A0A077YZN8_TRITR Loading...

WD repeat-containing protein 44

AlphaFold DB , UniProt , Accession A0A077YZN8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 424 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
1M85Confident91.9Very high131 Ų13156.5 Ų56.565%0.64529%0.294SS*.  0143.60-172.7176.473.700108.5D4 V407 F408M1-D4 HydrophobicContact CE-CB 4.37Å; M1-D4 HydrophobicContact SD-CB 4.35Å; M1-V407 CarbonylContact C-O 3.48Å; M1-V407 WeakPolarHBondContact CA-O 3.14Å; M1-F408 HydrophobicContact CB-CD1 4.17Å; M1-F408 HydrophobicContact CB-CE1 3.85Å; M1-F408 HydrophobicContact CB-CZ 4.47Å; M1-F408 HydrophobicContact CG-CE1 4.43Å
2V89.2Confident92.3Very high16 Ų1651.8 Ų51.810%0.09727%0.269CS..  trans-122.6-16.7175.6-62.30000113.5W93 S94 V407 L409V2-W93 HydrophobicContact CB-CB 4.06Å; V2-W93 HydrophobicContact CG1-CB 4.22Å; V2-S94 PolarHBondContact O-OG 3.41Å; V2-V407 HydrophobicContact CG2-CB 4.3Å; V2-V407 HydrophobicContact CG2-CG1 3.98Å; V2-V407 PolarHBondContact N-O 2.66Å; V2-L409 HydrophobicContact CB-CD1 4.36Å; V2-L409 HydrophobicContact CG1-CB 4.15Å; V2-L409 HydrophobicContact CG1-CD1 3.96Å; V2-L409 HydrophobicContact CG1-CG 4.12Å; V2-L409 HydrophobicContact CG2-CD1 3.93Å; V2-L409 HydrophobicContact CG2-CG 3.79Å
3Q92.3Very high92.8Very high13 Ų1347.8 Ų47.86%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-154.3139.5174.3-172.1169.112.500109.3L5 F96 V407Q3-L5 HydrophobicContact CG-CD2 3.91Å; Q3-L5 HydrophobicContact CG-CG 4.28Å; Q3-F96 PolarHBondContact NE2-O 3.12Å; Q3-F96 PolarHBondContact OE1-O 3.28Å; Q3-V407 HydrophobicContact CB-CB 4.01Å; Q3-V407 HydrophobicContact CB-CG2 4.13Å; Q3-V407 PolarHBondContact O-N 3.35Å
4D93Very high93.1Very high75 Ų7547.9 Ų47.940%0.40124%0.244SC..EExtended strand (participates in β ladder)trans-105.9124.5168.3-178.810.9000108.5M1 S6M1-D4 HydrophobicContact CE-CB 4.37Å; M1-D4 HydrophobicContact SD-CB 4.35Å; D4-S6 WeakPolarHBondContact OD1-CA 3.03Å; D4-S6 WeakPolarHBondContact OD1-CB 3.39Å; D4-S6 PolarHBondContact OD1-N 3.09Å; D4-S6 PolarHBondContact OD1-OG 3.27Å; D4-S6 PolarHBondContact OD2-OG 2.64Å
5L93.8Very high93.5Very high1 Ų144.9 Ų44.91%0.00523%0.229CC..  trans-108.718176.9-61.9178.9000111.3Q3 W37 F96 I405 V407Q3-L5 HydrophobicContact CG-CD2 3.91Å; Q3-L5 HydrophobicContact CG-CG 4.28Å; L5-W37 HydrophobicContact CB-CE3 4.21Å; L5-W37 HydrophobicContact CB-CH2 3.92Å; L5-W37 HydrophobicContact CB-CZ2 4.42Å; L5-W37 HydrophobicContact CB-CZ3 3.82Å; L5-W37 HydrophobicContact CD1-CD2 4.03Å; L5-W37 HydrophobicContact CD1-CE3 3.93Å; L5-W37 HydrophobicContact CD1-CG 4.33Å; L5-W37 HydrophobicContact CD1-CZ3 4.39Å; L5-W37 HydrophobicContact CD2-CE3 3.93Å; L5-W37 HydrophobicContact CD2-CZ3 3.95Å; L5-W37 HydrophobicContact CG-CE3 4.25Å; L5-W37 HydrophobicContact CG-CZ3 4.27Å; L5-W37 WeakPolarHBondContact O-CH2 3.44Å; L5-F96 HydrophobicContact CD1-CB 4.29Å; L5-F96 HydrophobicContact CD1-CD2 4.11Å; L5-F96 HydrophobicContact CD1-CG 4.23Å; L5-F96 HydrophobicContact CD2-CB 4.25Å; L5-I405 HydrophobicContact CB-CB 4Å; L5-I405 HydrophobicContact CB-CG2 4.05Å; L5-I405 HydrophobicContact CD1-CG2 4.26Å; L5-I405 PolarHBondContact N-O 3.02Å; L5-V407 HydrophobicContact CD1-CG2 3.96Å; L5-V407 HydrophobicContact CG-CG2 4.27Å
6S88.2Confident93.8Very high18 Ų1842.3 Ų42.313%0.12622%0.216CC..THydrogen-bonded Turntrans-62.1176.4174.670.90000112.8D4 F8D4-S6 WeakPolarHBondContact OD1-CA 3.03Å; D4-S6 WeakPolarHBondContact OD1-CB 3.39Å; D4-S6 PolarHBondContact OD1-N 3.09Å; D4-S6 PolarHBondContact OD1-OG 3.27Å; D4-S6 PolarHBondContact OD2-OG 2.64Å; S6-F8 VanDerWaalsContact C-N 3.33Å; S6-F8 WeakPolarHBondContact O-CD2 3.42Å; S6-F8 PolarHBondContact O-N 2.95Å
7K87.8Confident94Very high189 Ų18941.8 Ų41.882%0.82221%0.214SC*.THydrogen-bonded Turntrans82.5-9179.3-48.8169.5-176.5177.10116.3
8F94Very high94.3Very high37 Ų3740.2 Ų40.216%0.16221%0.205CC..SBendtrans-97.6-48.4-178.6-67.5-84.2000113.2S6 R35 W37 P98 N99 P100S6-F8 VanDerWaalsContact C-N 3.33Å; S6-F8 WeakPolarHBondContact O-CD2 3.42Å; S6-F8 PolarHBondContact O-N 2.95Å; F8-R35 PolarHBondContact O-NE 2.99Å; F8-R35 PolarHBondContact O-NH2 3.27Å; F8-W37 HydrophobicContact CB-CH2 3.88Å; F8-W37 HydrophobicContact CB-CZ2 4.38Å; F8-W37 AromaticContact CD2-CH2 3.47Å; F8-W37 HydrophobicContact CD2-CH2 3.47Å; F8-W37 VanDerWaalsContact CD2-CH2 3.47Å; F8-W37 AromaticContact CD2-CZ3 3.86Å; F8-W37 HydrophobicContact CD2-CZ3 3.86Å; F8-W37 HydrophobicContact CE2-CH2 4.21Å; F8-W37 HydrophobicContact CE2-CZ3 4.13Å; F8-W37 AromaticContact CG-CH2 3.83Å; F8-W37 HydrophobicContact CG-CH2 3.83Å; F8-W37 HydrophobicContact CG-CZ3 4.43Å; F8-P98 WeakPolarHBondContact CE2-O 3.45Å; F8-N99 HydrophobicContact CZ-CB 4.21Å; F8-N99 WeakPolarHBondContact CZ-OD1 3.43Å; F8-P100 HydrophobicContact CB-CG 4.48Å; F8-P100 HydrophobicContact CD1-CG 3.81Å; F8-P100 HydrophobicContact CE1-CG 4.14Å; F8-P100 HydrophobicContact CG-CG 4.01Å
9H96.2Very high94.4Very high10 Ų1038.1 Ų38.15%0.04620%0.195CC..  trans-79.9144.8173.2-80.2-81.4000110.6V13 T27 D31 V33 R35H9-V13 HydrophobicContact CB-CG2 3.95Å; H9-T27 PolarHBondContact NE2-OG1 3.45Å; H9-D31 IonicContact CE1-OD1 2.72Å; H9-D31 IonicContact CG-OD2 3.58Å; H9-D31 IonicContact ND1-OD1 3.57Å; H9-D31 PolarHBondContact ND1-OD1 3.03Å; H9-D31 IonicContact ND1-OD2 3.61Å; H9-D31 PolarHBondContact ND1-OD2 3.28Å; H9-V33 PolarHBondContact CE1-O 3.19Å; H9-R35 PolarHBondContact CE1-NH1 3.14Å; H9-R35 PolarHBondContact ND1-NH1 3.17Å; H9-R35 PolarHBondContact NE2-NH1 3.47Å
10V94.9Very high94.4Very high114 Ų11440.8 Ų40.869%0.69121%0.209SC*.  trans-113.8118.5171.8-179.30000107.9D31V10-D31 HydrophobicContact CB-CB 4.45Å; V10-D31 WeakPolarHBondContact O-CB 3.16Å
11G96Very high94.4Very high17 Ų1739.4 Ų39.418%0.17520%0.203CC..SBendtrans79.7-167.7-174.300000112.9F401 S402 G403G11-F401 CarbonylContact C-O 3.58Å; G11-S402 CarbonylContact O-C 3.53Å; G11-G403 WeakPolarHBondContact O-CA 3.24Å; G11-G403 PolarHBondContact O-N 3.02Å; G11-G403 VanDerWaalsContact O-N 3.12Å
12A97.4Very high95Very high0 Ų033.2 Ų33.20%017%0.173CC..  trans-66.6135.1-163.100000113.8W14 G29 Q30 F401A12-W14 HydrophobicContact CB-CD2 3.93Å; A12-W14 HydrophobicContact CB-CE3 3.85Å; A12-W14 HydrophobicContact CB-CH2 3.35Å; A12-W14 HydrophobicContact CB-CZ2 3.43Å; A12-W14 VanDerWaalsContact CB-CZ2 3.43Å; A12-W14 HydrophobicContact CB-CZ3 3.57Å; A12-W14 PolarHBondContact O-N 2.96Å; A12-G29 CarbonylContact O-C 3.57Å; A12-G29 VanDerWaalsContact O-CA 3.24Å; A12-G29 WeakPolarHBondContact O-CA 3.5Å; A12-Q30 HydrophobicContact CB-CB 4.47Å; A12-Q30 VanDerWaalsContact N-OE1 3.13Å; A12-Q30 PolarHBondContact O-N 3.41Å; A12-F401 WeakPolarHBondContact CA-O 3.07Å; A12-F401 HydrophobicContact CB-CB 4.42Å; A12-F401 HydrophobicContact CB-CD2 3.82Å; A12-F401 HydrophobicContact CB-CE2 4.22Å; A12-F401 HydrophobicContact CB-CG 4.02Å; A12-F401 PolarHBondContact N-O 3.28Å; A12-F401 VanDerWaalsContact N-O 3.11Å
13V98.1Very high95.4Very high0 Ų036.9 Ų36.90%019%0.185CC..  trans-89.9101.1169.6-178.30000108.8H9 M16 T340 A399 D400 I405H9-V13 HydrophobicContact CB-CG2 3.95Å; V13-M16 HydrophobicContact CG1-CG 4.05Å; V13-T340 VanDerWaalsContact O-CB 3.26Å; V13-T340 WeakPolarHBondContact O-CB 3.37Å; V13-T340 PolarHBondContact O-OG1 2.98Å; V13-A399 HydrophobicContact CB-CB 3.67Å; V13-A399 HydrophobicContact CG1-CB 3.72Å; V13-A399 HydrophobicContact CG2-CB 4.17Å; V13-D400 PolarHBondContact N-O 3.39Å; V13-D400 VanDerWaalsContact N-O 3.08Å; V13-I405 HydrophobicContact CG2-CD1 4.33Å; V13-I405 HydrophobicContact CG2-CG1 4.19Å
14W97.9Very high95.7Very high50 Ų5036.3 Ų36.319%0.18918%0.182CC..  trans-75.9-32.7-174.8-58.5132.9000113.7A12 A28 G29 D110 T340 F401A12-W14 HydrophobicContact CB-CD2 3.93Å; A12-W14 HydrophobicContact CB-CE3 3.85Å; A12-W14 HydrophobicContact CB-CH2 3.35Å; A12-W14 HydrophobicContact CB-CZ2 3.43Å; A12-W14 VanDerWaalsContact CB-CZ2 3.43Å; A12-W14 HydrophobicContact CB-CZ3 3.57Å; A12-W14 PolarHBondContact O-N 2.96Å; W14-A28 PolarHBondContact N-O 3.47Å; W14-G29 VanDerWaalsContact CD1-CA 3.44Å; W14-D110 PolarHBondContact NE1-OD2 2.83Å; W14-T340 HydrophobicContact CE3-CG2 4.03Å; W14-T340 HydrophobicContact CZ3-CG2 3.87Å; W14-F401 AromaticContact CH2-CD2 3.88Å; W14-F401 HydrophobicContact CH2-CD2 3.88Å; W14-F401 AromaticContact CH2-CE2 3.5Å; W14-F401 HydrophobicContact CH2-CE2 3.5Å; W14-F401 HydrophobicContact CH2-CZ 4.38Å; W14-F401 AromaticContact CZ3-CD2 4Å; W14-F401 HydrophobicContact CZ3-CD2 4Å; W14-F401 HydrophobicContact CZ3-CE2 4.04Å
15C98Very high95.9Very high2 Ų232.7 Ų32.71%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-144.3145.9-172.8610000112.7T27 A28 D113 V114C15-T27 WeakPolarHBondContact O-CA 3.35Å; C15-A28 PolarHBondContact N-O 2.79Å; C15-A28 VanDerWaalsContact N-O 3.08Å; C15-A28 PolarHBondContact O-N 3.11Å; C15-D113 VanDerWaalsContact SG-CA 3.56Å; C15-V114 HydrophobicContact CB-CG2 4.33Å
16M98.3Very high96.2Very high3 Ų332.7 Ų32.72%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-137.7139.9173.1-62.2-163.3-75.700108.9V13 L25 A26 T27 S341 V343 V397 A399 I405V13-M16 HydrophobicContact CG1-CG 4.05Å; M16-L25 HydrophobicContact CB-CD1 4.27Å; M16-A26 CarbonylContact C-O 3.53Å; M16-A26 VanDerWaalsContact CA-O 3.28Å; M16-A26 WeakPolarHBondContact CA-O 3.43Å; M16-T27 HydrophobicContact CB-CG2 4.39Å; M16-T27 HydrophobicContact CG-CG2 3.74Å; M16-T27 HydrophobicContact SD-CG2 3.93Å; M16-S341 VanDerWaalsContact CE-O 3.32Å; M16-S341 WeakPolarHBondContact CE-O 3.38Å; M16-V343 HydrophobicContact CB-CG1 4.21Å; M16-V343 HydrophobicContact CB-CG2 4.14Å; M16-V343 HydrophobicContact CE-CG2 4.16Å; M16-V397 HydrophobicContact CE-CB 4.47Å; M16-V397 HydrophobicContact CE-CG1 4.19Å; M16-V397 WeakPolarHBondContact CE-O 3.46Å; M16-V397 HydrophobicContact SD-CB 4.5Å; M16-V397 HydrophobicContact SD-CG1 3.81Å; M16-A399 HydrophobicContact CE-CB 3.71Å; M16-A399 HydrophobicContact CG-CB 4.42Å; M16-A399 HydrophobicContact SD-CB 3.7Å; M16-I405 HydrophobicContact SD-CG2 4.42Å
17N98.1Very high96.7Very high35 Ų3531.8 Ų31.819%0.18716%0.157CC..EExtended strand (participates in β ladder)trans-151.6133.4176-152.1-10.8000111.6A26 V114 W116N17-A26 PolarHBondContact N-O 3.2Å; N17-A26 PolarHBondContact O-N 3.2Å; N17-V114 HydrophobicContact CB-CG2 3.93Å; N17-V114 WeakPolarHBondContact CB-O 3.44Å; N17-V114 PolarHBondContact ND2-O 3.47Å; N17-W116 PolarHBondContact O-NE1 3.5Å
18F98.3Very high97.2Very high12 Ų1222.8 Ų22.85%0.05312%0.118CC..EExtended strand (participates in β ladder)trans-83.2146.1175.8-84.4-86.7000110.6L24 L25 F96 W116 V343 A345 P346 L395 V397F18-L24 WeakPolarHBondContact CA-O 3.48Å; F18-L24 WeakPolarHBondContact CD1-O 3.4Å; F18-L25 HydrophobicContact CD1-CB 4.16Å; F18-L25 HydrophobicContact CD1-CD1 4.32Å; F18-L25 HydrophobicContact CD2-CD1 3.79Å; F18-L25 HydrophobicContact CE1-CB 4.02Å; F18-L25 HydrophobicContact CE1-CD1 4.34Å; F18-L25 HydrophobicContact CE2-CD1 3.8Å; F18-L25 HydrophobicContact CG-CD1 4.06Å; F18-L25 HydrophobicContact CZ-CB 4.39Å; F18-L25 HydrophobicContact CZ-CD1 4.08Å; F18-F96 HydrophobicContact CE1-CE1 4.32Å; F18-F96 AromaticContact CE1-CZ 3.72Å; F18-F96 HydrophobicContact CE1-CZ 3.72Å; F18-F96 AromaticContact CZ-CZ 3.9Å; F18-F96 HydrophobicContact CZ-CZ 3.9Å; F18-W116 VanDerWaalsContact O-CD1 3.24Å; F18-V343 HydrophobicContact CD2-CG2 4.06Å; F18-V343 HydrophobicContact CE2-CG2 3.83Å; F18-A345 HydrophobicContact CE1-CB 4.34Å; F18-A345 HydrophobicContact CE2-CB 4.25Å; F18-A345 HydrophobicContact CZ-CB 4Å; F18-P346 VanDerWaalsContact CB-CD 3.46Å; F18-P346 HydrophobicContact CB-CG 3.77Å; F18-P346 VanDerWaalsContact CG-CD 3.46Å; F18-P346 HydrophobicContact CG-CG 4.27Å; F18-L395 HydrophobicContact CZ-CD2 4.05Å; F18-V397 HydrophobicContact CE2-CG2 4.03Å; F18-V397 HydrophobicContact CZ-CG2 3.81Å
19S97.8Very high97.4Very high1 Ų121 Ų211%0.00711%0.11CC..  trans-64.5153162.457.40000111.1C21 G22 L24S19-C21 PolarHBondContact O-N 3.32Å; S19-C21 VanDerWaalsContact O-N 3.08Å; S19-C21 PolarHBondContact OG-SG 3.29Å; S19-C21 VanDerWaalsContact OG-SG 3.33Å; S19-G22 WeakPolarHBondContact O-CA 3.38Å; S19-G22 PolarHBondContact O-N 3.02Å; S19-L24 PolarHBondContact N-O 3.32Å; S19-L24 WeakPolarHBondContact OG-CB 3.4Å; S19-L24 PolarHBondContact OG-N 3.49Å; S19-L24 VanDerWaalsContact OG-N 3.08Å; S19-L24 PolarHBondContact OG-O 3.05Å
20D94Very high97.5Very high91 Ų9124.6 Ų24.649%0.48713%0.127SC..THydrogen-bonded Turntrans-58-26.3179-68-5.9000113.8G22 K118 K347D20-G22 PolarHBondContact O-N 3.46Å; D20-K118 WeakPolarHBondContact OD2-CG 3.35Å; D20-K347 WeakPolarHBondContact O-CE 3.35Å; D20-K347 PolarHBondContact O-NZ 3.23Å
21C95.1Very high97.6Very high13 Ų1320.8 Ų20.89%0.08810%0.102CC..THydrogen-bonded Turntrans-77.4-10.6176.475.20000113S19 R23S19-C21 PolarHBondContact O-N 3.32Å; S19-C21 VanDerWaalsContact O-N 3.08Å; S19-C21 PolarHBondContact OG-SG 3.29Å; S19-C21 VanDerWaalsContact OG-SG 3.33Å; C21-R23 PolarHBondContact O-N 3.29Å
22G96.1Very high97.7Very high0 Ų021.1 Ų21.10%010%0.102CC..SBendtrans70.29.8-178.800000114.8S19 D20S19-G22 WeakPolarHBondContact O-CA 3.38Å; S19-G22 PolarHBondContact O-N 3.02Å; D20-G22 PolarHBondContact O-N 3.46Å
23R97.5Very high97.8Very high94 Ų9421.3 Ų21.336%0.35510%0.103SC..SBendtrans-103.5-16.8-175.1-60.7179.2174.4100.61.7114.2C21 V38 L39 A42 F46 V350C21-R23 PolarHBondContact O-N 3.29Å; R23-V38 WeakPolarHBondContact O-CA 3.43Å; R23-L39 HydrophobicContact CB-CD1 4.28Å; R23-L39 HydrophobicContact CG-CD1 4.16Å; R23-L39 PolarHBondContact O-N 3.47Å; R23-A42 HydrophobicContact CB-CB 3.85Å; R23-A42 HydrophobicContact CG-CB 4.17Å; R23-F46 HydrophobicContact CB-CE2 4Å; R23-V350 HydrophobicContact CG-CG1 4.39Å
24L98.3Very high97.8Very high0 Ų021.4 Ų21.40%010%0.103CC..EExtended strand (participates in β ladder)trans-120.2140.5176.1-55168.6000109.9F18 S19 I36 W37 V38 F46 L101 W116 Y120 I136F18-L24 WeakPolarHBondContact CA-O 3.48Å; F18-L24 WeakPolarHBondContact CD1-O 3.4Å; S19-L24 PolarHBondContact N-O 3.32Å; S19-L24 WeakPolarHBondContact OG-CB 3.4Å; S19-L24 PolarHBondContact OG-N 3.49Å; S19-L24 VanDerWaalsContact OG-N 3.08Å; S19-L24 PolarHBondContact OG-O 3.05Å; L24-I36 HydrophobicContact CB-CG2 4.13Å; L24-I36 HydrophobicContact CD2-CG2 4.05Å; L24-W37 CarbonylContact C-O 3.45Å; L24-W37 VanDerWaalsContact CA-O 3.24Å; L24-W37 WeakPolarHBondContact CA-O 3.5Å; L24-V38 HydrophobicContact CD2-CB 3.71Å; L24-V38 HydrophobicContact CD2-CG2 3.63Å; L24-F46 HydrophobicContact CD1-CD1 4.13Å; L24-F46 HydrophobicContact CD1-CE1 3.71Å; L24-F46 HydrophobicContact CD1-CE2 4.16Å; L24-F46 HydrophobicContact CD1-CZ 3.72Å; L24-F46 HydrophobicContact CD2-CD2 3.79Å; L24-F46 HydrophobicContact CD2-CE2 3.86Å; L24-F46 HydrophobicContact CD2-CG 4.14Å; L24-F46 HydrophobicContact CD2-CZ 4.29Å; L24-F46 HydrophobicContact CG-CD2 4.29Å; L24-F46 HydrophobicContact CG-CE1 4.33Å; L24-F46 HydrophobicContact CG-CE2 3.86Å; L24-F46 HydrophobicContact CG-CZ 3.89Å; L24-L101 HydrophobicContact CD2-CD2 3.95Å; L24-W116 HydrophobicContact CB-CH2 3.9Å; L24-W116 HydrophobicContact CB-CZ2 3.91Å; L24-W116 HydrophobicContact CD1-CH2 3.78Å; L24-W116 HydrophobicContact CD1-CZ3 4.03Å; L24-W116 HydrophobicContact CG-CH2 4.48Å; L24-Y120 HydrophobicContact CD1-CD1 4.1Å; L24-Y120 HydrophobicContact CD1-CE1 4.48Å; L24-I136 HydrophobicContact CD1-CD1 4.38Å; L24-I136 HydrophobicContact CD1-CG1 4.03Å
25L98.6Very high97.8Very high0 Ų019.8 Ų19.80%010%0.097CC..EExtended strand (participates in β ladder)trans-119.7128.2171.1172.669.9000108M16 F18 T27 I36 W37 F96 V343 V397M16-L25 HydrophobicContact CB-CD1 4.27Å; F18-L25 HydrophobicContact CD1-CB 4.16Å; F18-L25 HydrophobicContact CD1-CD1 4.32Å; F18-L25 HydrophobicContact CD2-CD1 3.79Å; F18-L25 HydrophobicContact CE1-CB 4.02Å; F18-L25 HydrophobicContact CE1-CD1 4.34Å; F18-L25 HydrophobicContact CE2-CD1 3.8Å; F18-L25 HydrophobicContact CG-CD1 4.06Å; F18-L25 HydrophobicContact CZ-CB 4.39Å; F18-L25 HydrophobicContact CZ-CD1 4.08Å; L25-T27 HydrophobicContact CD2-CG2 3.95Å; L25-T27 HydrophobicContact CG-CG2 3.94Å; L25-I36 CarbonylContact O-C 3.6Å; L25-I36 WeakPolarHBondContact O-CA 3.46Å; L25-W37 HydrophobicContact CB-CB 4.24Å; L25-W37 PolarHBondContact N-O 3.33Å; L25-W37 PolarHBondContact O-N 3.1Å; L25-F96 HydrophobicContact CB-CE1 3.99Å; L25-F96 HydrophobicContact CB-CZ 4.21Å; L25-F96 HydrophobicContact CD2-CZ 4.36Å; L25-V343 HydrophobicContact CD1-CG2 4.48Å; L25-V397 HydrophobicContact CD2-CB 4.43Å; L25-V397 HydrophobicContact CD2-CG1 3.95Å; L25-V397 HydrophobicContact CD2-CG2 4.24Å
26A98.7Very high97.8Very high0 Ų019.7 Ų19.70%010%0.096CC..EExtended strand (participates in β ladder)trans-96.6135.9167.900000109.3M16 N17 I34 R35 I36 V114 W116M16-A26 CarbonylContact C-O 3.53Å; M16-A26 VanDerWaalsContact CA-O 3.28Å; M16-A26 WeakPolarHBondContact CA-O 3.43Å; N17-A26 PolarHBondContact N-O 3.2Å; N17-A26 PolarHBondContact O-N 3.2Å; A26-I34 HydrophobicContact CB-CG2 4.44Å; A26-R35 CarbonylContact C-O 3.55Å; A26-R35 WeakPolarHBondContact CA-O 3.47Å; A26-I36 HydrophobicContact CB-CD1 3.68Å; A26-V114 HydrophobicContact CB-CB 4.47Å; A26-V114 HydrophobicContact CB-CG2 4.07Å; A26-W116 HydrophobicContact CB-CZ2 3.79Å
27T98.7Very high97.8Very high0 Ų019.5 Ų19.50%010%0.096CC..EExtended strand (participates in β ladder)trans-130.6141.3172.163.90000109.7H9 C15 M16 L25 I34 R35 W37 I405H9-T27 PolarHBondContact NE2-OG1 3.45Å; C15-T27 WeakPolarHBondContact O-CA 3.35Å; M16-T27 HydrophobicContact CB-CG2 4.39Å; M16-T27 HydrophobicContact CG-CG2 3.74Å; M16-T27 HydrophobicContact SD-CG2 3.93Å; L25-T27 HydrophobicContact CD2-CG2 3.95Å; L25-T27 HydrophobicContact CG-CG2 3.94Å; T27-I34 CarbonylContact O-C 3.59Å; T27-I34 WeakPolarHBondContact O-CA 3.4Å; T27-R35 PolarHBondContact N-O 3.39Å; T27-R35 PolarHBondContact O-N 3.41Å; T27-W37 PolarHBondContact OG1-NE1 3.46Å; T27-I405 HydrophobicContact CG2-CD1 4Å
28A98.6Very high97.8Very high0 Ų017.9 Ų17.90%09%0.087CC..EExtended strand (participates in β ladder)trans-155159.5177.900000111.2W14 C15 I34 V111 V114W14-A28 PolarHBondContact N-O 3.47Å; C15-A28 PolarHBondContact N-O 2.79Å; C15-A28 VanDerWaalsContact N-O 3.08Å; C15-A28 PolarHBondContact O-N 3.11Å; A28-I34 HydrophobicContact CB-CB 4.31Å; A28-I34 HydrophobicContact CB-CG1 3.84Å; A28-I34 HydrophobicContact CB-CG2 4.42Å; A28-V111 HydrophobicContact CB-CB 3.67Å; A28-V111 HydrophobicContact CB-CG1 3.42Å; A28-V111 VanDerWaalsContact CB-CG1 3.42Å; A28-V111 HydrophobicContact CB-CG2 4.43Å; A28-V114 HydrophobicContact CB-CG1 3.77Å
29G98Very high97.8Very high0 Ų017.3 Ų17.30%08%0.084CC..  trans-175.2-143.1-175.600000114.2A12 W14 D31 S32 V111A12-G29 CarbonylContact O-C 3.57Å; A12-G29 VanDerWaalsContact O-CA 3.24Å; A12-G29 WeakPolarHBondContact O-CA 3.5Å; W14-G29 VanDerWaalsContact CD1-CA 3.44Å; G29-D31 VanDerWaalsContact C-N 3.32Å; G29-D31 PolarHBondContact O-N 3.49Å; G29-S32 PolarHBondContact O-N 3.03Å; G29-V111 PolarHBondContact O-N 3.12Å
30Q98.2Very high97.7Very high85 Ų8520.3 Ų20.340%0.39710%0.097SC..THydrogen-bonded Turntrans-62.2-33.4-172.7-170.3174.918.200113.8A12 S32A12-Q30 HydrophobicContact CB-CB 4.47Å; A12-Q30 VanDerWaalsContact N-OE1 3.13Å; A12-Q30 PolarHBondContact O-N 3.41Å; Q30-S32 PolarHBondContact O-N 3.42Å; Q30-S32 PolarHBondContact O-OG 3.38Å
31D97.9Very high97.7Very high34 Ų3419 Ų1918%0.18210%0.096CC..THydrogen-bonded Turntrans-72.23.2179.269-16.7000114.6H9 V10 G29 V33 R35H9-D31 IonicContact CE1-OD1 2.72Å; H9-D31 IonicContact CG-OD2 3.58Å; H9-D31 IonicContact ND1-OD1 3.57Å; H9-D31 PolarHBondContact ND1-OD1 3.03Å; H9-D31 IonicContact ND1-OD2 3.61Å; H9-D31 PolarHBondContact ND1-OD2 3.28Å; V10-D31 HydrophobicContact CB-CB 4.45Å; V10-D31 WeakPolarHBondContact O-CB 3.16Å; G29-D31 VanDerWaalsContact C-N 3.32Å; G29-D31 PolarHBondContact O-N 3.49Å; D31-V33 WeakPolarHBondContact O-CG2 3.39Å; D31-V33 PolarHBondContact O-N 2.87Å; D31-V33 VanDerWaalsContact O-N 3.1Å; D31-V33 PolarHBondContact OD1-N 3.3Å; D31-R35 IonicContact OD1-NH1 3.78Å; D31-R35 IonicContact OD2-CZ 3.25Å; D31-R35 IonicContact OD2-NH1 2.96Å; D31-R35 PolarHBondContact OD2-NH1 3.35Å; D31-R35 IonicContact OD2-NH2 3.18Å; D31-R35 PolarHBondContact OD2-NH2 3.49Å
32S98.4Very high97.8Very high23 Ų2318.7 Ų18.716%0.1619%0.093CC..SBendtrans63.314.2176.1-47.10000114.6G29 Q30 S109G29-S32 PolarHBondContact O-N 3.03Å; Q30-S32 PolarHBondContact O-N 3.42Å; Q30-S32 PolarHBondContact O-OG 3.38Å; S32-S109 WeakPolarHBondContact CB-O 3.43Å; S32-S109 WeakPolarHBondContact OG-CA 3.46Å; S32-S109 PolarHBondContact OG-N 3.01Å; S32-S109 PolarHBondContact OG-O 3.43Å; S32-S109 VanDerWaalsContact OG-O 3.12Å
33V98.4Very high97.9Very high5 Ų522.4 Ų22.43%0.0311%0.11CC..  trans-113.7131.6-178.9-179.80000109.8H9 D31 R35 R105H9-V33 PolarHBondContact CE1-O 3.19Å; D31-V33 WeakPolarHBondContact O-CG2 3.39Å; D31-V33 PolarHBondContact O-N 2.87Å; D31-V33 VanDerWaalsContact O-N 3.1Å; D31-V33 PolarHBondContact OD1-N 3.3Å; V33-R35 HydrophobicContact CG1-CG 4.15Å; V33-R105 HydrophobicContact CG1-CG 4.33Å; V33-R105 HydrophobicContact CG2-CG 4.14Å
