258 HydrophobicContact CB-CD2 3.79Å; F251-W258 HydrophobicContact CB-CE3 3.63Å; F251-W258 HydrophobicContact CB-CH2 3.71Å; F251-W258 HydrophobicContact CB-CZ2 3.89Å; F251-W258 HydrophobicContact CB-CZ3 3.6Å; F251-W258 AromaticContact CD2-CD1 3.67Å; F251-W258 AromaticContact CD2-CD2 3.7Å; F251-W258 HydrophobicContact CD2-CD2 3.7Å; F251-W258 AromaticContact CD2-CE2 3.55Å; F251-W258 HydrophobicContact CD2-CE3 4.42Å; F251-W258 AromaticContact CD2-CG 3.74Å; F251-W258 HydrophobicContact CD2-CG 3.74Å; F251-W258 HydrophobicContact CD2-CZ2 4.12Å; F251-W258 AromaticContact CD2-NE1 3.52Å; F251-W258 HydrophobicContact CG-CD2 4.25Å; F251-W258 HydrophobicContact CG-CZ2 4.31Å
259T88.1Confident91.2Very high60 Ų6066.4 Ų66.437%0.36833%0.328SS..EExtended strand (participates in β ladder)trans-97.5117.3165.5-56.80000109.3M250 L261M250-T259 PolarHBondContact N-O 3Å; M250-T259 PolarHBondContact O-N 3.14Å; T259-L261 HydrophobicContact CG2-CD2 3.97Å; T259-L261 PolarHBondContact O-N 3.16Å
260K76.7Confident91.4Very high132 Ų13270.8 Ų70.857%0.57435%0.347SS*.EExtended strand (participates in β ladder)trans-78.7108.7166.7-171.4173.8-172.2170.30108.5
261L81.8Confident91.5Very high11 Ų1170.4 Ų70.46%0.05835%0.346CS..  trans-68144.7-176.9-62.4-176.3000111.2V248 T259 L265V248-L261 HydrophobicContact CB-CD1 4.15Å; V248-L261 HydrophobicContact CG1-CD1 3.53Å; V248-L261 HydrophobicContact CG1-CG 4.44Å; T259-L261 HydrophobicContact CG2-CD2 3.97Å; T259-L261 PolarHBondContact O-N 3.16Å; L261-L265 HydrophobicContact CB-CB 3.9Å; L261-L265 HydrophobicContact CD1-CB 4.17Å; L261-L265 HydrophobicContact CD2-CD1 4.3Å
262P85.9Confident91.6Very high74 Ų7470.5 Ų70.548%0.48135%0.346SS..  trans-59161.2176.425.7-35.3000111.1S264 L265P262-S264 PolarHBondContact O-N 2.89Å; P262-S264 VanDerWaalsContact O-N 3.08Å; P262-L265 HydrophobicContact CG-CB 4.33Å; P262-L265 HydrophobicContact CG-CD1 4Å; P262-L265 HydrophobicContact CG-CG 4Å; P262-L265 PolarHBondContact O-N 3.32Å
263R85.6Confident91.8Very high210 Ų21070.9 Ų70.979%0.79235%0.348SS*.G310 helixtrans-56.1-30-178.5-71.7-176178.8160.30113.3L265 R266R263-L265 PolarHBondContact O-N 2.89Å; R263-R266 WeakPolarHBondContact O-CB 3.48Å; R263-R266 PolarHBondContact O-N 2.76Å
264S86.3Confident92Very high102 Ų10270.3 Ų70.371%0.71334%0.344SS*.G310 helixtrans-65.5-18.7175.950.60000114.2P262P262-S264 PolarHBondContact O-N 2.89Å; P262-S264 VanDerWaalsContact O-N 3.08Å
265L90.4Very high92.3Very high33 Ų3362.3 Ų62.317%0.17331%0.307CS..G310 helixtrans-110.517.6-179.5-63.7-172.7000112.7L261 P262 R263 F302 R307 W309L261-L265 HydrophobicContact CB-CB 3.9Å; L261-L265 HydrophobicContact CD1-CB 4.17Å; L261-L265 HydrophobicContact CD2-CD1 4.3Å; P262-L265 HydrophobicContact CG-CB 4.33Å; P262-L265 HydrophobicContact CG-CD1 4Å; P262-L265 HydrophobicContact CG-CG 4Å; P262-L265 PolarHBondContact O-N 3.32Å; R263-L265 PolarHBondContact O-N 2.89Å; L265-F302 HydrophobicContact CD2-CE2 4.36Å; L265-R307 WeakPolarHBondContact CD2-O 3.28Å; L265-W309 PolarHBondContact O-NE1 2.99Å
266R94.5Very high92.6Very high69 Ų6957 Ų5726%0.2628%0.284SS..SBendtrans-77.7159.3169.5-71.8-178.6179-154.7-0.6110.8N246 R263N246-R266 WeakPolarHBondContact O-CB 3.48Å; R263-R266 WeakPolarHBondContact O-CB 3.48Å; R263-R266 PolarHBondContact O-N 2.76Å
267M96.8Very high92.7Very high2 Ų256.1 Ų56.11%0.0128%0.275CS..  trans-58151.7166.7-71.5-173.4-54.400110.2L227 G228 N246 V248 R271 F274 A285 E300 W309L227-M267 HydrophobicContact CB-CE 4.07Å; L227-M267 HydrophobicContact CB-SD 4.06Å; L227-M267 HydrophobicContact CD1-SD 4.27Å; G228-M267 VanDerWaalsContact CA-CE 3.42Å; G228-M267 VanDerWaalsContact N-CE 3.28Å; N246-M267 HydrophobicContact CB-CB 4.01Å; N246-M267 VanDerWaalsContact CB-O 3.3Å; N246-M267 WeakPolarHBondContact CB-O 3.45Å; N246-M267 PolarHBondContact ND2-O 3.2Å; N246-M267 PolarHBondContact O-N 3.05Å; N246-M267 VanDerWaalsContact O-N 3.11Å; V248-M267 HydrophobicContact CG2-CG 3.93Å; M267-R271 HydrophobicContact CE-CG 3.72Å; M267-R271 HydrophobicContact SD-CG 4.26Å; M267-F274 HydrophobicContact CE-CZ 4.3Å; M267-A285 HydrophobicContact SD-CB 3.87Å; M267-E300 WeakPolarHBondContact CA-OE2 3.46Å; M267-E300 VanDerWaalsContact CB-OE2 3.25Å; M267-E300 WeakPolarHBondContact CB-OE2 3.25Å; M267-W309 HydrophobicContact CG-CD2 4.15Å; M267-W309 HydrophobicContact CG-CE3 4.15Å; M267-W309 HydrophobicContact CG-CH2 3.51Å; M267-W309 HydrophobicContact CG-CZ2 3.45Å; M267-W309 VanDerWaalsContact CG-CZ2 3.45Å; M267-W309 HydrophobicContact CG-CZ3 3.86Å; M267-W309 HydrophobicContact SD-CH2 3.99Å; M267-W309 HydrophobicContact SD-CZ2 4.39Å; M267-W309 HydrophobicContact SD-CZ3 4.39Å
268R95.2Very high92.7Very high149 Ų14955.4 Ų55.456%0.56227%0.27SS*.SBendtrans-68-49.3174.6-63-176.8-176.4-162.50.3109.8E300 W309R268-E300 PolarHBondContact N-OE1 3.48Å; R268-E300 PolarHBondContact N-OE2 2.96Å; R268-W309 PolarHBondContact NH2-O 2.79Å; R268-W309 VanDerWaalsContact NH2-O 3.17Å
269D96.6Very high92.7Very high58 Ų5854.1 Ų54.131%0.3127%0.266SS..SBendtrans-93.9143-179.8-64.1-43.3000112.3N246 R271 L296 S298 E300N246-D269 VanDerWaalsContact CB-O 3.25Å; N246-D269 WeakPolarHBondContact CB-O 3.23Å; D269-R271 PolarHBondContact O-N 2.86Å; D269-R271 IonicContact OD2-NH2 3.62Å; D269-R271 PolarHBondContact OD2-NH2 2.97Å; D269-R271 VanDerWaalsContact OD2-NH2 3.09Å; D269-L296 HydrophobicContact CB-CD1 4.33Å; D269-S298 WeakPolarHBondContact OD2-CB 3.5Å; D269-S298 PolarHBondContact OD2-OG 3.07Å; D269-E300 PolarHBondContact N-OE1 2.83Å
270K97.7Very high92.8Very high93 Ų9353.6 Ų53.640%0.40427%0.272SS..  trans-78.5117.3163.4-65.2170.6172.8-175.10107.2F244 N246 G290F244-K270 HydrophobicContact CB-CB 3.86Å; F244-K270 WeakPolarHBondContact O-CD 3.29Å; N246-K270 HydrophobicContact CB-CG 4.04Å; K270-G290 WeakPolarHBondContact O-CA 3.39Å
271R98.1Very high93.6Very high0 Ų048.4 Ų48.40%026%0.256CS..  trans-141.7148-174.960.5177.280.7-126.75.7112.3G228 G229 V245 M267 D269 F274 G287 L289 L296 S298 E300G228-R271 CarbonylContact C-O 3.44Å; G228-R271 WeakPolarHBondContact CA-O 3.23Å; G229-R271 PolarHBondContact N-O 3.42Å; V245-R271 PolarHBondContact O-N 3.07Å; M267-R271 HydrophobicContact CE-CG 3.72Å; M267-R271 HydrophobicContact SD-CG 4.26Å; D269-R271 PolarHBondContact O-N 2.86Å; D269-R271 IonicContact OD2-NH2 3.62Å; D269-R271 PolarHBondContact OD2-NH2 2.97Å; D269-R271 VanDerWaalsContact OD2-NH2 3.09Å; R271-F274 HydrophobicContact CB-CD1 3.97Å; R271-F274 HydrophobicContact CB-CE1 4.38Å; R271-F274 HydrophobicContact CB-CG 4.44Å; R271-F274 HydrophobicContact CG-CD1 3.6Å; R271-F274 HydrophobicContact CG-CD2 4.37Å; R271-F274 HydrophobicContact CG-CE1 3.67Å; R271-F274 HydrophobicContact CG-CE2 4.4Å; R271-F274 HydrophobicContact CG-CG 3.99Å; R271-F274 HydrophobicContact CG-CZ 4.06Å; R271-F274 WeakPolarHBondContact O-CE1 3.49Å; R271-G287 PolarHBondContact NH1-O 2.86Å; R271-L289 CarbonylContact C-O 3.44Å; R271-L289 WeakPolarHBondContact CA-O 3.49Å; R271-L296 HydrophobicContact CB-CD1 3.73Å; R271-S298 PolarHBondContact NH1-O 2.77Å; R271-S298 PolarHBondContact NH1-OG 3.32Å; R271-S298 PolarHBondContact NH2-OG 2.84Å; R271-S298 VanDerWaalsContact NH2-OG 3.07Å; R271-E300 IonicContact CZ-OE1 3.33Å; R271-E300 IonicContact NE-OE1 3.8Å; R271-E300 PolarHBondContact NE-OE1 2.75Å; R271-E300 IonicContact NH2-OE1 2.61Å; R271-E300 PolarHBondContact NH2-OE1 3.03Å