34I98.7Very high97.8Very high1 Ų125.2 Ų25.21%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-92.3122.4169.5-5499.1000108.5A26 T27 A28 I36 S103 F104 V111 V114 W134A26-I34 HydrophobicContact CB-CG2 4.44Å; T27-I34 CarbonylContact O-C 3.59Å; T27-I34 WeakPolarHBondContact O-CA 3.4Å; A28-I34 HydrophobicContact CB-CB 4.31Å; A28-I34 HydrophobicContact CB-CG1 3.84Å; A28-I34 HydrophobicContact CB-CG2 4.42Å; I34-I36 HydrophobicContact CG2-CD1 4.07Å; I34-S103 CarbonylContact O-C 3.55Å; I34-S103 VanDerWaalsContact O-CA 3.3Å; I34-S103 WeakPolarHBondContact O-CA 3.23Å; I34-F104 HydrophobicContact CB-CB 4.23Å; I34-F104 HydrophobicContact CB-CD2 4.17Å; I34-F104 HydrophobicContact CD1-CB 4.2Å; I34-F104 HydrophobicContact CG2-CD2 4.21Å; I34-F104 PolarHBondContact N-O 2.97Å; I34-F104 VanDerWaalsContact N-O 3.11Å; I34-F104 PolarHBondContact O-N 3.3Å; I34-V111 HydrophobicContact CD1-CG2 4.23Å; I34-V111 HydrophobicContact CG1-CG1 4.23Å; I34-V111 HydrophobicContact CG1-CG2 4.38Å; I34-V114 HydrophobicContact CG1-CG1 4.27Å; I34-V114 HydrophobicContact CG2-CG1 4.23Å; I34-W134 HydrophobicContact CD1-CZ2 4.05Å
35R98.5Very high97.7Very high16 Ų1629.8 Ų29.86%0.0615%0.146CC..EExtended strand (participates in β ladder)trans-106.9136.9176-71179.6-17670.9-3.5110.5F8 H9 A26 T27 D31 V33 W37 P100F8-R35 PolarHBondContact O-NE 2.99Å; F8-R35 PolarHBondContact O-NH2 3.27Å; H9-R35 PolarHBondContact CE1-NH1 3.14Å; H9-R35 PolarHBondContact ND1-NH1 3.17Å; H9-R35 PolarHBondContact NE2-NH1 3.47Å; A26-R35 CarbonylContact C-O 3.55Å; A26-R35 WeakPolarHBondContact CA-O 3.47Å; T27-R35 PolarHBondContact N-O 3.39Å; T27-R35 PolarHBondContact O-N 3.41Å; D31-R35 IonicContact OD1-NH1 3.78Å; D31-R35 IonicContact OD2-CZ 3.25Å; D31-R35 IonicContact OD2-NH1 2.96Å; D31-R35 PolarHBondContact OD2-NH1 3.35Å; D31-R35 IonicContact OD2-NH2 3.18Å; D31-R35 PolarHBondContact OD2-NH2 3.49Å; V33-R35 HydrophobicContact CG1-CG 4.15Å; R35-W37 HydrophobicContact CB-CZ2 4.31Å; R35-P100 HydrophobicContact CB-CB 4.35Å; R35-P100 HydrophobicContact CB-CG 4.38Å; R35-P100 HydrophobicContact CG-CG 4.34Å
36I98.5Very high97.7Very high0 Ų029.9 Ų29.90%015%0.146CC..EExtended strand (participates in β ladder)trans-109120.3175.4-48.1-57.5000109.4L24 L25 A26 I34 P100 L101 C102 F104 W116 V122 I136L24-I36 HydrophobicContact CB-CG2 4.13Å; L24-I36 HydrophobicContact CD2-CG2 4.05Å; L25-I36 CarbonylContact O-C 3.6Å; L25-I36 WeakPolarHBondContact O-CA 3.46Å; A26-I36 HydrophobicContact CB-CD1 3.68Å; I34-I36 HydrophobicContact CG2-CD1 4.07Å; I36-P100 CarbonylContact O-C 3.56Å; I36-P100 WeakPolarHBondContact O-CA 3.34Å; I36-L101 WeakPolarHBondContact O-CB 3.25Å; I36-L101 PolarHBondContact O-N 3.29Å; I36-C102 PolarHBondContact N-O 3.42Å; I36-F104 HydrophobicContact CD1-CD2 4.49Å; I36-F104 HydrophobicContact CD1-CE2 3.98Å; I36-F104 HydrophobicContact CG1-CD2 4.43Å; I36-F104 HydrophobicContact CG1-CE2 3.79Å; I36-F104 HydrophobicContact CG1-CZ 4.3Å; I36-W116 HydrophobicContact CD1-CH2 3.97Å; I36-W116 HydrophobicContact CD1-CZ2 3.82Å; I36-W116 HydrophobicContact CG2-CH2 3.95Å; I36-W116 HydrophobicContact CG2-CZ2 4.11Å; I36-V122 HydrophobicContact CD1-CG2 4.44Å; I36-I136 HydrophobicContact CB-CD1 3.98Å; I36-I136 HydrophobicContact CG1-CD1 3.91Å; I36-I136 HydrophobicContact CG2-CD1 3.62Å
37W98.4Very high97.5Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-100.1145.6175-44.985.2000109.3L5 F8 L24 L25 T27 R35 F96 P100 I405L5-W37 HydrophobicContact CB-CE3 4.21Å; L5-W37 HydrophobicContact CB-CH2 3.92Å; L5-W37 HydrophobicContact CB-CZ2 4.42Å; L5-W37 HydrophobicContact CB-CZ3 3.82Å; L5-W37 HydrophobicContact CD1-CD2 4.03Å; L5-W37 HydrophobicContact CD1-CE3 3.93Å; L5-W37 HydrophobicContact CD1-CG 4.33Å; L5-W37 HydrophobicContact CD1-CZ3 4.39Å; L5-W37 HydrophobicContact CD2-CE3 3.93Å; L5-W37 HydrophobicContact CD2-CZ3 3.95Å; L5-W37 HydrophobicContact CG-CE3 4.25Å; L5-W37 HydrophobicContact CG-CZ3 4.27Å; L5-W37 WeakPolarHBondContact O-CH2 3.44Å; F8-W37 HydrophobicContact CB-CH2 3.88Å; F8-W37 HydrophobicContact CB-CZ2 4.38Å; F8-W37 AromaticContact CD2-CH2 3.47Å; F8-W37 HydrophobicContact CD2-CH2 3.47Å; F8-W37 VanDerWaalsContact CD2-CH2 3.47Å; F8-W37 AromaticContact CD2-CZ3 3.86Å; F8-W37 HydrophobicContact CD2-CZ3 3.86Å; F8-W37 HydrophobicContact CE2-CH2 4.21Å; F8-W37 HydrophobicContact CE2-CZ3 4.13Å; F8-W37 AromaticContact CG-CH2 3.83Å; F8-W37 HydrophobicContact CG-CH2 3.83Å; F8-W37 HydrophobicContact CG-CZ3 4.43Å; L24-W37 CarbonylContact C-O 3.45Å; L24-W37 VanDerWaalsContact CA-O 3.24Å; L24-W37 WeakPolarHBondContact CA-O 3.5Å; L25-W37 HydrophobicContact CB-CB 4.24Å; L25-W37 PolarHBondContact N-O 3.33Å; L25-W37 PolarHBondContact O-N 3.1Å; T27-W37 PolarHBondContact OG1-NE1 3.46Å; R35-W37 HydrophobicContact CB-CZ2 4.31Å; W37-F96 HydrophobicContact CB-CD1 3.84Å; W37-F96 HydrophobicContact CB-CE1 4.22Å; W37-P100 HydrophobicContact CD2-CG 4.49Å; W37-P100 HydrophobicContact CE3-CB 4.49Å; W37-P100 HydrophobicContact CE3-CG 4.06Å; W37-P100 HydrophobicContact CH2-CG 3.8Å; W37-P100 HydrophobicContact CZ2-CG 4.21Å; W37-P100 HydrophobicContact CZ3-CG 3.71Å; W37-I405 HydrophobicContact CZ2-CD1 3.77Å
38V98Very high97.3Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-130.8140.3-175.963.20000110.9R23 L24 A42 F43 F46 F96 M97 L101R23-V38 WeakPolarHBondContact O-CA 3.43Å; L24-V38 HydrophobicContact CD2-CB 3.71Å; L24-V38 HydrophobicContact CD2-CG2 3.63Å; V38-A42 HydrophobicContact CG2-CB 3.98Å; V38-F43 HydrophobicContact CG1-CB 4.35Å; V38-F43 HydrophobicContact CG1-CD2 3.7Å; V38-F46 HydrophobicContact CG2-CD2 3.75Å; V38-F46 HydrophobicContact CG2-CE2 4.44Å; V38-F96 CarbonylContact O-C 3.57Å; V38-F96 WeakPolarHBondContact O-CA 3.22Å; V38-M97 HydrophobicContact CG1-CB 4.24Å; V38-M97 HydrophobicContact CG1-CG 3.77Å; V38-M97 PolarHBondContact O-N 2.87Å; V38-L101 HydrophobicContact CB-CB 4.14Å; V38-L101 HydrophobicContact CB-CD2 4.19Å; V38-L101 HydrophobicContact CG1-CB 3.79Å; V38-L101 HydrophobicContact CG1-CD1 4.33Å; V38-L101 HydrophobicContact CG1-CD2 4.4Å; V38-L101 HydrophobicContact CG1-CG 4.39Å; V38-L101 HydrophobicContact CG2-CD2 4.48Å
39L97.4Very high97.1Very high0 Ų035.9 Ų35.90%018%0.18CC..BIsolated β-bridgetrans-62.2141.7172.1-65.4-176.4000110.9R23 S41 A42 F43 P95 F96 V350 I351R23-L39 HydrophobicContact CB-CD1 4.28Å; R23-L39 HydrophobicContact CG-CD1 4.16Å; R23-L39 PolarHBondContact O-N 3.47Å; L39-S41 VanDerWaalsContact C-N 3.25Å; L39-S41 PolarHBondContact O-N 3.38Å; L39-A42 HydrophobicContact CB-CB 4.35Å; L39-A42 PolarHBondContact O-N 3.46Å; L39-F43 PolarHBondContact O-N 3.17Å; L39-F43 VanDerWaalsContact O-N 3.08Å; L39-P95 WeakPolarHBondContact CA-O 3.48Å; L39-P95 HydrophobicContact CD2-CB 3.97Å; L39-F96 HydrophobicContact CD2-CD1 3.92Å; L39-F96 HydrophobicContact CD2-CD2 4.42Å; L39-F96 HydrophobicContact CD2-CE1 3.8Å; L39-F96 HydrophobicContact CD2-CE2 4.31Å; L39-F96 HydrophobicContact CD2-CG 4.24Å; L39-F96 HydrophobicContact CD2-CZ 4Å; L39-F96 HydrophobicContact CG-CE1 4.41Å; L39-V350 HydrophobicContact CD1-CG1 4.38Å; L39-I351 HydrophobicContact CD1-CD1 4.41Å; L39-I351 HydrophobicContact CD1-CG1 3.74Å; L39-I351 HydrophobicContact CD2-CD1 4.26Å; L39-I351 HydrophobicContact CD2-CG1 4.14Å
40K95.9Very high96.9Very high65 Ų6538 Ų3828%0.28319%0.188SC..Hα-helixtrans-53.5-41.5-179.9-62.9-179177.5-179.40112.5A42 F43 E91 S94 P95 F96 M97K40-A42 PolarHBondContact O-N 3.1Å; K40-F43 PolarHBondContact O-N 3.11Å; K40-E91 PolarHBondContact NZ-O 3.04Å; K40-S94 WeakPolarHBondContact CD-O 3.48Å; K40-S94 WeakPolarHBondContact CE-O 3.44Å; K40-S94 PolarHBondContact NZ-O 3.24Å; K40-P95 PolarHBondContact N-O 3.24Å; K40-F96 WeakPolarHBondContact CE-O 3.38Å; K40-M97 HydrophobicContact CB-SD 4.22Å; K40-M97 HydrophobicContact CG-SD 3.89Å
41S94.3Very high96.6Very high64 Ų6436.5 Ų36.545%0.44819%0.191SC..Hα-helixtrans-65.9-19.9178.460.80000114.3L39 Q354L39-S41 VanDerWaalsContact C-N 3.25Å; L39-S41 PolarHBondContact O-N 3.38Å; S41-Q354 PolarHBondContact OG-OE1 2.94Å
42A96.8Very high96.2Very high5 Ų541.6 Ų41.64%0.04121%0.207CC..Hα-helixtrans-105.4-10.1-17700000113R23 V38 L39 K40 K44 H45 F46R23-A42 HydrophobicContact CB-CB 3.85Å; R23-A42 HydrophobicContact CG-CB 4.17Å; V38-A42 HydrophobicContact CG2-CB 3.98Å; L39-A42 HydrophobicContact CB-CB 4.35Å; L39-A42 PolarHBondContact O-N 3.46Å; K40-A42 PolarHBondContact O-N 3.1Å; A42-K44 PolarHBondContact O-N 3.4Å; A42-H45 PolarHBondContact O-N 3.49Å; A42-F46 HydrophobicContact CB-CD2 3.9Å; A42-F46 HydrophobicContact CB-CE2 3.85Å; A42-F46 VanDerWaalsContact O-CD2 3.32Å; A42-F46 WeakPolarHBondContact O-CD2 3.21Å; A42-F46 PolarHBondContact O-N 2.86Å; A42-F46 VanDerWaalsContact O-N 3.16Å
43F97Very high95.4Very high78 Ų7844.8 Ų44.834%0.34222%0.216SC..Hα-helixtrans-53.6-54-175178.8-107.4000111.9V38 L39 K40 H45 F46 S47 M97 L101V38-F43 HydrophobicContact CG1-CB 4.35Å; V38-F43 HydrophobicContact CG1-CD2 3.7Å; L39-F43 PolarHBondContact O-N 3.17Å; L39-F43 VanDerWaalsContact O-N 3.08Å; K40-F43 PolarHBondContact O-N 3.11Å; F43-H45 VanDerWaalsContact C-N 3.32Å; F43-H45 PolarHBondContact O-N 2.9Å; F43-F46 PolarHBondContact O-N 3.39Å; F43-S47 WeakPolarHBondContact CE2-OG 3.48Å; F43-S47 WeakPolarHBondContact CZ-OG 3.46Å; F43-S47 VanDerWaalsContact O-CB 3.32Å; F43-S47 WeakPolarHBondContact O-CB 3.37Å; F43-S47 PolarHBondContact O-N 3.5Å; F43-S47 PolarHBondContact O-OG 2.89Å; F43-M97 HydrophobicContact CB-CG 3.9Å; F43-M97 HydrophobicContact CB-SD 3.9Å; F43-M97 HydrophobicContact CD1-CE 4.06Å; F43-M97 HydrophobicContact CD1-SD 4.38Å; F43-M97 HydrophobicContact CD2-CE 4.07Å; F43-M97 HydrophobicContact CD2-CG 3.64Å; F43-M97 HydrophobicContact CD2-SD 4.18Å; F43-M97 HydrophobicContact CE1-CE 4.21Å; F43-M97 HydrophobicContact CE2-CE 4.21Å; F43-M97 HydrophobicContact CE2-CG 4.39Å; F43-M97 HydrophobicContact CG-CE 3.99Å; F43-M97 HydrophobicContact CG-CG 3.9Å; F43-M97 HydrophobicContact CG-SD 3.9Å; F43-M97 HydrophobicContact CZ-CE 4.28Å; F43-L101 HydrophobicContact CD2-CD1 4.24Å; F43-L101 HydrophobicContact CE2-CD1 4.09Å
44K96.7Very high94.4Very high153 Ų15352.8 Ų52.867%0.66525%0.247SC*.Hα-helixtrans-55-46.8179.7-175.9173.4-178.7176.30112.1A42 F46 S47 D48A42-K44 PolarHBondContact O-N 3.4Å; K44-F46 PolarHBondContact O-N 3Å; K44-S47 PolarHBondContact O-N 2.94Å; K44-D48 WeakPolarHBondContact O-CB 3.42Å; K44-D48 PolarHBondContact O-N 3.27Å
45H96.6Very high93.2Very high97 Ų9756.8 Ų56.845%0.44927%0.271SS..Hα-helixtrans-58.6-47.2-179.4174.677.8000112.7A42 F43 M49A42-H45 PolarHBondContact O-N 3.49Å; F43-H45 VanDerWaalsContact C-N 3.32Å; F43-H45 PolarHBondContact O-N 2.9Å; H45-M49 WeakPolarHBondContact O-CB 3.48Å; H45-M49 PolarHBondContact O-N 3.5Å
46F96.9Very high91.8Very high1 Ų162.1 Ų62.10%0.00430%0.295CS..Hα-helixtrans-77.3-31.8-178.7-71.2-67.9000112.9R23 L24 V38 A42 F43 K44 M49 R50 L101 Y120R23-F46 HydrophobicContact CB-CE2 4Å; L24-F46 HydrophobicContact CD1-CD1 4.13Å; L24-F46 HydrophobicContact CD1-CE1 3.71Å; L24-F46 HydrophobicContact CD1-CE2 4.16Å; L24-F46 HydrophobicContact CD1-CZ 3.72Å; L24-F46 HydrophobicContact CD2-CD2 3.79Å; L24-F46 HydrophobicContact CD2-CE2 3.86Å; L24-F46 HydrophobicContact CD2-CG 4.14Å; L24-F46 HydrophobicContact CD2-CZ 4.29Å; L24-F46 HydrophobicContact CG-CD2 4.29Å; L24-F46 HydrophobicContact CG-CE1 4.33Å; L24-F46 HydrophobicContact CG-CE2 3.86Å; L24-F46 HydrophobicContact CG-CZ 3.89Å; V38-F46 HydrophobicContact CG2-CD2 3.75Å; V38-F46 HydrophobicContact CG2-CE2 4.44Å; A42-F46 HydrophobicContact CB-CD2 3.9Å; A42-F46 HydrophobicContact CB-CE2 3.85Å; A42-F46 VanDerWaalsContact O-CD2 3.32Å; A42-F46 WeakPolarHBondContact O-CD2 3.21Å; A42-F46 PolarHBondContact O-N 2.86Å; A42-F46 VanDerWaalsContact O-N 3.16Å; F43-F46 PolarHBondContact O-N 3.39Å; K44-F46 PolarHBondContact O-N 3Å; F46-M49 HydrophobicContact CD1-CE 4.15Å; F46-M49 HydrophobicContact CD1-SD 4.27Å; F46-M49 HydrophobicContact CE1-CE 4.2Å; F46-M49 WeakPolarHBondContact O-CB 3.4Å; F46-M49 PolarHBondContact O-N 3.3Å; F46-R50 WeakPolarHBondContact O-CG 3.43Å; F46-R50 PolarHBondContact O-N 2.91Å; F46-L101 HydrophobicContact CB-CD2 3.69Å; F46-L101 HydrophobicContact CG-CD2 4.41Å; F46-Y120 HydrophobicContact CE1-CD1 4.33Å; F46-Y120 HydrophobicContact CE1-CE1 4.01Å; F46-Y120 HydrophobicContact CE1-CE2 4.17Å; F46-Y120 AromaticContact CE1-CZ 3.92Å; F46-Y120 HydrophobicContact CZ-CE1 4.1Å
47S95.5Very high90.4Very high32 Ų3263.8 Ų63.822%0.22431%0.307CS..Hα-helixtrans-63.6-46171.3-650000111.2F43 K44 M49 R50 A51F43-S47 WeakPolarHBondContact CE2-OG 3.48Å; F43-S47 WeakPolarHBondContact CZ-OG 3.46Å; F43-S47 VanDerWaalsContact O-CB 3.32Å; F43-S47 WeakPolarHBondContact O-CB 3.37Å; F43-S47 PolarHBondContact O-N 3.5Å; F43-S47 PolarHBondContact O-OG 2.89Å; K44-S47 PolarHBondContact O-N 2.94Å; S47-M49 VanDerWaalsContact C-N 3.31Å; S47-M49 PolarHBondContact O-N 3.22Å; S47-R50 PolarHBondContact O-N 2.95Å; S47-A51 PolarHBondContact O-N 3.45Å
48D95.1Very high88.9Confident71 Ų7170.5 Ų70.538%0.3834%0.336SS..Hα-helixtrans-63-39175.5-66.6-13000111.3K44 A51 R52K44-D48 WeakPolarHBondContact O-CB 3.42Å; K44-D48 PolarHBondContact O-N 3.27Å; D48-A51 PolarHBondContact O-N 2.82Å; D48-R52 WeakPolarHBondContact O-CG 3.37Å; D48-R52 PolarHBondContact O-N 3.48Å
49M93.5Very high87.3Confident24 Ų2474.7 Ų74.712%0.11836%0.358CS..Hα-helixtrans-59.4-46.4174.7-174.9-171.3-69.600111.4H45 F46 S47 R52 Y53 Y120 I136 S137H45-M49 WeakPolarHBondContact O-CB 3.48Å; H45-M49 PolarHBondContact O-N 3.5Å; F46-M49 HydrophobicContact CD1-CE 4.15Å; F46-M49 HydrophobicContact CD1-SD 4.27Å; F46-M49 HydrophobicContact CE1-CE 4.2Å; F46-M49 WeakPolarHBondContact O-CB 3.4Å; F46-M49 PolarHBondContact O-N 3.3Å; S47-M49 VanDerWaalsContact C-N 3.31Å; S47-M49 PolarHBondContact O-N 3.22Å; M49-R52 PolarHBondContact O-N 3.3Å; M49-Y53 WeakPolarHBondContact O-CD2 3.44Å; M49-Y53 PolarHBondContact O-N 3.02Å; M49-Y120 HydrophobicContact CE-CD2 4.3Å; M49-Y120 HydrophobicContact CE-CE2 4.08Å; M49-Y120 HydrophobicContact SD-CD2 4.46Å; M49-I136 HydrophobicContact SD-CG2 3.88Å; M49-S137 WeakPolarHBondContact CG-OG 3.48Å
50R93.6Very high85.7Confident44 Ų4479.8 Ų79.817%0.16638%0.381CS..Hα-helixtrans-63.5-44.7177-72.9173.466.583.32.4111.9F46 S47 R52 Y53 Y54 C102 I136F46-R50 WeakPolarHBondContact O-CG 3.43Å; F46-R50 PolarHBondContact O-N 2.91Å; S47-R50 PolarHBondContact O-N 2.95Å; R50-R52 VanDerWaalsContact C-N 3.35Å; R50-R52 PolarHBondContact O-N 3.47Å; R50-Y53 PolarHBondContact O-N 3.06Å; R50-Y54 PolarHBondContact O-N 3.34Å; R50-Y54 VanDerWaalsContact O-N 3.11Å; R50-C102 VanDerWaalsContact CZ-CB 3.44Å; R50-C102 VanDerWaalsContact NH1-CB 3.33Å; R50-C102 PolarHBondContact NH1-SG 3.02Å; R50-C102 VanDerWaalsContact NH1-SG 3.38Å; R50-I136 WeakPolarHBondContact CD-O 3.4Å; R50-I136 WeakPolarHBondContact CG-O 3.21Å; R50-I136 PolarHBondContact NH1-O 3.1Å
51A91.8Very high84Confident54 Ų5480.8 Ų80.845%0.44639%0.39SS..Hα-helixtrans-59.5-43178.600000112.3S47 D48 Y53 Y54 V55S47-A51 PolarHBondContact O-N 3.45Å; D48-A51 PolarHBondContact O-N 2.82Å; A51-Y53 VanDerWaalsContact C-N 3.3Å; A51-Y53 PolarHBondContact O-N 3.28Å; A51-Y54 PolarHBondContact O-N 3.01Å; A51-V55 WeakPolarHBondContact O-CG2 3.48Å; A51-V55 PolarHBondContact O-N 3.13Å; A51-V55 VanDerWaalsContact O-N 3.11Å
52R89.4Confident82.1Confident140 Ų14081.9 Ų81.953%0.52839%0.391SS..Hα-helixtrans-61.1-36.2177.2-75.2-169-63-99.40.9113.4D48 M49 R50 K56D48-R52 WeakPolarHBondContact O-CG 3.37Å; D48-R52 PolarHBondContact O-N 3.48Å; M49-R52 PolarHBondContact O-N 3.3Å; R50-R52 VanDerWaalsContact C-N 3.35Å; R50-R52 PolarHBondContact O-N 3.47Å; R52-K56 WeakPolarHBondContact O-CG 3.32Å; R52-K56 PolarHBondContact O-N 2.89Å
53Y82Confident80.1Confident90 Ų9088.7 Ų88.735%0.35342%0.42SS..Hα-helixtrans-73.3-38.7177.9-90.6-85.6000112.2M49 R50 A51 V55 K56 S57 S137M49-Y53 WeakPolarHBondContact O-CD2 3.44Å; M49-Y53 PolarHBondContact O-N 3.02Å; R50-Y53 PolarHBondContact O-N 3.06Å; A51-Y53 VanDerWaalsContact C-N 3.3Å; A51-Y53 PolarHBondContact O-N 3.28Å; Y53-V55 VanDerWaalsContact C-N 3.34Å; Y53-V55 PolarHBondContact O-N 2.93Å; Y53-K56 PolarHBondContact O-N 3Å; Y53-S57 PolarHBondContact O-N 2.67Å; Y53-S57 PolarHBondContact O-OG 3.01Å; Y53-S137 WeakPolarHBondContact CD2-OG 3.43Å; Y53-S137 WeakPolarHBondContact CE2-OG 3.38Å
54Y78.4Confident78Confident174 Ų17493.7 Ų93.768%0.68244%0.436SS*.Hα-helixtrans-61.1-41.5176.3-170.8-97.1000112.3R50 A51 S57 F58R50-Y54 PolarHBondContact O-N 3.34Å; R50-Y54 VanDerWaalsContact O-N 3.11Å; A51-Y54 PolarHBondContact O-N 3.01Å; Y54-S57 WeakPolarHBondContact CA-OG 3.41Å; Y54-S57 PolarHBondContact O-N 3.16Å; Y54-S57 PolarHBondContact O-OG 2.86Å; Y54-F58 PolarHBondContact O-N 3.42Å; Y54-F58 VanDerWaalsContact O-N 3.15Å
55V71.9Confident75.7Confident84 Ų8489.7 Ų89.751%0.50943%0.428SS..Hα-helixtrans-65.6-40.6174.2175.70000111.5A51 Y53 F58 I59A51-V55 WeakPolarHBondContact O-CG2 3.48Å; A51-V55 PolarHBondContact O-N 3.13Å; A51-V55 VanDerWaalsContact O-N 3.11Å; Y53-V55 VanDerWaalsContact C-N 3.34Å; Y53-V55 PolarHBondContact O-N 2.93Å; V55-F58 PolarHBondContact O-N 2.84Å; V55-I59 HydrophobicContact CG1-CD1 3.96Å; V55-I59 WeakPolarHBondContact O-CG1 3.41Å; V55-I59 PolarHBondContact O-N 3.28Å
56K70.6Confident73.4Confident128 Ų12891.8 Ų91.856%0.55744%0.441SS*.Hα-helixtrans-64-42.2177.5-78.6-176.1177.4-169.70112.7R52 Y53 F58 I59 E60R52-K56 WeakPolarHBondContact O-CG 3.32Å; R52-K56 PolarHBondContact O-N 2.89Å; Y53-K56 PolarHBondContact O-N 3Å; K56-F58 VanDerWaalsContact C-N 3.29Å; K56-F58 PolarHBondContact O-N 3.46Å; K56-I59 PolarHBondContact O-N 3.15Å; K56-E60 PolarHBondContact O-N 2.83Å
57S69.3Low70.9Confident35 Ų35102.1 Ų102.125%0.24548%0.48CS..Hα-helixtrans-61.9-39.5175.248.40000111.2Y53 Y54 I59 E60 D61Y53-S57 PolarHBondContact O-N 2.67Å; Y53-S57 PolarHBondContact O-OG 3.01Å; Y54-S57 WeakPolarHBondContact CA-OG 3.41Å; Y54-S57 PolarHBondContact O-N 3.16Å; Y54-S57 PolarHBondContact O-OG 2.86Å; S57-I59 PolarHBondContact O-N 3.25Å; S57-E60 PolarHBondContact O-N 2.93Å; S57-D61 WeakPolarHBondContact O-CB 3.32Å; S57-D61 PolarHBondContact O-N 3.5Å
58F67.1Low67.9Low141 Ų141108 Ų10862%0.61851%0.506SS*.Hα-helixtrans-63.4-41.6176.8-162.5-91.2000112.7Y54 V55 K56 D61 D62Y54-F58 PolarHBondContact O-N 3.42Å; Y54-F58 VanDerWaalsContact O-N 3.15Å; V55-F58 PolarHBondContact O-N 2.84Å; K56-F58 VanDerWaalsContact C-N 3.29Å; K56-F58 PolarHBondContact O-N 3.46Å; F58-D61 PolarHBondContact O-N 3.11Å; F58-D62 WeakPolarHBondContact O-CB 3.43Å; F58-D62 PolarHBondContact O-N 3.2Å
59I63.6Low64.9Low89 Ų89108.4 Ų108.446%0.45653%0.527SS..Hα-helixtrans-67.2-37.1177-64.8166.3000111.5V55 K56 S57 K63V55-I59 HydrophobicContact CG1-CD1 3.96Å; V55-I59 WeakPolarHBondContact O-CG1 3.41Å; V55-I59 PolarHBondContact O-N 3.28Å; K56-I59 PolarHBondContact O-N 3.15Å; S57-I59 PolarHBondContact O-N 3.25Å; I59-K63 WeakPolarHBondContact O-CG 3.45Å; I59-K63 PolarHBondContact O-N 2.94Å
60E63.1Low62.1Low106 Ų106112.1 Ų112.150%0.49556%0.562SS.*Hα-helixtrans-70.6-38.1176.2-74.8176.4-176.100112.1K56 S57 K63 R64K56-E60 PolarHBondContact O-N 2.83Å; S57-E60 PolarHBondContact O-N 2.93Å; E60-K63 PolarHBondContact O-N 3.07Å; E60-R64 WeakPolarHBondContact O-CG 3.33Å; E60-R64 PolarHBondContact O-N 3.21Å; E60-R64 VanDerWaalsContact O-N 3.16Å
61D60.3Low59.1Low87 Ų87115.9 Ų115.947%0.46559%0.594SS.*Hα-helixtrans-71.7-36.4176.3-74.6-23000111.8S57 F58 K63 R64 S65S57-D61 WeakPolarHBondContact O-CB 3.32Å; S57-D61 PolarHBondContact O-N 3.5Å; F58-D61 PolarHBondContact O-N 3.11Å; D61-K63 VanDerWaalsContact C-N 3.33Å; D61-K63 PolarHBondContact O-N 3.31Å; D61-R64 CarbonylContact O-C 3.58Å; D61-R64 WeakPolarHBondContact O-CA 3.35Å; D61-R64 WeakPolarHBondContact O-CB 3.3Å; D61-R64 PolarHBondContact O-N 3.01Å; D61-S65 WeakPolarHBondContact O-CB 3.41Å; D61-S65 PolarHBondContact O-N 2.85Å
62D56Low56.1Low87 Ų87117 Ų11747%0.46561%0.611SS.*Hα-helixtrans-65.3-38.4174.7-164.337.5000111.4F58 R64 S65 L66F58-D62 WeakPolarHBondContact O-CB 3.43Å; F58-D62 PolarHBondContact O-N 3.2Å; D62-R64 PolarHBondContact O-N 3.41Å; D62-S65 PolarHBondContact O-N 3.4Å; D62-L66 WeakPolarHBondContact O-CG 3.38Å; D62-L66 PolarHBondContact O-N 3.38Å
63K54.8Low53.2Low148 Ų148119.6 Ų119.664%0.64363%0.629SS**Hα-helixtrans-62.7-27.6170.4-74.6179.3-179.6-176.40113.2I59 E60 D61I59-K63 WeakPolarHBondContact O-CG 3.45Å; I59-K63 PolarHBondContact O-N 2.94Å; E60-K63 PolarHBondContact O-N 3.07Å; D61-K63 VanDerWaalsContact C-N 3.33Å; D61-K63 PolarHBondContact O-N 3.31Å
64R52.3Low50.6Low183 Ų183124.7 Ų124.769%0.69166%0.656SS**Hα-helixtrans-86.9-34.7175-75.1177.5172.9178.5-0.9112.8E60 D61 D62 R67 M68E60-R64 WeakPolarHBondContact O-CG 3.33Å; E60-R64 PolarHBondContact O-N 3.21Å; E60-R64 VanDerWaalsContact O-N 3.16Å; D61-R64 CarbonylContact O-C 3.58Å; D61-R64 WeakPolarHBondContact O-CA 3.35Å; D61-R64 WeakPolarHBondContact O-CB 3.3Å; D61-R64 PolarHBondContact O-N 3.01Å; D62-R64 PolarHBondContact O-N 3.41Å; R64-R67 WeakPolarHBondContact O-CA 3.39Å; R64-R67 WeakPolarHBondContact O-CB 3.2Å; R64-R67 PolarHBondContact O-N 3.02Å; R64-M68 PolarHBondContact O-N 3.16Å
65S47.6Very low48.3Very low69 Ų69120 Ų12048%0.48366%0.66SS.*Hα-helixtrans-66.5-35.9178.2170.40000111.4D61 D62 R67 M68D61-S65 WeakPolarHBondContact O-CB 3.41Å; D61-S65 PolarHBondContact O-N 2.85Å; D62-S65 PolarHBondContact O-N 3.4Å; S65-R67 PolarHBondContact O-N 3.23Å; S65-M68 PolarHBondContact O-N 3.37Å; S65-M68 VanDerWaalsContact O-N 3.13Å
66L48.3Very low46.2Very low140 Ų140125.7 Ų125.773%0.73368%0.682SS**THydrogen-bonded Turntrans-59-5.5166.5-75.7167.7000113.8D62D62-L66 WeakPolarHBondContact O-CG 3.38Å; D62-L66 PolarHBondContact O-N 3.38Å
67R44.4Very low44.3Very low218 Ų218124.5 Ų124.582%0.82370%0.696SS**THydrogen-bonded Turntrans-116.5-14.2173.3-67.6-170.3176.6-157.7-2115.4R64 S65R64-R67 WeakPolarHBondContact O-CA 3.39Å; R64-R67 WeakPolarHBondContact O-CB 3.2Å; R64-R67 PolarHBondContact O-N 3.02Å; S65-R67 PolarHBondContact O-N 3.23Å
68M32.1Very low42.4Very low156 Ų156126.3 Ų126.377%0.76872%0.72SS**SBendtrans-151.9124.4176.9-69.7-58.2-7700111.4R64 S65R64-M68 PolarHBondContact O-N 3.16Å; S65-M68 PolarHBondContact O-N 3.37Å; S65-M68 VanDerWaalsContact O-N 3.13Å
69G33Very low40.6Very low79 Ų79126.8 Ų126.881%0.81472%0.724SS**  trans-67.7131.8-176.900000114.4
70A33.8Very low38.7Very low103 Ų103134.5 Ų134.585%0.85175%0.748SS**  trans19.3112.8149.300000119.9
71S32.4Very low37.3Very low122 Ų122135.7 Ų135.785%0.85375%0.748SS**  trans-143.7108.6137.1600000107.8
72G27.9Very low35.7Very low77 Ų77137.1 Ų137.179%0.79477%0.765SS**  trans-84134.6-178.600000111.5
73E28.8Very low34.5Very low196 Ų196138.5 Ų138.592%0.91678%0.782SS**  trans-128.5120.6157.4-73.3-172.7166.700107.7G75E73-G75 PolarHBondContact O-N 3.08Å
74E27.7Very low33.3Very low196 Ų196135.3 Ų135.392%0.91678%0.778SS**  trans-78.4114.9-169.7-63.1179.2155.800110.2
75G29Very low32.4Very low75 Ų75133 Ų13377%0.77379%0.787SS**  trans-85.8106.7170.100000110.6E73 A77E73-G75 PolarHBondContact O-N 3.08Å; G75-A77 PolarHBondContact O-N 2.85Å; G75-A77 VanDerWaalsContact O-N 3.17Å
76E28.1Very low32.2Very low204 Ų204133.7 Ų133.795%0.95379%0.788SS**  trans-53.4115.3176.8-73.3-176.514800112.4
77A30.3Very low32.2Very low103 Ų103131.7 Ų131.785%0.85178%0.778SS**  trans-103.9130.917300000110.5G75G75-A77 PolarHBondContact O-N 2.85Å; G75-A77 VanDerWaalsContact O-N 3.17Å
78G29.2Very low32.6Very low73 Ų73123.1 Ų123.175%0.75375%0.751SS**  trans98.673.5153.100000116.7R80G78-R80 PolarHBondContact O-N 3.33Å; G78-R80 VanDerWaalsContact O-N 3.1Å
79Q29.5Very low33.6Very low152 Ų152116.8 Ų116.871%0.7172%0.724SS**  trans-67.2105.8157.4-87.4177.28.600109.7Y81Q79-Y81 HydrophobicContact CB-CE2 4.03Å; Q79-Y81 PolarHBondContact O-N 3.23Å; Q79-Y81 PolarHBondContact OE1-OH 3.19Å
80R25.3Very low35.1Very low251 Ų251117.1 Ų117.195%0.94771%0.707SS**  trans-72.5105.4166.5-88.5177.6169.5168.5-2.7108.7G78G78-R80 PolarHBondContact O-N 3.33Å; G78-R80 VanDerWaalsContact O-N 3.1Å
81Y32.9Very low37.1Very low131 Ų131117.3 Ų117.351%0.51469%0.69SS.*  trans-84.5127.4171.9-64.9-72.8000110.8Q79 S83Q79-Y81 HydrophobicContact CB-CE2 4.03Å; Q79-Y81 PolarHBondContact O-N 3.23Å; Q79-Y81 PolarHBondContact OE1-OH 3.19Å; Y81-S83 PolarHBondContact O-N 2.9Å
82S25.9Very low39.5Very low117 Ų117112 Ų11282%0.81865%0.653SS**  trans-62.3117.7174.6167.50000111.1S84S82-S84 PolarHBondContact O-N 2.95Å
83S31.1Very low42.2Very low116 Ų116110.1 Ų110.181%0.81162%0.622SS**  trans-76.5102.2170.853.30000110Y81Y81-S83 PolarHBondContact O-N 2.9Å
84S29.9Very low45.2Very low81 Ų81101.5 Ų101.557%0.56658%0.583SS**  trans-63.7147159.947.70000109.7S82 V86S82-S84 PolarHBondContact O-N 2.95Å; S84-V86 PolarHBondContact O-N 3.21Å
85P34.2Very low48.3Very low134 Ų13492.2 Ų92.287%0.8754%0.539SS*.  trans-69.8105.6-176.228.7-31.1000109.2
86V42.5Very low51.6Low84 Ų8488.6 Ų88.651%0.50950%0.503SS..  trans-87.4135.1176.4179.10000108S84 S88 D90 E91S84-V86 PolarHBondContact O-N 3.21Å; V86-S88 PolarHBondContact O-N 2.75Å; V86-D90 HydrophobicContact CG1-CB 4.38Å; V86-E91 HydrophobicContact CG1-CG 4.36Å
87N48Very low54.8Low97 Ų9781.1 Ų81.152%0.51947%0.468SS..  trans-53.1125176.6-70.8-37.4000110.9A89 D90 E91N87-A89 PolarHBondContact O-N 2.64Å; N87-A89 VanDerWaalsContact O-N 3.1Å; N87-D90 WeakPolarHBondContact O-CB 3.34Å; N87-D90 PolarHBondContact O-N 2.85Å; N87-E91 PolarHBondContact O-N 3.47Å
88S52.5Low57.8Low39 Ų3979.9 Ų79.927%0.27345%0.451SS..Hα-helixtrans-57.5-28.1-176.5600000114.2V86 E91 V92V86-S88 PolarHBondContact O-N 2.75Å; S88-E91 WeakPolarHBondContact O-CB 3.24Å; S88-E91 PolarHBondContact O-N 3.31Å; S88-V92 PolarHBondContact O-N 3.5Å
89A53.9Low61Low23 Ų2379.5 Ų79.519%0.1943%0.432CS..Hα-helixtrans-66.8-37.1175.200000112.7N87 E91 V92 L382N87-A89 PolarHBondContact O-N 2.64Å; N87-A89 VanDerWaalsContact O-N 3.1Å; A89-E91 VanDerWaalsContact C-N 3.25Å; A89-E91 PolarHBondContact O-N 3.4Å; A89-V92 PolarHBondContact O-N 3.1Å; A89-L382 HydrophobicContact CB-CD1 4.27Å
90D64.9Low64.2Low86 Ų8673.4 Ų73.446%0.4641%0.405SS..Hα-helixtrans-68.8-28.9176.1-69.3-33.4000111V86 N87 V92 S94V86-D90 HydrophobicContact CG1-CB 4.38Å; N87-D90 WeakPolarHBondContact O-CB 3.34Å; N87-D90 PolarHBondContact O-N 2.85Å; D90-V92 PolarHBondContact O-N 3.31Å; D90-S94 VanDerWaalsContact O-CB 3.3Å; D90-S94 WeakPolarHBondContact O-CB 3.47Å; D90-S94 PolarHBondContact O-N 3.36Å; D90-S94 VanDerWaalsContact O-N 3.1Å; D90-S94 PolarHBondContact O-OG 2.88Å
91E76Confident67.6Low107 Ų10762.4 Ų62.450%0.537%0.365SS..Hα-helixtrans-67.2-33.5177.5-65-158.4142.300113.5K40 V86 N87 S88 A89K40-E91 PolarHBondContact NZ-O 3.04Å; V86-E91 HydrophobicContact CG1-CG 4.36Å; N87-E91 PolarHBondContact O-N 3.47Å; S88-E91 WeakPolarHBondContact O-CB 3.24Å; S88-E91 PolarHBondContact O-N 3.31Å; A89-E91 VanDerWaalsContact C-N 3.25Å; A89-E91 PolarHBondContact O-N 3.4Å
92V82Confident70.7Confident10 Ų1056.6 Ų56.66%0.06134%0.344CS..Hα-helixtrans-64.5-42.4-179.5175.20000111S88 A89 D90 A358 R359 L362 L382S88-V92 PolarHBondContact O-N 3.5Å; A89-V92 PolarHBondContact O-N 3.1Å; D90-V92 PolarHBondContact O-N 3.31Å; V92-A358 HydrophobicContact CG1-CB 4.3Å; V92-R359 HydrophobicContact CG1-CB 3.91Å; V92-L362 HydrophobicContact CG2-CD1 4.11Å; V92-L382 HydrophobicContact CB-CD2 4.46Å; V92-L382 HydrophobicContact CG1-CD2 4.05Å; V92-L382 HydrophobicContact CG2-CD2 4.49Å
93W85.2Confident74.1Confident38 Ų3853 Ų5314%0.14432%0.318CS..Hα-helixtrans-86-18.4-177.3-64.2101000113.6V2 P95 I355 V385 I387 L409V2-W93 HydrophobicContact CB-CB 4.06Å; V2-W93 HydrophobicContact CG1-CB 4.22Å; W93-P95 WeakPolarHBondContact O-CD 3.42Å; W93-I355 HydrophobicContact CD2-CG2 4.27Å; W93-I355 HydrophobicContact CE3-CG2 3.63Å; W93-I355 HydrophobicContact CH2-CG2 4.48Å; W93-I355 HydrophobicContact CZ3-CG2 3.76Å; W93-V385 HydrophobicContact CH2-CG1 3.91Å; W93-V385 HydrophobicContact CZ2-CB 4.44Å; W93-V385 HydrophobicContact CZ2-CG1 3.76Å; W93-I387 HydrophobicContact CH2-CD1 3.92Å; W93-I387 HydrophobicContact CH2-CG1 3.77Å; W93-I387 HydrophobicContact CZ3-CD1 3.81Å; W93-I387 HydrophobicContact CZ3-CG1 4.02Å; W93-L409 HydrophobicContact CE3-CD1 4.06Å
94S91.5Very high77.3Confident15 Ų1547.4 Ų47.411%0.10528%0.28CS..  trans-73.9107.6176.8-71.60000111.7V2 K40 D90V2-S94 PolarHBondContact O-OG 3.41Å; K40-S94 WeakPolarHBondContact CD-O 3.48Å; K40-S94 WeakPolarHBondContact CE-O 3.44Å; K40-S94 PolarHBondContact NZ-O 3.24Å; D90-S94 VanDerWaalsContact O-CB 3.3Å; D90-S94 WeakPolarHBondContact O-CB 3.47Å; D90-S94 PolarHBondContact O-N 3.36Å; D90-S94 VanDerWaalsContact O-N 3.1Å; D90-S94 PolarHBondContact O-OG 2.88Å
95P93.3Very high80.5Confident0 Ų051.8 Ų51.80%028%0.284CS..  trans-82-27-170.730.8-33.1000114.4L39 K40 W93 I351 Q354 L395 V407L39-P95 WeakPolarHBondContact CA-O 3.48Å; L39-P95 HydrophobicContact CD2-CB 3.97Å; K40-P95 PolarHBondContact N-O 3.24Å; W93-P95 WeakPolarHBondContact O-CD 3.42Å; P95-I351 HydrophobicContact CB-CG2 3.52Å; P95-I351 HydrophobicContact CG-CG2 4.23Å; P95-Q354 PolarHBondContact O-NE2 3.18Å; P95-L395 HydrophobicContact CB-CD1 4.35Å; P95-L395 HydrophobicContact CG-CD1 3.63Å; P95-V407 HydrophobicContact CG-CG1 3.93Å
96F96.4Very high83.5Confident0 Ų047.2 Ų47.20%026%0.261CS..BIsolated β-bridgetrans-92.6158.7-179.8-65.9-86.7000111.7Q3 L5 F18 L25 W37 V38 L39 K40 V397 V407Q3-F96 PolarHBondContact NE2-O 3.12Å; Q3-F96 PolarHBondContact OE1-O 3.28Å; L5-F96 HydrophobicContact CD1-CB 4.29Å; L5-F96 HydrophobicContact CD1-CD2 4.11Å; L5-F96 HydrophobicContact CD1-CG 4.23Å; L5-F96 HydrophobicContact CD2-CB 4.25Å; F18-F96 HydrophobicContact CE1-CE1 4.32Å; F18-F96 AromaticContact CE1-CZ 3.72Å; F18-F96 HydrophobicContact CE1-CZ 3.72Å; F18-F96 AromaticContact CZ-CZ 3.9Å; F18-F96 HydrophobicContact CZ-CZ 3.9Å; L25-F96 HydrophobicContact CB-CE1 3.99Å; L25-F96 HydrophobicContact CB-CZ 4.21Å; L25-F96 HydrophobicContact CD2-CZ 4.36Å; W37-F96 HydrophobicContact CB-CD1 3.84Å; W37-F96 HydrophobicContact CB-CE1 4.22Å; V38-F96 CarbonylContact O-C 3.57Å; V38-F96 WeakPolarHBondContact O-CA 3.22Å; L39-F96 HydrophobicContact CD2-CD1 3.92Å; L39-F96 HydrophobicContact CD2-CD2 4.42Å; L39-F96 HydrophobicContact CD2-CE1 3.8Å; L39-F96 HydrophobicContact CD2-CE2 4.31Å; L39-F96 HydrophobicContact CD2-CG 4.24Å; L39-F96 HydrophobicContact CD2-CZ 4Å; L39-F96 HydrophobicContact CG-CE1 4.41Å; K40-F96 WeakPolarHBondContact CE-O 3.38Å; F96-V397 HydrophobicContact CE2-CG2 4.37Å; F96-V407 HydrophobicContact CD2-CG2 4.04Å; F96-V407 HydrophobicContact CE2-CG1 4.42Å; F96-V407 HydrophobicContact CE2-CG2 4.17Å
97M96.1Very high86.2Confident47 Ų4743.9 Ų43.923%0.23224%0.24CC..  trans-60145.9161.3-64.7-63.2-65.400109.8V38 K40 F43 N99V38-M97 HydrophobicContact CG1-CB 4.24Å; V38-M97 HydrophobicContact CG1-CG 3.77Å; V38-M97 PolarHBondContact O-N 2.87Å; K40-M97 HydrophobicContact CB-SD 4.22Å; K40-M97 HydrophobicContact CG-SD 3.89Å; F43-M97 HydrophobicContact CB-CG 3.9Å; F43-M97 HydrophobicContact CB-SD 3.9Å; F43-M97 HydrophobicContact CD1-CE 4.06Å; F43-M97 HydrophobicContact CD1-SD 4.38Å; F43-M97 HydrophobicContact CD2-CE 4.07Å; F43-M97 HydrophobicContact CD2-CG 3.64Å; F43-M97 HydrophobicContact CD2-SD 4.18Å; F43-M97 HydrophobicContact CE1-CE 4.21Å; F43-M97 HydrophobicContact CE2-CE 4.21Å; F43-M97 HydrophobicContact CE2-CG 4.39Å; F43-M97 HydrophobicContact CG-CE 3.99Å; F43-M97 HydrophobicContact CG-CG 3.9Å; F43-M97 HydrophobicContact CG-SD 3.9Å; F43-M97 HydrophobicContact CZ-CE 4.28Å; M97-N99 PolarHBondContact O-N 2.95Å
98P93.4Very high88.6Confident76 Ų7644 Ų4449%0.49425%0.248SC..SBendtrans-66.1-28.5-179.326.7-34.6000112.5F8F8-P98 WeakPolarHBondContact CE2-O 3.45Å
99N95.4Very high90.8Very high65 Ų6543.8 Ų43.835%0.34825%0.247SC..SBendtrans-107.5148.3179-59-10.9000110.1F8 M97F8-N99 HydrophobicContact CZ-CB 4.21Å; F8-N99 WeakPolarHBondContact CZ-OD1 3.43Å; M97-N99 PolarHBondContact O-N 2.95Å
100P97.5Very high92.9Very high24 Ų2444 Ų4416%0.15625%0.245CC..  trans-54.4141.5169.2-22.831.6000111.6F8 R35 I36 W37 C102F8-P100 HydrophobicContact CB-CG 4.48Å; F8-P100 HydrophobicContact CD1-CG 3.81Å; F8-P100 HydrophobicContact CE1-CG 4.14Å; F8-P100 HydrophobicContact CG-CG 4.01Å; R35-P100 HydrophobicContact CB-CB 4.35Å; R35-P100 HydrophobicContact CB-CG 4.38Å; R35-P100 HydrophobicContact CG-CG 4.34Å; I36-P100 CarbonylContact O-C 3.56Å; I36-P100 WeakPolarHBondContact O-CA 3.34Å; W37-P100 HydrophobicContact CD2-CG 4.49Å; W37-P100 HydrophobicContact CE3-CB 4.49Å; W37-P100 HydrophobicContact CE3-CG 4.06Å; W37-P100 HydrophobicContact CH2-CG 3.8Å; W37-P100 HydrophobicContact CZ2-CG 4.21Å; W37-P100 HydrophobicContact CZ3-CG 3.71Å; P100-C102 VanDerWaalsContact C-N 3.3Å
101L97.2Very high94.5Very high20 Ų2039.9 Ų39.911%0.10522%0.223CC..SBendtrans-61.7-41.4170.4176.562.3000111.1L24 I36 V38 F43 F46 I136L24-L101 HydrophobicContact CD2-CD2 3.95Å; I36-L101 WeakPolarHBondContact O-CB 3.25Å; I36-L101 PolarHBondContact O-N 3.29Å; V38-L101 HydrophobicContact CB-CB 4.14Å; V38-L101 HydrophobicContact CB-CD2 4.19Å; V38-L101 HydrophobicContact CG1-CB 3.79Å; V38-L101 HydrophobicContact CG1-CD1 4.33Å; V38-L101 HydrophobicContact CG1-CD2 4.4Å; V38-L101 HydrophobicContact CG1-CG 4.39Å; V38-L101 HydrophobicContact CG2-CD2 4.48Å; F43-L101 HydrophobicContact CD2-CD1 4.24Å; F43-L101 HydrophobicContact CE2-CD1 4.09Å; F46-L101 HydrophobicContact CB-CD2 3.69Å; F46-L101 HydrophobicContact CG-CD2 4.41Å; L101-I136 HydrophobicContact CD2-CD1 3.95Å; L101-I136 HydrophobicContact CD2-CG1 4.12Å
102C97Very high95.6Very high9 Ų936 Ų366%0.06121%0.206CC..EExtended strand (participates in β ladder)trans-160.7164.8174.364.70000111.7I36 R50 P100 L139I36-C102 PolarHBondContact N-O 3.42Å; R50-C102 VanDerWaalsContact CZ-CB 3.44Å; R50-C102 VanDerWaalsContact NH1-CB 3.33Å; R50-C102 PolarHBondContact NH1-SG 3.02Å; R50-C102 VanDerWaalsContact NH1-SG 3.38Å; P100-C102 VanDerWaalsContact C-N 3.3Å; C102-L139 HydrophobicContact CB-CD2 3.88Å
103S97.8Very high96.4Very high41 Ų4135.8 Ų35.829%0.28720%0.204SC..EExtended strand (participates in β ladder)trans-130.1125.5176.5-56.90000109.4I34I34-S103 CarbonylContact O-C 3.55Å; I34-S103 VanDerWaalsContact O-CA 3.3Å; I34-S103 WeakPolarHBondContact O-CA 3.23Å
104F98.5Very high97Very high0 Ų034 Ų340%020%0.197CC..EExtended strand (participates in β ladder)trans-91.8124.3173.4-56.2-49.7000109.6I34 I36 W134 R138 L139I34-F104 HydrophobicContact CB-CB 4.23Å; I34-F104 HydrophobicContact CB-CD2 4.17Å; I34-F104 HydrophobicContact CD1-CB 4.2Å; I34-F104 HydrophobicContact CG2-CD2 4.21Å; I34-F104 PolarHBondContact N-O 2.97Å; I34-F104 VanDerWaalsContact N-O 3.11Å; I34-F104 PolarHBondContact O-N 3.3Å; I36-F104 HydrophobicContact CD1-CD2 4.49Å; I36-F104 HydrophobicContact CD1-CE2 3.98Å; I36-F104 HydrophobicContact CG1-CD2 4.43Å; I36-F104 HydrophobicContact CG1-CE2 3.79Å; I36-F104 HydrophobicContact CG1-CZ 4.3Å; F104-W134 HydrophobicContact CB-CD2 3.72Å; F104-W134 HydrophobicContact CB-CE3 3.61Å; F104-W134 HydrophobicContact CB-CG 4.26Å; F104-W134 HydrophobicContact CB-CH2 4.21Å; F104-W134 HydrophobicContact CB-CZ2 4.32Å; F104-W134 HydrophobicContact CB-CZ3 3.86Å; F104-W134 HydrophobicContact CD1-CB 4.28Å; F104-W134 HydrophobicContact CD1-CD2 4.38Å; F104-W134 AromaticContact CD1-CE3 3.98Å; F104-W134 HydrophobicContact CD1-CE3 3.98Å; F104-W134 HydrophobicContact CD2-CB 3.71Å; F104-W134 HydrophobicContact CD2-CD2 4.15Å; F104-W134 AromaticContact CD2-CG 3.77Å; F104-W134 HydrophobicContact CD2-CG 3.77Å; F104-W134 HydrophobicContact CE1-CB 4.28Å; F104-W134 HydrophobicContact CE2-CB 3.68Å; F104-W134 HydrophobicContact CE2-CG 4.24Å; F104-W134 HydrophobicContact CG-CB 4.03Å; F104-W134 AromaticContact CG-CD2 3.83Å; F104-W134 HydrophobicContact CG-CD2 3.83Å; F104-W134 AromaticContact CG-CE3 3.81Å; F104-W134 HydrophobicContact CG-CE3 3.81Å; F104-W134 AromaticContact CG-CG 3.93Å; F104-W134 HydrophobicContact CG-CG 3.93Å; F104-W134 HydrophobicContact CG-CZ3 4.5Å; F104-W134 HydrophobicContact CZ-CB 3.98Å; F104-R138 WeakPolarHBondContact CE1-O 3.4Å; F104-L139 HydrophobicContact CD1-CD2 4.44Å; F104-L139 HydrophobicContact CE1-CD2 4.41Å
105R98Very high97.3Very high173 Ų17334.1 Ų34.165%0.65320%0.198SC*.  trans-116.6141.1178.5-64.8-177177.2-88.11.8109.2V33 W134V33-R105 HydrophobicContact CG1-CG 4.33Å; V33-R105 HydrophobicContact CG2-CG 4.14Å; R105-W134 WeakPolarHBondContact O-CH2 3.4Å
106G97.1Very high97.6Very high38 Ų3834.7 Ų34.739%0.39220%0.2SC..  trans157.8-27.6170.800000114.2R132G106-R132 PolarHBondContact O-NH1 3.08Å; G106-R132 PolarHBondContact O-NH2 2.93Å
107H98.5Very high97.6Very high13 Ų1334.8 Ų34.86%0.0620%0.201CC..  trans-60.4142.6169.8-80.3-66.8000109.9V111 S124 S126 D128 T130 R132H107-V111 HydrophobicContact CB-CG2 4.13Å; H107-S124 PolarHBondContact CD2-OG 3.31Å; H107-S124 PolarHBondContact NE2-OG 2.99Å; H107-S126 VanDerWaalsContact CE1-CB 3.44Å; H107-S126 WeakPolarHBondContact CE1-CB 3.37Å; H107-S126 WeakPolarHBondContact ND1-CB 3.46Å; H107-D128 WeakPolarHBondContact CA-OD2 3.34Å; H107-D128 IonicContact CE1-OD1 3.41Å; H107-D128 IonicContact CE1-OD2 3.75Å; H107-D128 IonicContact CG-OD2 3.87Å; H107-D128 IonicContact ND1-OD1 2.63Å; H107-D128 PolarHBondContact ND1-OD1 3.49Å; H107-D128 VanDerWaalsContact ND1-OD1 3.13Å; H107-D128 IonicContact ND1-OD2 2.92Å; H107-D128 PolarHBondContact ND1-OD2 3Å; H107-T130 PolarHBondContact CE1-OG1 3Å; H107-T130 VanDerWaalsContact CE1-OG1 3.22Å; H107-T130 PolarHBondContact ND1-OG1 2.74Å; H107-R132 PolarHBondContact ND1-NE 2.99Å
108S98.3Very high97.5Very high99 Ų9937.6 Ų37.669%0.69221%0.212SC*.SBendtrans-102.68.2-179.262.90000113.3D128S108-D128 PolarHBondContact N-OD2 3.49Å; S108-D128 VanDerWaalsContact OG-CB 3.32Å; S108-D128 WeakPolarHBondContact OG-CB 3.4Å
109S98.5Very high97.5Very high36 Ų3638.6 Ų38.625%0.25221%0.213SC..SBendtrans-159170178.8-155.80000109.3S32 V111 S126 M127S32-S109 WeakPolarHBondContact CB-O 3.43Å; S32-S109 WeakPolarHBondContact OG-CA 3.46Å; S32-S109 PolarHBondContact OG-N 3.01Å; S32-S109 PolarHBondContact OG-O 3.43Å; S32-S109 VanDerWaalsContact OG-O 3.12Å; S109-V111 PolarHBondContact O-N 3.08Å; S109-S126 PolarHBondContact O-OG 2.71Å; S109-M127 WeakPolarHBondContact OG-CB 3.36Å
110D98.6Very high97.5Very high26 Ų2638.1 Ų38.114%0.13921%0.207CC..  trans-36131.8178-65.245.9000114.5W14 L112 S126 M127W14-D110 PolarHBondContact NE1-OD2 2.83Å; D110-L112 HydrophobicContact CB-CD2 4.33Å; D110-S126 CarbonylContact O-C 3.56Å; D110-S126 WeakPolarHBondContact O-CA 3.22Å; D110-S126 VanDerWaalsContact O-CB 3.25Å; D110-S126 WeakPolarHBondContact O-CB 3.29Å; D110-S126 PolarHBondContact O-OG 3.38Å; D110-M127 HydrophobicContact CB-CE 3.61Å; D110-M127 HydrophobicContact CB-CG 4.04Å; D110-M127 HydrophobicContact CB-SD 3.92Å; D110-M127 PolarHBondContact O-N 3.4Å
111V98.8Very high97.5Very high0 Ų040.3 Ų40.30%021%0.214CC..EExtended strand (participates in β ladder)trans-91.1117.9170.1179.40000108.5A28 G29 I34 H107 S109 V114 S125A28-V111 HydrophobicContact CB-CB 3.67Å; A28-V111 HydrophobicContact CB-CG1 3.42Å; A28-V111 VanDerWaalsContact CB-CG1 3.42Å; A28-V111 HydrophobicContact CB-CG2 4.43Å; G29-V111 PolarHBondContact O-N 3.12Å; I34-V111 HydrophobicContact CD1-CG2 4.23Å; I34-V111 HydrophobicContact CG1-CG1 4.23Å; I34-V111 HydrophobicContact CG1-CG2 4.38Å; H107-V111 HydrophobicContact CB-CG2 4.13Å; S109-V111 PolarHBondContact O-N 3.08Å; V111-V114 HydrophobicContact CG1-CG1 4.03Å; V111-S125 CarbonylContact C-O 3.59Å; V111-S125 WeakPolarHBondContact CA-O 3.16Å; V111-S125 WeakPolarHBondContact CG1-O 3.3Å
112L98.5Very high97.6Very high27 Ų2739.4 Ų39.414%0.14121%0.209CC..EExtended strand (participates in β ladder)trans-94.5-27.9-170.5-62.5-179.2000113.5D110 S125 M127 T152D110-L112 HydrophobicContact CB-CD2 4.33Å; L112-S125 PolarHBondContact N-O 3.05Å; L112-M127 HydrophobicContact CD1-CG 3.89Å; L112-M127 HydrophobicContact CD2-CE 3.68Å; L112-M127 HydrophobicContact CD2-CG 4.21Å; L112-M127 HydrophobicContact CG-CG 4.17Å; L112-T152 HydrophobicContact CD1-CG2 4.46Å
113D98.6Very high97.7Very high5 Ų539 Ų393%0.02721%0.206CC..EExtended strand (participates in β ladder)trans-151.1152.4179.2-149-2.6000111.8C15 S124 S125 S153 I154 R289C15-D113 VanDerWaalsContact SG-CA 3.56Å; D113-S124 WeakPolarHBondContact O-CA 3.14Å; D113-S125 WeakPolarHBondContact CB-OG 3.47Å; D113-S125 PolarHBondContact N-OG 2.95Å; D113-S125 PolarHBondContact O-N 3.49Å; D113-S153 WeakPolarHBondContact OD2-CA 3.1Å; D113-S153 PolarHBondContact OD2-OG 2.97Å; D113-S153 VanDerWaalsContact OD2-OG 3.05Å; D113-I154 HydrophobicContact CB-CG1 3.94Å; D113-R289 IonicContact OD1-CZ 3.25Å; D113-R289 IonicContact OD1-NH1 3.05Å; D113-R289 PolarHBondContact OD1-NH1 2.86Å; D113-R289 IonicContact OD1-NH2 3.79Å; D113-R289 IonicContact OD2-CZ 2.86Å; D113-R289 IonicContact OD2-NH1 3.9Å; D113-R289 PolarHBondContact OD2-NH1 3.43Å; D113-R289 IonicContact OD2-NH2 2.66Å; D113-R289 PolarHBondContact OD2-NH2 3.31Å
114V98.6Very high97.7Very high0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-136.8136.7175.1-67.40000110.7C15 N17 A26 A28 I34 V111 L123C15-V114 HydrophobicContact CB-CG2 4.33Å; N17-V114 HydrophobicContact CB-CG2 3.93Å; N17-V114 WeakPolarHBondContact CB-O 3.44Å; N17-V114 PolarHBondContact ND2-O 3.47Å; A26-V114 HydrophobicContact CB-CB 4.47Å; A26-V114 HydrophobicContact CB-CG2 4.07Å; A28-V114 HydrophobicContact CB-CG1 3.77Å; I34-V114 HydrophobicContact CG1-CG1 4.27Å; I34-V114 HydrophobicContact CG2-CG1 4.23Å; V111-V114 HydrophobicContact CG1-CG1 4.03Å; V114-L123 VanDerWaalsContact CA-O 3.3Å; V114-L123 WeakPolarHBondContact CA-O 3.07Å
115C98.2Very high97.7Very high17 Ų1737 Ų3712%0.11519%0.192CC..EExtended strand (participates in β ladder)trans-135.2136.2-178.6-1670000110.9V122 L123 I154 F156C115-V122 WeakPolarHBondContact O-CA 3.15Å; C115-L123 PolarHBondContact N-O 3.16Å; C115-L123 PolarHBondContact O-N 3.2Å; C115-I154 HydrophobicContact CB-CD1 4.26Å; C115-I154 HydrophobicContact CB-CG1 4.47Å; C115-F156 HydrophobicContact CB-CD2 4.2Å; C115-F156 PolarHBondContact SG-N 2.85Å; C115-F156 VanDerWaalsContact SG-N 3.36Å
116W98.3Very high97.8Very high12 Ų1228.8 Ų28.85%0.04516%0.161CC..EExtended strand (participates in β ladder)trans-93.9144.1175.4-72.393.8000111N17 F18 L24 A26 I36 V122 I136 F156N17-W116 PolarHBondContact O-NE1 3.5Å; F18-W116 VanDerWaalsContact O-CD1 3.24Å; L24-W116 HydrophobicContact CB-CH2 3.9Å; L24-W116 HydrophobicContact CB-CZ2 3.91Å; L24-W116 HydrophobicContact CD1-CH2 3.78Å; L24-W116 HydrophobicContact CD1-CZ3 4.03Å; L24-W116 HydrophobicContact CG-CH2 4.48Å; A26-W116 HydrophobicContact CB-CZ2 3.79Å; I36-W116 HydrophobicContact CD1-CH2 3.97Å; I36-W116 HydrophobicContact CD1-CZ2 3.82Å; I36-W116 HydrophobicContact CG2-CH2 3.95Å; I36-W116 HydrophobicContact CG2-CZ2 4.11Å; W116-V122 HydrophobicContact CD2-CG2 3.84Å; W116-V122 HydrophobicContact CE3-CG2 3.48Å; W116-V122 VanDerWaalsContact CE3-CG2 3.48Å; W116-V122 HydrophobicContact CH2-CG2 3.61Å; W116-V122 HydrophobicContact CZ2-CG2 3.98Å; W116-V122 HydrophobicContact CZ3-CG2 3.35Å; W116-I136 HydrophobicContact CH2-CD1 4.44Å; W116-F156 WeakPolarHBondContact O-CD2 3.39Å
117S97Very high97.9Very high3 Ų329.4 Ų29.42%0.02116%0.155CC..  trans-89.1171.3160.267.30000110.7N119 Y120 F121S117-N119 PolarHBondContact O-N 3.2Å; S117-N119 PolarHBondContact OG-N 3.3Å; S117-Y120 PolarHBondContact OG-N 2.83Å; S117-F121 PolarHBondContact N-O 3.16Å; S117-F121 WeakPolarHBondContact OG-CA 3.24Å; S117-F121 VanDerWaalsContact OG-CB 3.23Å; S117-F121 WeakPolarHBondContact OG-CB 3.36Å; S117-F121 PolarHBondContact OG-N 2.93Å; S117-F121 PolarHBondContact OG-O 2.92Å; S117-F121 VanDerWaalsContact OG-O 3.09Å