272A97.8Very high94.2Very high1 Ų148.9 Ų48.91%0.00826%0.258CS..BIsolated β-bridgetrans-139.5161.317000000109.6F214 F244 F274 G288 L289F214-A272 HydrophobicContact CB-CB 4.09Å; F214-A272 WeakPolarHBondContact O-CA 3.41Å; F244-A272 HydrophobicContact CD1-CB 3.55Å; F244-A272 HydrophobicContact CE1-CB 3.68Å; A272-F274 VanDerWaalsContact C-N 3.27Å; A272-F274 PolarHBondContact O-N 3.38Å; A272-G288 CarbonylContact O-C 3.56Å; A272-G288 WeakPolarHBondContact O-CA 3.35Å; A272-L289 PolarHBondContact N-O 2.81Å; A272-L289 PolarHBondContact O-N 3.35Å
273D97.2Very high94.7Very high43 Ų4345.3 Ų45.323%0.2324%0.235CC..SBendtrans53.545.2177.9-166.639.5000113.1F214 G288 L289 C320 S321F214-D273 HydrophobicContact CB-CB 4.2Å; F214-D273 PolarHBondContact O-N 3.04Å; D273-G288 WeakPolarHBondContact O-CA 3.41Å; D273-L289 HydrophobicContact CB-CD1 4.46Å; D273-C320 WeakPolarHBondContact O-CB 3.3Å; D273-S321 PolarHBondContact O-N 2.99Å; D273-S321 WeakPolarHBondContact OD2-CA 3.43Å; D273-S321 WeakPolarHBondContact OD2-CB 3.38Å; D273-S321 PolarHBondContact OD2-N 3.08Å; D273-S321 PolarHBondContact OD2-OG 3.03Å
274F98.4Very high95.3Very high20 Ų2035.3 Ų35.39%0.08820%0.198CC..  trans-114.1162.6-177.159.2-84.6000110.5L227 M267 R271 A272 V276 A285 I286 G287L227-F274 HydrophobicContact CB-CE2 4.16Å; L227-F274 HydrophobicContact CB-CZ 3.75Å; L227-F274 HydrophobicContact CD1-CE2 4.46Å; L227-F274 VanDerWaalsContact O-CZ 3.3Å; L227-F274 WeakPolarHBondContact O-CZ 3.49Å; M267-F274 HydrophobicContact CE-CZ 4.3Å; R271-F274 HydrophobicContact CB-CD1 3.97Å; R271-F274 HydrophobicContact CB-CE1 4.38Å; R271-F274 HydrophobicContact CB-CG 4.44Å; R271-F274 HydrophobicContact CG-CD1 3.6Å; R271-F274 HydrophobicContact CG-CD2 4.37Å; R271-F274 HydrophobicContact CG-CE1 3.67Å; R271-F274 HydrophobicContact CG-CE2 4.4Å; R271-F274 HydrophobicContact CG-CG 3.99Å; R271-F274 HydrophobicContact CG-CZ 4.06Å; R271-F274 WeakPolarHBondContact O-CE1 3.49Å; A272-F274 VanDerWaalsContact C-N 3.27Å; A272-F274 PolarHBondContact O-N 3.38Å; F274-V276 HydrophobicContact CD2-CB 4.43Å; F274-V276 HydrophobicContact CE2-CB 4.11Å; F274-A285 HydrophobicContact CD2-CB 3.94Å; F274-A285 HydrophobicContact CE2-CB 3.81Å; F274-I286 WeakPolarHBondContact CB-O 3.48Å; F274-G287 VanDerWaalsContact CB-O 3.26Å; F274-G287 WeakPolarHBondContact CB-O 3.36Å
275V98.4Very high95.9Very high5 Ų530.5 Ų30.53%0.0316%0.164CC..EExtended strand (participates in β ladder)trans-81.9134.5172.8173.70000109.7I286 C322 S324 L331 V333V275-I286 HydrophobicContact CB-CB 4.24Å; V275-I286 HydrophobicContact CG1-CD1 4.48Å; V275-I286 PolarHBondContact N-O 3.32Å; V275-I286 PolarHBondContact O-N 3.25Å; V275-C322 HydrophobicContact CG2-CB 3.76Å; V275-S324 VanDerWaalsContact CG1-CB 3.47Å; V275-L331 HydrophobicContact CG1-CD1 4.16Å; V275-L331 HydrophobicContact CG1-CD2 4.31Å; V275-L331 HydrophobicContact CG1-CG 4.25Å; V275-V333 HydrophobicContact CB-CG2 4.26Å; V275-V333 HydrophobicContact CG1-CG2 4.17Å; V275-V333 HydrophobicContact CG2-CG1 3.96Å; V275-V333 HydrophobicContact CG2-CG2 4.19Å
276V97.6Very high96.3Very high20 Ų2029 Ų2912%0.12116%0.156CC..EExtended strand (participates in β ladder)trans-127.1145.6172.367.10000109.8C217 A218 L227 F274 I283 V284C217-V276 WeakPolarHBondContact O-CG1 3.41Å; A218-V276 HydrophobicContact CB-CG1 4.38Å; A218-V276 HydrophobicContact CB-CG2 3.75Å; L227-V276 HydrophobicContact CD1-CG2 3.55Å; L227-V276 HydrophobicContact CG-CG2 4.48Å; F274-V276 HydrophobicContact CD2-CB 4.43Å; F274-V276 HydrophobicContact CE2-CB 4.11Å; V276-I283 HydrophobicContact CG2-CG2 4.14Å; V276-V284 VanDerWaalsContact CA-O 3.24Å; V276-V284 WeakPolarHBondContact CA-O 3.31Å; V276-V284 WeakPolarHBondContact CG2-O 3.48Å
277G95.9Very high96.5Very high9 Ų925.7 Ų25.79%0.09314%0.143CC..EExtended strand (participates in β ladder)trans-163.6176.9174.300000112.5V284G277-V284 PolarHBondContact N-O 3.2Å; G277-V284 VanDerWaalsContact N-O 3.13Å; G277-V284 PolarHBondContact O-N 3.34Å
278S94.6Very high96.5Very high39 Ų3925.7 Ų25.727%0.27314%0.143SC..EExtended strand (participates in β ladder)trans-110.2125.8175.2-179.60000109.5A220 H282 Q326A220-S278 WeakPolarHBondContact CB-OG 3.4Å; S278-H282 CarbonylContact C-O 3.55Å; S278-H282 WeakPolarHBondContact CA-O 3.27Å; S278-Q326 PolarHBondContact O-OE1 2.99Å
279L93.9Very high96.7Very high7 Ų721.6 Ų21.64%0.03713%0.133CC..EExtended strand (participates in β ladder)trans-142.5112.4-178.4-17661.4000110.7F9 G281 H282 V284 P329 L348 L350F9-L279 HydrophobicContact CD1-CD2 4.03Å; F9-L279 HydrophobicContact CE1-CB 4.43Å; F9-L279 HydrophobicContact CE1-CD2 3.83Å; F9-L279 HydrophobicContact CE1-CG 4.1Å; L279-G281 PolarHBondContact O-N 3.34Å; L279-H282 PolarHBondContact N-O 2.9Å; L279-H282 WeakPolarHBondContact O-CB 3.08Å; L279-H282 PolarHBondContact O-N 3.24Å; L279-H282 VanDerWaalsContact O-N 3.11Å; L279-V284 HydrophobicContact CB-CG2 4.14Å; L279-P329 WeakPolarHBondContact CD1-O 3.46Å; L279-L348 HydrophobicContact CD2-CD2 4.36Å; L279-L348 HydrophobicContact CD2-CG 4.25Å; L279-L350 HydrophobicContact CG-CB 4.39Å
280G90.3Very high96.6Very high48 Ų4819.2 Ų19.250%0.49512%0.121SC..THydrogen-bonded Turntrans60.538.7171.800000115.5H282G280-H282 VanDerWaalsContact C-N 3.35Å; G280-H282 PolarHBondContact O-CD2 2.79Å
281G91.8Very high96.5Very high24 Ų2420 Ų2025%0.24713%0.13CC..THydrogen-bonded Turntrans81.714.9-176.800000113.7L279 L304L279-G281 PolarHBondContact O-N 3.34Å; G281-L304 WeakPolarHBondContact O-CB 3.42Å; G281-L304 WeakPolarHBondContact O-CG 3.37Å; G281-L304 PolarHBondContact O-N 3.28Å; G281-L304 VanDerWaalsContact O-N 3.08Å