118K94Very high97.9Very high105 Ų10529.6 Ų29.646%0.45716%0.156SC..THydrogen-bonded Turntrans-67.4-24.4174.3-62.2165.1-175.1170.30112.3D20 V158 D161D20-K118 WeakPolarHBondContact OD2-CG 3.35Å; K118-V158 PolarHBondContact NZ-O 3.48Å; K118-D161 WeakPolarHBondContact CB-OD2 2.92Å; K118-D161 PolarHBondContact N-OD2 2.89Å; K118-D161 VanDerWaalsContact N-OD2 3.1Å
119N93Very high97.9Very high97 Ų9730.8 Ų30.852%0.51915%0.146SC..THydrogen-bonded Turntrans-106.331.8-175.8-63.3-70.4000113.4S117 F121 H135 D161S117-N119 PolarHBondContact O-N 3.2Å; S117-N119 PolarHBondContact OG-N 3.3Å; N119-F121 HydrophobicContact CB-CD2 4.21Å; N119-F121 HydrophobicContact CB-CE2 4.31Å; N119-F121 PolarHBondContact O-N 2.87Å; N119-H135 PolarHBondContact O-CD2 3.08Å; N119-H135 PolarHBondContact O-NE2 3.44Å; N119-D161 PolarHBondContact N-OD2 2.83Å; N119-D161 PolarHBondContact ND2-OD2 3.22Å
120Y96.3Very high97.9Very high56 Ų5629.1 Ų29.122%0.2213%0.134CC..SBendtrans61.315174.3-46.7-59.2000116.6L24 F46 M49 S117 I136L24-Y120 HydrophobicContact CD1-CD1 4.1Å; L24-Y120 HydrophobicContact CD1-CE1 4.48Å; F46-Y120 HydrophobicContact CE1-CD1 4.33Å; F46-Y120 HydrophobicContact CE1-CE1 4.01Å; F46-Y120 HydrophobicContact CE1-CE2 4.17Å; F46-Y120 AromaticContact CE1-CZ 3.92Å; F46-Y120 HydrophobicContact CZ-CE1 4.1Å; M49-Y120 HydrophobicContact CE-CD2 4.3Å; M49-Y120 HydrophobicContact CE-CE2 4.08Å; M49-Y120 HydrophobicContact SD-CD2 4.46Å; S117-Y120 PolarHBondContact OG-N 2.83Å; Y120-I136 HydrophobicContact CD2-CG2 4.45Å; Y120-I136 HydrophobicContact CG-CG2 4.11Å; Y120-I136 PolarHBondContact O-N 2.83Å; Y120-I136 VanDerWaalsContact O-N 3.16Å
121F97.6Very high97.9Very high70 Ų7027.9 Ų27.931%0.30713%0.127SC..EExtended strand (participates in β ladder)trans-70.4145.2157.6-62.2-89.6000110.3S117 N119 L133 W134 H135 L142 F156S117-F121 PolarHBondContact N-O 3.16Å; S117-F121 WeakPolarHBondContact OG-CA 3.24Å; S117-F121 VanDerWaalsContact OG-CB 3.23Å; S117-F121 WeakPolarHBondContact OG-CB 3.36Å; S117-F121 PolarHBondContact OG-N 2.93Å; S117-F121 PolarHBondContact OG-O 2.92Å; S117-F121 VanDerWaalsContact OG-O 3.09Å; N119-F121 HydrophobicContact CB-CD2 4.21Å; N119-F121 HydrophobicContact CB-CE2 4.31Å; N119-F121 PolarHBondContact O-N 2.87Å; F121-L133 HydrophobicContact CB-CD1 3.91Å; F121-L133 HydrophobicContact CD1-CD1 4.08Å; F121-L133 HydrophobicContact CD1-CD2 4.11Å; F121-L133 HydrophobicContact CD1-CG 4.1Å; F121-L133 HydrophobicContact CE1-CD2 4.5Å; F121-L133 HydrophobicContact CG-CD1 4.35Å; F121-W134 CarbonylContact C-O 3.59Å; F121-W134 VanDerWaalsContact CA-O 3.22Å; F121-W134 WeakPolarHBondContact CA-O 3.3Å; F121-H135 HydrophobicContact CD1-CB 3.83Å; F121-H135 AromaticContact CD1-CD2 3.75Å; F121-H135 AromaticContact CD2-CD2 3.87Å; F121-H135 HydrophobicContact CE1-CB 3.94Å; F121-H135 AromaticContact CE1-CD2 3.73Å; F121-H135 AromaticContact CE2-CD2 3.84Å; F121-H135 AromaticContact CG-CD2 3.82Å; F121-H135 AromaticContact CZ-CD2 3.77Å; F121-L142 HydrophobicContact CD1-CD1 3.96Å; F121-L142 HydrophobicContact CE1-CD1 3.68Å; F121-F156 HydrophobicContact CB-CZ 4.05Å
122V98.6Very high97.9Very high0 Ų028.9 Ų28.90%013%0.131CC..EExtended strand (participates in β ladder)trans-122.2129.6175.7-178.20000107.8I36 C115 W116 W134I36-V122 HydrophobicContact CD1-CG2 4.44Å; C115-V122 WeakPolarHBondContact O-CA 3.15Å; W116-V122 HydrophobicContact CD2-CG2 3.84Å; W116-V122 HydrophobicContact CE3-CG2 3.48Å; W116-V122 VanDerWaalsContact CE3-CG2 3.48Å; W116-V122 HydrophobicContact CH2-CG2 3.61Å; W116-V122 HydrophobicContact CZ2-CG2 3.98Å; W116-V122 HydrophobicContact CZ3-CG2 3.35Å; V122-W134 HydrophobicContact CB-CB 4.34Å; V122-W134 PolarHBondContact N-O 2.87Å; V122-W134 PolarHBondContact O-N 2.88Å
123L98.7Very high97.9Very high0 Ų028 Ų280%013%0.126CC..EExtended strand (participates in β ladder)trans-97.7141.4164.6-72.2166.7000109V114 C115 V131 R132 L133 F145 I154 F156 F164V114-L123 VanDerWaalsContact CA-O 3.3Å; V114-L123 WeakPolarHBondContact CA-O 3.07Å; C115-L123 PolarHBondContact N-O 3.16Å; C115-L123 PolarHBondContact O-N 3.2Å; L123-V131 HydrophobicContact CB-CG1 4.31Å; L123-V131 HydrophobicContact CD2-CG1 3.76Å; L123-R132 VanDerWaalsContact CA-O 3.31Å; L123-R132 WeakPolarHBondContact CA-O 3.2Å; L123-L133 HydrophobicContact CD2-CB 4.2Å; L123-L133 HydrophobicContact CD2-CD1 3.67Å; L123-L133 HydrophobicContact CG-CD1 4.1Å; L123-F145 HydrophobicContact CD2-CE2 4.26Å; L123-I154 VanDerWaalsContact C-CD1 3.43Å; L123-I154 HydrophobicContact CB-CD1 3.51Å; L123-I154 WeakPolarHBondContact O-CD1 3.43Å; L123-F156 HydrophobicContact CB-CE2 4Å; L123-F156 HydrophobicContact CB-CZ 4.44Å; L123-F156 HydrophobicContact CD1-CD1 3.98Å; L123-F156 HydrophobicContact CD1-CD2 3.72Å; L123-F156 HydrophobicContact CD1-CE1 3.72Å; L123-F156 HydrophobicContact CD1-CE2 3.45Å; L123-F156 VanDerWaalsContact CD1-CE2 3.45Å; L123-F156 HydrophobicContact CD1-CG 3.99Å; L123-F156 HydrophobicContact CD1-CZ 3.45Å; L123-F156 VanDerWaalsContact CD1-CZ 3.45Å; L123-F156 HydrophobicContact CD2-CZ 4.38Å; L123-F156 HydrophobicContact CG-CD2 4.19Å; L123-F156 HydrophobicContact CG-CE1 4.16Å; L123-F156 HydrophobicContact CG-CE2 3.45Å; L123-F156 VanDerWaalsContact CG-CE2 3.45Å; L123-F156 HydrophobicContact CG-CZ 3.43Å; L123-F156 VanDerWaalsContact CG-CZ 3.43Å; L123-F164 HydrophobicContact CD1-CB 3.42Å; L123-F164 VanDerWaalsContact CD1-CB 3.42Å; L123-F164 HydrophobicContact CD1-CD1 3.85Å; L123-F164 HydrophobicContact CD1-CD2 3.81Å; L123-F164 HydrophobicContact CD1-CG 3.42Å; L123-F164 VanDerWaalsContact CD1-CG 3.42Å; L123-F164 HydrophobicContact CD2-CD1 4.31Å; L123-F164 HydrophobicContact CD2-CE1 4.3Å
124S98.8Very high97.9Very high0 Ų027.7 Ų27.70%013%0.125CC..EExtended strand (participates in β ladder)trans-128.9137170.358.10000110.5H107 D113 V131 R132 W134H107-S124 PolarHBondContact CD2-OG 3.31Å; H107-S124 PolarHBondContact NE2-OG 2.99Å; D113-S124 WeakPolarHBondContact O-CA 3.14Å; S124-V131 CarbonylContact O-C 3.48Å; S124-V131 VanDerWaalsContact O-CA 3.24Å; S124-V131 WeakPolarHBondContact O-CA 3.31Å; S124-V131 WeakPolarHBondContact O-CG1 3.22Å; S124-R132 PolarHBondContact N-O 3.33Å; S124-R132 PolarHBondContact O-N 3.1Å; S124-W134 PolarHBondContact OG-NE1 3.45Å
125S98.8Very high97.8Very high0 Ų028.6 Ų28.60%013%0.129CC..EExtended strand (participates in β ladder)trans-112.5146.9175.977.90000110.7V111 L112 D113 V151V111-S125 CarbonylContact C-O 3.59Å; V111-S125 WeakPolarHBondContact CA-O 3.16Å; V111-S125 WeakPolarHBondContact CG1-O 3.3Å; L112-S125 PolarHBondContact N-O 3.05Å; D113-S125 WeakPolarHBondContact CB-OG 3.47Å; D113-S125 PolarHBondContact N-OG 2.95Å; D113-S125 PolarHBondContact O-N 3.49Å; S125-V151 VanDerWaalsContact CB-O 3.23Å; S125-V151 WeakPolarHBondContact CB-O 3.45Å; S125-V151 PolarHBondContact OG-O 3.47Å
126S98.8Very high97.7Very high0 Ų027.8 Ų27.80%012%0.123CC..EExtended strand (participates in β ladder)trans-145.1161.3-169.6172.30000114H107 S109 D110 D128 R129 T130 V151H107-S126 VanDerWaalsContact CE1-CB 3.44Å; H107-S126 WeakPolarHBondContact CE1-CB 3.37Å; H107-S126 WeakPolarHBondContact ND1-CB 3.46Å; S109-S126 PolarHBondContact O-OG 2.71Å; D110-S126 CarbonylContact O-C 3.56Å; D110-S126 WeakPolarHBondContact O-CA 3.22Å; D110-S126 VanDerWaalsContact O-CB 3.25Å; D110-S126 WeakPolarHBondContact O-CB 3.29Å; D110-S126 PolarHBondContact O-OG 3.38Å; S126-D128 VanDerWaalsContact CB-OD1 3.27Å; S126-D128 WeakPolarHBondContact CB-OD1 3.2Å; S126-D128 PolarHBondContact O-N 2.69Å; S126-D128 PolarHBondContact OG-N 2.98Å; S126-D128 PolarHBondContact OG-OD1 3.12Å; S126-R129 PolarHBondContact O-N 3.38Å; S126-T130 PolarHBondContact N-O 3.06Å; S126-V151 PolarHBondContact O-N 3.13Å; S126-V151 VanDerWaalsContact O-N 3.14Å
127M98.7Very high97.6Very high51 Ų5127.6 Ų27.625%0.25112%0.123SC..THydrogen-bonded Turntrans-65.4-12.1164.6-64.7-171.9-15500112.8S109 D110 L112 R129 F150S109-M127 WeakPolarHBondContact OG-CB 3.36Å; D110-M127 HydrophobicContact CB-CE 3.61Å; D110-M127 HydrophobicContact CB-CG 4.04Å; D110-M127 HydrophobicContact CB-SD 3.92Å; D110-M127 PolarHBondContact O-N 3.4Å; L112-M127 HydrophobicContact CD1-CG 3.89Å; L112-M127 HydrophobicContact CD2-CE 3.68Å; L112-M127 HydrophobicContact CD2-CG 4.21Å; L112-M127 HydrophobicContact CG-CG 4.17Å; M127-R129 PolarHBondContact O-N 3.09Å; M127-F150 HydrophobicContact CB-CD1 3.96Å; M127-F150 HydrophobicContact CB-CD2 4.29Å; M127-F150 HydrophobicContact CB-CE1 4Å; M127-F150 HydrophobicContact CB-CE2 4.34Å; M127-F150 HydrophobicContact CB-CG 4.11Å; M127-F150 HydrophobicContact CB-CZ 4.2Å; M127-F150 HydrophobicContact CG-CD1 4.48Å; M127-F150 HydrophobicContact CG-CD2 3.95Å; M127-F150 HydrophobicContact CG-CE2 4.13Å; M127-F150 HydrophobicContact CG-CG 4.15Å; M127-F150 HydrophobicContact CG-CZ 4.47Å; M127-F150 WeakPolarHBondContact O-CD1 3.31Å; M127-F150 WeakPolarHBondContact O-CE1 3.47Å; M127-F150 HydrophobicContact SD-CE2 4.21Å
128D98.7Very high97.4Very high17 Ų1731.5 Ų31.59%0.09114%0.138CC..THydrogen-bonded Turntrans-72.97.8171.380.5-5.6000113.7H107 S108 S126 T130 R132H107-D128 WeakPolarHBondContact CA-OD2 3.34Å; H107-D128 IonicContact CE1-OD1 3.41Å; H107-D128 IonicContact CE1-OD2 3.75Å; H107-D128 IonicContact CG-OD2 3.87Å; H107-D128 IonicContact ND1-OD1 2.63Å; H107-D128 PolarHBondContact ND1-OD1 3.49Å; H107-D128 VanDerWaalsContact ND1-OD1 3.13Å; H107-D128 IonicContact ND1-OD2 2.92Å; H107-D128 PolarHBondContact ND1-OD2 3Å; S108-D128 PolarHBondContact N-OD2 3.49Å; S108-D128 VanDerWaalsContact OG-CB 3.32Å; S108-D128 WeakPolarHBondContact OG-CB 3.4Å; S126-D128 VanDerWaalsContact CB-OD1 3.27Å; S126-D128 WeakPolarHBondContact CB-OD1 3.2Å; S126-D128 PolarHBondContact O-N 2.69Å; S126-D128 PolarHBondContact OG-N 2.98Å; S126-D128 PolarHBondContact OG-OD1 3.12Å; D128-T130 VanDerWaalsContact C-N 3.26Å; D128-T130 VanDerWaalsContact CG-OG1 3.25Å; D128-T130 PolarHBondContact O-N 2.88Å; D128-T130 VanDerWaalsContact OD1-CB 3.31Å; D128-T130 WeakPolarHBondContact OD1-CB 3.48Å; D128-T130 PolarHBondContact OD1-N 3.43Å; D128-T130 PolarHBondContact OD1-OG1 3.32Å; D128-T130 PolarHBondContact OD2-OG1 3.39Å; D128-R132 IonicContact OD2-CZ 3.47Å; D128-R132 IonicContact OD2-NE 2.71Å; D128-R132 IonicContact OD2-NH2 3.76Å; D128-R132 PolarHBondContact OD2-NH2 2.99Å
129R98.8Very high97.4Very high125 Ų12531.2 Ų31.247%0.47214%0.141SC..SBendtrans65.527.4179.2-45.4177.2-175.6156.93.7112.9S126 M127 Q146 H147 D149 F150S126-R129 PolarHBondContact O-N 3.38Å; M127-R129 PolarHBondContact O-N 3.09Å; R129-Q146 PolarHBondContact O-NE2 3.12Å; R129-Q146 VanDerWaalsContact O-NE2 3.09Å; R129-H147 WeakPolarHBondContact O-CB 3.22Å; R129-H147 PolarHBondContact O-N 3.17Å; R129-D149 WeakPolarHBondContact CA-O 3.37Å; R129-D149 WeakPolarHBondContact CB-O 3.4Å; R129-F150 HydrophobicContact CG-CD1 4.15Å
130T98.6Very high97.5Very high0 Ų032 Ų320%014%0.141CC..EExtended strand (participates in β ladder)trans-128150.8178.274.40000112.5H107 S126 D128 R132 R144 F145H107-T130 PolarHBondContact CE1-OG1 3Å; H107-T130 VanDerWaalsContact CE1-OG1 3.22Å; H107-T130 PolarHBondContact ND1-OG1 2.74Å; S126-T130 PolarHBondContact N-O 3.06Å; D128-T130 VanDerWaalsContact C-N 3.26Å; D128-T130 VanDerWaalsContact CG-OG1 3.25Å; D128-T130 PolarHBondContact O-N 2.88Å; D128-T130 VanDerWaalsContact OD1-CB 3.31Å; D128-T130 WeakPolarHBondContact OD1-CB 3.48Å; D128-T130 PolarHBondContact OD1-N 3.43Å; D128-T130 PolarHBondContact OD1-OG1 3.32Å; D128-T130 PolarHBondContact OD2-OG1 3.39Å; T130-R132 PolarHBondContact OG1-NE 2.87Å; T130-R144 HydrophobicContact CG2-CG 3.9Å; T130-R144 VanDerWaalsContact CG2-CZ 3.43Å; T130-R144 VanDerWaalsContact CG2-NH2 3.28Å; T130-F145 VanDerWaalsContact CA-O 3.31Å; T130-F145 WeakPolarHBondContact CA-O 3.32Å
131V98.8Very high97.5Very high0 Ų031.5 Ų31.50%015%0.146CC..EExtended strand (participates in β ladder)trans-101138.5153.8-176.20000107.9L123 S124 F145 V151 I154 F164L123-V131 HydrophobicContact CB-CG1 4.31Å; L123-V131 HydrophobicContact CD2-CG1 3.76Å; S124-V131 CarbonylContact O-C 3.48Å; S124-V131 VanDerWaalsContact O-CA 3.24Å; S124-V131 WeakPolarHBondContact O-CA 3.31Å; S124-V131 WeakPolarHBondContact O-CG1 3.22Å; V131-F145 HydrophobicContact CB-CB 4.2Å; V131-F145 HydrophobicContact CB-CD2 4.13Å; V131-F145 HydrophobicContact CG1-CD2 4.25Å; V131-F145 PolarHBondContact N-O 3.43Å; V131-F145 WeakPolarHBondContact O-CD2 3.33Å; V131-F145 PolarHBondContact O-N 3.43Å; V131-V151 HydrophobicContact CG2-CB 4.21Å; V131-V151 HydrophobicContact CG2-CG1 3.63Å; V131-V151 HydrophobicContact CG2-CG2 4.22Å; V131-I154 HydrophobicContact CG1-CG2 4.14Å; V131-I154 HydrophobicContact CG2-CG2 3.73Å; V131-F164 HydrophobicContact CB-CE2 4.21Å; V131-F164 HydrophobicContact CB-CZ 4.32Å; V131-F164 HydrophobicContact CG1-CE2 3.84Å; V131-F164 HydrophobicContact CG1-CZ 4.04Å; V131-F164 HydrophobicContact CG2-CE2 4.2Å
132R98.7Very high97.4Very high22 Ų2230.3 Ų30.38%0.08314%0.142CC..EExtended strand (participates in β ladder)trans-122.4144.5175.8-67.3-177.5-172.2-152.514.2111.6G106 H107 L123 S124 D128 T130 W134 C143G106-R132 PolarHBondContact O-NH1 3.08Å; G106-R132 PolarHBondContact O-NH2 2.93Å; H107-R132 PolarHBondContact ND1-NE 2.99Å; L123-R132 VanDerWaalsContact CA-O 3.31Å; L123-R132 WeakPolarHBondContact CA-O 3.2Å; S124-R132 PolarHBondContact N-O 3.33Å; S124-R132 PolarHBondContact O-N 3.1Å; D128-R132 IonicContact OD2-CZ 3.47Å; D128-R132 IonicContact OD2-NE 2.71Å; D128-R132 IonicContact OD2-NH2 3.76Å; D128-R132 PolarHBondContact OD2-NH2 2.99Å; T130-R132 PolarHBondContact OG1-NE 2.87Å; R132-W134 HydrophobicContact CB-CZ2 3.68Å; R132-W134 HydrophobicContact CG-CZ2 4.28Å; R132-C143 WeakPolarHBondContact CA-O 3.32Å
133L98.6Very high97.4Very high7 Ų731.1 Ų31.14%0.03715%0.147CC..EExtended strand (participates in β ladder)trans-105130.5175.6-174.173.5000110.1F121 L123 L142 C143 F145 F156 I178F121-L133 HydrophobicContact CB-CD1 3.91Å; F121-L133 HydrophobicContact CD1-CD1 4.08Å; F121-L133 HydrophobicContact CD1-CD2 4.11Å; F121-L133 HydrophobicContact CD1-CG 4.1Å; F121-L133 HydrophobicContact CE1-CD2 4.5Å; F121-L133 HydrophobicContact CG-CD1 4.35Å; L123-L133 HydrophobicContact CD2-CB 4.2Å; L123-L133 HydrophobicContact CD2-CD1 3.67Å; L123-L133 HydrophobicContact CG-CD1 4.1Å; L133-L142 HydrophobicContact CB-CB 4.45Å; L133-L142 HydrophobicContact CD2-CB 4.2Å; L133-L142 HydrophobicContact CD2-CD1 4.4Å; L133-L142 HydrophobicContact CG-CB 4.39Å; L133-L142 HydrophobicContact CG-CD1 4.48Å; L133-L142 WeakPolarHBondContact O-CB 3.48Å; L133-L142 PolarHBondContact O-N 3.42Å; L133-C143 HydrophobicContact CB-CB 3.86Å; L133-C143 HydrophobicContact CD2-CB 4.29Å; L133-C143 PolarHBondContact N-O 3.4Å; L133-F145 HydrophobicContact CB-CE2 4.18Å; L133-F156 HydrophobicContact CD1-CZ 4.03Å; L133-I178 HydrophobicContact CD1-CD1 4.4Å; L133-I178 HydrophobicContact CD2-CG2 3.58Å
134W98.3Very high97.3Very high0 Ų037.3 Ų37.30%017%0.171CC..EExtended strand (participates in β ladder)trans-126.4165.3176.4-40.990.2000109.2I34 F104 R105 F121 V122 S124 R132 C141I34-W134 HydrophobicContact CD1-CZ2 4.05Å; F104-W134 HydrophobicContact CB-CD2 3.72Å; F104-W134 HydrophobicContact CB-CE3 3.61Å; F104-W134 HydrophobicContact CB-CG 4.26Å; F104-W134 HydrophobicContact CB-CH2 4.21Å; F104-W134 HydrophobicContact CB-CZ2 4.32Å; F104-W134 HydrophobicContact CB-CZ3 3.86Å; F104-W134 HydrophobicContact CD1-CB 4.28Å; F104-W134 HydrophobicContact CD1-CD2 4.38Å; F104-W134 AromaticContact CD1-CE3 3.98Å; F104-W134 HydrophobicContact CD1-CE3 3.98Å; F104-W134 HydrophobicContact CD2-CB 3.71Å; F104-W134 HydrophobicContact CD2-CD2 4.15Å; F104-W134 AromaticContact CD2-CG 3.77Å; F104-W134 HydrophobicContact CD2-CG 3.77Å; F104-W134 HydrophobicContact CE1-CB 4.28Å; F104-W134 HydrophobicContact CE2-CB 3.68Å; F104-W134 HydrophobicContact CE2-CG 4.24Å; F104-W134 HydrophobicContact CG-CB 4.03Å; F104-W134 AromaticContact CG-CD2 3.83Å; F104-W134 HydrophobicContact CG-CD2 3.83Å; F104-W134 AromaticContact CG-CE3 3.81Å; F104-W134 HydrophobicContact CG-CE3 3.81Å; F104-W134 AromaticContact CG-CG 3.93Å; F104-W134 HydrophobicContact CG-CG 3.93Å; F104-W134 HydrophobicContact CG-CZ3 4.5Å; F104-W134 HydrophobicContact CZ-CB 3.98Å; R105-W134 WeakPolarHBondContact O-CH2 3.4Å; F121-W134 CarbonylContact C-O 3.59Å; F121-W134 VanDerWaalsContact CA-O 3.22Å; F121-W134 WeakPolarHBondContact CA-O 3.3Å; V122-W134 HydrophobicContact CB-CB 4.34Å; V122-W134 PolarHBondContact N-O 2.87Å; V122-W134 PolarHBondContact O-N 2.88Å; S124-W134 PolarHBondContact OG-NE1 3.45Å; R132-W134 HydrophobicContact CB-CZ2 3.68Å; R132-W134 HydrophobicContact CG-CZ2 4.28Å; W134-C141 HydrophobicContact CE3-CB 4.03Å; W134-C141 HydrophobicContact CH2-CB 3.82Å; W134-C141 HydrophobicContact CZ3-CB 3.49Å; W134-C141 VanDerWaalsContact CZ3-CB 3.49Å
135H97.2Very high97.3Very high19 Ų1937.5 Ų37.59%0.08817%0.172CC..EExtended strand (participates in β ladder)trans-138.6142.8171.1-177.3-96.7000109.7N119 F121 S137 R138 L142N119-H135 PolarHBondContact O-CD2 3.08Å; N119-H135 PolarHBondContact O-NE2 3.44Å; F121-H135 HydrophobicContact CD1-CB 3.83Å; F121-H135 AromaticContact CD1-CD2 3.75Å; F121-H135 AromaticContact CD2-CD2 3.87Å; F121-H135 HydrophobicContact CE1-CB 3.94Å; F121-H135 AromaticContact CE1-CD2 3.73Å; F121-H135 AromaticContact CE2-CD2 3.84Å; F121-H135 AromaticContact CG-CD2 3.82Å; F121-H135 AromaticContact CZ-CD2 3.77Å; H135-S137 PolarHBondContact CE1-OG 3.03Å; H135-S137 WeakPolarHBondContact ND1-CB 3.26Å; H135-S137 PolarHBondContact ND1-N 3.28Å; H135-S137 VanDerWaalsContact ND1-N 3.16Å; H135-S137 PolarHBondContact ND1-OG 2.78Å; H135-S137 PolarHBondContact O-N 3.24Å; H135-R138 PolarHBondContact O-N 2.74Å; H135-L142 HydrophobicContact CB-CD1 3.67Å
136I96Very high97.3Very high0 Ų042 Ų420%019%0.193CC..THydrogen-bonded Turntrans-59-21.4-174.1-161.855.9000114.2L24 I36 M49 R50 L101 W116 Y120L24-I136 HydrophobicContact CD1-CD1 4.38Å; L24-I136 HydrophobicContact CD1-CG1 4.03Å; I36-I136 HydrophobicContact CB-CD1 3.98Å; I36-I136 HydrophobicContact CG1-CD1 3.91Å; I36-I136 HydrophobicContact CG2-CD1 3.62Å; M49-I136 HydrophobicContact SD-CG2 3.88Å; R50-I136 WeakPolarHBondContact CD-O 3.4Å; R50-I136 WeakPolarHBondContact CG-O 3.21Å; R50-I136 PolarHBondContact NH1-O 3.1Å; L101-I136 HydrophobicContact CD2-CD1 3.95Å; L101-I136 HydrophobicContact CD2-CG1 4.12Å; W116-I136 HydrophobicContact CH2-CD1 4.44Å; Y120-I136 HydrophobicContact CD2-CG2 4.45Å; Y120-I136 HydrophobicContact CG-CG2 4.11Å; Y120-I136 PolarHBondContact O-N 2.83Å; Y120-I136 VanDerWaalsContact O-N 3.16Å
137S95.2Very high97.3Very high7 Ų742.3 Ų42.35%0.04919%0.194CC..THydrogen-bonded Turntrans-88.8-9.1-178.9-46.20000115.2M49 Y53 H135M49-S137 WeakPolarHBondContact CG-OG 3.48Å; Y53-S137 WeakPolarHBondContact CD2-OG 3.43Å; Y53-S137 WeakPolarHBondContact CE2-OG 3.38Å; H135-S137 PolarHBondContact CE1-OG 3.03Å; H135-S137 WeakPolarHBondContact ND1-CB 3.26Å; H135-S137 PolarHBondContact ND1-N 3.28Å; H135-S137 VanDerWaalsContact ND1-N 3.16Å; H135-S137 PolarHBondContact ND1-OG 2.78Å; H135-S137 PolarHBondContact O-N 3.24Å
138R93.4Very high97.2Very high86 Ų8644.4 Ų44.433%0.32521%0.213SC..  trans-132.6147.2-176.2-71.1-177.4156.1167.3-3.8110F104 H135 E140F104-R138 WeakPolarHBondContact CE1-O 3.4Å; H135-R138 PolarHBondContact O-N 2.74Å; R138-E140 HydrophobicContact CB-CG 4.35Å; R138-E140 WeakPolarHBondContact CD-OE1 3.36Å; R138-E140 IonicContact CZ-OE1 2.84Å; R138-E140 IonicContact NE-OE1 3.18Å
139L93.4Very high97.2Very high98 Ų9846.1 Ų46.151%0.51322%0.222SC..SBendtrans-91.9-21.9177.6-72.9176.2000113.1C102 F104C102-L139 HydrophobicContact CB-CD2 3.88Å; F104-L139 HydrophobicContact CD1-CD2 4.44Å; F104-L139 HydrophobicContact CE1-CD2 4.41Å
140E94.8Very high97.2Very high114 Ų11443.4 Ų43.453%0.53321%0.214SC..SBendtrans-71.3151.4179.771-158.7-179.600112.5R138 L142R138-E140 HydrophobicContact CB-CG 4.35Å; R138-E140 WeakPolarHBondContact CD-OE1 3.36Å; R138-E140 IonicContact CZ-OE1 2.84Å; R138-E140 IonicContact NE-OE1 3.18Å; E140-L142 HydrophobicContact CG-CD2 4.15Å; E140-L142 PolarHBondContact O-N 2.96Å
141C96.7Very high97.2Very high46 Ų4643.4 Ų43.431%0.31121%0.214SC..  trans-72.3120.6169.3-1770000109.1W134 C143W134-C141 HydrophobicContact CE3-CB 4.03Å; W134-C141 HydrophobicContact CH2-CB 3.82Å; W134-C141 HydrophobicContact CZ3-CB 3.49Å; W134-C141 VanDerWaalsContact CZ3-CB 3.49Å; C141-C143 PolarHBondContact SG-O 3.44Å
142L96.6Very high97.2Very high44 Ų4444.1 Ų44.123%0.2322%0.218CC..  trans-80-39.1-176.9-60178.8000112.2F121 L133 H135 E140F121-L142 HydrophobicContact CD1-CD1 3.96Å; F121-L142 HydrophobicContact CE1-CD1 3.68Å; L133-L142 HydrophobicContact CB-CB 4.45Å; L133-L142 HydrophobicContact CD2-CB 4.2Å; L133-L142 HydrophobicContact CD2-CD1 4.4Å; L133-L142 HydrophobicContact CG-CB 4.39Å; L133-L142 HydrophobicContact CG-CD1 4.48Å; L133-L142 WeakPolarHBondContact O-CB 3.48Å; L133-L142 PolarHBondContact O-N 3.42Å; H135-L142 HydrophobicContact CB-CD1 3.67Å; E140-L142 HydrophobicContact CG-CD2 4.15Å; E140-L142 PolarHBondContact O-N 2.96Å
143C97.1Very high97.1Very high17 Ų1743.3 Ų43.312%0.11522%0.216CC..EExtended strand (participates in β ladder)trans-147.3147.2-178.5-63.40000110.3R132 L133 C141 F145 K181R132-C143 WeakPolarHBondContact CA-O 3.32Å; L133-C143 HydrophobicContact CB-CB 3.86Å; L133-C143 HydrophobicContact CD2-CB 4.29Å; L133-C143 PolarHBondContact N-O 3.4Å; C141-C143 PolarHBondContact SG-O 3.44Å; C143-F145 HydrophobicContact CB-CE2 3.74Å; C143-F145 HydrophobicContact CB-CZ 3.71Å; C143-K181 WeakPolarHBondContact SG-CE 3.42Å
144R97.8Very high97.1Very high131 Ų13143.2 Ų43.249%0.49422%0.215SC..EExtended strand (participates in β ladder)trans-123127.5170.2177.7-178.8169146.35.7108.3T130T130-R144 HydrophobicContact CG2-CG 3.9Å; T130-R144 VanDerWaalsContact CG2-CZ 3.43Å; T130-R144 VanDerWaalsContact CG2-NH2 3.28Å
145F98.5Very high97.1Very high3 Ų343.8 Ų43.81%0.01322%0.22CC..EExtended strand (participates in β ladder)trans-112.2115.8177.2-49.9-90.6000107.9L123 T130 V131 L133 C143 F164 W176 I178 K181L123-F145 HydrophobicContact CD2-CE2 4.26Å; T130-F145 VanDerWaalsContact CA-O 3.31Å; T130-F145 WeakPolarHBondContact CA-O 3.32Å; V131-F145 HydrophobicContact CB-CB 4.2Å; V131-F145 HydrophobicContact CB-CD2 4.13Å; V131-F145 HydrophobicContact CG1-CD2 4.25Å; V131-F145 PolarHBondContact N-O 3.43Å; V131-F145 WeakPolarHBondContact O-CD2 3.33Å; V131-F145 PolarHBondContact O-N 3.43Å; L133-F145 HydrophobicContact CB-CE2 4.18Å; C143-F145 HydrophobicContact CB-CE2 3.74Å; C143-F145 HydrophobicContact CB-CZ 3.71Å; F145-F164 HydrophobicContact CB-CZ 4.27Å; F145-F164 HydrophobicContact CD1-CE1 4.09Å; F145-F164 HydrophobicContact CD1-CZ 4.07Å; F145-F164 AromaticContact CD2-CE1 3.96Å; F145-F164 HydrophobicContact CD2-CE1 3.96Å; F145-F164 AromaticContact CD2-CZ 3.7Å; F145-F164 HydrophobicContact CD2-CZ 3.7Å; F145-F164 AromaticContact CE1-CE1 3.87Å; F145-F164 HydrophobicContact CE1-CE1 3.87Å; F145-F164 HydrophobicContact CE1-CZ 4.31Å; F145-F164 AromaticContact CE2-CE1 3.76Å; F145-F164 HydrophobicContact CE2-CE1 3.76Å; F145-F164 AromaticContact CE2-CZ 3.99Å; F145-F164 HydrophobicContact CE2-CZ 3.99Å; F145-F164 HydrophobicContact CG-CE1 4.14Å; F145-F164 AromaticContact CG-CZ 3.75Å; F145-F164 HydrophobicContact CG-CZ 3.75Å; F145-F164 AromaticContact CZ-CE1 3.72Å; F145-F164 HydrophobicContact CZ-CE1 3.72Å; F145-F164 HydrophobicContact CZ-CZ 4.29Å; F145-W176 HydrophobicContact CB-CD2 4.39Å; F145-W176 HydrophobicContact CB-CE3 4.23Å; F145-W176 HydrophobicContact CB-CH2 4.07Å; F145-W176 HydrophobicContact CB-CZ2 4.22Å; F145-W176 HydrophobicContact CB-CZ3 4.07Å; F145-W176 HydrophobicContact CD1-CD2 4.12Å; F145-W176 AromaticContact CD1-CE3 3.61Å; F145-W176 HydrophobicContact CD1-CE3 3.61Å; F145-W176 AromaticContact CD1-CZ3 3.99Å; F145-W176 HydrophobicContact CD1-CZ3 3.99Å; F145-W176 HydrophobicContact CE1-CE3 4.44Å; F145-W176 HydrophobicContact CG-CE3 4.32Å; F145-I178 HydrophobicContact CZ-CB 4.36Å; F145-I178 HydrophobicContact CZ-CG1 4.05Å; F145-I178 HydrophobicContact CZ-CG2 4.26Å; F145-K181 HydrophobicContact CE1-CB 4.45Å
146Q98.1Very high97.2Very high95 Ų9543.6 Ų43.644%0.44422%0.219SC..EExtended strand (participates in β ladder)trans-87.8138.8-172.1-171.961.252.800111.3R129R129-Q146 PolarHBondContact O-NE2 3.12Å; R129-Q146 VanDerWaalsContact O-NE2 3.09Å
147H98.4Very high97.2Very high7 Ų744.5 Ų44.53%0.03223%0.225CC..  trans-120.7167172.5-74.7-106.8000111.2R129 D149 V151 S166 R174 W176R129-H147 WeakPolarHBondContact O-CB 3.22Å; R129-H147 PolarHBondContact O-N 3.17Å; H147-D149 WeakPolarHBondContact CB-O 3.25Å; H147-V151 HydrophobicContact CB-CG2 3.71Å; H147-V151 VanDerWaalsContact CD2-CG2 3.46Å; H147-V151 WeakPolarHBondContact CD2-CG2 3.41Å; H147-V151 VanDerWaalsContact CG-CG2 3.43Å; H147-S166 PolarHBondContact CE1-OG 3.36Å; H147-S166 PolarHBondContact NE2-OG 2.91Å; H147-R174 PolarHBondContact ND1-NH1 2.84Å; H147-R174 VanDerWaalsContact ND1-NH1 3.14Å; H147-W176 AromaticContact CE1-CZ2 3.88Å; H147-W176 AromaticContact CE1-NE1 3.97Å; H147-W176 AromaticContact NE2-CE2 3.8Å; H147-W176 AromaticContact NE2-CZ2 3.42Å; H147-W176 WeakPolarHBondContact NE2-CZ2 3.49Å; H147-W176 AromaticContact NE2-NE1 3.67Å
148C97.6Very high97.1Very high95 Ų9547.7 Ų47.764%0.64224%0.244SC*.SBendtrans-82.2-22.4176.8-64.60000112.6D170C148-D170 HydrophobicContact CB-CB 4.06Å
149D98.2Very high96.9Very high52 Ų5249.8 Ų49.828%0.27826%0.256SS..SBendtrans-146.8-175.8179-152.3-14.9000111R129 H147 S168 L169 D170R129-D149 WeakPolarHBondContact CA-O 3.37Å; R129-D149 WeakPolarHBondContact CB-O 3.4Å; H147-D149 WeakPolarHBondContact CB-O 3.25Å; D149-S168 PolarHBondContact O-OG 3.24Å; D149-L169 HydrophobicContact CB-CB 4.27Å; D149-D170 HydrophobicContact CB-CB 3.84Å
150F98.5Very high96.9Very high68 Ų6847.2 Ų47.230%0.29824%0.242SC..  trans-55.3140.8-177.2-58.5-13.4000111.4M127 R129 S168 L169M127-F150 HydrophobicContact CB-CD1 3.96Å; M127-F150 HydrophobicContact CB-CD2 4.29Å; M127-F150 HydrophobicContact CB-CE1 4Å; M127-F150 HydrophobicContact CB-CE2 4.34Å; M127-F150 HydrophobicContact CB-CG 4.11Å; M127-F150 HydrophobicContact CB-CZ 4.2Å; M127-F150 HydrophobicContact CG-CD1 4.48Å; M127-F150 HydrophobicContact CG-CD2 3.95Å; M127-F150 HydrophobicContact CG-CE2 4.13Å; M127-F150 HydrophobicContact CG-CG 4.15Å; M127-F150 HydrophobicContact CG-CZ 4.47Å; M127-F150 WeakPolarHBondContact O-CD1 3.31Å; M127-F150 WeakPolarHBondContact O-CE1 3.47Å; M127-F150 HydrophobicContact SD-CE2 4.21Å; R129-F150 HydrophobicContact CG-CD1 4.15Å; F150-S168 CarbonylContact O-C 3.58Å; F150-S168 WeakPolarHBondContact O-CA 3.07Å; F150-S168 WeakPolarHBondContact O-CB 3.3Å; F150-S168 PolarHBondContact O-OG 3.45Å; F150-L169 HydrophobicContact CB-CD1 3.86Å; F150-L169 HydrophobicContact CB-CG 4.09Å; F150-L169 HydrophobicContact CD2-CD1 3.7Å; F150-L169 HydrophobicContact CG-CD1 4.14Å; F150-L169 PolarHBondContact O-N 2.95Å
151V98.8Very high96.9Very high0 Ų043.1 Ų43.10%022%0.224CC..EExtended strand (participates in β ladder)trans-104.4104.2178.3-1680000108.8S125 S126 V131 H147 I154 G167S125-V151 VanDerWaalsContact CB-O 3.23Å; S125-V151 WeakPolarHBondContact CB-O 3.45Å; S125-V151 PolarHBondContact OG-O 3.47Å; S126-V151 PolarHBondContact O-N 3.13Å; S126-V151 VanDerWaalsContact O-N 3.14Å; V131-V151 HydrophobicContact CG2-CB 4.21Å; V131-V151 HydrophobicContact CG2-CG1 3.63Å; V131-V151 HydrophobicContact CG2-CG2 4.22Å; H147-V151 HydrophobicContact CB-CG2 3.71Å; H147-V151 VanDerWaalsContact CD2-CG2 3.46Å; H147-V151 WeakPolarHBondContact CD2-CG2 3.41Å; H147-V151 VanDerWaalsContact CG-CG2 3.43Å; V151-I154 HydrophobicContact CG1-CG2 4.12Å; V151-G167 WeakPolarHBondContact CG1-O 3.4Å
152T98.3Very high96.9Very high16 Ų1647.2 Ų47.210%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-85.6-25.9-167.764.60000113.6L112 G167 L169 V195 T196L112-T152 HydrophobicContact CD1-CG2 4.46Å; T152-G167 PolarHBondContact N-O 2.83Å; T152-G167 VanDerWaalsContact N-O 3.1Å; T152-L169 HydrophobicContact CG2-CD1 4.4Å; T152-L169 HydrophobicContact CG2-CD2 3.53Å; T152-L169 HydrophobicContact CG2-CG 3.69Å; T152-V195 PolarHBondContact OG1-O 3.15Å; T152-V195 VanDerWaalsContact OG1-O 3.11Å; T152-T196 WeakPolarHBondContact CB-O 3.42Å; T152-T196 VanDerWaalsContact OG1-C 3.26Å; T152-T196 WeakPolarHBondContact OG1-CA 3.38Å; T152-T196 PolarHBondContact OG1-O 3.08Å
153S98.4Very high96.9Very high4 Ų448 Ų483%0.02823%0.233CC..EExtended strand (participates in β ladder)trans-157146.6-175.8-171.50000111.7D113 G167 V198D113-S153 WeakPolarHBondContact OD2-CA 3.1Å; D113-S153 PolarHBondContact OD2-OG 2.97Å; D113-S153 VanDerWaalsContact OD2-OG 3.05Å; S153-G167 PolarHBondContact O-N 3.46Å; S153-V198 WeakPolarHBondContact O-CG2 3.26Å; S153-V198 PolarHBondContact OG-N 3.17Å; S153-V198 PolarHBondContact OG-O 3.46Å
154I98.6Very high97Very high5 Ų547.1 Ų47.13%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-142.7148.1-176.544.5160.9000110.2D113 C115 L123 V131 V151 I165D113-I154 HydrophobicContact CB-CG1 3.94Å; C115-I154 HydrophobicContact CB-CD1 4.26Å; C115-I154 HydrophobicContact CB-CG1 4.47Å; L123-I154 VanDerWaalsContact C-CD1 3.43Å; L123-I154 HydrophobicContact CB-CD1 3.51Å; L123-I154 WeakPolarHBondContact O-CD1 3.43Å; V131-I154 HydrophobicContact CG1-CG2 4.14Å; V131-I154 HydrophobicContact CG2-CG2 3.73Å; V151-I154 HydrophobicContact CG1-CG2 4.12Å; I154-I165 VanDerWaalsContact CA-O 3.29Å; I154-I165 WeakPolarHBondContact CA-O 3.25Å
155A98.4Very high97Very high12 Ų1240.9 Ų40.910%0.09920%0.204CC..EExtended strand (participates in β ladder)trans-145.4133.5170.600000111.2F164 I165 F200A155-F164 CarbonylContact O-C 3.56Å; A155-F164 VanDerWaalsContact O-CA 3.29Å; A155-F164 WeakPolarHBondContact O-CA 3.31Å; A155-F164 WeakPolarHBondContact O-CB 3.44Å; A155-I165 HydrophobicContact CB-CG2 3.92Å; A155-I165 PolarHBondContact N-O 3.1Å; A155-I165 PolarHBondContact O-N 2.8Å; A155-F200 HydrophobicContact CB-CD2 3.9Å; A155-F200 HydrophobicContact CB-CE2 4.04Å
156F98.1Very high97Very high15 Ų1540.8 Ų40.87%0.06620%0.204CC..EExtended strand (participates in β ladder)trans-64.6146.6165.6-88.6-75.3000110.4C115 W116 F121 L123 L133 V158 D161 F164 I178 F200C115-F156 HydrophobicContact CB-CD2 4.2Å; C115-F156 PolarHBondContact SG-N 2.85Å; C115-F156 VanDerWaalsContact SG-N 3.36Å; W116-F156 WeakPolarHBondContact O-CD2 3.39Å; F121-F156 HydrophobicContact CB-CZ 4.05Å; L123-F156 HydrophobicContact CB-CE2 4Å; L123-F156 HydrophobicContact CB-CZ 4.44Å; L123-F156 HydrophobicContact CD1-CD1 3.98Å; L123-F156 HydrophobicContact CD1-CD2 3.72Å; L123-F156 HydrophobicContact CD1-CE1 3.72Å; L123-F156 HydrophobicContact CD1-CE2 3.45Å; L123-F156 VanDerWaalsContact CD1-CE2 3.45Å; L123-F156 HydrophobicContact CD1-CG 3.99Å; L123-F156 HydrophobicContact CD1-CZ 3.45Å; L123-F156 VanDerWaalsContact CD1-CZ 3.45Å; L123-F156 HydrophobicContact CD2-CZ 4.38Å; L123-F156 HydrophobicContact CG-CD2 4.19Å; L123-F156 HydrophobicContact CG-CE1 4.16Å; L123-F156 HydrophobicContact CG-CE2 3.45Å; L123-F156 VanDerWaalsContact CG-CE2 3.45Å; L123-F156 HydrophobicContact CG-CZ 3.43Å; L123-F156 VanDerWaalsContact CG-CZ 3.43Å; L133-F156 HydrophobicContact CD1-CZ 4.03Å; F156-V158 PolarHBondContact O-N 3.34Å; F156-D161 WeakPolarHBondContact CE1-O 3.24Å; F156-F164 HydrophobicContact CD1-CB 4.35Å; F156-I178 HydrophobicContact CD1-CD1 4.39Å; F156-I178 HydrophobicContact CE1-CD1 3.55Å; F156-I178 HydrophobicContact CZ-CD1 4.31Å; F156-F200 VanDerWaalsContact O-CD2 3.25Å; F156-F200 WeakPolarHBondContact O-CD2 3.47Å; F156-F200 VanDerWaalsContact O-CE2 3.22Å; F156-F200 WeakPolarHBondContact O-CE2 3.5Å
157S95.8Very high97.1Very high19 Ų1936.2 Ų36.213%0.13318%0.182CC..  trans-63.5132.8171.71670000110.5K159 D160 Y163S157-K159 PolarHBondContact O-N 3.2Å; S157-K159 PolarHBondContact OG-N 3.43Å; S157-D160 VanDerWaalsContact CB-O 3.32Å; S157-D160 WeakPolarHBondContact CB-O 3.34Å; S157-D160 PolarHBondContact OG-N 3.05Å; S157-Y163 WeakPolarHBondContact CB-O 3.34Å; S157-Y163 PolarHBondContact N-O 2.89Å
158V92.6Very high97.1Very high74 Ų7435.9 Ų35.945%0.44818%0.181SC..SBendtrans-64.3-26.3179.1-176.10000111.6K118 F156 F200K118-V158 PolarHBondContact NZ-O 3.48Å; F156-V158 PolarHBondContact O-N 3.34Å; V158-F200 HydrophobicContact CG2-CB 3.76Å; V158-F200 HydrophobicContact CG2-CG 4.24Å
159K91.1Very high97.1Very high131 Ų13133.3 Ų33.357%0.5716%0.16SC*.SBendtrans-96.2-35.7-174.4-64-178.4-177.1177.80113.1S157 N203S157-K159 PolarHBondContact O-N 3.2Å; S157-K159 PolarHBondContact OG-N 3.43Å; K159-N203 WeakPolarHBondContact CE-O 3.26Å
160D93.4Very high97.1Very high43 Ų4332.3 Ų32.323%0.2316%0.155CC..  trans-145.7111.2-171.4-174.5-12.7000111.6S157 R162 Y163S157-D160 VanDerWaalsContact CB-O 3.32Å; S157-D160 WeakPolarHBondContact CB-O 3.34Å; S157-D160 PolarHBondContact OG-N 3.05Å; D160-R162 PolarHBondContact O-N 2.91Å; D160-R162 VanDerWaalsContact OD1-CB 3.26Å; D160-R162 WeakPolarHBondContact OD1-CB 3.43Å; D160-R162 VanDerWaalsContact OD1-CG 3.25Å; D160-R162 WeakPolarHBondContact OD1-CG 3.43Å; D160-R162 PolarHBondContact OD1-N 3.28Å; D160-R162 IonicContact OD1-NE 3.67Å; D160-R162 PolarHBondContact OD1-NE 2.84Å; D160-R162 VanDerWaalsContact OD1-NE 3.12Å; D160-R162 IonicContact OD2-CZ 3.22Å; D160-R162 VanDerWaalsContact OD2-CZ 3.25Å; D160-R162 IonicContact OD2-NE 3.94Å; D160-R162 PolarHBondContact OD2-NE 3.44Å; D160-R162 IonicContact OD2-NH2 3.76Å; D160-R162 PolarHBondContact OD2-NH2 3.04Å; D160-Y163 HydrophobicContact CB-CD2 3.99Å; D160-Y163 PolarHBondContact O-N 2.98Å; D160-Y163 WeakPolarHBondContact OD2-CE2 3.17Å
161D94Very high97Very high28 Ų2829.3 Ų29.315%0.1514%0.143CC..THydrogen-bonded Turntrans-61.2-11-178.8-74.61.5000113.8K118 N119 F156 Y163 I178K118-D161 WeakPolarHBondContact CB-OD2 2.92Å; K118-D161 PolarHBondContact N-OD2 2.89Å; K118-D161 VanDerWaalsContact N-OD2 3.1Å; N119-D161 PolarHBondContact N-OD2 2.83Å; N119-D161 PolarHBondContact ND2-OD2 3.22Å; F156-D161 WeakPolarHBondContact CE1-O 3.24Å; D161-Y163 PolarHBondContact O-N 2.95Å; D161-I178 WeakPolarHBondContact O-CD1 3Å
162R96.3Very high97Very high132 Ų13231.8 Ų31.850%0.49815%0.154SC..THydrogen-bonded Turntrans-73.4-15.8174.6-61.4179.8-62.7164.83112.9D160 L177 I178 P179D160-R162 PolarHBondContact O-N 2.91Å; D160-R162 VanDerWaalsContact OD1-CB 3.26Å; D160-R162 WeakPolarHBondContact OD1-CB 3.43Å; D160-R162 VanDerWaalsContact OD1-CG 3.25Å; D160-R162 WeakPolarHBondContact OD1-CG 3.43Å; D160-R162 PolarHBondContact OD1-N 3.28Å; D160-R162 IonicContact OD1-NE 3.67Å; D160-R162 PolarHBondContact OD1-NE 2.84Å; D160-R162 VanDerWaalsContact OD1-NE 3.12Å; D160-R162 IonicContact OD2-CZ 3.22Å; D160-R162 VanDerWaalsContact OD2-CZ 3.25Å; D160-R162 IonicContact OD2-NE 3.94Å; D160-R162 PolarHBondContact OD2-NE 3.44Å; D160-R162 IonicContact OD2-NH2 3.76Å; D160-R162 PolarHBondContact OD2-NH2 3.04Å; R162-L177 HydrophobicContact CB-CD1 4.03Å; R162-I178 WeakPolarHBondContact O-CB 3.49Å; R162-I178 WeakPolarHBondContact O-CG1 3.42Å; R162-I178 PolarHBondContact O-N 3.42Å; R162-P179 HydrophobicContact CB-CG 4.43Å; R162-P179 HydrophobicContact CG-CG 4.32Å
163Y97.5Very high97Very high60 Ų6031 Ų3124%0.23515%0.149CC..EExtended strand (participates in β ladder)trans-115.7145.5-177.3-62.1-95.4000112.1S157 D160 D161 L175 W176 L177 V184S157-Y163 WeakPolarHBondContact CB-O 3.34Å; S157-Y163 PolarHBondContact N-O 2.89Å; D160-Y163 HydrophobicContact CB-CD2 3.99Å; D160-Y163 PolarHBondContact O-N 2.98Å; D160-Y163 WeakPolarHBondContact OD2-CE2 3.17Å; D161-Y163 PolarHBondContact O-N 2.95Å; Y163-L175 HydrophobicContact CD1-CD1 4.35Å; Y163-L175 HydrophobicContact CD1-CG 4.34Å; Y163-W176 VanDerWaalsContact CA-O 3.25Å; Y163-W176 WeakPolarHBondContact CA-O 3.28Å; Y163-W176 WeakPolarHBondContact CD1-O 3.45Å; Y163-L177 HydrophobicContact CD1-CB 4.36Å; Y163-L177 HydrophobicContact CD1-CD1 4.27Å; Y163-L177 HydrophobicContact CD2-CD1 4.49Å; Y163-L177 HydrophobicContact CE1-CB 4.09Å; Y163-L177 HydrophobicContact CE1-CD1 3.82Å; Y163-L177 HydrophobicContact CE1-CG 4.43Å; Y163-L177 HydrophobicContact CE2-CD1 4.04Å; Y163-V184 HydrophobicContact CE1-CG2 4.09Å
164F98.4Very high97Very high0 Ų031.8 Ų31.80%015%0.152CC..EExtended strand (participates in β ladder)trans-143.7156.516875.8-86.3000111L123 V131 F145 A155 F156 W176 I178L123-F164 HydrophobicContact CD1-CB 3.42Å; L123-F164 VanDerWaalsContact CD1-CB 3.42Å; L123-F164 HydrophobicContact CD1-CD1 3.85Å; L123-F164 HydrophobicContact CD1-CD2 3.81Å; L123-F164 HydrophobicContact CD1-CG 3.42Å; L123-F164 VanDerWaalsContact CD1-CG 3.42Å; L123-F164 HydrophobicContact CD2-CD1 4.31Å; L123-F164 HydrophobicContact CD2-CE1 4.3Å; V131-F164 HydrophobicContact CB-CE2 4.21Å; V131-F164 HydrophobicContact CB-CZ 4.32Å; V131-F164 HydrophobicContact CG1-CE2 3.84Å; V131-F164 HydrophobicContact CG1-CZ 4.04Å; V131-F164 HydrophobicContact CG2-CE2 4.2Å; F145-F164 HydrophobicContact CB-CZ 4.27Å; F145-F164 HydrophobicContact CD1-CE1 4.09Å; F145-F164 HydrophobicContact CD1-CZ 4.07Å; F145-F164 AromaticContact CD2-CE1 3.96Å; F145-F164 HydrophobicContact CD2-CE1 3.96Å; F145-F164 AromaticContact CD2-CZ 3.7Å; F145-F164 HydrophobicContact CD2-CZ 3.7Å; F145-F164 AromaticContact CE1-CE1 3.87Å; F145-F164 HydrophobicContact CE1-CE1 3.87Å; F145-F164 HydrophobicContact CE1-CZ 4.31Å; F145-F164 AromaticContact CE2-CE1 3.76Å; F145-F164 HydrophobicContact CE2-CE1 3.76Å; F145-F164 AromaticContact CE2-CZ 3.99Å; F145-F164 HydrophobicContact CE2-CZ 3.99Å; F145-F164 HydrophobicContact CG-CE1 4.14Å; F145-F164 AromaticContact CG-CZ 3.75Å; F145-F164 HydrophobicContact CG-CZ 3.75Å; F145-F164 AromaticContact CZ-CE1 3.72Å; F145-F164 HydrophobicContact CZ-CE1 3.72Å; F145-F164 HydrophobicContact CZ-CZ 4.29Å; A155-F164 CarbonylContact O-C 3.56Å; A155-F164 VanDerWaalsContact O-CA 3.29Å; A155-F164 WeakPolarHBondContact O-CA 3.31Å; A155-F164 WeakPolarHBondContact O-CB 3.44Å; F156-F164 HydrophobicContact CD1-CB 4.35Å; F164-W176 HydrophobicContact CD1-CB 3.67Å; F164-W176 HydrophobicContact CD1-CG 4.36Å; F164-W176 AromaticContact CD2-CD1 3.97Å; F164-W176 HydrophobicContact CE1-CB 3.26Å; F164-W176 AromaticContact CE1-CG 3.69Å; F164-W176 HydrophobicContact CE1-CG 3.69Å; F164-W176 HydrophobicContact CE2-CB 4.16Å; F164-W176 AromaticContact CE2-CD1 3.33Å; F164-W176 AromaticContact CE2-CG 3.82Å; F164-W176 HydrophobicContact CE2-CG 3.82Å; F164-W176 AromaticContact CE2-NE1 3.89Å; F164-W176 HydrophobicContact CG-CB 4.28Å; F164-W176 HydrophobicContact CZ-CB 3.54Å; F164-W176 AromaticContact CZ-CD1 3.38Å; F164-W176 HydrophobicContact CZ-CD2 4.01Å; F164-W176 AromaticContact CZ-CG 3.36Å; F164-W176 HydrophobicContact CZ-CG 3.36Å; F164-W176 AromaticContact CZ-NE1 3.97Å; F164-W176 PolarHBondContact N-O 3.15Å; F164-W176 PolarHBondContact O-N 3.09Å; F164-I178 HydrophobicContact CD1-CD1 3.85Å; F164-I178 HydrophobicContact CD1-CG1 3.58Å; F164-I178 HydrophobicContact CE1-CD1 4.47Å; F164-I178 HydrophobicContact CE1-CG1 3.84Å
165I98.6Very high97Very high0 Ų032.1 Ų32.10%015%0.153CC..EExtended strand (participates in β ladder)trans-104.7143.5172.5-158.881.8000109.8I154 A155 I173 R174 L175 V198 F200 V207 L224I154-I165 VanDerWaalsContact CA-O 3.29Å; I154-I165 WeakPolarHBondContact CA-O 3.25Å; A155-I165 HydrophobicContact CB-CG2 3.92Å; A155-I165 PolarHBondContact N-O 3.1Å; A155-I165 PolarHBondContact O-N 2.8Å; I165-I173 HydrophobicContact CD1-CG2 3.87Å; I165-I173 HydrophobicContact CG1-CG2 3.74Å; I165-R174 CarbonylContact C-O 3.56Å; I165-R174 WeakPolarHBondContact CA-O 3.35Å; I165-R174 VanDerWaalsContact CD1-O 3.27Å; I165-R174 WeakPolarHBondContact CD1-O 3.29Å; I165-L175 HydrophobicContact CD1-CB 3.97Å; I165-L175 HydrophobicContact CD1-CD1 4.33Å; I165-V198 HydrophobicContact CG2-CB 4.25Å; I165-V198 HydrophobicContact CG2-CG2 3.89Å; I165-F200 HydrophobicContact CB-CE2 4.17Å; I165-F200 HydrophobicContact CB-CZ 3.98Å; I165-F200 HydrophobicContact CG2-CD2 4.42Å; I165-F200 HydrophobicContact CG2-CE2 3.71Å; I165-F200 HydrophobicContact CG2-CZ 3.98Å; I165-V207 HydrophobicContact CD1-CG2 4.47Å; I165-V207 HydrophobicContact CG1-CG1 4.15Å; I165-L224 HydrophobicContact CD1-CD1 4Å; I165-L224 HydrophobicContact CD1-CD2 3.6Å; I165-L224 HydrophobicContact CD1-CG 4.35Å
166S98.7Very high97Very high0 Ų032.2 Ų32.20%015%0.151CC..EExtended strand (participates in β ladder)trans-130.2138.1172.758.10000110.6H147 I173 R174 W176H147-S166 PolarHBondContact CE1-OG 3.36Å; H147-S166 PolarHBondContact NE2-OG 2.91Å; S166-I173 WeakPolarHBondContact O-CA 3.49Å; S166-R174 PolarHBondContact N-O 2.95Å; S166-R174 PolarHBondContact O-N 2.86Å; S166-R174 PolarHBondContact OG-O 2.88Å; S166-W176 PolarHBondContact OG-NE1 2.71Å
167G98.5Very high97Very high0 Ų032.3 Ų32.30%015%0.152CC..EExtended strand (participates in β ladder)trans-109.1138.6167.600000111.1V151 T152 S153V151-G167 WeakPolarHBondContact CG1-O 3.4Å; T152-G167 PolarHBondContact N-O 2.83Å; T152-G167 VanDerWaalsContact N-O 3.1Å; S153-G167 PolarHBondContact O-N 3.46Å
168S98.5Very high97.1Very high0 Ų032.3 Ų32.30%015%0.151CC..EExtended strand (participates in β ladder)trans-132.3156.7-177.9175.60000112.7D149 F150 D170 G171 K172 V195D149-S168 PolarHBondContact O-OG 3.24Å; F150-S168 CarbonylContact O-C 3.58Å; F150-S168 WeakPolarHBondContact O-CA 3.07Å; F150-S168 WeakPolarHBondContact O-CB 3.3Å; F150-S168 PolarHBondContact O-OG 3.45Å; S168-D170 WeakPolarHBondContact CB-OD1 3.34Å; S168-D170 PolarHBondContact O-N 2.88Å; S168-D170 PolarHBondContact OG-N 2.99Å; S168-D170 PolarHBondContact OG-OD1 2.88Å; S168-G171 PolarHBondContact O-N 2.81Å; S168-K172 PolarHBondContact N-O 3.05Å; S168-V195 WeakPolarHBondContact O-CB 3.32Å; S168-V195 PolarHBondContact O-N 3.32Å
169L98.2Very high97.2Very high40 Ų4033.1 Ų33.121%0.20916%0.157CC..THydrogen-bonded Turntrans-66.2-10171.4-61.4-172.2000112.8D149 F150 T152 G171 L194D149-L169 HydrophobicContact CB-CB 4.27Å; F150-L169 HydrophobicContact CB-CD1 3.86Å; F150-L169 HydrophobicContact CB-CG 4.09Å; F150-L169 HydrophobicContact CD2-CD1 3.7Å; F150-L169 HydrophobicContact CG-CD1 4.14Å; F150-L169 PolarHBondContact O-N 2.95Å; T152-L169 HydrophobicContact CG2-CD1 4.4Å; T152-L169 HydrophobicContact CG2-CD2 3.53Å; T152-L169 HydrophobicContact CG2-CG 3.69Å; L169-G171 PolarHBondContact O-N 2.8Å; L169-G171 VanDerWaalsContact O-N 3.08Å; L169-L194 HydrophobicContact CD2-CB 3.88Å; L169-L194 HydrophobicContact CD2-CD1 4.28Å; L169-L194 WeakPolarHBondContact O-CD2 3.37Å
170D97.8Very high97.5Very high31 Ų3132.3 Ų32.317%0.16616%0.156CC..THydrogen-bonded Turntrans-71.96.9170713.7000113.8C148 D149 S168 K172 R174C148-D170 HydrophobicContact CB-CB 4.06Å; D149-D170 HydrophobicContact CB-CB 3.84Å; S168-D170 WeakPolarHBondContact CB-OD1 3.34Å; S168-D170 PolarHBondContact O-N 2.88Å; S168-D170 PolarHBondContact OG-N 2.99Å; S168-D170 PolarHBondContact OG-OD1 2.88Å; D170-K172 PolarHBondContact O-N 3.12Å; D170-K172 VanDerWaalsContact OD1-CB 3.29Å; D170-K172 WeakPolarHBondContact OD1-CB 3.44Å; D170-K172 PolarHBondContact OD1-N 2.85Å; D170-R174 IonicContact OD1-NH1 3.58Å; D170-R174 PolarHBondContact OD1-NH1 3.32Å; D170-R174 IonicContact OD2-CZ 3.65Å; D170-R174 VanDerWaalsContact OD2-CZ 3.23Å; D170-R174 IonicContact OD2-NH1 3.13Å; D170-R174 PolarHBondContact OD2-NH1 2.52Å; D170-R174 IonicContact OD2-NH2 2.78Å; D170-R174 PolarHBondContact OD2-NH2 3.16Å