282H94.8Very high96.2Very high20 Ų2025.9 Ų25.99%0.09316%0.157CC..EExtended strand (participates in β ladder)trans-122140.5176.5-67.2-123.7000110.9F9 S278 L279 G280 V284 S301 F302 E310F9-H282 AromaticContact CE2-CE1 3.96Å; F9-H282 AromaticContact CE2-ND1 3.86Å; F9-H282 HydrophobicContact CZ-CB 3.95Å; F9-H282 AromaticContact CZ-CD2 4Å; F9-H282 AromaticContact CZ-CG 3.68Å; F9-H282 AromaticContact CZ-ND1 3.82Å; S278-H282 CarbonylContact C-O 3.55Å; S278-H282 WeakPolarHBondContact CA-O 3.27Å; L279-H282 PolarHBondContact N-O 2.9Å; L279-H282 WeakPolarHBondContact O-CB 3.08Å; L279-H282 PolarHBondContact O-N 3.24Å; L279-H282 VanDerWaalsContact O-N 3.11Å; G280-H282 VanDerWaalsContact C-N 3.35Å; G280-H282 PolarHBondContact O-CD2 2.79Å; H282-V284 HydrophobicContact CB-CG2 4.35Å; H282-S301 PolarHBondContact ND1-OG 2.53Å; H282-F302 VanDerWaalsContact CA-O 3.27Å; H282-F302 WeakPolarHBondContact CA-O 3.11Å; H282-E310 IonicContact CE1-OE1 3.75Å; H282-E310 PolarHBondContact CE1-OE1 3.15Å; H282-E310 IonicContact ND1-OE1 3.54Å
283I96.9Very high95.9Very high0 Ų032.2 Ų32.20%020%0.198CC..EExtended strand (participates in β ladder)trans-87.9122.9161.6-59.9-62.3000107.7A218 A220 F225 L227 V276 S301 F302A218-I283 HydrophobicContact CB-CD1 4.13Å; A218-I283 HydrophobicContact CB-CG2 4.43Å; A220-I283 HydrophobicContact CB-CD1 3.48Å; A220-I283 VanDerWaalsContact CB-CD1 3.48Å; A220-I283 HydrophobicContact CB-CG1 4.45Å; F225-I283 HydrophobicContact CD1-CG1 4.23Å; F225-I283 HydrophobicContact CD2-CD1 3.65Å; F225-I283 HydrophobicContact CD2-CG1 3.64Å; F225-I283 HydrophobicContact CE1-CG1 4.28Å; F225-I283 HydrophobicContact CE2-CD1 3.91Å; F225-I283 HydrophobicContact CE2-CG1 3.7Å; F225-I283 HydrophobicContact CG-CD1 4.27Å; F225-I283 HydrophobicContact CG-CG1 3.93Å; F225-I283 HydrophobicContact CZ-CG1 4.03Å; L227-I283 HydrophobicContact CD1-CG2 3.73Å; V276-I283 HydrophobicContact CG2-CG2 4.14Å; I283-S301 CarbonylContact O-C 3.46Å; I283-S301 WeakPolarHBondContact O-CA 3.44Å; I283-S301 WeakPolarHBondContact O-CB 3.38Å; I283-F302 HydrophobicContact CB-CB 4.36Å; I283-F302 PolarHBondContact N-O 3.42Å; I283-F302 PolarHBondContact O-N 3.05Å
284V97.8Very high95.8Very high0 Ų033.3 Ų33.30%021%0.209CC..EExtended strand (participates in β ladder)trans-110.3136.8-175.6-173.50000110F9 V276 G277 L279 H282 I286 V299 L312 L331 L348F9-V284 HydrophobicContact CE1-CG2 4.37Å; V276-V284 VanDerWaalsContact CA-O 3.24Å; V276-V284 WeakPolarHBondContact CA-O 3.31Å; V276-V284 WeakPolarHBondContact CG2-O 3.48Å; G277-V284 PolarHBondContact N-O 3.2Å; G277-V284 VanDerWaalsContact N-O 3.13Å; G277-V284 PolarHBondContact O-N 3.34Å; L279-V284 HydrophobicContact CB-CG2 4.14Å; H282-V284 HydrophobicContact CB-CG2 4.35Å; V284-I286 HydrophobicContact CG1-CD1 4.13Å; V284-I286 HydrophobicContact CG1-CG1 3.69Å; V284-V299 HydrophobicContact CG1-CG1 3.94Å; V284-L312 HydrophobicContact CG1-CD1 4.21Å; V284-L331 HydrophobicContact CB-CD2 4.33Å; V284-L348 HydrophobicContact CG1-CD2 3.63Å; V284-L348 HydrophobicContact CG2-CD2 4.4Å
285A98.5Very high95.8Very high0 Ų033.2 Ų33.20%021%0.21CC..EExtended strand (participates in β ladder)trans-118.7125.7170.200000110.3L227 M267 F274 V299 E300L227-A285 HydrophobicContact CD1-CB 4.48Å; M267-A285 HydrophobicContact SD-CB 3.87Å; F274-A285 HydrophobicContact CD2-CB 3.94Å; F274-A285 HydrophobicContact CE2-CB 3.81Å; A285-V299 WeakPolarHBondContact O-CA 3.35Å; A285-E300 HydrophobicContact CB-CG 4.26Å; A285-E300 PolarHBondContact N-O 2.85Å; A285-E300 PolarHBondContact O-N 3.09Å; A285-E300 VanDerWaalsContact O-N 3.08Å
286I98.7Very high95.8Very high2 Ų234 Ų341%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-125.8119.1-170.8-47.4-179.8000110.3W11 F274 V275 V284 V299 M315 L331 V333 L348W11-I286 HydrophobicContact CH2-CD1 4.02Å; W11-I286 HydrophobicContact CH2-CG2 3.71Å; W11-I286 HydrophobicContact CZ2-CG2 3.94Å; F274-I286 WeakPolarHBondContact CB-O 3.48Å; V275-I286 HydrophobicContact CB-CB 4.24Å; V275-I286 HydrophobicContact CG1-CD1 4.48Å; V275-I286 PolarHBondContact N-O 3.32Å; V275-I286 PolarHBondContact O-N 3.25Å; V284-I286 HydrophobicContact CG1-CD1 4.13Å; V284-I286 HydrophobicContact CG1-CG1 3.69Å; I286-V299 HydrophobicContact CG1-CG1 4Å; I286-V299 HydrophobicContact CG2-CG2 4.01Å; I286-M315 HydrophobicContact CG2-CB 4.15Å; I286-M315 HydrophobicContact CG2-CG 4.36Å; I286-M315 HydrophobicContact CG2-SD 3.62Å; I286-L331 HydrophobicContact CD1-CD2 3.77Å; I286-L331 HydrophobicContact CD1-CG 4.22Å; I286-V333 HydrophobicContact CD1-CG2 3.89Å; I286-V333 HydrophobicContact CG2-CG2 4.2Å; I286-L348 HydrophobicContact CD1-CB 4.2Å; I286-L348 HydrophobicContact CD1-CD2 4.26Å
287G98.5Very high95.8Very high0 Ų033.9 Ų33.90%022%0.217CC..  trans64-139.7170.800000114.8R271 F274 L296 S298R271-G287 PolarHBondContact NH1-O 2.86Å; F274-G287 VanDerWaalsContact CB-O 3.26Å; F274-G287 WeakPolarHBondContact CB-O 3.36Å; G287-L296 WeakPolarHBondContact CA-O 3.48Å; G287-S298 PolarHBondContact N-O 3.46Å
288G98.3Very high95.9Very high1 Ų135 Ų351%0.0122%0.224CC..  trans89.6-166.7-177.500000114.8A272 D273 P295 L296 R319A272-G288 CarbonylContact O-C 3.56Å; A272-G288 WeakPolarHBondContact O-CA 3.35Å; D273-G288 WeakPolarHBondContact O-CA 3.41Å; G288-P295 CarbonylContact O-C 3.57Å; G288-P295 WeakPolarHBondContact O-CA 3.3Å; G288-L296 WeakPolarHBondContact O-CB 3.26Å; G288-L296 PolarHBondContact O-N 3.41Å; G288-R319 PolarHBondContact N-O 3.39Å
289L97.9Very high96.1Very high64 Ų6433.4 Ų33.434%0.33521%0.212SC..BIsolated β-bridgetrans-94.6137.4178.5-62.5175.5000110.5F244 R271 A272 D273 P295 C320F244-L289 HydrophobicContact CE1-CB 4.03Å; F244-L289 HydrophobicContact CZ-CB 3.94Å; R271-L289 CarbonylContact C-O 3.44Å; R271-L289 WeakPolarHBondContact CA-O 3.49Å; A272-L289 PolarHBondContact N-O 2.81Å; A272-L289 PolarHBondContact O-N 3.35Å; D273-L289 HydrophobicContact CB-CD1 4.46Å; L289-P295 HydrophobicContact CD2-CG 4.5Å; L289-C320 HydrophobicContact CD2-CB 3.88Å; L289-C320 VanDerWaalsContact CD2-SG 3.58Å; L289-C320 HydrophobicContact CG-CB 3.76Å
290G96Very high96.3Very high7 Ų733.1 Ų33.17%0.07221%0.211CC..  trans-133.1-160.8172.200000111.2F244 K270 Q292F244-G290 WeakPolarHBondContact CD2-O 3.42Å; F244-G290 WeakPolarHBondContact CE2-O 3.35Å; K270-G290 WeakPolarHBondContact O-CA 3.39Å; G290-Q292 PolarHBondContact O-N 2.71Å; G290-Q292 VanDerWaalsContact O-N 3.16Å
291N95Very high96.6Very high109 Ų10930.9 Ų30.958%0.58319%0.187SC*.SBendtrans-71.7-3.8177.1-69.7-12.9000113.8F244F244-N291 WeakPolarHBondContact CD2-OD1 3.47Å
292Q92.8Very high96.8Very high124 Ų12429.7 Ų29.758%0.57918%0.176SC*.SBendtrans-83.1154.9-179.6-60.4-57.7-33.500110.6G290 C294 L296G290-Q292 PolarHBondContact O-N 2.71Å; G290-Q292 VanDerWaalsContact O-N 3.16Å; Q292-C294 PolarHBondContact O-N 3Å; Q292-L296 HydrophobicContact CG-CD2 4.24Å
293P91.6Very high96.8Very high134 Ų13429 Ų2987%0.8717%0.173SC*.SBendtrans-71.3-14.4-179.829.4-36.1000113.7
294C94.9Very high96.5Very high67 Ų6729.8 Ų29.845%0.45318%0.177SC..SBendtrans-119159.8176.357.90000111Q292Q292-C294 PolarHBondContact O-N 3Å
295P97.8Very high96.3Very high18 Ų1834.3 Ų34.312%0.11722%0.215CC..  trans-54.8147.4171.3-25.835.7000112.2G288 L289 A318 C320G288-P295 CarbonylContact O-C 3.57Å; G288-P295 WeakPolarHBondContact O-CA 3.3Å; L289-P295 HydrophobicContact CD2-CG 4.5Å; P295-A318 WeakPolarHBondContact O-CB 3.32Å; P295-C320 HydrophobicContact CB-CB 4.47Å