171G97.8Very high97.6Very high5 Ų536 Ų365%0.05217%0.17CC..SBendtrans77.92.9179.100000114.3S168 L169 L189 Q193S168-G171 PolarHBondContact O-N 2.81Å; L169-G171 PolarHBondContact O-N 2.8Å; L169-G171 VanDerWaalsContact O-N 3.08Å; G171-L189 WeakPolarHBondContact O-CG 3.22Å; G171-L189 PolarHBondContact O-N 2.71Å; G171-Q193 VanDerWaalsContact CA-O 3.24Å; G171-Q193 WeakPolarHBondContact CA-O 3.38Å
172K98.2Very high97.7Very high52 Ų5240.6 Ų40.623%0.22619%0.188CC..EExtended strand (participates in β ladder)trans-108.2144.1-174.8-63.8173.3177.4-178.70113S168 D170 W186 N187 E188S168-K172 PolarHBondContact N-O 3.05Å; D170-K172 PolarHBondContact O-N 3.12Å; D170-K172 VanDerWaalsContact OD1-CB 3.29Å; D170-K172 WeakPolarHBondContact OD1-CB 3.44Å; D170-K172 PolarHBondContact OD1-N 2.85Å; K172-W186 HydrophobicContact CD-CE3 4.27Å; K172-W186 HydrophobicContact CD-CZ3 4.44Å; K172-W186 HydrophobicContact CG-CE3 4.41Å; K172-N187 WeakPolarHBondContact CA-O 3.45Å; K172-E188 WeakPolarHBondContact CE-OE1 3.34Å; K172-E188 WeakPolarHBondContact CE-OE2 3.23Å; K172-E188 HydrophobicContact CG-CB 4.02Å; K172-E188 HydrophobicContact CG-CG 4.04Å; K172-E188 IonicContact NZ-OE1 2.87Å; K172-E188 IonicContact NZ-OE2 2.84Å
173I98.4Very high97.8Very high0 Ų036.8 Ų36.80%018%0.179CC..EExtended strand (participates in β ladder)trans-109.6129.2170.6-48.3135.3000106.5I165 S166 W186 N187 L189 V195 V209 Y219 L224I165-I173 HydrophobicContact CD1-CG2 3.87Å; I165-I173 HydrophobicContact CG1-CG2 3.74Å; S166-I173 WeakPolarHBondContact O-CA 3.49Å; I173-W186 CarbonylContact O-C 3.58Å; I173-W186 WeakPolarHBondContact O-CA 3.47Å; I173-W186 WeakPolarHBondContact O-CB 3.47Å; I173-N187 PolarHBondContact N-O 3.11Å; I173-N187 PolarHBondContact O-N 2.79Å; I173-L189 HydrophobicContact CD1-CD2 4.18Å; I173-V195 HydrophobicContact CG1-CG2 3.82Å; I173-V209 HydrophobicContact CD1-CB 4.3Å; I173-V209 HydrophobicContact CD1-CG1 3.87Å; I173-V209 HydrophobicContact CD1-CG2 3.83Å; I173-V209 HydrophobicContact CG1-CG1 3.84Å; I173-V209 HydrophobicContact CG1-CG2 4Å; I173-V209 HydrophobicContact CG2-CG2 4.24Å; I173-Y219 HydrophobicContact CD1-CD2 3.98Å; I173-Y219 HydrophobicContact CD1-CE2 3.37Å; I173-L224 HydrophobicContact CG2-CD1 4.47Å; I173-L224 HydrophobicContact CG2-CD2 4.46Å
174R98.6Very high97.8Very high21 Ų2137 Ų378%0.07919%0.187CC..EExtended strand (participates in β ladder)trans-127.6132.1-176.2-63.9177.1-179.883-9.8110.9H147 I165 S166 D170 W176 V183 W186H147-R174 PolarHBondContact ND1-NH1 2.84Å; H147-R174 VanDerWaalsContact ND1-NH1 3.14Å; I165-R174 CarbonylContact C-O 3.56Å; I165-R174 WeakPolarHBondContact CA-O 3.35Å; I165-R174 VanDerWaalsContact CD1-O 3.27Å; I165-R174 WeakPolarHBondContact CD1-O 3.29Å; S166-R174 PolarHBondContact N-O 2.95Å; S166-R174 PolarHBondContact O-N 2.86Å; S166-R174 PolarHBondContact OG-O 2.88Å; D170-R174 IonicContact OD1-NH1 3.58Å; D170-R174 PolarHBondContact OD1-NH1 3.32Å; D170-R174 IonicContact OD2-CZ 3.65Å; D170-R174 VanDerWaalsContact OD2-CZ 3.23Å; D170-R174 IonicContact OD2-NH1 3.13Å; D170-R174 PolarHBondContact OD2-NH1 2.52Å; D170-R174 IonicContact OD2-NH2 2.78Å; D170-R174 PolarHBondContact OD2-NH2 3.16Å; R174-W176 HydrophobicContact CB-CZ2 4.39Å; R174-V183 HydrophobicContact CB-CG1 4.2Å; R174-V183 HydrophobicContact CG-CG1 4.28Å; R174-V183 HydrophobicContact CG-CG2 4.48Å; R174-W186 HydrophobicContact CG-CB 3.92Å
175L98.4Very high97.7Very high11 Ų1139.5 Ų39.56%0.05820%0.2CC..EExtended strand (participates in β ladder)trans-95.4121.1166.7179.568.4000108.3Y163 I165 V184 N185 S221 L224Y163-L175 HydrophobicContact CD1-CD1 4.35Å; Y163-L175 HydrophobicContact CD1-CG 4.34Å; I165-L175 HydrophobicContact CD1-CB 3.97Å; I165-L175 HydrophobicContact CD1-CD1 4.33Å; L175-V184 PolarHBondContact O-N 3.02Å; L175-N185 HydrophobicContact CB-CB 4.41Å; L175-N185 PolarHBondContact N-O 2.98Å; L175-N185 PolarHBondContact O-N 2.92Å; L175-S221 WeakPolarHBondContact CD2-O 3.44Å; L175-L224 HydrophobicContact CB-CD1 3.99Å; L175-L224 HydrophobicContact CB-CG 4.42Å
176W98.5Very high97.7Very high15 Ų1546.3 Ų46.36%0.05723%0.226CC..EExtended strand (participates in β ladder)trans-108.4146.3-176.5-64.689.3000111.2F145 H147 Y163 F164 S166 R174 K182 V183F145-W176 HydrophobicContact CB-CD2 4.39Å; F145-W176 HydrophobicContact CB-CE3 4.23Å; F145-W176 HydrophobicContact CB-CH2 4.07Å; F145-W176 HydrophobicContact CB-CZ2 4.22Å; F145-W176 HydrophobicContact CB-CZ3 4.07Å; F145-W176 HydrophobicContact CD1-CD2 4.12Å; F145-W176 AromaticContact CD1-CE3 3.61Å; F145-W176 HydrophobicContact CD1-CE3 3.61Å; F145-W176 AromaticContact CD1-CZ3 3.99Å; F145-W176 HydrophobicContact CD1-CZ3 3.99Å; F145-W176 HydrophobicContact CE1-CE3 4.44Å; F145-W176 HydrophobicContact CG-CE3 4.32Å; H147-W176 AromaticContact CE1-CZ2 3.88Å; H147-W176 AromaticContact CE1-NE1 3.97Å; H147-W176 AromaticContact NE2-CE2 3.8Å; H147-W176 AromaticContact NE2-CZ2 3.42Å; H147-W176 WeakPolarHBondContact NE2-CZ2 3.49Å; H147-W176 AromaticContact NE2-NE1 3.67Å; Y163-W176 VanDerWaalsContact CA-O 3.25Å; Y163-W176 WeakPolarHBondContact CA-O 3.28Å; Y163-W176 WeakPolarHBondContact CD1-O 3.45Å; F164-W176 HydrophobicContact CD1-CB 3.67Å; F164-W176 HydrophobicContact CD1-CG 4.36Å; F164-W176 AromaticContact CD2-CD1 3.97Å; F164-W176 HydrophobicContact CE1-CB 3.26Å; F164-W176 AromaticContact CE1-CG 3.69Å; F164-W176 HydrophobicContact CE1-CG 3.69Å; F164-W176 HydrophobicContact CE2-CB 4.16Å; F164-W176 AromaticContact CE2-CD1 3.33Å; F164-W176 AromaticContact CE2-CG 3.82Å; F164-W176 HydrophobicContact CE2-CG 3.82Å; F164-W176 AromaticContact CE2-NE1 3.89Å; F164-W176 HydrophobicContact CG-CB 4.28Å; F164-W176 HydrophobicContact CZ-CB 3.54Å; F164-W176 AromaticContact CZ-CD1 3.38Å; F164-W176 HydrophobicContact CZ-CD2 4.01Å; F164-W176 AromaticContact CZ-CG 3.36Å; F164-W176 HydrophobicContact CZ-CG 3.36Å; F164-W176 AromaticContact CZ-NE1 3.97Å; F164-W176 PolarHBondContact N-O 3.15Å; F164-W176 PolarHBondContact O-N 3.09Å; S166-W176 PolarHBondContact OG-NE1 2.71Å; R174-W176 HydrophobicContact CB-CZ2 4.39Å; W176-K182 WeakPolarHBondContact CA-O 3.32Å; W176-V183 HydrophobicContact CD2-CG2 3.9Å; W176-V183 HydrophobicContact CE3-CB 4.47Å; W176-V183 HydrophobicContact CE3-CG2 3.65Å; W176-V183 HydrophobicContact CH2-CG2 3.37Å; W176-V183 HydrophobicContact CZ2-CG2 3.63Å; W176-V183 HydrophobicContact CZ3-CG2 3.38Å
177L97.8Very high97.7Very high17 Ų1748.6 Ų48.69%0.08924%0.238CC..EExtended strand (participates in β ladder)trans-105.7112.9164.9176.660.2000108.8R162 Y163 P179 E180 K181 K182 V184R162-L177 HydrophobicContact CB-CD1 4.03Å; Y163-L177 HydrophobicContact CD1-CB 4.36Å; Y163-L177 HydrophobicContact CD1-CD1 4.27Å; Y163-L177 HydrophobicContact CD2-CD1 4.49Å; Y163-L177 HydrophobicContact CE1-CB 4.09Å; Y163-L177 HydrophobicContact CE1-CD1 3.82Å; Y163-L177 HydrophobicContact CE1-CG 4.43Å; Y163-L177 HydrophobicContact CE2-CD1 4.04Å; L177-P179 HydrophobicContact CD1-CG 4.46Å; L177-E180 HydrophobicContact CD2-CB 4.07Å; L177-E180 VanDerWaalsContact CD2-CD 3.47Å; L177-E180 HydrophobicContact CD2-CG 3.72Å; L177-E180 VanDerWaalsContact CD2-OE1 3.31Å; L177-E180 WeakPolarHBondContact CD2-OE1 3.19Å; L177-E180 HydrophobicContact CG-CB 4.18Å; L177-E180 HydrophobicContact CG-CG 4.22Å; L177-E180 PolarHBondContact O-N 3.04Å; L177-K181 PolarHBondContact O-N 2.64Å; L177-K182 PolarHBondContact N-O 3.34Å; L177-K182 PolarHBondContact O-N 2.89Å; L177-V184 HydrophobicContact CB-CG2 3.44Å; L177-V184 VanDerWaalsContact CB-CG2 3.44Å; L177-V184 HydrophobicContact CD2-CG2 4.49Å
178I97.7Very high97.6Very high19 Ų1952.9 Ų52.910%0.09726%0.258CS..THydrogen-bonded Turntrans-63.1-51.1-171.4-67.8171.1000112.7L133 F145 F156 D161 R162 F164 E180 K181L133-I178 HydrophobicContact CD1-CD1 4.4Å; L133-I178 HydrophobicContact CD2-CG2 3.58Å; F145-I178 HydrophobicContact CZ-CB 4.36Å; F145-I178 HydrophobicContact CZ-CG1 4.05Å; F145-I178 HydrophobicContact CZ-CG2 4.26Å; F156-I178 HydrophobicContact CD1-CD1 4.39Å; F156-I178 HydrophobicContact CE1-CD1 3.55Å; F156-I178 HydrophobicContact CZ-CD1 4.31Å; D161-I178 WeakPolarHBondContact O-CD1 3Å; R162-I178 WeakPolarHBondContact O-CB 3.49Å; R162-I178 WeakPolarHBondContact O-CG1 3.42Å; R162-I178 PolarHBondContact O-N 3.42Å; F164-I178 HydrophobicContact CD1-CD1 3.85Å; F164-I178 HydrophobicContact CD1-CG1 3.58Å; F164-I178 HydrophobicContact CE1-CD1 4.47Å; F164-I178 HydrophobicContact CE1-CG1 3.84Å; I178-E180 PolarHBondContact O-N 3.26Å; I178-K181 PolarHBondContact O-N 2.97Å
179P95.9Very high97.5Very high91 Ų9153.6 Ų53.659%0.59126%0.262SS*.THydrogen-bonded Turntrans-59.6-33.5-176.6-25.236.1000113.2R162 L177R162-P179 HydrophobicContact CB-CG 4.43Å; R162-P179 HydrophobicContact CG-CG 4.32Å; L177-P179 HydrophobicContact CD1-CG 4.46Å
180E96.2Very high97.3Very high114 Ų11456.6 Ų56.653%0.53328%0.278SS..THydrogen-bonded Turntrans-90-10.5179.7-66.1-170.4-151.200113.7L177 I178 K182L177-E180 HydrophobicContact CD2-CB 4.07Å; L177-E180 VanDerWaalsContact CD2-CD 3.47Å; L177-E180 HydrophobicContact CD2-CG 3.72Å; L177-E180 VanDerWaalsContact CD2-OE1 3.31Å; L177-E180 WeakPolarHBondContact CD2-OE1 3.19Å; L177-E180 HydrophobicContact CG-CB 4.18Å; L177-E180 HydrophobicContact CG-CG 4.22Å; L177-E180 PolarHBondContact O-N 3.04Å; I178-E180 PolarHBondContact O-N 3.26Å; E180-K182 HydrophobicContact CB-CB 4.32Å; E180-K182 HydrophobicContact CB-CD 4.28Å; E180-K182 HydrophobicContact CB-CG 4.41Å; E180-K182 WeakPolarHBondContact O-CG 3.29Å; E180-K182 PolarHBondContact O-N 3.28Å
181K96Very high96.9Very high120 Ų12064.5 Ų64.552%0.52231%0.314SS..THydrogen-bonded Turntrans54.833.9-175.2-56174.6179.6177.80113.2C143 F145 L177 I178C143-K181 WeakPolarHBondContact SG-CE 3.42Å; F145-K181 HydrophobicContact CE1-CB 4.45Å; L177-K181 PolarHBondContact O-N 2.64Å; I178-K181 PolarHBondContact O-N 2.97Å
182K96.1Very high96.4Very high125 Ų12567.5 Ų67.554%0.54335%0.345SS..EExtended strand (participates in β ladder)trans-121.3149.9-174.1-76.1174.1-172175.20112.3W176 L177 E180W176-K182 WeakPolarHBondContact CA-O 3.32Å; L177-K182 PolarHBondContact N-O 3.34Å; L177-K182 PolarHBondContact O-N 2.89Å; E180-K182 HydrophobicContact CB-CB 4.32Å; E180-K182 HydrophobicContact CB-CD 4.28Å; E180-K182 HydrophobicContact CB-CG 4.41Å; E180-K182 WeakPolarHBondContact O-CG 3.29Å; E180-K182 PolarHBondContact O-N 3.28Å
183V98Very high96.2Very high51 Ų5166.9 Ų66.931%0.30934%0.343SS..EExtended strand (participates in β ladder)trans-74.3121.9164.3-1780000107.4R174 W176 N185 W186R174-V183 HydrophobicContact CB-CG1 4.2Å; R174-V183 HydrophobicContact CG-CG1 4.28Å; R174-V183 HydrophobicContact CG-CG2 4.48Å; W176-V183 HydrophobicContact CD2-CG2 3.9Å; W176-V183 HydrophobicContact CE3-CB 4.47Å; W176-V183 HydrophobicContact CE3-CG2 3.65Å; W176-V183 HydrophobicContact CH2-CG2 3.37Å; W176-V183 HydrophobicContact CZ2-CG2 3.63Å; W176-V183 HydrophobicContact CZ3-CG2 3.38Å; V183-N185 VanDerWaalsContact CG1-O 3.29Å; V183-N185 WeakPolarHBondContact CG1-O 3.41Å; V183-W186 HydrophobicContact CG1-CB 4.03Å; V183-W186 HydrophobicContact CG1-CG 4.47Å
184V97.2Very high96.1Very high64 Ų6469.5 Ų69.539%0.38836%0.357SS..EExtended strand (participates in β ladder)trans-83-51.2175.2178.20000109.5Y163 L175 L177Y163-V184 HydrophobicContact CE1-CG2 4.09Å; L175-V184 PolarHBondContact O-N 3.02Å; L177-V184 HydrophobicContact CB-CG2 3.44Å; L177-V184 VanDerWaalsContact CB-CG2 3.44Å; L177-V184 HydrophobicContact CD2-CG2 4.49Å
185N97.9Very high96.1Very high54 Ų5468.5 Ų68.529%0.28935%0.353SS..EExtended strand (participates in β ladder)trans-139153.2177.9-74.5-36000109.8L175 V183 D222 K223 L224L175-N185 HydrophobicContact CB-CB 4.41Å; L175-N185 PolarHBondContact N-O 2.98Å; L175-N185 PolarHBondContact O-N 2.92Å; V183-N185 VanDerWaalsContact CG1-O 3.29Å; V183-N185 WeakPolarHBondContact CG1-O 3.41Å; N185-D222 PolarHBondContact ND2-O 2.95Å; N185-K223 WeakPolarHBondContact ND2-CA 3.46Å; N185-L224 HydrophobicContact CB-CD1 4.32Å; N185-L224 HydrophobicContact CB-CG 4.45Å
186W97.9Very high96.1Very high142 Ų14268.5 Ų68.554%0.53835%0.353SS..EExtended strand (participates in β ladder)trans-145.9157.5172.264.2-84.4000110.2K172 I173 R174 V183 E188K172-W186 HydrophobicContact CD-CE3 4.27Å; K172-W186 HydrophobicContact CD-CZ3 4.44Å; K172-W186 HydrophobicContact CG-CE3 4.41Å; I173-W186 CarbonylContact O-C 3.58Å; I173-W186 WeakPolarHBondContact O-CA 3.47Å; I173-W186 WeakPolarHBondContact O-CB 3.47Å; R174-W186 HydrophobicContact CG-CB 3.92Å; V183-W186 HydrophobicContact CG1-CB 4.03Å; V183-W186 HydrophobicContact CG1-CG 4.47Å; W186-E188 HydrophobicContact CE3-CB 4.28Å; W186-E188 HydrophobicContact CZ3-CB 3.78Å
187N97.8Very high96.1Very high48 Ų4867.9 Ų67.926%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-138.8158168.7-152.6-26.4000109.1K172 I173 Y219 L224K172-N187 WeakPolarHBondContact CA-O 3.45Å; I173-N187 PolarHBondContact N-O 3.11Å; I173-N187 PolarHBondContact O-N 2.79Å; N187-Y219 HydrophobicContact CB-CD1 4.49Å; N187-Y219 HydrophobicContact CB-CE1 4.14Å; N187-Y219 VanDerWaalsContact ND2-CE1 3.3Å; N187-Y219 WeakPolarHBondContact ND2-CE1 3.24Å; N187-L224 HydrophobicContact CB-CB 4.14Å; N187-L224 PolarHBondContact ND2-O 3.41Å
188E97.5Very high96.2Very high91 Ų9167.3 Ų67.343%0.42535%0.349SS..EExtended strand (participates in β ladder)trans-126.4138.7-175.9-178.6161.4-154.200109.5K172 W186K172-E188 WeakPolarHBondContact CE-OE1 3.34Å; K172-E188 WeakPolarHBondContact CE-OE2 3.23Å; K172-E188 HydrophobicContact CG-CB 4.02Å; K172-E188 HydrophobicContact CG-CG 4.04Å; K172-E188 IonicContact NZ-OE1 2.87Å; K172-E188 IonicContact NZ-OE2 2.84Å; W186-E188 HydrophobicContact CE3-CB 4.28Å; W186-E188 HydrophobicContact CZ3-CB 3.78Å
189L96.6Very high96.2Very high15 Ų1567.3 Ų67.38%0.07935%0.35CS..PPolyproline II helixtrans-77.3165.7175.6-58.9-177.8000110.5G171 I173 Q193 V195 T211 I217 Y219G171-L189 WeakPolarHBondContact O-CG 3.22Å; G171-L189 PolarHBondContact O-N 2.71Å; I173-L189 HydrophobicContact CD1-CD2 4.18Å; L189-Q193 HydrophobicContact CB-CB 3.61Å; L189-Q193 HydrophobicContact CB-CG 4.43Å; L189-Q193 HydrophobicContact CD1-CB 3.91Å; L189-Q193 HydrophobicContact CG-CB 4.43Å; L189-V195 HydrophobicContact CD1-CG2 3.66Å; L189-V195 HydrophobicContact CG-CG2 4.2Å; L189-T211 HydrophobicContact CD1-CG2 3.62Å; L189-I217 HydrophobicContact CD2-CD1 3.61Å; L189-Y219 VanDerWaalsContact CD2-OH 3.3Å; L189-Y219 WeakPolarHBondContact CD2-OH 3.37Å
190D93.2Very high96.3Very high102 Ų10263.4 Ų63.455%0.54532%0.323SS..SBendtrans-51.4155.4170.3-53.7-32.7000111.3G192 Q193 R215D190-G192 PolarHBondContact O-N 3.38Å; D190-Q193 HydrophobicContact CB-CG 4.1Å; D190-Q193 WeakPolarHBondContact O-CB 3.43Å; D190-Q193 WeakPolarHBondContact O-CG 3.5Å; D190-Q193 PolarHBondContact O-N 2.8Å; D190-Q193 VanDerWaalsContact O-N 3.08Å; D190-R215 IonicContact OD2-NH1 3.63Å; D190-R215 PolarHBondContact OD2-NH1 3.36Å
191E89.6Confident96.3Very high197 Ų19758 Ų5892%0.92130%0.298SS*.THydrogen-bonded Turntrans-53136.7-176.3-166.2176.9179.200113.2Q193E191-Q193 PolarHBondContact O-N 3.29Å
192G87.9Confident96.2Very high68 Ų6856.4 Ų56.470%0.70129%0.291SS*.THydrogen-bonded Turntrans73.44.2-179.100000115.1D190D190-G192 PolarHBondContact O-N 3.38Å
193Q93.4Very high96Very high39 Ų3956.1 Ų56.118%0.18230%0.296CS..  trans-87.1135.8174.6-59.9-52.6-48.400111.7G171 L189 D190 E191 N213G171-Q193 VanDerWaalsContact CA-O 3.24Å; G171-Q193 WeakPolarHBondContact CA-O 3.38Å; L189-Q193 HydrophobicContact CB-CB 3.61Å; L189-Q193 HydrophobicContact CB-CG 4.43Å; L189-Q193 HydrophobicContact CD1-CB 3.91Å; L189-Q193 HydrophobicContact CG-CB 4.43Å; D190-Q193 HydrophobicContact CB-CG 4.1Å; D190-Q193 WeakPolarHBondContact O-CB 3.43Å; D190-Q193 WeakPolarHBondContact O-CG 3.5Å; D190-Q193 PolarHBondContact O-N 2.8Å; D190-Q193 VanDerWaalsContact O-N 3.08Å; E191-Q193 PolarHBondContact O-N 3.29Å; Q193-N213 VanDerWaalsContact CD-ND2 3.31Å; Q193-N213 PolarHBondContact NE2-ND2 2.88Å; Q193-N213 PolarHBondContact OE1-ND2 2.97Å; Q193-N213 PolarHBondContact OE1-OD1 2.87Å; Q193-N213 VanDerWaalsContact OE1-OD1 3.11Å
194L97.2Very high95.9Very high56 Ų5653.8 Ų53.829%0.29328%0.282SS..  trans-112.9135.3-179.1-44.5174.3000109.6L169 T211 Y212L169-L194 HydrophobicContact CD2-CB 3.88Å; L169-L194 HydrophobicContact CD2-CD1 4.28Å; L169-L194 WeakPolarHBondContact O-CD2 3.37Å; L194-T211 VanDerWaalsContact O-CA 3.29Å; L194-T211 WeakPolarHBondContact O-CA 3.28Å; L194-Y212 HydrophobicContact CD1-CG 4.32Å; L194-Y212 PolarHBondContact O-N 2.89Å
195V98.4Very high95.8Very high0 Ų054.9 Ų54.90%028%0.283CS..EExtended strand (participates in β ladder)trans-81126.6171.9-175.80000108.6T152 S168 I173 L189 V198 V209T152-V195 PolarHBondContact OG1-O 3.15Å; T152-V195 VanDerWaalsContact OG1-O 3.11Å; S168-V195 WeakPolarHBondContact O-CB 3.32Å; S168-V195 PolarHBondContact O-N 3.32Å; I173-V195 HydrophobicContact CG1-CG2 3.82Å; L189-V195 HydrophobicContact CD1-CG2 3.66Å; L189-V195 HydrophobicContact CG-CG2 4.2Å; V195-V198 HydrophobicContact CG1-CG1 3.8Å; V195-V209 HydrophobicContact CB-CG1 4.48Å; V195-V209 HydrophobicContact CG1-CG1 3.63Å; V195-V209 HydrophobicContact CG2-CG1 4.2Å
196T98.2Very high95.8Very high10 Ų1052.9 Ų52.96%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-115-30.2-177.454.70000113T152 G210 Y212 K244 I245T152-T196 WeakPolarHBondContact CB-O 3.42Å; T152-T196 VanDerWaalsContact OG1-C 3.26Å; T152-T196 WeakPolarHBondContact OG1-CA 3.38Å; T152-T196 PolarHBondContact OG1-O 3.08Å; T196-G210 PolarHBondContact N-O 3.31Å; T196-G210 PolarHBondContact OG1-O 3.46Å; T196-Y212 HydrophobicContact CG2-CD2 4.31Å; T196-K244 HydrophobicContact CG2-CG 4.19Å; T196-I245 VanDerWaalsContact CB-O 3.25Å; T196-I245 WeakPolarHBondContact CB-O 3.35Å; T196-I245 PolarHBondContact OG1-O 2.85Å
197A98.5Very high95.8Very high2 Ų246.1 Ų46.12%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-144.6146.4178.900000111.1G210 I245 L248A197-G210 PolarHBondContact N-O 3.46Å; A197-G210 PolarHBondContact O-N 2.83Å; A197-I245 HydrophobicContact CB-CG2 4.22Å; A197-L248 HydrophobicContact CB-CB 4.38Å; A197-L248 HydrophobicContact CB-CD1 4.06Å; A197-L248 HydrophobicContact CB-CG 3.83Å
198V98.6Very high95.8Very high5 Ų543.8 Ų43.83%0.0323%0.234CC..EExtended strand (participates in β ladder)trans-136.1146.3172.6-62.40000110S153 I165 V195 A208 V209S153-V198 WeakPolarHBondContact O-CG2 3.26Å; S153-V198 PolarHBondContact OG-N 3.17Å; S153-V198 PolarHBondContact OG-O 3.46Å; I165-V198 HydrophobicContact CG2-CB 4.25Å; I165-V198 HydrophobicContact CG2-CG2 3.89Å; V195-V198 HydrophobicContact CG1-CG1 3.8Å; V198-A208 WeakPolarHBondContact CA-O 3.47Å; V198-V209 HydrophobicContact CG1-CG1 4.36Å; V198-V209 HydrophobicContact CG1-CG2 4.29Å
199T98.3Very high95.9Very high19 Ų1939.5 Ų39.512%0.11721%0.214CC..EExtended strand (participates in β ladder)trans-155.8155.2168.5-166.40000110.9V201 V207 A208 L248 L255T199-V201 HydrophobicContact CG2-CG1 4.08Å; T199-V207 CarbonylContact O-C 3.47Å; T199-V207 WeakPolarHBondContact O-CA 3.46Å; T199-A208 HydrophobicContact CG2-CB 4.15Å; T199-A208 PolarHBondContact N-O 2.73Å; T199-A208 PolarHBondContact O-N 2.72Å; T199-L248 HydrophobicContact CG2-CB 3.57Å; T199-L248 HydrophobicContact CG2-CD1 4.37Å; T199-L255 HydrophobicContact CG2-CD1 4.06Å
200F97.8Very high96Very high9 Ų938.8 Ų38.84%0.03921%0.21CC..EExtended strand (participates in β ladder)trans-80.9144169.6-73.6-80.5000110.1A155 F156 V158 I165 L206 V207 S250A155-F200 HydrophobicContact CB-CD2 3.9Å; A155-F200 HydrophobicContact CB-CE2 4.04Å; F156-F200 VanDerWaalsContact O-CD2 3.25Å; F156-F200 WeakPolarHBondContact O-CD2 3.47Å; F156-F200 VanDerWaalsContact O-CE2 3.22Å; F156-F200 WeakPolarHBondContact O-CE2 3.5Å; V158-F200 HydrophobicContact CG2-CB 3.76Å; V158-F200 HydrophobicContact CG2-CG 4.24Å; I165-F200 HydrophobicContact CB-CE2 4.17Å; I165-F200 HydrophobicContact CB-CZ 3.98Å; I165-F200 HydrophobicContact CG2-CD2 4.42Å; I165-F200 HydrophobicContact CG2-CE2 3.71Å; I165-F200 HydrophobicContact CG2-CZ 3.98Å; F200-L206 WeakPolarHBondContact CA-O 3.18Å; F200-V207 HydrophobicContact CD1-CG2 3.72Å; F200-V207 HydrophobicContact CE1-CG2 3.51Å; F200-V207 HydrophobicContact CZ-CG2 4.26Å; F200-S250 PolarHBondContact O-OG 2.85Å
201V97.2Very high96.2Very high2 Ų234 Ų341%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-133.5168.8175.3-57.40000110.2T199 N203 G204 E205 L206 A208 F218 L255 V269T199-V201 HydrophobicContact CG2-CG1 4.08Å; V201-N203 PolarHBondContact O-N 3.36Å; V201-G204 PolarHBondContact O-N 2.98Å; V201-E205 PolarHBondContact O-N 2.92Å; V201-L206 HydrophobicContact CG2-CB 3.64Å; V201-L206 PolarHBondContact N-O 2.94Å; V201-L206 PolarHBondContact O-N 2.84Å; V201-A208 HydrophobicContact CG1-CB 3.89Å; V201-F218 HydrophobicContact CG2-CD1 4.07Å; V201-F218 HydrophobicContact CG2-CE1 4.09Å; V201-L255 HydrophobicContact CG1-CD1 3.96Å; V201-V269 HydrophobicContact CB-CG1 4.47Å; V201-V269 HydrophobicContact CG2-CG1 3.97Å