296L98.2Very high96Very high20 Ų2041.2 Ų41.211%0.10524%0.241CC..  trans-71.3136.7177.1-58175.2000109.9D269 R271 G287 G288 Q292D269-L296 HydrophobicContact CB-CD1 4.33Å; R271-L296 HydrophobicContact CB-CD1 3.73Å; G287-L296 WeakPolarHBondContact CA-O 3.48Å; G288-L296 WeakPolarHBondContact O-CB 3.26Å; G288-L296 PolarHBondContact O-N 3.41Å; Q292-L296 HydrophobicContact CG-CD2 4.24Å
297G97.8Very high95.6Very high19 Ų1946.6 Ų46.620%0.19626%0.261CS..  trans-96-4.1163.400000112.6A314 M315G297-A314 CarbonylContact O-C 3.59Å; G297-A314 WeakPolarHBondContact O-CA 3.43Å; G297-A314 WeakPolarHBondContact O-CB 3.1Å; G297-M315 PolarHBondContact O-N 2.88Å
298S98.4Very high95.4Very high33 Ų3353.4 Ų53.423%0.23129%0.286CS..  trans-71.6144.4-174.863.70000112.1D269 R271 G287D269-S298 WeakPolarHBondContact OD2-CB 3.5Å; D269-S298 PolarHBondContact OD2-OG 3.07Å; R271-S298 PolarHBondContact NH1-O 2.77Å; R271-S298 PolarHBondContact NH1-OG 3.32Å; R271-S298 PolarHBondContact NH2-OG 2.84Å; R271-S298 VanDerWaalsContact NH2-OG 3.07Å; G287-S298 PolarHBondContact N-O 3.46Å
299V98.6Very high95.2Very high4 Ų454.2 Ų54.22%0.02429%0.289CS..EExtended strand (participates in β ladder)trans-130133.8179.8-169.50000108.2W11 V284 A285 I286 L312 P313 M315 L348W11-V299 HydrophobicContact CZ2-CG2 3.83Å; V284-V299 HydrophobicContact CG1-CG1 3.94Å; A285-V299 WeakPolarHBondContact O-CA 3.35Å; I286-V299 HydrophobicContact CG1-CG1 4Å; I286-V299 HydrophobicContact CG2-CG2 4.01Å; V299-L312 HydrophobicContact CB-CB 4.01Å; V299-L312 HydrophobicContact CG1-CB 3.79Å; V299-L312 HydrophobicContact CG1-CD1 4.12Å; V299-L312 HydrophobicContact CG1-CG 4.38Å; V299-L312 PolarHBondContact O-N 2.76Å; V299-P313 VanDerWaalsContact CG2-O 3.28Å; V299-P313 WeakPolarHBondContact CG2-O 3.33Å; V299-M315 HydrophobicContact CG2-CB 4.18Å; V299-L348 HydrophobicContact CG1-CD2 4.32Å
300E98.2Very high95.1Very high2 Ų253 Ų531%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-141.2151.6176.659-177111.900110.1M267 R268 D269 R271 A285 W309 E310M267-E300 WeakPolarHBondContact CA-OE2 3.46Å; M267-E300 VanDerWaalsContact CB-OE2 3.25Å; M267-E300 WeakPolarHBondContact CB-OE2 3.25Å; R268-E300 PolarHBondContact N-OE1 3.48Å; R268-E300 PolarHBondContact N-OE2 2.96Å; D269-E300 PolarHBondContact N-OE1 2.83Å; R271-E300 IonicContact CZ-OE1 3.33Å; R271-E300 IonicContact NE-OE1 3.8Å; R271-E300 PolarHBondContact NE-OE1 2.75Å; R271-E300 IonicContact NH2-OE1 2.61Å; R271-E300 PolarHBondContact NH2-OE1 3.03Å; A285-E300 HydrophobicContact CB-CG 4.26Å; A285-E300 PolarHBondContact N-O 2.85Å; A285-E300 PolarHBondContact O-N 3.09Å; A285-E300 VanDerWaalsContact O-N 3.08Å; E300-W309 HydrophobicContact CB-CE3 4.06Å; E300-W309 HydrophobicContact CB-CZ3 4.46Å; E300-W309 HydrophobicContact CG-CE3 3.83Å; E300-W309 HydrophobicContact CG-CZ3 3.89Å; E300-E310 CarbonylContact C-O 3.55Å; E300-E310 VanDerWaalsContact CA-O 3.28Å; E300-E310 WeakPolarHBondContact CA-O 3.35Å
301S96.9Very high95.1Very high0 Ų055.5 Ų55.50%030%0.301CS..EExtended strand (participates in β ladder)trans-134.8145177.277.40000112.5H282 I283 W309 E310H282-S301 PolarHBondContact ND1-OG 2.53Å; I283-S301 CarbonylContact O-C 3.46Å; I283-S301 WeakPolarHBondContact O-CA 3.44Å; I283-S301 WeakPolarHBondContact O-CB 3.38Å; S301-W309 CarbonylContact O-C 3.48Å; S301-W309 VanDerWaalsContact O-CA 3.26Å; S301-W309 WeakPolarHBondContact O-CA 3.5Å; S301-E310 PolarHBondContact N-O 3.37Å; S301-E310 PolarHBondContact O-N 3.22Å
302F96.1Very high95.3Very high0 Ų051.3 Ų51.30%028%0.279CS..EExtended strand (participates in β ladder)trans-95.8113.1170.8-175.5-104.9000109.1F225 L265 H282 I283 L304 R307 W309F225-F302 HydrophobicContact CE1-CD1 4.18Å; F225-F302 HydrophobicContact CE1-CE1 4.28Å; L265-F302 HydrophobicContact CD2-CE2 4.36Å; H282-F302 VanDerWaalsContact CA-O 3.27Å; H282-F302 WeakPolarHBondContact CA-O 3.11Å; I283-F302 HydrophobicContact CB-CB 4.36Å; I283-F302 PolarHBondContact N-O 3.42Å; I283-F302 PolarHBondContact O-N 3.05Å; F302-L304 HydrophobicContact CD1-CD2 4.06Å; F302-L304 HydrophobicContact CE1-CD2 4.11Å; F302-L304 PolarHBondContact O-N 2.86Å; F302-R307 VanDerWaalsContact CE2-C 3.45Å; F302-R307 HydrophobicContact CZ-CB 4.3Å; F302-W309 HydrophobicContact CB-CD2 3.84Å; F302-W309 HydrophobicContact CB-CE3 4.02Å; F302-W309 HydrophobicContact CB-CG 4.48Å; F302-W309 HydrophobicContact CB-CH2 3.86Å; F302-W309 HydrophobicContact CB-CZ2 3.7Å; F302-W309 HydrophobicContact CB-CZ3 4.03Å; F302-W309 AromaticContact CD2-CD1 3.71Å; F302-W309 HydrophobicContact CD2-CD2 4.23Å; F302-W309 AromaticContact CD2-CE2 3.9Å; F302-W309 HydrophobicContact CD2-CG 4.11Å; F302-W309 AromaticContact CD2-NE1 3.55Å; F302-W309 HydrophobicContact CG-CZ2 4.38Å
303S94.1Very high95.5Very high4 Ų448.7 Ų48.73%0.02827%0.273CS..EExtended strand (participates in β ladder)trans-74.2120.5172.7176.90000109.4A305 R306 R307 R308S303-A305 VanDerWaalsContact C-N 3.33Å; S303-R306 PolarHBondContact OG-N 2.61Å; S303-R307 VanDerWaalsContact O-CA 3.26Å; S303-R307 WeakPolarHBondContact O-CA 3.49Å; S303-R307 PolarHBondContact O-N 3.44Å; S303-R308 PolarHBondContact N-O 2.52Å
304L91.6Very high95.8Very high17 Ų1745.4 Ų45.49%0.08926%0.257CS..THydrogen-bonded Turntrans-65.4-39.9177.8-64.8170.6000111.1A220 E221 F225 G281 F302 R307A220-L304 HydrophobicContact CB-CD1 3.78Å; E221-L304 HydrophobicContact CB-CD1 4.17Å; E221-L304 HydrophobicContact CG-CD1 3.83Å; E221-L304 WeakPolarHBondContact OE2-CD1 3.5Å; F225-L304 HydrophobicContact CE1-CD2 4.48Å; F225-L304 HydrophobicContact CE2-CD2 4.06Å; F225-L304 HydrophobicContact CZ-CD2 3.54Å; G281-L304 WeakPolarHBondContact O-CB 3.42Å; G281-L304 WeakPolarHBondContact O-CG 3.37Å; G281-L304 PolarHBondContact O-N 3.28Å; G281-L304 VanDerWaalsContact O-N 3.08Å; F302-L304 HydrophobicContact CD1-CD2 4.06Å; F302-L304 HydrophobicContact CE1-CD2 4.11Å; F302-L304 PolarHBondContact O-N 2.86Å; L304-R307 WeakPolarHBondContact O-CD 3.44Å; L304-R307 WeakPolarHBondContact O-CG 3.08Å
305A92.1Very high95.9Very high96 Ų9642.6 Ų42.679%0.79324%0.238SC*.THydrogen-bonded Turntrans-67.7-45.5177.700000113.3S303S303-A305 VanDerWaalsContact C-N 3.33Å
306R92.1Very high95.9Very high145 Ų14544.9 Ų44.955%0.54725%0.252SS..THydrogen-bonded Turntrans-88.3-9.6-177.6-58.4-178.4-173.5121.15.9113.6S303 R308 E310S303-R306 PolarHBondContact OG-N 2.61Å; R306-R308 VanDerWaalsContact C-N 3.3Å; R306-R308 HydrophobicContact CB-CG 3.99Å; R306-R308 PolarHBondContact O-N 2.99Å; R306-E310 IonicContact NH1-OE2 3.18Å; R306-E310 PolarHBondContact NH1-OE2 3.41Å