202K94Very high96.5Very high85 Ų8530.9 Ų30.937%0.3717%0.166SC..G310 helixtrans52.253.2178.6-162.3-173.8179.4-145.60111.6G204 E205 L206K202-G204 PolarHBondContact O-N 2.96Å; K202-G204 VanDerWaalsContact O-N 3.12Å; K202-E205 HydrophobicContact CB-CB 4.41Å; K202-E205 HydrophobicContact CD-CB 4.35Å; K202-E205 VanDerWaalsContact CD-OE2 3.26Å; K202-E205 WeakPolarHBondContact CD-OE2 3.32Å; K202-E205 WeakPolarHBondContact CE-OE2 3.36Å; K202-E205 IonicContact NZ-OE2 3.59Å; K202-E205 PolarHBondContact NZ-OE2 2.81Å; K202-E205 WeakPolarHBondContact O-CB 3.5Å; K202-E205 WeakPolarHBondContact O-CG 3.49Å; K202-E205 PolarHBondContact O-N 2.84Å; K202-E205 VanDerWaalsContact O-N 3.09Å; K202-L206 HydrophobicContact CD-CD1 4.49Å
203N91.5Very high96.7Very high119 Ų11928.2 Ų28.264%0.63614%0.135SC*.G310 helixtrans52.932.8-176-63.1-25.1000114.6K159 V201K159-N203 WeakPolarHBondContact CE-O 3.26Å; V201-N203 PolarHBondContact O-N 3.36Å
204G94.5Very high96.8Very high3 Ų326.3 Ų26.33%0.03113%0.127CC..G310 helixtrans81.914.7178.300000114.8V201 K202 S221V201-G204 PolarHBondContact O-N 2.98Å; K202-G204 PolarHBondContact O-N 2.96Å; K202-G204 VanDerWaalsContact O-N 3.12Å; G204-S221 WeakPolarHBondContact O-CB 3.44Å; G204-S221 PolarHBondContact O-OG 3.41Å
205E95.8Very high96.7Very high87 Ų8725.8 Ų25.841%0.40712%0.121SC..THydrogen-bonded Turntrans-74.4-31.6169.9-69.6-179.9-175.200112.6V201 K202 S221V201-E205 PolarHBondContact O-N 2.92Å; K202-E205 HydrophobicContact CB-CB 4.41Å; K202-E205 HydrophobicContact CD-CB 4.35Å; K202-E205 VanDerWaalsContact CD-OE2 3.26Å; K202-E205 WeakPolarHBondContact CD-OE2 3.32Å; K202-E205 WeakPolarHBondContact CE-OE2 3.36Å; K202-E205 IonicContact NZ-OE2 3.59Å; K202-E205 PolarHBondContact NZ-OE2 2.81Å; K202-E205 WeakPolarHBondContact O-CB 3.5Å; K202-E205 WeakPolarHBondContact O-CG 3.49Å; K202-E205 PolarHBondContact O-N 2.84Å; K202-E205 VanDerWaalsContact O-N 3.09Å; E205-S221 PolarHBondContact O-N 2.85Å; E205-S221 PolarHBondContact O-OG 3.02Å; E205-S221 VanDerWaalsContact O-OG 3.09Å
206L97.7Very high96.7Very high11 Ų1125.8 Ų25.86%0.05812%0.121CC..EExtended strand (participates in β ladder)trans-124.9156.7-179.8-58.6177000110.6F200 V201 K202 Y219 T220 H227F200-L206 WeakPolarHBondContact CA-O 3.18Å; V201-L206 HydrophobicContact CG2-CB 3.64Å; V201-L206 PolarHBondContact N-O 2.94Å; V201-L206 PolarHBondContact O-N 2.84Å; K202-L206 HydrophobicContact CD-CD1 4.49Å; L206-Y219 CarbonylContact C-O 3.53Å; L206-Y219 VanDerWaalsContact CA-O 3.23Å; L206-Y219 WeakPolarHBondContact CA-O 3.33Å; L206-T220 HydrophobicContact CD2-CG2 4.38Å; L206-H227 HydrophobicContact CD2-CB 4.18Å
207V98.3Very high96.7Very high0 Ų025.9 Ų25.90%012%0.121CC..EExtended strand (participates in β ladder)trans-111.8123.2168.9179.30000107.7I165 T199 F200 V209 F218 Y219 L224I165-V207 HydrophobicContact CD1-CG2 4.47Å; I165-V207 HydrophobicContact CG1-CG1 4.15Å; T199-V207 CarbonylContact O-C 3.47Å; T199-V207 WeakPolarHBondContact O-CA 3.46Å; F200-V207 HydrophobicContact CD1-CG2 3.72Å; F200-V207 HydrophobicContact CE1-CG2 3.51Å; F200-V207 HydrophobicContact CZ-CG2 4.26Å; V207-V209 HydrophobicContact CG1-CG2 3.88Å; V207-F218 CarbonylContact O-C 3.55Å; V207-F218 VanDerWaalsContact O-CA 3.31Å; V207-F218 WeakPolarHBondContact O-CA 3.37Å; V207-Y219 PolarHBondContact N-O 3.44Å; V207-Y219 PolarHBondContact O-N 2.96Å; V207-L224 HydrophobicContact CG2-CD2 4.34Å
208A98.7Very high96.7Very high0 Ų025.9 Ų25.90%012%0.12CC..EExtended strand (participates in β ladder)trans-90.3132.9168.300000109.4V198 T199 V201 F218 L248 L255V198-A208 WeakPolarHBondContact CA-O 3.47Å; T199-A208 HydrophobicContact CG2-CB 4.15Å; T199-A208 PolarHBondContact N-O 2.73Å; T199-A208 PolarHBondContact O-N 2.72Å; V201-A208 HydrophobicContact CG1-CB 3.89Å; A208-F218 HydrophobicContact CB-CD1 4Å; A208-F218 HydrophobicContact CB-CE1 3.79Å; A208-L248 HydrophobicContact CB-CD1 4.16Å; A208-L248 WeakPolarHBondContact O-CD1 3.4Å; A208-L255 HydrophobicContact CB-CD1 4.26Å; A208-L255 HydrophobicContact CB-CD2 4.11Å
209V98.7Very high96.7Very high0 Ų026.1 Ų26.10%012%0.121CC..EExtended strand (participates in β ladder)trans-126.3117.3-175.6-178.80000109I173 V195 V198 V207 C216 I217 Y219I173-V209 HydrophobicContact CD1-CB 4.3Å; I173-V209 HydrophobicContact CD1-CG1 3.87Å; I173-V209 HydrophobicContact CD1-CG2 3.83Å; I173-V209 HydrophobicContact CG1-CG1 3.84Å; I173-V209 HydrophobicContact CG1-CG2 4Å; I173-V209 HydrophobicContact CG2-CG2 4.24Å; V195-V209 HydrophobicContact CB-CG1 4.48Å; V195-V209 HydrophobicContact CG1-CG1 3.63Å; V195-V209 HydrophobicContact CG2-CG1 4.2Å; V198-V209 HydrophobicContact CG1-CG1 4.36Å; V198-V209 HydrophobicContact CG1-CG2 4.29Å; V207-V209 HydrophobicContact CG1-CG2 3.88Å; V209-C216 CarbonylContact O-C 3.43Å; V209-C216 VanDerWaalsContact O-CA 3.25Å; V209-C216 WeakPolarHBondContact O-CA 3.44Å; V209-I217 PolarHBondContact N-O 3.1Å; V209-I217 PolarHBondContact O-N 3.02Å; V209-Y219 HydrophobicContact CB-CD2 4.39Å; V209-Y219 HydrophobicContact CB-CE2 4.19Å; V209-Y219 HydrophobicContact CG2-CD2 3.71Å; V209-Y219 HydrophobicContact CG2-CE2 3.91Å
210G98.4Very high96.7Very high0 Ų026.5 Ų26.50%012%0.123CC..EExtended strand (participates in β ladder)trans-93.2137176.300000110.9T196 A197T196-G210 PolarHBondContact N-O 3.31Å; T196-G210 PolarHBondContact OG1-O 3.46Å; A197-G210 PolarHBondContact N-O 3.46Å; A197-G210 PolarHBondContact O-N 2.83Å
211T97.8Very high96.6Very high1 Ų127.2 Ų27.21%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-108.6163.8179.8710000112.8L189 L194 N213 G214 R215 I217 I245L189-T211 HydrophobicContact CD1-CG2 3.62Å; L194-T211 VanDerWaalsContact O-CA 3.29Å; L194-T211 WeakPolarHBondContact O-CA 3.28Å; T211-N213 PolarHBondContact O-N 3.01Å; T211-N213 PolarHBondContact OG1-N 2.66Å; T211-N213 PolarHBondContact OG1-OD1 3.01Å; T211-G214 PolarHBondContact O-N 3.09Å; T211-G214 PolarHBondContact OG1-N 3.37Å; T211-R215 HydrophobicContact CG2-CB 4.18Å; T211-R215 WeakPolarHBondContact CG2-O 3.24Å; T211-R215 PolarHBondContact N-O 3.34Å; T211-R215 PolarHBondContact OG1-N 3.37Å; T211-R215 PolarHBondContact OG1-O 3.09Å; T211-R215 VanDerWaalsContact OG1-O 3.1Å; T211-I217 HydrophobicContact CG2-CD1 4.23Å; T211-I245 PolarHBondContact O-N 3.13Å; T211-I245 VanDerWaalsContact O-N 3.15Å
212Y95.5Very high96.5Very high132 Ų13231.4 Ų31.452%0.51815%0.152SC..THydrogen-bonded Turntrans-63.2-27.3173.5-174.3-94.8000113.9L194 T196 K244L194-Y212 HydrophobicContact CD1-CG 4.32Å; L194-Y212 PolarHBondContact O-N 2.89Å; T196-Y212 HydrophobicContact CG2-CD2 4.31Å; Y212-K244 HydrophobicContact CD2-CB 4.2Å; Y212-K244 HydrophobicContact CD2-CD 3.62Å; Y212-K244 HydrophobicContact CD2-CG 3.76Å; Y212-K244 HydrophobicContact CE2-CB 4.4Å; Y212-K244 HydrophobicContact CE2-CD 3.69Å; Y212-K244 HydrophobicContact CE2-CG 4.2Å; Y212-K244 WeakPolarHBondContact O-CA 3.24Å; Y212-K244 PolarHBondContact O-N 2.84Å
213N92.7Very high96.6Very high12 Ų1234 Ų346%0.06416%0.163CC..THydrogen-bonded Turntrans-95.52.2-177.778.1-16.2000114.7Q193 T211 R215 R233 M242 C243Q193-N213 VanDerWaalsContact CD-ND2 3.31Å; Q193-N213 PolarHBondContact NE2-ND2 2.88Å; Q193-N213 PolarHBondContact OE1-ND2 2.97Å; Q193-N213 PolarHBondContact OE1-OD1 2.87Å; Q193-N213 VanDerWaalsContact OE1-OD1 3.11Å; T211-N213 PolarHBondContact O-N 3.01Å; T211-N213 PolarHBondContact OG1-N 2.66Å; T211-N213 PolarHBondContact OG1-OD1 3.01Å; N213-R215 PolarHBondContact OD1-N 2.87Å; N213-R233 WeakPolarHBondContact O-CD 3.46Å; N213-R233 WeakPolarHBondContact O-CG 3.35Å; N213-M242 HydrophobicContact CB-SD 3.84Å; N213-C243 CarbonylContact C-O 3.58Å
214G95Very high96.9Very high0 Ų028.4 Ų28.40%013%0.133CC..SBendtrans93.723.1173.900000115T211 L232 C243T211-G214 PolarHBondContact O-N 3.09Å; T211-G214 PolarHBondContact OG1-N 3.37Å; G214-L232 WeakPolarHBondContact O-CA 3.49Å; G214-L232 WeakPolarHBondContact O-CB 3.31Å; G214-L232 PolarHBondContact O-N 3.18Å; G214-C243 WeakPolarHBondContact CA-O 3.29Å; G214-C243 PolarHBondContact N-O 3.36Å
215R96.3Very high97Very high45 Ų4530.8 Ų30.817%0.1715%0.149CC..EExtended strand (participates in β ladder)trans-95.3136.5166.5-65.7177.6173.4169.8-5109.3D190 T211 N213 I217 R233 I245D190-R215 IonicContact OD2-NH1 3.63Å; D190-R215 PolarHBondContact OD2-NH1 3.36Å; T211-R215 HydrophobicContact CG2-CB 4.18Å; T211-R215 WeakPolarHBondContact CG2-O 3.24Å; T211-R215 PolarHBondContact N-O 3.34Å; T211-R215 PolarHBondContact OG1-N 3.37Å; T211-R215 PolarHBondContact OG1-O 3.09Å; T211-R215 VanDerWaalsContact OG1-O 3.1Å; N213-R215 PolarHBondContact OD1-N 2.87Å; R215-I217 HydrophobicContact CB-CD1 4.46Å; R215-I217 HydrophobicContact CB-CG1 4.23Å; R215-R233 VanDerWaalsContact NE-NH2 3.1Å; R215-R233 VanDerWaalsContact NH2-NH2 3.16Å; R215-I245 WeakPolarHBondContact O-CD1 3.31Å
216C98.1Very high97.1Very high0 Ų032.7 Ų32.70%015%0.153CC..EExtended strand (participates in β ladder)trans-111110.8165.8-1740000108V209 Q229 I230 I245 I257V209-C216 CarbonylContact O-C 3.43Å; V209-C216 VanDerWaalsContact O-CA 3.25Å; V209-C216 WeakPolarHBondContact O-CA 3.44Å; C216-Q229 CarbonylContact O-C 3.54Å; C216-Q229 VanDerWaalsContact O-CA 3.27Å; C216-Q229 WeakPolarHBondContact O-CA 3.23Å; C216-I230 HydrophobicContact CB-CB 4.27Å; C216-I230 PolarHBondContact N-O 3.41Å; C216-I230 PolarHBondContact O-N 3.37Å; C216-I245 HydrophobicContact CB-CD1 3.94Å; C216-I257 HydrophobicContact CB-CD1 3.82Å
217I98.2Very high97.1Very high12 Ų1237.1 Ų37.16%0.06217%0.174CC..EExtended strand (participates in β ladder)trans-106.7136.2-173.4-55.1165.3000108.6L189 V209 T211 R215 Y219 Y226 Q229L189-I217 HydrophobicContact CD2-CD1 3.61Å; V209-I217 PolarHBondContact N-O 3.1Å; V209-I217 PolarHBondContact O-N 3.02Å; T211-I217 HydrophobicContact CG2-CD1 4.23Å; R215-I217 HydrophobicContact CB-CD1 4.46Å; R215-I217 HydrophobicContact CB-CG1 4.23Å; I217-Y219 HydrophobicContact CB-CE2 3.85Å; I217-Y219 HydrophobicContact CG2-CD2 4.09Å; I217-Y219 HydrophobicContact CG2-CE1 4.33Å; I217-Y219 HydrophobicContact CG2-CE2 3.4Å; I217-Y219 VanDerWaalsContact CG2-CE2 3.4Å; I217-Y226 HydrophobicContact CG2-CD2 3.75Å; I217-Y226 HydrophobicContact CG2-CE2 3.78Å; I217-Q229 HydrophobicContact CG1-CB 4.22Å
218F98.4Very high97.1Very high1 Ų138 Ų380%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-102.5133.3177.1-62-94.2000109.5V201 V207 A208 H227 A228 I230 L255 V269 L272V201-F218 HydrophobicContact CG2-CD1 4.07Å; V201-F218 HydrophobicContact CG2-CE1 4.09Å; V207-F218 CarbonylContact O-C 3.55Å; V207-F218 VanDerWaalsContact O-CA 3.31Å; V207-F218 WeakPolarHBondContact O-CA 3.37Å; A208-F218 HydrophobicContact CB-CD1 4Å; A208-F218 HydrophobicContact CB-CE1 3.79Å; F218-H227 HydrophobicContact CB-CB 4.19Å; F218-H227 WeakPolarHBondContact O-CB 3.48Å; F218-H227 PolarHBondContact O-N 3.45Å; F218-A228 HydrophobicContact CB-CB 4.5Å; F218-A228 HydrophobicContact CD2-CB 4.34Å; F218-A228 PolarHBondContact N-O 2.83Å; F218-A228 PolarHBondContact O-N 2.88Å; F218-I230 HydrophobicContact CE2-CD1 3.78Å; F218-I230 HydrophobicContact CE2-CG1 4.01Å; F218-I230 HydrophobicContact CZ-CD1 3.92Å; F218-L255 HydrophobicContact CE1-CD2 3.85Å; F218-L255 HydrophobicContact CZ-CD2 3.56Å; F218-V269 HydrophobicContact CE1-CG1 4.07Å; F218-L272 HydrophobicContact CD2-CD2 4.39Å; F218-L272 HydrophobicContact CE2-CD2 3.77Å; F218-L272 HydrophobicContact CZ-CD2 3.9Å
219Y98.4Very high97Very high10 Ų1042 Ų424%0.03920%0.199CC..EExtended strand (participates in β ladder)trans-122.2154.7172.6-62.9-89.4000110I173 N187 L189 L206 V207 V209 I217 L224 S225I173-Y219 HydrophobicContact CD1-CD2 3.98Å; I173-Y219 HydrophobicContact CD1-CE2 3.37Å; N187-Y219 HydrophobicContact CB-CD1 4.49Å; N187-Y219 HydrophobicContact CB-CE1 4.14Å; N187-Y219 VanDerWaalsContact ND2-CE1 3.3Å; N187-Y219 WeakPolarHBondContact ND2-CE1 3.24Å; L189-Y219 VanDerWaalsContact CD2-OH 3.3Å; L189-Y219 WeakPolarHBondContact CD2-OH 3.37Å; L206-Y219 CarbonylContact C-O 3.53Å; L206-Y219 VanDerWaalsContact CA-O 3.23Å; L206-Y219 WeakPolarHBondContact CA-O 3.33Å; V207-Y219 PolarHBondContact N-O 3.44Å; V207-Y219 PolarHBondContact O-N 2.96Å; V209-Y219 HydrophobicContact CB-CD2 4.39Å; V209-Y219 HydrophobicContact CB-CE2 4.19Å; V209-Y219 HydrophobicContact CG2-CD2 3.71Å; V209-Y219 HydrophobicContact CG2-CE2 3.91Å; I217-Y219 HydrophobicContact CB-CE2 3.85Å; I217-Y219 HydrophobicContact CG2-CD2 4.09Å; I217-Y219 HydrophobicContact CG2-CE1 4.33Å; I217-Y219 HydrophobicContact CG2-CE2 3.4Å; I217-Y219 VanDerWaalsContact CG2-CE2 3.4Å; Y219-L224 VanDerWaalsContact CD1-O 3.24Å; Y219-L224 WeakPolarHBondContact CD1-O 3.42Å; Y219-S225 CarbonylContact C-O 3.59Å; Y219-S225 VanDerWaalsContact CA-O 3.23Å; Y219-S225 WeakPolarHBondContact CA-O 3.49Å
220T97.8Very high97Very high28 Ų2842.6 Ų42.617%0.17220%0.202CC..EExtended strand (participates in β ladder)trans-65.3139.8166.457.70000110L206 D222 L224 S225L206-T220 HydrophobicContact CD2-CG2 4.38Å; T220-D222 VanDerWaalsContact C-N 3.33Å; T220-D222 VanDerWaalsContact CB-OD1 3.29Å; T220-D222 WeakPolarHBondContact CB-OD1 3.45Å; T220-D222 PolarHBondContact O-N 2.82Å; T220-D222 PolarHBondContact OG1-OD1 2.88Å; T220-L224 WeakPolarHBondContact O-CA 3.29Å; T220-L224 PolarHBondContact O-N 2.71Å; T220-S225 VanDerWaalsContact CG2-OG 3.28Å; T220-S225 WeakPolarHBondContact CG2-OG 3.36Å; T220-S225 PolarHBondContact N-O 2.98Å; T220-S225 PolarHBondContact OG1-N 2.92Å; T220-S225 PolarHBondContact OG1-O 2.99Å; T220-S225 PolarHBondContact OG1-OG 2.91Å
221S96.6Very high96.8Very high24 Ų2445.5 Ų45.517%0.16822%0.218CC..THydrogen-bonded Turntrans-73.7-23.7-174.860.30000114.2L175 G204 E205L175-S221 WeakPolarHBondContact CD2-O 3.44Å; G204-S221 WeakPolarHBondContact O-CB 3.44Å; G204-S221 PolarHBondContact O-OG 3.41Å; E205-S221 PolarHBondContact O-N 2.85Å; E205-S221 PolarHBondContact O-OG 3.02Å; E205-S221 VanDerWaalsContact O-OG 3.09Å
222D93.9Very high96.6Very high90 Ų9045.9 Ų45.948%0.48122%0.22SC..THydrogen-bonded Turntrans-80.4-52-178.564.7-32.1000111.6N185 T220N185-D222 PolarHBondContact ND2-O 2.95Å; T220-D222 VanDerWaalsContact C-N 3.33Å; T220-D222 VanDerWaalsContact CB-OD1 3.29Å; T220-D222 WeakPolarHBondContact CB-OD1 3.45Å; T220-D222 PolarHBondContact O-N 2.82Å; T220-D222 PolarHBondContact OG1-OD1 2.88Å
223K96.1Very high96.3Very high140 Ų14041.8 Ų41.861%0.60920%0.204SC*.THydrogen-bonded Turntrans-105.3-10.2-171.9-71.1177.4-172.7-178.80114.2N185 S225N185-K223 WeakPolarHBondContact ND2-CA 3.46Å; K223-S225 PolarHBondContact O-N 2.63Å
224L97.9Very high95.7Very high1 Ų146.5 Ų46.51%0.00522%0.221CC..  trans52.836.8-166.2-59.6176.1000112.1I165 I173 L175 N185 N187 V207 Y219 T220I165-L224 HydrophobicContact CD1-CD1 4Å; I165-L224 HydrophobicContact CD1-CD2 3.6Å; I165-L224 HydrophobicContact CD1-CG 4.35Å; I173-L224 HydrophobicContact CG2-CD1 4.47Å; I173-L224 HydrophobicContact CG2-CD2 4.46Å; L175-L224 HydrophobicContact CB-CD1 3.99Å; L175-L224 HydrophobicContact CB-CG 4.42Å; N185-L224 HydrophobicContact CB-CD1 4.32Å; N185-L224 HydrophobicContact CB-CG 4.45Å; N187-L224 HydrophobicContact CB-CB 4.14Å; N187-L224 PolarHBondContact ND2-O 3.41Å; V207-L224 HydrophobicContact CG2-CD2 4.34Å; Y219-L224 VanDerWaalsContact CD1-O 3.24Å; Y219-L224 WeakPolarHBondContact CD1-O 3.42Å; T220-L224 WeakPolarHBondContact O-CA 3.29Å; T220-L224 PolarHBondContact O-N 2.71Å
225S97.6Very high94.7Very high53 Ų5353.3 Ų53.337%0.37125%0.247SC..  trans-80.5138.1173.167.20000109.8Y219 T220 K223 H227Y219-S225 CarbonylContact C-O 3.59Å; Y219-S225 VanDerWaalsContact CA-O 3.23Å; Y219-S225 WeakPolarHBondContact CA-O 3.49Å; T220-S225 VanDerWaalsContact CG2-OG 3.28Å; T220-S225 WeakPolarHBondContact CG2-OG 3.36Å; T220-S225 PolarHBondContact N-O 2.98Å; T220-S225 PolarHBondContact OG1-N 2.92Å; T220-S225 PolarHBondContact OG1-O 2.99Å; T220-S225 PolarHBondContact OG1-OG 2.91Å; K223-S225 PolarHBondContact O-N 2.63Å; S225-H227 PolarHBondContact O-N 2.85Å
226Y97.9Very high93.4Very high126 Ų12653 Ų5349%0.49426%0.258SS..EExtended strand (participates in β ladder)trans-53.1136.9177.1175.9-89.8000111.1I217 Q229I217-Y226 HydrophobicContact CG2-CD2 3.75Å; I217-Y226 HydrophobicContact CG2-CE2 3.78Å; Y226-Q229 HydrophobicContact CE2-CB 4.4Å; Y226-Q229 PolarHBondContact OH-N 3.15Å
227H97.3Very high91.9Very high105 Ų10563.8 Ų63.849%0.48631%0.306SS..EExtended strand (participates in β ladder)trans-119.6-55.2178.9177.3-83.1000111.8L206 F218 S225L206-H227 HydrophobicContact CD2-CB 4.18Å; F218-H227 HydrophobicContact CB-CB 4.19Å; F218-H227 WeakPolarHBondContact O-CB 3.48Å; F218-H227 PolarHBondContact O-N 3.45Å; S225-H227 PolarHBondContact O-N 2.85Å
228A97.7Very high90.3Very high17 Ų1773 Ų7314%0.1435%0.345CS..EExtended strand (participates in β ladder)trans-161.7177.4-17900000110.8F218 L272F218-A228 HydrophobicContact CB-CB 4.5Å; F218-A228 HydrophobicContact CD2-CB 4.34Å; F218-A228 PolarHBondContact N-O 2.83Å; F218-A228 PolarHBondContact O-N 2.88Å; A228-L272 HydrophobicContact CB-CD1 3.76Å
229Q97.3Very high88.8Confident84 Ų8483 Ų8339%0.39338%0.383SS..EExtended strand (participates in β ladder)trans-147.9153.5170.269-178.2-26.300112.9C216 I217 Y226C216-Q229 CarbonylContact O-C 3.54Å; C216-Q229 VanDerWaalsContact O-CA 3.27Å; C216-Q229 WeakPolarHBondContact O-CA 3.23Å; I217-Q229 HydrophobicContact CG1-CB 4.22Å; Y226-Q229 HydrophobicContact CE2-CB 4.4Å; Y226-Q229 PolarHBondContact OH-N 3.15Å
230I97.2Very high87.1Confident13 Ų1387.6 Ų87.67%0.06740%0.404CS..EExtended strand (participates in β ladder)trans-110.6128.5165.2-65.3162.6000107.5C216 F218 L232 I257 Y267 L272C216-I230 HydrophobicContact CB-CB 4.27Å; C216-I230 PolarHBondContact N-O 3.41Å; C216-I230 PolarHBondContact O-N 3.37Å; F218-I230 HydrophobicContact CE2-CD1 3.78Å; F218-I230 HydrophobicContact CE2-CG1 4.01Å; F218-I230 HydrophobicContact CZ-CD1 3.92Å; I230-L232 HydrophobicContact CG2-CD2 3.69Å; I230-L232 HydrophobicContact CG2-CG 4.29Å; I230-I257 HydrophobicContact CD1-CD1 4.37Å; I230-Y267 HydrophobicContact CD1-CD1 3.7Å; I230-Y267 HydrophobicContact CD1-CD2 4.21Å; I230-Y267 HydrophobicContact CD1-CE1 4.03Å; I230-Y267 HydrophobicContact CD1-CG 3.8Å; I230-Y267 HydrophobicContact CG1-CD1 4.47Å; I230-Y267 HydrophobicContact CG1-CE1 4.42Å; I230-Y267 HydrophobicContact CG2-CE1 3.89Å; I230-Y267 HydrophobicContact CG2-CE2 4.27Å; I230-L272 HydrophobicContact CD1-CB 4.49Å; I230-L272 HydrophobicContact CD1-CD2 4.2Å; I230-L272 HydrophobicContact CG1-CB 4.26Å; I230-L272 HydrophobicContact CG1-CD2 4.4Å
231D95.2Very high86.1Confident61 Ų6191.8 Ų91.833%0.32643%0.425SS..EExtended strand (participates in β ladder)trans-102.1116.6174.7-163.4-14.5000110.8R233 Y235D231-R233 VanDerWaalsContact CG-NE 3.33Å; D231-R233 WeakPolarHBondContact OD1-CB 3.37Å; D231-R233 WeakPolarHBondContact OD1-CG 3.24Å; D231-R233 IonicContact OD1-CZ 3.46Å; D231-R233 PolarHBondContact OD1-N 2.82Å; D231-R233 IonicContact OD1-NE 3.53Å; D231-R233 PolarHBondContact OD1-NE 2.74Å; D231-R233 IonicContact OD1-NH2 2.89Å; D231-R233 IonicContact OD2-CZ 3.64Å; D231-R233 VanDerWaalsContact OD2-CZ 3.25Å; D231-R233 IonicContact OD2-NE 2.89Å; D231-R233 PolarHBondContact OD2-NE 2.83Å; D231-R233 IonicContact OD2-NH2 3.53Å; D231-R233 PolarHBondContact OD2-NH2 3.47Å; D231-Y235 PolarHBondContact OD2-OH 2.95Å
232L93.8Very high85.6Confident10 Ų1096 Ų965%0.05244%0.443CS..  trans-95.9-3.8178.3-53.4178.3000112.7G214 I230 I245 I257 C259 Y267G214-L232 WeakPolarHBondContact O-CA 3.49Å; G214-L232 WeakPolarHBondContact O-CB 3.31Å; G214-L232 PolarHBondContact O-N 3.18Å; I230-L232 HydrophobicContact CG2-CD2 3.69Å; I230-L232 HydrophobicContact CG2-CG 4.29Å; L232-I245 HydrophobicContact CD1-CD1 4.08Å; L232-I245 HydrophobicContact CD1-CG1 4.16Å; L232-I257 HydrophobicContact CD1-CD1 4.42Å; L232-I257 HydrophobicContact CD1-CG2 3.8Å; L232-C259 VanDerWaalsContact CD1-SG 3.59Å; L232-Y267 HydrophobicContact CD2-CE2 4.15Å; L232-Y267 WeakPolarHBondContact CD2-OH 3.47Å
233R89Confident85.5Confident46 Ų4691.9 Ų91.917%0.17442%0.421CS..  trans-65.6139.7-179.4-61.9174.9-64.1171.65.4109.8N213 R215 D231 Y235 M242N213-R233 WeakPolarHBondContact O-CD 3.46Å; N213-R233 WeakPolarHBondContact O-CG 3.35Å; R215-R233 VanDerWaalsContact NE-NH2 3.1Å; R215-R233 VanDerWaalsContact NH2-NH2 3.16Å; D231-R233 VanDerWaalsContact CG-NE 3.33Å; D231-R233 WeakPolarHBondContact OD1-CB 3.37Å; D231-R233 WeakPolarHBondContact OD1-CG 3.24Å; D231-R233 IonicContact OD1-CZ 3.46Å; D231-R233 PolarHBondContact OD1-N 2.82Å; D231-R233 IonicContact OD1-NE 3.53Å; D231-R233 PolarHBondContact OD1-NE 2.74Å; D231-R233 IonicContact OD1-NH2 2.89Å; D231-R233 IonicContact OD2-CZ 3.64Å; D231-R233 VanDerWaalsContact OD2-CZ 3.25Å; D231-R233 IonicContact OD2-NE 2.89Å; D231-R233 PolarHBondContact OD2-NE 2.83Å; D231-R233 IonicContact OD2-NH2 3.53Å; D231-R233 PolarHBondContact OD2-NH2 3.47Å; R233-Y235 HydrophobicContact CB-CE2 4.14Å; R233-Y235 PolarHBondContact NH2-OH 3.42Å; R233-M242 HydrophobicContact CG-CG 4.22Å
234R80.5Confident85.6Confident111 Ų11186 Ų8642%0.41940%0.396SS..EExtended strand (participates in β ladder)trans-101.6119.1174.3-69.7178.3172.4-161.8-10.3109.6G236 H240 I241R234-G236 PolarHBondContact O-N 2.94Å; R234-H240 WeakPolarHBondContact O-CA 3.48Å; R234-I241 HydrophobicContact CB-CB 4.28Å; R234-I241 PolarHBondContact N-O 2.57Å; R234-I241 PolarHBondContact O-N 2.89Å
235Y73.2Confident85.6Confident143 Ų14386 Ų8656%0.56140%0.396SS*.EExtended strand (participates in β ladder)trans-83.3100.9176.4-65.9-98000108.4D231 R233 H240D231-Y235 PolarHBondContact OD2-OH 2.95Å; R233-Y235 HydrophobicContact CB-CE2 4.14Å; R233-Y235 PolarHBondContact NH2-OH 3.42Å; Y235-H240 AromaticContact CD1-CE1 3.2Å; Y235-H240 WeakPolarHBondContact CD1-CE1 3.33Å; Y235-H240 AromaticContact CD1-ND1 3.13Å; Y235-H240 WeakPolarHBondContact CD1-ND1 3.27Å; Y235-H240 AromaticContact CE1-CE1 3.56Å; Y235-H240 AromaticContact CE1-ND1 3.5Å; Y235-H240 AromaticContact CG-ND1 3.78Å