307R91.3Very high95.9Very high115 Ų11546.7 Ų46.743%0.43426%0.264SS..THydrogen-bonded Turntrans51.145.2-178.2-57.1-74.8-78.3-177.6-7.2112.5L265 F302 S303 L304L265-R307 WeakPolarHBondContact CD2-O 3.28Å; F302-R307 VanDerWaalsContact CE2-C 3.45Å; F302-R307 HydrophobicContact CZ-CB 4.3Å; S303-R307 VanDerWaalsContact O-CA 3.26Å; S303-R307 WeakPolarHBondContact O-CA 3.49Å; S303-R307 PolarHBondContact O-N 3.44Å; L304-R307 WeakPolarHBondContact O-CD 3.44Å; L304-R307 WeakPolarHBondContact O-CG 3.08Å
308R93.3Very high95.9Very high142 Ų14247.5 Ų47.554%0.53627%0.269SS..EExtended strand (participates in β ladder)trans-149.7155-179.672-177.4-172.1-176.40.2112.9S303 R306S303-R308 PolarHBondContact N-O 2.52Å; R306-R308 VanDerWaalsContact C-N 3.3Å; R306-R308 HydrophobicContact CB-CG 3.99Å; R306-R308 PolarHBondContact O-N 2.99Å
309W95.7Very high95.9Very high19 Ų1946 Ų467%0.07226%0.258CS..EExtended strand (participates in β ladder)trans-85.3130.9173.2-71.393.4000112.5L227 V248 L265 M267 R268 E300 S301 F302L227-W309 HydrophobicContact CD1-CH2 3.98Å; L227-W309 HydrophobicContact CD2-CH2 4.29Å; L227-W309 HydrophobicContact CD2-CZ2 4.13Å; V248-W309 HydrophobicContact CG1-CZ2 4.32Å; V248-W309 HydrophobicContact CG2-CZ2 3.66Å; L265-W309 PolarHBondContact O-NE1 2.99Å; M267-W309 HydrophobicContact CG-CD2 4.15Å; M267-W309 HydrophobicContact CG-CE3 4.15Å; M267-W309 HydrophobicContact CG-CH2 3.51Å; M267-W309 HydrophobicContact CG-CZ2 3.45Å; M267-W309 VanDerWaalsContact CG-CZ2 3.45Å; M267-W309 HydrophobicContact CG-CZ3 3.86Å; M267-W309 HydrophobicContact SD-CH2 3.99Å; M267-W309 HydrophobicContact SD-CZ2 4.39Å; M267-W309 HydrophobicContact SD-CZ3 4.39Å; R268-W309 PolarHBondContact NH2-O 2.79Å; R268-W309 VanDerWaalsContact NH2-O 3.17Å; E300-W309 HydrophobicContact CB-CE3 4.06Å; E300-W309 HydrophobicContact CB-CZ3 4.46Å; E300-W309 HydrophobicContact CG-CE3 3.83Å; E300-W309 HydrophobicContact CG-CZ3 3.89Å; S301-W309 CarbonylContact O-C 3.48Å; S301-W309 VanDerWaalsContact O-CA 3.26Å; S301-W309 WeakPolarHBondContact O-CA 3.5Å; F302-W309 HydrophobicContact CB-CD2 3.84Å; F302-W309 HydrophobicContact CB-CE3 4.02Å; F302-W309 HydrophobicContact CB-CG 4.48Å; F302-W309 HydrophobicContact CB-CH2 3.86Å; F302-W309 HydrophobicContact CB-CZ2 3.7Å; F302-W309 HydrophobicContact CB-CZ3 4.03Å; F302-W309 AromaticContact CD2-CD1 3.71Å; F302-W309 HydrophobicContact CD2-CD2 4.23Å; F302-W309 AromaticContact CD2-CE2 3.9Å; F302-W309 HydrophobicContact CD2-CG 4.11Å; F302-W309 AromaticContact CD2-NE1 3.55Å; F302-W309 HydrophobicContact CG-CZ2 4.38Å
310E95Very high95.8Very high38 Ų3846.1 Ų46.118%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-122.5141.7173.256.9-170.3-148.700110.9H282 E300 S301 R306 L312H282-E310 IonicContact CE1-OE1 3.75Å; H282-E310 PolarHBondContact CE1-OE1 3.15Å; H282-E310 IonicContact ND1-OE1 3.54Å; E300-E310 CarbonylContact C-O 3.55Å; E300-E310 VanDerWaalsContact CA-O 3.28Å; E300-E310 WeakPolarHBondContact CA-O 3.35Å; S301-E310 PolarHBondContact N-O 3.37Å; S301-E310 PolarHBondContact O-N 3.22Å; R306-E310 IonicContact NH1-OE2 3.18Å; R306-E310 PolarHBondContact NH1-OE2 3.41Å; E310-L312 HydrophobicContact CG-CD2 4.26Å
311A96.8Very high95.8Very high59 Ų5946.8 Ų46.849%0.48826%0.264SS..EExtended strand (participates in β ladder)trans-73.6137.7171.700000108.8
312L97.3Very high95.9Very high22 Ų2247.8 Ų47.812%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-109168.4175-61.2-168.4000109.7F9 V284 V299 E310 A314 L348F9-L312 HydrophobicContact CB-CD1 4.16Å; F9-L312 HydrophobicContact CB-CD2 4.28Å; F9-L312 HydrophobicContact CD1-CD1 3.82Å; F9-L312 HydrophobicContact CD2-CD1 3.78Å; F9-L312 HydrophobicContact CD2-CD2 3.36Å; F9-L312 HydrophobicContact CD2-CG 4.21Å; F9-L312 HydrophobicContact CE1-CD1 4.11Å; F9-L312 HydrophobicContact CE2-CD1 4.06Å; F9-L312 HydrophobicContact CE2-CD2 3.83Å; F9-L312 HydrophobicContact CG-CD1 3.64Å; F9-L312 HydrophobicContact CG-CD2 3.94Å; F9-L312 HydrophobicContact CG-CG 4.38Å; F9-L312 HydrophobicContact CZ-CD1 4.22Å; V284-L312 HydrophobicContact CG1-CD1 4.21Å; V299-L312 HydrophobicContact CB-CB 4.01Å; V299-L312 HydrophobicContact CG1-CB 3.79Å; V299-L312 HydrophobicContact CG1-CD1 4.12Å; V299-L312 HydrophobicContact CG1-CG 4.38Å; V299-L312 PolarHBondContact O-N 2.76Å; E310-L312 HydrophobicContact CG-CD2 4.26Å; L312-A314 PolarHBondContact O-N 2.94Å; L312-L348 HydrophobicContact CD1-CD2 4Å
313P97.4Very high95.9Very high68 Ų6848.6 Ų48.644%0.44228%0.277SS..PPolyproline II helixtrans-52.1132.9173-27.937000111.7W11 V299W11-P313 PolarHBondContact NE1-O 3.08Å; V299-P313 VanDerWaalsContact CG2-O 3.28Å; V299-P313 WeakPolarHBondContact CG2-O 3.33Å
314A98.1Very high96Very high66 Ų6651.2 Ų51.255%0.54530%0.295SS..PPolyproline II helixtrans-58.6146.5-179.500000111.6W11 G297 L312W11-A314 PolarHBondContact NE1-O 2.81Å; G297-A314 CarbonylContact O-C 3.59Å; G297-A314 WeakPolarHBondContact O-CA 3.43Å; G297-A314 WeakPolarHBondContact O-CB 3.1Å; L312-A314 PolarHBondContact O-N 2.94Å
315M97.3Very high96.2Very high8 Ų852.1 Ų52.14%0.03930%0.3CS..PPolyproline II helixtrans-62132.5173.7-177.5167.56800109.7W11 I286 G297 V299 T317 R319 V333 E346W11-M315 HydrophobicContact CH2-CB 4Å; W11-M315 HydrophobicContact CH2-CG 3.76Å; W11-M315 HydrophobicContact CH2-SD 4.17Å; W11-M315 HydrophobicContact CZ2-CB 3.64Å; W11-M315 HydrophobicContact CZ2-CG 3.92Å; W11-M315 HydrophobicContact CZ3-CG 4.34Å; I286-M315 HydrophobicContact CG2-CB 4.15Å; I286-M315 HydrophobicContact CG2-CG 4.36Å; I286-M315 HydrophobicContact CG2-SD 3.62Å; G297-M315 PolarHBondContact O-N 2.88Å; V299-M315 HydrophobicContact CG2-CB 4.18Å; M315-T317 VanDerWaalsContact C-N 3.28Å; M315-T317 WeakPolarHBondContact CE-O 3.45Å; M315-T317 WeakPolarHBondContact CG-O 3.13Å; M315-T317 PolarHBondContact O-N 2.95Å; M315-R319 HydrophobicContact CE-CB 3.88Å; M315-R319 HydrophobicContact CE-CG 4.4Å; M315-V333 HydrophobicContact SD-CB 4.29Å; M315-V333 HydrophobicContact SD-CG1 3.73Å; M315-V333 HydrophobicContact SD-CG2 4.47Å; M315-E346 VanDerWaalsContact CG-OE2 3.28Å; M315-E346 WeakPolarHBondContact CG-OE2 3.41Å
316P98.1Very high96.3Very high66 Ų6651.4 Ų51.443%0.42928%0.28SS..SBendtrans-59-37.9-172.9-22.630000113.3W11 V13 E346W11-P316 HydrophobicContact CB-CG 4.09Å; W11-P316 HydrophobicContact CD2-CG 4.22Å; W11-P316 HydrophobicContact CG-CG 4Å; V13-P316 HydrophobicContact CG2-CB 4.25Å; V13-P316 HydrophobicContact CG2-CG 3.8Å; P316-E346 WeakPolarHBondContact CB-OE1 3.37Å; P316-E346 HydrophobicContact CG-CG 4.4Å
317T97.4Very high96.3Very high57 Ų5745 Ų4535%0.3526%0.258SS..SBendtrans-120.5116.1173-51.90000109.7M315 R319 E346M315-T317 VanDerWaalsContact C-N 3.28Å; M315-T317 WeakPolarHBondContact CE-O 3.45Å; M315-T317 WeakPolarHBondContact CG-O 3.13Å; M315-T317 PolarHBondContact O-N 2.95Å; T317-R319 HydrophobicContact CG2-CG 4.2Å; T317-R319 WeakPolarHBondContact O-CG 3.42Å; T317-R319 PolarHBondContact O-N 3.24Å; T317-R319 PolarHBondContact O-NH1 3.46Å; T317-E346 WeakPolarHBondContact CB-OE1 3.45Å; T317-E346 PolarHBondContact N-OE1 2.92Å; T317-E346 VanDerWaalsContact N-OE1 3.15Å; T317-E346 PolarHBondContact OG1-OE1 3.45Å; T317-E346 VanDerWaalsContact OG1-OE1 3.09Å
318A98.1Very high96.1Very high36 Ų3642.6 Ų42.630%0.29827%0.269SS..  trans-66.7127.8-179.600000112.6P295P295-A318 WeakPolarHBondContact O-CB 3.32Å
319R97.8Very high96Very high2 Ų239.7 Ų39.71%0.00827%0.269CS..  trans-152.3155.9-171.9-60.5-172.7-55.7-76.415.3113.5G288 M315 T317 C322 V333 G335 V337 A338 S342 E346G288-R319 PolarHBondContact N-O 3.39Å; M315-R319 HydrophobicContact CE-CB 3.88Å; M315-R319 HydrophobicContact CE-CG 4.4Å; T317-R319 HydrophobicContact CG2-CG 4.2Å; T317-R319 WeakPolarHBondContact O-CG 3.42Å; T317-R319 PolarHBondContact O-N 3.24Å; T317-R319 PolarHBondContact O-NH1 3.46Å; R319-C322 WeakPolarHBondContact CB-SG 3.41Å; R319-V333 PolarHBondContact NH2-O 2.76Å; R319-G335 WeakPolarHBondContact CD-O 3.17Å; R319-G335 PolarHBondContact NE-O 3.28Å; R319-V337 VanDerWaalsContact CA-O 3.23Å; R319-V337 WeakPolarHBondContact CA-O 3.27Å; R319-A338 HydrophobicContact CG-CB 4.18Å; R319-S342 VanDerWaalsContact CD-CB 3.48Å; R319-S342 WeakPolarHBondContact CD-OG 3.39Å; R319-E346 IonicContact CZ-OE2 2.77Å; R319-E346 VanDerWaalsContact CZ-OE2 3.29Å; R319-E346 IonicContact NH1-OE1 2.82Å; R319-E346 IonicContact NH1-OE2 3.09Å; R319-E346 PolarHBondContact NH1-OE2 3.39Å; R319-E346 IonicContact NH2-OE2 3.46Å; R319-E346 PolarHBondContact NH2-OE2 3.17Å
320C98Very high96Very high7 Ų742.2 Ų42.25%0.04728%0.278CS..BIsolated β-bridgetrans-123.1178.6165.168.40000110.7D273 L289 P295 C322 G336 V337D273-C320 WeakPolarHBondContact O-CB 3.3Å; L289-C320 HydrophobicContact CD2-CB 3.88Å; L289-C320 VanDerWaalsContact CD2-SG 3.58Å; L289-C320 HydrophobicContact CG-CB 3.76Å; P295-C320 HydrophobicContact CB-CB 4.47Å; C320-C322 PolarHBondContact O-N 2.7Å; C320-C322 PolarHBondContact O-SG 2.62Å; C320-C322 VanDerWaalsContact O-SG 3.41Å; C320-G336 CarbonylContact O-C 3.5Å; C320-G336 VanDerWaalsContact O-CA 3.32Å; C320-G336 WeakPolarHBondContact O-CA 3.42Å; C320-V337 PolarHBondContact N-O 3.24Å; C320-V337 PolarHBondContact O-N 2.68Å
321S97.4Very high96.1Very high15 Ų1540.6 Ų40.611%0.10527%0.271CS..SBendtrans52.727.7176.6-34.50000114D273 G336D273-S321 PolarHBondContact O-N 2.99Å; D273-S321 WeakPolarHBondContact OD2-CA 3.43Å; D273-S321 WeakPolarHBondContact OD2-CB 3.38Å; D273-S321 PolarHBondContact OD2-N 3.08Å; D273-S321 PolarHBondContact OD2-OG 3.03Å; S321-G336 WeakPolarHBondContact O-CA 3.48Å
322C98.1Very high96.2Very high22 Ų2237.9 Ų37.915%0.14925%0.248CC..  trans-76143.2-177-60.80000109.9V275 R319 C320 V333 G335V275-C322 HydrophobicContact CG2-CB 3.76Å; R319-C322 WeakPolarHBondContact CB-SG 3.41Å; C320-C322 PolarHBondContact O-N 2.7Å; C320-C322 PolarHBondContact O-SG 2.62Å; C320-C322 VanDerWaalsContact O-SG 3.41Å; C322-V333 HydrophobicContact CB-CG1 3.55Å; C322-V333 VanDerWaalsContact SG-CG1 3.58Å; C322-G335 PolarHBondContact SG-O 2.64Å
323S97.6Very high96.2Very high17 Ų1736.9 Ų36.912%0.11924%0.242CC..EExtended strand (participates in β ladder)trans-70.6134.9164-53.50000108.2G24 I334G24-S323 PolarHBondContact N-OG 3.11Å; G24-S323 WeakPolarHBondContact O-CB 3.41Å; G24-S323 PolarHBondContact O-OG 3.48Å; S323-I334 PolarHBondContact N-O 2.77Å; S323-I334 PolarHBondContact O-N 2.73Å
324S96.3Very high96.3Very high59 Ų5933.7 Ų33.741%0.41322%0.222SC..EExtended strand (participates in β ladder)trans-121.4143.1-179.663.50000111.2V275 F332V275-S324 VanDerWaalsContact CG1-CB 3.47Å; S324-F332 WeakPolarHBondContact CA-O 3.09Å
325L95.8Very high96.3Very high36 Ų3630.6 Ų30.619%0.18820%0.196CC..EExtended strand (participates in β ladder)trans-146.7130.4177.4-176.668.7000110.2V26 A27 H28 L33 F332V26-L325 HydrophobicContact CG2-CB 4.01Å; A27-L325 VanDerWaalsContact C-CD2 3.49Å; H28-L325 HydrophobicContact CB-CD2 3.5Å; H28-L325 HydrophobicContact CB-CG 4.5Å; L33-L325 HydrophobicContact CD1-CD2 3.59Å; L325-F332 HydrophobicContact CB-CB 4.37Å; L325-F332 PolarHBondContact N-O 3.01Å; L325-F332 WeakPolarHBondContact O-CB 3.27Å; L325-F332 PolarHBondContact O-N 3.08Å
326Q93.8Very high96.3Very high81 Ų8130.2 Ų30.238%0.37919%0.194SC..EExtended strand (participates in β ladder)trans-88.5121167.6-173.169.230.400108.6S278 G328 R330S278-Q326 PolarHBondContact O-OE1 2.99Å; Q326-G328 PolarHBondContact NE2-O 3.32Å; Q326-R330 PolarHBondContact NE2-O 2.9Å
327A92.3Very high96.3Very high10 Ų1029.1 Ų29.18%0.08319%0.187CC..EExtended strand (participates in β ladder)trans-134.1104.9174.300000110H28 R330 F332H28-A327 HydrophobicContact CB-CB 3.83Å; A327-R330 PolarHBondContact N-O 3Å; A327-R330 WeakPolarHBondContact O-CB 3.5Å; A327-R330 PolarHBondContact O-N 3.11Å; A327-R330 VanDerWaalsContact O-N 3.14Å; A327-F332 HydrophobicContact CB-CD2 4.27Å; A327-F332 HydrophobicContact CB-CE2 3.95Å
328G87.2Confident96.2Very high65 Ų6527.9 Ų27.967%0.6718%0.182SC*.THydrogen-bonded Turntrans55.8-125.8-173.100000111.5Q326 R330Q326-G328 PolarHBondContact NE2-O 3.32Å; G328-R330 PolarHBondContact O-N 2.88Å
329P90.3Very high95.9Very high81 Ų8135.3 Ų35.353%0.52621%0.211SC..THydrogen-bonded Turntrans-8516.5-178.837.9-37.4000113.6L279L279-P329 WeakPolarHBondContact CD1-O 3.46Å
330R95.2Very high95.7Very high72 Ų7236.1 Ų36.127%0.27222%0.22SC..EExtended strand (participates in β ladder)trans-120.8131.2-175.4-63.5-174.4-174.7101.4-1111Q326 A327 G328 F332 A347 C349Q326-R330 PolarHBondContact NE2-O 2.9Å; A327-R330 PolarHBondContact N-O 3Å; A327-R330 WeakPolarHBondContact O-CB 3.5Å; A327-R330 PolarHBondContact O-N 3.11Å; A327-R330 VanDerWaalsContact O-N 3.14Å; G328-R330 PolarHBondContact O-N 2.88Å; R330-F332 HydrophobicContact CB-CD2 4.03Å; R330-F332 HydrophobicContact CB-CE2 3.58Å; R330-F332 HydrophobicContact CB-CZ 4.25Å; R330-F332 HydrophobicContact CG-CE2 4.39Å; R330-A347 HydrophobicContact CB-CB 4.08Å; R330-A347 HydrophobicContact CG-CB 4.44Å; R330-C349 HydrophobicContact CG-CB 4.28Å
331L97.7Very high95.7Very high4 Ų437 Ų372%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-102.7105.4166178.858.1000108.5V275 V284 I286 A347 L348V275-L331 HydrophobicContact CG1-CD1 4.16Å; V275-L331 HydrophobicContact CG1-CD2 4.31Å; V275-L331 HydrophobicContact CG1-CG 4.25Å; V284-L331 HydrophobicContact CB-CD2 4.33Å; I286-L331 HydrophobicContact CD1-CD2 3.77Å; I286-L331 HydrophobicContact CD1-CG 4.22Å; L331-A347 WeakPolarHBondContact O-CA 3.33Å; L331-L348 PolarHBondContact N-O 3.12Å; L331-L348 PolarHBondContact O-N 3.5Å
332F98.2Very high95.7Very high1 Ų137 Ų370%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-81145.1-178.9-75.5-92.7000112.2F14 L33 M54 S324 L325 A327 R330 I334 V345 E346 A347F14-F332 HydrophobicContact CD2-CE1 4.17Å; F14-F332 HydrophobicContact CE2-CD1 4.36Å; F14-F332 AromaticContact CE2-CE1 3.56Å; F14-F332 HydrophobicContact CE2-CE1 3.56Å; F14-F332 HydrophobicContact CE2-CZ 4.25Å; F14-F332 AromaticContact CZ-CE1 3.91Å; F14-F332 HydrophobicContact CZ-CE1 3.91Å; F14-F332 HydrophobicContact CZ-CZ 4.2Å; L33-F332 HydrophobicContact CD2-CD1 3.87Å; L33-F332 HydrophobicContact CD2-CE1 3.9Å; M54-F332 HydrophobicContact CE-CE1 4.19Å; M54-F332 HydrophobicContact CE-CZ 3.6Å; M54-F332 HydrophobicContact SD-CE1 4.28Å; M54-F332 HydrophobicContact SD-CZ 3.94Å; S324-F332 WeakPolarHBondContact CA-O 3.09Å; L325-F332 HydrophobicContact CB-CB 4.37Å; L325-F332 PolarHBondContact N-O 3.01Å; L325-F332 WeakPolarHBondContact O-CB 3.27Å; L325-F332 PolarHBondContact O-N 3.08Å; A327-F332 HydrophobicContact CB-CD2 4.27Å; A327-F332 HydrophobicContact CB-CE2 3.95Å; R330-F332 HydrophobicContact CB-CD2 4.03Å; R330-F332 HydrophobicContact CB-CE2 3.58Å; R330-F332 HydrophobicContact CB-CZ 4.25Å; R330-F332 HydrophobicContact CG-CE2 4.39Å; F332-I334 HydrophobicContact CB-CD1 3.85Å; F332-I334 HydrophobicContact CB-CG1 4.03Å; F332-I334 HydrophobicContact CG-CD1 4.46Å; F332-V345 HydrophobicContact CD1-CG1 4.44Å; F332-E346 CarbonylContact C-O 3.56Å; F332-E346 WeakPolarHBondContact CA-O 3.27Å; F332-A347 HydrophobicContact CD1-CB 3.75Å; F332-A347 HydrophobicContact CD2-CB 4.34Å; F332-A347 HydrophobicContact CE1-CB 3.84Å; F332-A347 HydrophobicContact CE2-CB 4.41Å; F332-A347 HydrophobicContact CG-CB 4.02Å; F332-A347 HydrophobicContact CZ-CB 4.18Å
333V98.4Very high95.7Very high1 Ų140.2 Ų40.21%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-129.4104.2174-172.80000108W11 V275 I286 M315 R319 C322 E346W11-V333 HydrophobicContact CH2-CG2 4.24Å; W11-V333 HydrophobicContact CZ3-CG2 4.42Å; V275-V333 HydrophobicContact CB-CG2 4.26Å; V275-V333 HydrophobicContact CG1-CG2 4.17Å; V275-V333 HydrophobicContact CG2-CG1 3.96Å; V275-V333 HydrophobicContact CG2-CG2 4.19Å; I286-V333 HydrophobicContact CD1-CG2 3.89Å; I286-V333 HydrophobicContact CG2-CG2 4.2Å; M315-V333 HydrophobicContact SD-CB 4.29Å; M315-V333 HydrophobicContact SD-CG1 3.73Å; M315-V333 HydrophobicContact SD-CG2 4.47Å; R319-V333 PolarHBondContact NH2-O 2.76Å; C322-V333 HydrophobicContact CB-CG1 3.55Å; C322-V333 VanDerWaalsContact SG-CG1 3.58Å; V333-E346 PolarHBondContact N-O 3.25Å; V333-E346 PolarHBondContact O-N 3.16Å
334I98.6Very high95.7Very high1 Ų140 Ų401%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-119.6130.3-164.6-59161.4000109.6M17 V26 L33 V35 S323 F332 G336 V345M17-I334 HydrophobicContact SD-CG2 4.15Å; V26-I334 HydrophobicContact CB-CD1 4.13Å; V26-I334 HydrophobicContact CG1-CB 4.33Å; V26-I334 HydrophobicContact CG1-CD1 3.8Å; V26-I334 HydrophobicContact CG1-CG2 4.11Å; V26-I334 HydrophobicContact CG2-CD1 4.45Å; L33-I334 HydrophobicContact CD1-CD1 3.73Å; L33-I334 HydrophobicContact CD2-CD1 3.76Å; L33-I334 HydrophobicContact CD2-CG1 4.34Å; L33-I334 HydrophobicContact CG-CD1 4.17Å; V35-I334 HydrophobicContact CG1-CG2 4.17Å; V35-I334 HydrophobicContact CG2-CG2 3.87Å; S323-I334 PolarHBondContact N-O 2.77Å; S323-I334 PolarHBondContact O-N 2.73Å; F332-I334 HydrophobicContact CB-CD1 3.85Å; F332-I334 HydrophobicContact CB-CG1 4.03Å; F332-I334 HydrophobicContact CG-CD1 4.46Å; I334-G336 PolarHBondContact O-N 3.31Å; I334-V345 HydrophobicContact CG1-CG1 4.29Å; I334-V345 HydrophobicContact CG2-CG2 4.12Å
335G98.4Very high95.9Very high1 Ų137.3 Ų37.31%0.0122%0.218CC..SBendtrans59.3-136.4177.800000112R21 R319 C322 A344R21-G335 WeakPolarHBondContact O-CA 3.49Å; R319-G335 WeakPolarHBondContact CD-O 3.17Å; R319-G335 PolarHBondContact NE-O 3.28Å; C322-G335 PolarHBondContact SG-O 2.64Å; G335-A344 PolarHBondContact N-O 3.21Å
336G97.9Very high96Very high0 Ų035.8 Ų35.80%021%0.21CC..  trans88.8-164.5-178.600000112.7R21 C320 S321 I334 P341 S342R21-G336 PolarHBondContact O-N 3.16Å; C320-G336 CarbonylContact O-C 3.5Å; C320-G336 VanDerWaalsContact O-CA 3.32Å; C320-G336 WeakPolarHBondContact O-CA 3.42Å; S321-G336 WeakPolarHBondContact O-CA 3.48Å; I334-G336 PolarHBondContact O-N 3.31Å; G336-P341 CarbonylContact O-C 3.59Å; G336-P341 WeakPolarHBondContact O-CA 3.25Å; G336-S342 WeakPolarHBondContact O-CB 3.3Å; G336-S342 PolarHBondContact O-N 2.87Å
337V97.7Very high96.2Very high44 Ų4431.9 Ų31.927%0.26719%0.192SC..BIsolated β-bridgetrans-115.1126.4-173.9-175.70000111V22 R319 C320 G340V22-V337 HydrophobicContact CB-CG2 4.07Å; V22-V337 HydrophobicContact CG2-CG2 3.76Å; R319-V337 VanDerWaalsContact CA-O 3.23Å; R319-V337 WeakPolarHBondContact CA-O 3.27Å; C320-V337 PolarHBondContact N-O 3.24Å; C320-V337 PolarHBondContact O-N 2.68Å; V337-G340 WeakPolarHBondContact CA-O 3.37Å
338A94.9Very high96.5Very high31 Ų3131.4 Ų31.426%0.25619%0.188SC..SBendtrans-112.7-103.7165.200000109.4R319 G340R319-A338 HydrophobicContact CG-CB 4.18Å; A338-G340 PolarHBondContact N-O 3.18Å; A338-G340 PolarHBondContact O-N 3.04Å
339Q91.4Very high96.9Very high192 Ų19228.7 Ų28.790%0.89716%0.158SC*.SBendtrans-82.68.3166.2-61.1-65.8-5.400112.6
340G95Very high96.8Very high19 Ų1926.1 Ų26.120%0.19614%0.14CC..SBendtrans158-177.9-170.900000109.3V337 A338 S342V337-G340 WeakPolarHBondContact CA-O 3.37Å; A338-G340 PolarHBondContact N-O 3.18Å; A338-G340 PolarHBondContact O-N 3.04Å; G340-S342 PolarHBondContact O-N 3.24Å
341P97.4Very high96.3Very high25 Ų2528.6 Ų28.616%0.16215%0.15CC..BIsolated β-bridgetrans-53.7132173.6-26.636000111.2C20 G336C20-P341 HydrophobicContact CB-CB 4.35Å; C20-P341 WeakPolarHBondContact CB-O 3.09Å; G336-P341 CarbonylContact O-C 3.59Å; G336-P341 WeakPolarHBondContact O-CA 3.25Å
342S97.9Very high95.2Very high15 Ų1533.5 Ų33.511%0.10518%0.176CC..  trans-99.2155.1-175.1-174.70000112M17 C20 R21 R319 G336 G340 A344M17-S342 WeakPolarHBondContact CE-O 3.05Å; C20-S342 WeakPolarHBondContact CA-O 3.38Å; R21-S342 PolarHBondContact N-O 3.33Å; R319-S342 VanDerWaalsContact CD-CB 3.48Å; R319-S342 WeakPolarHBondContact CD-OG 3.39Å; G336-S342 WeakPolarHBondContact O-CB 3.3Å; G336-S342 PolarHBondContact O-N 2.87Å; G340-S342 PolarHBondContact O-N 3.24Å; S342-A344 WeakPolarHBondContact OG-CB 3.33Å; S342-A344 PolarHBondContact OG-N 3.47Å
343Q97.9Very high93.3Very high90 Ų9034.9 Ų34.942%0.42119%0.19SC..  trans-103.61.3169.861.4-177.131.600113.4P16 M17 C20 V345P16-Q343 CarbonylContact C-O 3.49Å; P16-Q343 VanDerWaalsContact CA-O 3.3Å; P16-Q343 WeakPolarHBondContact CA-O 3.45Å; P16-Q343 HydrophobicContact CB-CB 4.04Å; P16-Q343 HydrophobicContact CB-CG 3.6Å; M17-Q343 HydrophobicContact CG-CB 4.07Å; M17-Q343 WeakPolarHBondContact CG-O 3.23Å; M17-Q343 PolarHBondContact N-O 3.13Å; M17-Q343 WeakPolarHBondContact O-CB 3.47Å; C20-Q343 HydrophobicContact CB-CB 4.28Å; Q343-V345 PolarHBondContact O-N 3.01Å
344A98.4Very high90.8Very high13 Ų1345.1 Ų45.111%0.10725%0.253CS..  trans-69.8133.5-173.600000111.7G335 S342G335-A344 PolarHBondContact N-O 3.21Å; S342-A344 WeakPolarHBondContact OG-CB 3.33Å; S342-A344 PolarHBondContact OG-N 3.47Å
345V98.5Very high90.4Very high1 Ų147.4 Ų47.41%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-126.2109.4172.6178.90000107.9F14 M17 L33 L52 W59 F332 I334 Q343F14-V345 HydrophobicContact CB-CB 4.27Å; F14-V345 HydrophobicContact CB-CG1 4.09Å; F14-V345 WeakPolarHBondContact CB-O 3.39Å; F14-V345 HydrophobicContact CD2-CG1 4.15Å; F14-V345 HydrophobicContact CG-CG1 4.37Å; F14-V345 PolarHBondContact N-O 2.94Å; M17-V345 HydrophobicContact CB-CG2 4.1Å; M17-V345 HydrophobicContact CG-CG2 4.44Å; M17-V345 HydrophobicContact SD-CG2 3.98Å; L33-V345 HydrophobicContact CD2-CG1 3.84Å; L52-V345 HydrophobicContact CD2-CG1 4.27Å; W59-V345 HydrophobicContact CH2-CG2 4.06Å; W59-V345 HydrophobicContact CZ2-CB 4.22Å; W59-V345 HydrophobicContact CZ2-CG1 4.37Å; W59-V345 HydrophobicContact CZ2-CG2 3.6Å; F332-V345 HydrophobicContact CD1-CG1 4.44Å; I334-V345 HydrophobicContact CG1-CG1 4.29Å; I334-V345 HydrophobicContact CG2-CG2 4.12Å; Q343-V345 PolarHBondContact O-N 3.01Å
346E98.4Very high90Very high4 Ų449.8 Ų49.82%0.01928%0.278CS..EExtended strand (participates in β ladder)trans-135.1145.5-172.7-64.2161.9170.300108.4W11 Q12 V13 M315 P316 T317 R319 F332 V333W11-E346 HydrophobicContact CE3-CB 3.98Å; W11-E346 HydrophobicContact CZ3-CB 3.86Å; Q12-E346 CarbonylContact O-C 3.53Å; Q12-E346 WeakPolarHBondContact O-CA 3.5Å; V13-E346 HydrophobicContact CG1-CG 4.48Å; V13-E346 HydrophobicContact CG2-CG 4.48Å; M315-E346 VanDerWaalsContact CG-OE2 3.28Å; M315-E346 WeakPolarHBondContact CG-OE2 3.41Å; P316-E346 WeakPolarHBondContact CB-OE1 3.37Å; P316-E346 HydrophobicContact CG-CG 4.4Å; T317-E346 WeakPolarHBondContact CB-OE1 3.45Å; T317-E346 PolarHBondContact N-OE1 2.92Å; T317-E346 VanDerWaalsContact N-OE1 3.15Å; T317-E346 PolarHBondContact OG1-OE1 3.45Å; T317-E346 VanDerWaalsContact OG1-OE1 3.09Å; R319-E346 IonicContact CZ-OE2 2.77Å; R319-E346 VanDerWaalsContact CZ-OE2 3.29Å; R319-E346 IonicContact NH1-OE1 2.82Å; R319-E346 IonicContact NH1-OE2 3.09Å; R319-E346 PolarHBondContact NH1-OE2 3.39Å; R319-E346 IonicContact NH2-OE2 3.46Å; R319-E346 PolarHBondContact NH2-OE2 3.17Å; F332-E346 CarbonylContact C-O 3.56Å; F332-E346 WeakPolarHBondContact CA-O 3.27Å; V333-E346 PolarHBondContact N-O 3.25Å; V333-E346 PolarHBondContact O-N 3.16Å
347A98.1Very high89.6Confident0 Ų052.6 Ų52.60%029%0.294CS..EExtended strand (participates in β ladder)trans-131.3135174.400000111.4W11 Q12 F14 R330 L331 F332W11-A347 VanDerWaalsContact CE3-C 3.5Å; Q12-A347 PolarHBondContact N-O 2.99Å; Q12-A347 PolarHBondContact O-N 3.38Å; F14-A347 HydrophobicContact CE2-CB 3.87Å; R330-A347 HydrophobicContact CB-CB 4.08Å; R330-A347 HydrophobicContact CG-CB 4.44Å; L331-A347 WeakPolarHBondContact O-CA 3.33Å; F332-A347 HydrophobicContact CD1-CB 3.75Å; F332-A347 HydrophobicContact CD2-CB 4.34Å; F332-A347 HydrophobicContact CE1-CB 3.84Å; F332-A347 HydrophobicContact CE2-CB 4.41Å; F332-A347 HydrophobicContact CG-CB 4.02Å; F332-A347 HydrophobicContact CZ-CB 4.18Å
348L98.1Very high89.1Confident0 Ų053.1 Ų53.10%030%0.296CS..EExtended strand (participates in β ladder)trans-85.8132.3167.4-169.372.7000108.8F9 W11 L279 V284 I286 V299 L312 L331F9-L348 HydrophobicContact CB-CD1 4.29Å; F9-L348 HydrophobicContact CD1-CD2 4.02Å; F9-L348 HydrophobicContact CD1-CG 4.22Å; W11-L348 HydrophobicContact CD2-CD1 4Å; W11-L348 HydrophobicContact CE3-CB 4.34Å; W11-L348 HydrophobicContact CG-CD1 4.33Å; W11-L348 HydrophobicContact CH2-CB 4.14Å; W11-L348 HydrophobicContact CZ2-CB 4.36Å; W11-L348 HydrophobicContact CZ2-CD1 4.08Å; W11-L348 HydrophobicContact CZ3-CB 4.11Å; L279-L348 HydrophobicContact CD2-CD2 4.36Å; L279-L348 HydrophobicContact CD2-CG 4.25Å; V284-L348 HydrophobicContact CG1-CD2 3.63Å; V284-L348 HydrophobicContact CG2-CD2 4.4Å; I286-L348 HydrophobicContact CD1-CB 4.2Å; I286-L348 HydrophobicContact CD1-CD2 4.26Å; V299-L348 HydrophobicContact CG1-CD2 4.32Å; L312-L348 HydrophobicContact CD1-CD2 4Å; L331-L348 PolarHBondContact N-O 3.12Å; L331-L348 PolarHBondContact O-N 3.5Å
349C95.4Very high88.8Confident7 Ų754.4 Ų54.45%0.04730%0.298CS..EExtended strand (participates in β ladder)trans-135.215517861.10000111F9 A10 R330 R351F9-C349 WeakPolarHBondContact CA-O 3.3Å; A10-C349 PolarHBondContact N-O 3.45Å; A10-C349 PolarHBondContact O-N 3.49Å; A10-C349 PolarHBondContact O-SG 2.73Å; R330-C349 HydrophobicContact CG-CB 4.28Å; C349-R351 PolarHBondContact SG-NE 3.15Å
350L90.1Very high88.6Confident28 Ų2845.3 Ų45.315%0.14726%0.258CS..EExtended strand (participates in β ladder)trans-99.5114171-17068000107.8R7 F9 L279R7-L350 HydrophobicContact CB-CD1 4.02Å; R7-L350 HydrophobicContact CB-CD2 4.21Å; R7-L350 HydrophobicContact CB-CG 3.98Å; R7-L350 HydrophobicContact CG-CG 4.41Å; F9-L350 HydrophobicContact CD1-CD1 4.04Å; F9-L350 HydrophobicContact CD2-CD1 3.99Å; F9-L350 HydrophobicContact CE1-CB 4.49Å; F9-L350 HydrophobicContact CE1-CD1 4Å; F9-L350 HydrophobicContact CE2-CD1 3.95Å; F9-L350 HydrophobicContact CG-CD1 4.04Å; F9-L350 HydrophobicContact CZ-CD1 3.95Å; L279-L350 HydrophobicContact CG-CB 4.39Å
351R84Confident88.1Confident123 Ų12347.1 Ų47.146%0.46426%0.262SS..EExtended strand (participates in β ladder)trans-106.6147.4179.6-61.8-174.4-177.4-173.5-0.2109.8R7 A8 A10 C349R7-R351 CarbonylContact C-O 3.59Å; R7-R351 VanDerWaalsContact CA-O 3.24Å; R7-R351 WeakPolarHBondContact CA-O 3.19Å; A8-R351 PolarHBondContact N-O 3.06Å; A8-R351 PolarHBondContact O-N 3.46Å; A10-R351 HydrophobicContact CB-CG 4.4Å; C349-R351 PolarHBondContact SG-NE 3.15Å
352D73.8Confident87.4Confident107 Ų10748.8 Ų48.857%0.57227%0.27SS*.  trans-66135.8166.8-59.1-38.4000108.2R7R7-D352 WeakPolarHBondContact CG-OD1 3.26Å; R7-D352 IonicContact CZ-OD1 2.87Å; R7-D352 IonicContact NE-OD1 3.07Å; R7-D352 PolarHBondContact NE-OD1 2.87Å; R7-D352 IonicContact NH2-OD1 3.73Å
353G59Low86.5Confident30 Ų3051.7 Ų51.731%0.30928%0.284SS..  trans-62.8135.9177.600000110.2G6G6-G353 VanDerWaalsContact O-CA 3.29Å; G6-G353 WeakPolarHBondContact O-CA 3.4Å; G6-G353 PolarHBondContact O-N 3.5Å; G6-G353 VanDerWaalsContact O-N 3.08Å
354V46.6Very low85.5Confident217 Ų21748.2 Ų48.2100%1.31527%0.272SS*.  trans-65.50173.8-179.30000110.5

Retrieved 354 of 354 residues in 1989.6 ms (Link to these results)

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