236G68.5Low85.6Confident39 Ų3983.6 Ų83.640%0.40238%0.379SS..  trans-97.5164.4171.400000111.3R234 K238R234-G236 PolarHBondContact O-N 2.94Å; G236-K238 PolarHBondContact O-N 2.8Å
237F67.4Low85.6Confident226 Ų22677.7 Ų77.799%0.99136%0.356SS*.SBendtrans-59-27.1-178.8-73.6-81.1000114.9
238K64.7Low85.7Confident204 Ų20473.2 Ų73.289%0.88734%0.336SS*.SBendtrans-123.1-28.5-174.5-69.8-173.5177.5-178.50115.1G236G236-K238 PolarHBondContact O-N 2.8Å
239R66.3Low85.7Confident212 Ų21273.4 Ų73.480%0.833%0.334SS*.  trans-148.4139.2179.3-67.7-171.8177.9170.8-1.1110.1I241R239-I241 PolarHBondContact O-N 3.24Å
240H64.2Low85.7Confident106 Ų10671.3 Ų71.349%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-73.1118.5167.8-57-73.8000108.4R234 Y235 M242R234-H240 WeakPolarHBondContact O-CA 3.48Å; Y235-H240 AromaticContact CD1-CE1 3.2Å; Y235-H240 WeakPolarHBondContact CD1-CE1 3.33Å; Y235-H240 AromaticContact CD1-ND1 3.13Å; Y235-H240 WeakPolarHBondContact CD1-ND1 3.27Å; Y235-H240 AromaticContact CE1-CE1 3.56Å; Y235-H240 AromaticContact CE1-ND1 3.5Å; Y235-H240 AromaticContact CG-ND1 3.78Å; H240-M242 PolarHBondContact O-N 3.22Å
241I76.9Confident85.5Confident117 Ų11773.4 Ų73.460%0.634%0.336SS*.EExtended strand (participates in β ladder)trans-84.3104.5171.8-59.5172.4000106.1R234 R239R234-I241 HydrophobicContact CB-CB 4.28Å; R234-I241 PolarHBondContact N-O 2.57Å; R234-I241 PolarHBondContact O-N 2.89Å; R239-I241 PolarHBondContact O-N 3.24Å
242M85.5Confident85.4Confident111 Ų11176.2 Ų76.255%0.54735%0.347SS..  trans-90.7156176.1-62.1179.6-72.100109.8N213 R233 H240N213-M242 HydrophobicContact CB-SD 3.84Å; R233-M242 HydrophobicContact CG-CG 4.22Å; H240-M242 PolarHBondContact O-N 3.22Å
243C92.7Very high85.4Confident5 Ų578.1 Ų78.13%0.03436%0.358CS..  trans-133.8137.2169.861.20000110N213 G214 C259 N260 D261N213-C243 CarbonylContact C-O 3.58Å; G214-C243 WeakPolarHBondContact CA-O 3.29Å; G214-C243 PolarHBondContact N-O 3.36Å; C243-C259 HydrophobicContact CB-CB 4.2Å; C243-N260 WeakPolarHBondContact CA-OD1 3.31Å; C243-D261 HydrophobicContact CB-CB 3.85Å
244K96.2Very high85.7Confident17 Ų1778.6 Ų78.67%0.07436%0.361CS..  trans-70.9128.2172.1178.9-178.769.2172.10108.7T196 Y212 T246 C259 N260 S285 S286 Q287T196-K244 HydrophobicContact CG2-CG 4.19Å; Y212-K244 HydrophobicContact CD2-CB 4.2Å; Y212-K244 HydrophobicContact CD2-CD 3.62Å; Y212-K244 HydrophobicContact CD2-CG 3.76Å; Y212-K244 HydrophobicContact CE2-CB 4.4Å; Y212-K244 HydrophobicContact CE2-CD 3.69Å; Y212-K244 HydrophobicContact CE2-CG 4.2Å; Y212-K244 WeakPolarHBondContact O-CA 3.24Å; Y212-K244 PolarHBondContact O-N 2.84Å; K244-T246 HydrophobicContact CG-CG2 4.45Å; K244-T246 PolarHBondContact O-N 3.4Å; K244-C259 CarbonylContact O-C 3.57Å; K244-C259 VanDerWaalsContact O-CA 3.25Å; K244-C259 WeakPolarHBondContact O-CA 3.49Å; K244-N260 HydrophobicContact CB-CB 4.38Å; K244-N260 PolarHBondContact N-OD1 2.94Å; K244-N260 PolarHBondContact O-N 2.89Å; K244-N260 PolarHBondContact O-OD1 3.18Å; K244-S285 PolarHBondContact NZ-O 2.72Å; K244-S286 PolarHBondContact NZ-O 2.78Å; K244-Q287 VanDerWaalsContact CE-OE1 3.32Å; K244-Q287 VanDerWaalsContact NZ-NE2 3.1Å; K244-Q287 VanDerWaalsContact NZ-OE1 3.1Å
245I98.3Very high86.5Confident0 Ų073.3 Ų73.30%034%0.341CS..EExtended strand (participates in β ladder)trans-75.6118.3166.8-65.9172.6000107.6T196 A197 T211 R215 C216 L232 L248 I257 T258T196-I245 VanDerWaalsContact CB-O 3.25Å; T196-I245 WeakPolarHBondContact CB-O 3.35Å; T196-I245 PolarHBondContact OG1-O 2.85Å; A197-I245 HydrophobicContact CB-CG2 4.22Å; T211-I245 PolarHBondContact O-N 3.13Å; T211-I245 VanDerWaalsContact O-N 3.15Å; R215-I245 WeakPolarHBondContact O-CD1 3.31Å; C216-I245 HydrophobicContact CB-CD1 3.94Å; L232-I245 HydrophobicContact CD1-CD1 4.08Å; L232-I245 HydrophobicContact CD1-CG1 4.16Å; I245-L248 HydrophobicContact CG2-CD2 3.91Å; I245-L248 HydrophobicContact CG2-CG 4.12Å; I245-I257 HydrophobicContact CB-CG2 4.48Å; I245-I257 HydrophobicContact CD1-CG2 3.99Å; I245-I257 HydrophobicContact CG1-CG2 3.89Å; I245-I257 HydrophobicContact CG2-CG2 3.85Å; I245-T258 CarbonylContact C-O 3.5Å; I245-T258 WeakPolarHBondContact CA-O 3.4Å
246T98.2Very high87.7Confident3 Ų366.5 Ų66.52%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-98.8-17.1-176.552.20000112.9K244 T258 N260 N283 S286 I288K244-T246 HydrophobicContact CG-CG2 4.45Å; K244-T246 PolarHBondContact O-N 3.4Å; T246-T258 PolarHBondContact N-O 3Å; T246-T258 WeakPolarHBondContact OG1-CG2 3.45Å; T246-T258 PolarHBondContact OG1-O 3Å; T246-N260 HydrophobicContact CG2-CB 4.01Å; T246-N283 PolarHBondContact OG1-ND2 3.1Å; T246-S286 VanDerWaalsContact CG2-O 3.25Å; T246-S286 WeakPolarHBondContact CG2-O 3.27Å; T246-I288 WeakPolarHBondContact CB-O 3.48Å; T246-I288 PolarHBondContact OG1-O 3.47Å
247G98.2Very high89.1Confident1 Ų164.7 Ų64.71%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-167.1145.8179.200000112.7T258G247-T258 PolarHBondContact N-O 2.98Å; G247-T258 PolarHBondContact O-N 3.47Å
248L98.7Very high90.6Very high12 Ų1253.9 Ų53.96%0.06325%0.248CC..EExtended strand (participates in β ladder)trans-123.7137.1171.2-62.8174.6000108.4A197 T199 A208 I245 L255 L256 I257A197-L248 HydrophobicContact CB-CB 4.38Å; A197-L248 HydrophobicContact CB-CD1 4.06Å; A197-L248 HydrophobicContact CB-CG 3.83Å; T199-L248 HydrophobicContact CG2-CB 3.57Å; T199-L248 HydrophobicContact CG2-CD1 4.37Å; A208-L248 HydrophobicContact CB-CD1 4.16Å; A208-L248 WeakPolarHBondContact O-CD1 3.4Å; I245-L248 HydrophobicContact CG2-CD2 3.91Å; I245-L248 HydrophobicContact CG2-CG 4.12Å; L248-L255 HydrophobicContact CB-CD1 4.43Å; L248-L255 HydrophobicContact CD2-CD1 4.27Å; L248-L256 WeakPolarHBondContact CA-O 3.4Å; L248-I257 HydrophobicContact CD2-CB 4.15Å; L248-I257 HydrophobicContact CD2-CG1 3.78Å; L248-I257 HydrophobicContact CD2-CG2 3.89Å
249D98Very high92.2Very high20 Ų2044.2 Ų44.211%0.10721%0.206CC..EExtended strand (participates in β ladder)trans-142.9148.7172.7-159.844000109L256 R291 F292D249-L256 HydrophobicContact CB-CB 4.31Å; D249-L256 PolarHBondContact N-O 2.87Å; D249-L256 VanDerWaalsContact N-O 3.1Å; D249-L256 WeakPolarHBondContact O-CB 3.26Å; D249-L256 PolarHBondContact O-N 3.11Å; D249-R291 VanDerWaalsContact CG-CD 3.49Å; D249-R291 IonicContact OD1-NH1 2.69Å; D249-R291 PolarHBondContact OD1-NH1 2.95Å; D249-R291 VanDerWaalsContact OD1-NH1 3.1Å; D249-R291 VanDerWaalsContact OD2-CA 3.28Å; D249-R291 WeakPolarHBondContact OD2-CA 3.17Å; D249-F292 HydrophobicContact CB-CD2 4.34Å; D249-F292 WeakPolarHBondContact OD2-CD2 3.39Å; D249-F292 PolarHBondContact OD2-N 2.67Å
250S96.6Very high93.6Very high40 Ų4035.9 Ų35.928%0.2818%0.177SC..EExtended strand (participates in β ladder)trans-129.9143.5-173.773.90000111.3F200 K254F200-S250 PolarHBondContact O-OG 2.85Å; S250-K254 WeakPolarHBondContact CA-O 3.27Å
251Y94.9Very high95Very high57 Ų5732.8 Ų32.822%0.22416%0.164CC..EExtended strand (participates in β ladder)trans-142.3114.5171.1-177.7-90000109D253 K254 F292 N295Y251-D253 PolarHBondContact O-N 3.45Å; Y251-K254 PolarHBondContact N-O 3.42Å; Y251-K254 WeakPolarHBondContact O-CB 3.38Å; Y251-K254 PolarHBondContact O-N 2.85Å; Y251-F292 HydrophobicContact CG-CG 4.5Å; Y251-N295 VanDerWaalsContact CZ-C 3.45Å; Y251-N295 VanDerWaalsContact OH-C 3.23Å; Y251-N295 PolarHBondContact OH-O 2.65Å
252Q92.7Very high95.9Very high120 Ų12028.5 Ų28.556%0.56115%0.145SC*.THydrogen-bonded Turntrans53.3-126.7-171.2-57.1175.7-22.900110.5K254Q252-K254 VanDerWaalsContact C-N 3.27Å; Q252-K254 PolarHBondContact O-N 3.21Å
253D93.1Very high96.4Very high51 Ų5125.6 Ų25.627%0.27313%0.128SC..THydrogen-bonded Turntrans-88.615.3176.9-61.2-41.3000113.3Y251 V269 R270Y251-D253 PolarHBondContact O-N 3.45Å; D253-V269 WeakPolarHBondContact O-CG2 3.49Å; D253-V269 PolarHBondContact O-N 2.8Å; D253-R270 HydrophobicContact CB-CG 4.02Å; D253-R270 IonicContact OD2-NE 3.91Å
254K95.2Very high96.6Very high56 Ų5625.4 Ų25.424%0.24313%0.126CC..EExtended strand (participates in β ladder)trans-104.3135.7177.7-57.7-55.2-174-172.70111.3S250 Y251 Q252 L266 Y267 D268 F292S250-K254 WeakPolarHBondContact CA-O 3.27Å; Y251-K254 PolarHBondContact N-O 3.42Å; Y251-K254 WeakPolarHBondContact O-CB 3.38Å; Y251-K254 PolarHBondContact O-N 2.85Å; Q252-K254 VanDerWaalsContact C-N 3.27Å; Q252-K254 PolarHBondContact O-N 3.21Å; K254-L266 HydrophobicContact CB-CD1 3.86Å; K254-L266 HydrophobicContact CG-CD1 4.49Å; K254-Y267 WeakPolarHBondContact CA-O 3.17Å; K254-D268 HydrophobicContact CD-CB 4.41Å; K254-D268 VanDerWaalsContact NZ-CG 3.34Å; K254-D268 IonicContact NZ-OD2 3.75Å; K254-D268 PolarHBondContact NZ-OD2 2.98Å; K254-F292 HydrophobicContact CB-CZ 4.23Å
255L97.8Very high96.5Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-113.9127.3173.3176.865.1000110T199 V201 A208 F218 L248 I257 L266 Y267 V269T199-L255 HydrophobicContact CG2-CD1 4.06Å; V201-L255 HydrophobicContact CG1-CD1 3.96Å; A208-L255 HydrophobicContact CB-CD1 4.26Å; A208-L255 HydrophobicContact CB-CD2 4.11Å; F218-L255 HydrophobicContact CE1-CD2 3.85Å; F218-L255 HydrophobicContact CZ-CD2 3.56Å; L248-L255 HydrophobicContact CB-CD1 4.43Å; L248-L255 HydrophobicContact CD2-CD1 4.27Å; L255-I257 HydrophobicContact CD2-CD1 3.99Å; L255-I257 HydrophobicContact CD2-CG1 3.96Å; L255-I257 HydrophobicContact CG-CD1 4.47Å; L255-I257 HydrophobicContact CG-CG1 3.92Å; L255-L266 CarbonylContact O-C 3.49Å; L255-L266 WeakPolarHBondContact O-CA 3.39Å; L255-Y267 PolarHBondContact N-O 3.08Å; L255-Y267 PolarHBondContact O-N 2.58Å; L255-V269 HydrophobicContact CB-CG2 3.57Å
256L97.8Very high96.4Very high0 Ų025.3 Ų25.30%013%0.126CC..EExtended strand (participates in β ladder)trans-98.8124.4171.7-16367.9000109.3L248 D249 I264 R265 L266 A290 F292 I299L248-L256 WeakPolarHBondContact CA-O 3.4Å; D249-L256 HydrophobicContact CB-CB 4.31Å; D249-L256 PolarHBondContact N-O 2.87Å; D249-L256 VanDerWaalsContact N-O 3.1Å; D249-L256 WeakPolarHBondContact O-CB 3.26Å; D249-L256 PolarHBondContact O-N 3.11Å; L256-I264 HydrophobicContact CD1-CG2 3.25Å; L256-I264 HydrophobicContact CD2-CG2 4.12Å; L256-I264 HydrophobicContact CG-CG2 3.57Å; L256-R265 WeakPolarHBondContact CA-O 3.35Å; L256-L266 HydrophobicContact CD1-CB 4.44Å; L256-L266 HydrophobicContact CD1-CD1 4.23Å; L256-A290 HydrophobicContact CD2-CB 3.59Å; L256-A290 HydrophobicContact CG-CB 4.39Å; L256-F292 HydrophobicContact CB-CD2 4.41Å; L256-F292 HydrophobicContact CB-CE2 3.62Å; L256-F292 HydrophobicContact CB-CZ 3.88Å; L256-F292 HydrophobicContact CD1-CZ 4.37Å; L256-F292 HydrophobicContact CD2-CE2 4.4Å; L256-I299 HydrophobicContact CD1-CD1 3.58Å; L256-I299 HydrophobicContact CD1-CG1 4.22Å; L256-I299 HydrophobicContact CD2-CD1 4.34Å; L256-I299 HydrophobicContact CD2-CG1 4.07Å; L256-I299 HydrophobicContact CD2-CG2 3.7Å
257I98.4Very high96.3Very high0 Ų026.1 Ų26.10%013%0.129CC..EExtended strand (participates in β ladder)trans-115.8116.5176.3-49.1-178.8000108.8C216 I230 L232 I245 L248 L255 I264 R265 Y267C216-I257 HydrophobicContact CB-CD1 3.82Å; I230-I257 HydrophobicContact CD1-CD1 4.37Å; L232-I257 HydrophobicContact CD1-CD1 4.42Å; L232-I257 HydrophobicContact CD1-CG2 3.8Å; I245-I257 HydrophobicContact CB-CG2 4.48Å; I245-I257 HydrophobicContact CD1-CG2 3.99Å; I245-I257 HydrophobicContact CG1-CG2 3.89Å; I245-I257 HydrophobicContact CG2-CG2 3.85Å; L248-I257 HydrophobicContact CD2-CB 4.15Å; L248-I257 HydrophobicContact CD2-CG1 3.78Å; L248-I257 HydrophobicContact CD2-CG2 3.89Å; L255-I257 HydrophobicContact CD2-CD1 3.99Å; L255-I257 HydrophobicContact CD2-CG1 3.96Å; L255-I257 HydrophobicContact CG-CD1 4.47Å; L255-I257 HydrophobicContact CG-CG1 3.92Å; I257-I264 CarbonylContact O-C 3.56Å; I257-I264 WeakPolarHBondContact O-CA 3.28Å; I257-R265 PolarHBondContact N-O 3.42Å; I257-R265 PolarHBondContact O-N 2.8Å; I257-Y267 HydrophobicContact CD1-CD2 3.81Å; I257-Y267 HydrophobicContact CD1-CE2 3.9Å; I257-Y267 HydrophobicContact CG1-CD2 4.24Å
258T98.5Very high96.2Very high0 Ų026.5 Ų26.50%013%0.131CC..EExtended strand (participates in β ladder)trans-97.2133.7173.5-470000109.1I245 T246 G247 I264 F281 I288 A290I245-T258 CarbonylContact C-O 3.5Å; I245-T258 WeakPolarHBondContact CA-O 3.4Å; T246-T258 PolarHBondContact N-O 3Å; T246-T258 WeakPolarHBondContact OG1-CG2 3.45Å; T246-T258 PolarHBondContact OG1-O 3Å; G247-T258 PolarHBondContact N-O 2.98Å; G247-T258 PolarHBondContact O-N 3.47Å; T258-I264 HydrophobicContact CG2-CG1 4Å; T258-F281 HydrophobicContact CG2-CE2 4.25Å; T258-F281 HydrophobicContact CG2-CZ 4.02Å; T258-I288 VanDerWaalsContact CG2-O 3.29Å; T258-I288 WeakPolarHBondContact CG2-O 3.44Å; T258-A290 WeakPolarHBondContact OG1-CB 3.27Å; T258-A290 PolarHBondContact OG1-N 2.95Å
259C97.6Very high96Very high0 Ų026.6 Ų26.60%013%0.132CC..EExtended strand (participates in β ladder)trans-128.9157.9-179.6-62.60000111.3L232 C243 K244 D261 R263 N283L232-C259 VanDerWaalsContact CD1-SG 3.59Å; C243-C259 HydrophobicContact CB-CB 4.2Å; K244-C259 CarbonylContact O-C 3.57Å; K244-C259 VanDerWaalsContact O-CA 3.25Å; K244-C259 WeakPolarHBondContact O-CA 3.49Å; C259-D261 WeakPolarHBondContact CB-OD1 3.44Å; C259-D261 PolarHBondContact O-N 3.32Å; C259-R263 PolarHBondContact N-O 3.46Å; C259-R263 VanDerWaalsContact N-O 3.1Å; C259-N283 PolarHBondContact O-ND2 2.88Å; C259-N283 VanDerWaalsContact O-ND2 3.12Å
260N96.1Very high95.8Very high38 Ų3833.7 Ų33.720%0.20316%0.157CC..THydrogen-bonded Turntrans-80.118.7173.482.4-31000114.1C243 K244 T246 S262 N283 R284C243-N260 WeakPolarHBondContact CA-OD1 3.31Å; K244-N260 HydrophobicContact CB-CB 4.38Å; K244-N260 PolarHBondContact N-OD1 2.94Å; K244-N260 PolarHBondContact O-N 2.89Å; K244-N260 PolarHBondContact O-OD1 3.18Å; T246-N260 HydrophobicContact CG2-CB 4.01Å; N260-S262 VanDerWaalsContact C-N 3.28Å; N260-N283 CarbonylContact C-O 3.5Å; N260-N283 WeakPolarHBondContact CA-O 3.23Å; N260-R284 WeakPolarHBondContact CB-O 3.28Å; N260-R284 PolarHBondContact ND2-O 2.83Å
261D94.8Very high95.8Very high40 Ų4036.3 Ų36.321%0.21417%0.168CC..THydrogen-bonded Turntrans-97.724.616774.8-29000111.7C243 C259 R263 R265C243-D261 HydrophobicContact CB-CB 3.85Å; C259-D261 WeakPolarHBondContact CB-OD1 3.44Å; C259-D261 PolarHBondContact O-N 3.32Å; D261-R263 VanDerWaalsContact C-N 3.26Å; D261-R263 PolarHBondContact O-N 3.44Å; D261-R263 WeakPolarHBondContact OD1-CB 3.44Å; D261-R263 WeakPolarHBondContact OD2-CD 3.38Å; D261-R263 IonicContact OD2-CZ 3.61Å; D261-R263 IonicContact OD2-NE 3.79Å; D261-R263 IonicContact OD2-NH1 2.71Å; D261-R263 PolarHBondContact OD2-NH1 2.89Å; D261-R265 IonicContact OD1-CZ 3.59Å; D261-R265 IonicContact OD1-NH1 3.85Å; D261-R265 PolarHBondContact OD1-NH1 2.92Å; D261-R265 IonicContact OD1-NH2 2.72Å; D261-R265 IonicContact OD2-CZ 3.84Å; D261-R265 IonicContact OD2-NH1 3.21Å; D261-R265 IonicContact OD2-NH2 2.65Å; D261-R265 PolarHBondContact OD2-NH2 2.71Å
262S95.8Very high95.8Very high28 Ų2836.2 Ų36.220%0.19617%0.171CC..THydrogen-bonded Turntrans53.439-175.9-62.70000113.4N260 F281 N283N260-S262 VanDerWaalsContact C-N 3.28Å; S262-F281 VanDerWaalsContact C-CE1 3.44Å; S262-F281 WeakPolarHBondContact CB-O 3.38Å; S262-N283 PolarHBondContact N-O 3.49Å; S262-N283 PolarHBondContact OG-N 2.95Å; S262-N283 VanDerWaalsContact OG-N 3.09Å; S262-N283 PolarHBondContact OG-O 2.79Å
263R94.7Very high95.9Very high50 Ų5033.6 Ų33.619%0.18916%0.163CC..EExtended strand (participates in β ladder)trans-136.4143.3179.1-65.9171.7-171.8135.63.6111.4C259 D261 R265 R279C259-R263 PolarHBondContact N-O 3.46Å; C259-R263 VanDerWaalsContact N-O 3.1Å; D261-R263 VanDerWaalsContact C-N 3.26Å; D261-R263 PolarHBondContact O-N 3.44Å; D261-R263 WeakPolarHBondContact OD1-CB 3.44Å; D261-R263 WeakPolarHBondContact OD2-CD 3.38Å; D261-R263 IonicContact OD2-CZ 3.61Å; D261-R263 IonicContact OD2-NE 3.79Å; D261-R263 IonicContact OD2-NH1 2.71Å; D261-R263 PolarHBondContact OD2-NH1 2.89Å; R263-R265 VanDerWaalsContact CB-NH1 3.32Å; R263-R279 HydrophobicContact CG-CG 4.4Å
264I96.5Very high95.9Very high0 Ų035 Ų350%017%0.17CC..EExtended strand (participates in β ladder)trans-113.2135.5167.3-59.2151.1000107.4L256 I257 T258 K277 Y278 F281 A290 A301 W311L256-I264 HydrophobicContact CD1-CG2 3.25Å; L256-I264 HydrophobicContact CD2-CG2 4.12Å; L256-I264 HydrophobicContact CG-CG2 3.57Å; I257-I264 CarbonylContact O-C 3.56Å; I257-I264 WeakPolarHBondContact O-CA 3.28Å; T258-I264 HydrophobicContact CG2-CG1 4Å; I264-K277 CarbonylContact O-C 3.51Å; I264-K277 WeakPolarHBondContact O-CA 3.48Å; I264-Y278 HydrophobicContact CB-CD2 4.36Å; I264-Y278 HydrophobicContact CG2-CD2 4.17Å; I264-Y278 PolarHBondContact N-O 2.81Å; I264-Y278 PolarHBondContact O-N 3.05Å; I264-F281 HydrophobicContact CD1-CD1 4.08Å; I264-F281 HydrophobicContact CD1-CE1 3.69Å; I264-F281 HydrophobicContact CD1-CZ 3.95Å; I264-F281 HydrophobicContact CG1-CD1 4.49Å; I264-F281 HydrophobicContact CG1-CE1 3.62Å; I264-F281 HydrophobicContact CG1-CZ 3.67Å; I264-A290 HydrophobicContact CD1-CB 3.6Å; I264-A290 HydrophobicContact CG1-CB 3.85Å; I264-A290 HydrophobicContact CG2-CB 4.03Å; I264-A301 HydrophobicContact CD1-CB 4.09Å; I264-W311 HydrophobicContact CD1-CE3 4.33Å; I264-W311 HydrophobicContact CD1-CH2 3.51Å; I264-W311 HydrophobicContact CD1-CZ2 4.18Å; I264-W311 HydrophobicContact CD1-CZ3 3.62Å
265R95.8Very high95.7Very high9 Ų934.7 Ų34.73%0.03417%0.173CC..EExtended strand (participates in β ladder)trans-123.2131.5-177.6-63.9167.5178.974.9-6.6109.3L256 I257 D261 R263 Y267 L274L256-R265 WeakPolarHBondContact CA-O 3.35Å; I257-R265 PolarHBondContact N-O 3.42Å; I257-R265 PolarHBondContact O-N 2.8Å; D261-R265 IonicContact OD1-CZ 3.59Å; D261-R265 IonicContact OD1-NH1 3.85Å; D261-R265 PolarHBondContact OD1-NH1 2.92Å; D261-R265 IonicContact OD1-NH2 2.72Å; D261-R265 IonicContact OD2-CZ 3.84Å; D261-R265 IonicContact OD2-NH1 3.21Å; D261-R265 IonicContact OD2-NH2 2.65Å; D261-R265 PolarHBondContact OD2-NH2 2.71Å; R263-R265 VanDerWaalsContact CB-NH1 3.32Å; R265-Y267 HydrophobicContact CB-CD2 4.14Å; R265-Y267 HydrophobicContact CB-CE2 3.6Å; R265-Y267 HydrophobicContact CG-CE2 4.49Å; R265-L274 HydrophobicContact CB-CD1 3.87Å; R265-L274 HydrophobicContact CG-CD1 4.29Å
266L96.1Very high95.4Very high6 Ų635 Ų353%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-105.1121.2176.7-178.767.2000109K254 L255 L256 V275 C276 Y278 F292K254-L266 HydrophobicContact CB-CD1 3.86Å; K254-L266 HydrophobicContact CG-CD1 4.49Å; L255-L266 CarbonylContact O-C 3.49Å; L255-L266 WeakPolarHBondContact O-CA 3.39Å; L256-L266 HydrophobicContact CD1-CB 4.44Å; L256-L266 HydrophobicContact CD1-CD1 4.23Å; L266-V275 HydrophobicContact CB-CB 4.44Å; L266-V275 HydrophobicContact CD2-CB 4.16Å; L266-V275 HydrophobicContact CD2-CG1 3.98Å; L266-V275 HydrophobicContact CG-CB 4.1Å; L266-V275 HydrophobicContact CG-CG1 4.47Å; L266-V275 WeakPolarHBondContact O-CA 3.48Å; L266-V275 WeakPolarHBondContact O-CB 3.18Å; L266-V275 PolarHBondContact O-N 3.02Å; L266-C276 HydrophobicContact CB-CB 4.16Å; L266-C276 HydrophobicContact CD2-CB 4.4Å; L266-C276 PolarHBondContact N-O 3.08Å; L266-C276 PolarHBondContact O-N 3.04Å; L266-Y278 HydrophobicContact CB-CE2 3.98Å; L266-Y278 HydrophobicContact CD2-CE2 4.49Å; L266-F292 HydrophobicContact CD1-CE1 4Å; L266-F292 HydrophobicContact CD1-CZ 3.55Å
267Y95.9Very high95.1Very high21 Ų2137.4 Ų37.48%0.08219%0.185CC..EExtended strand (participates in β ladder)trans-111.8149.6177.3-74.4-92.8000111.1I230 L232 K254 L255 I257 R265 L272 T273 L274I230-Y267 HydrophobicContact CD1-CD1 3.7Å; I230-Y267 HydrophobicContact CD1-CD2 4.21Å; I230-Y267 HydrophobicContact CD1-CE1 4.03Å; I230-Y267 HydrophobicContact CD1-CG 3.8Å; I230-Y267 HydrophobicContact CG1-CD1 4.47Å; I230-Y267 HydrophobicContact CG1-CE1 4.42Å; I230-Y267 HydrophobicContact CG2-CE1 3.89Å; I230-Y267 HydrophobicContact CG2-CE2 4.27Å; L232-Y267 HydrophobicContact CD2-CE2 4.15Å; L232-Y267 WeakPolarHBondContact CD2-OH 3.47Å; K254-Y267 WeakPolarHBondContact CA-O 3.17Å; L255-Y267 PolarHBondContact N-O 3.08Å; L255-Y267 PolarHBondContact O-N 2.58Å; I257-Y267 HydrophobicContact CD1-CD2 3.81Å; I257-Y267 HydrophobicContact CD1-CE2 3.9Å; I257-Y267 HydrophobicContact CG1-CD2 4.24Å; R265-Y267 HydrophobicContact CB-CD2 4.14Å; R265-Y267 HydrophobicContact CB-CE2 3.6Å; R265-Y267 HydrophobicContact CG-CE2 4.49Å; Y267-L272 WeakPolarHBondContact CD1-O 3.47Å; Y267-T273 CarbonylContact C-O 3.58Å; Y267-T273 VanDerWaalsContact CA-O 3.26Å; Y267-T273 WeakPolarHBondContact CA-O 3.33Å; Y267-T273 WeakPolarHBondContact CD1-O 3.3Å; Y267-L274 HydrophobicContact CD1-CB 4.25Å; Y267-L274 HydrophobicContact CD2-CD1 4.24Å; Y267-L274 HydrophobicContact CE1-CB 3.81Å; Y267-L274 HydrophobicContact CE1-CD1 4.1Å; Y267-L274 HydrophobicContact CE2-CD1 3.79Å
268D94.7Very high94.9Very high8 Ų837.4 Ų37.44%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-88.4122.1161-165.8-41.8000108.4K254 R270 D271 L272 T273 V275K254-D268 HydrophobicContact CD-CB 4.41Å; K254-D268 VanDerWaalsContact NZ-CG 3.34Å; K254-D268 IonicContact NZ-OD2 3.75Å; K254-D268 PolarHBondContact NZ-OD2 2.98Å; D268-R270 PolarHBondContact O-N 2.98Å; D268-R270 VanDerWaalsContact OD1-CB 3.32Å; D268-R270 WeakPolarHBondContact OD1-CB 3.18Å; D268-R270 WeakPolarHBondContact OD1-CG 3.46Å; D268-R270 IonicContact OD1-CZ 3.12Å; D268-R270 PolarHBondContact OD1-N 3.46Å; D268-R270 IonicContact OD1-NE 3.1Å; D268-R270 PolarHBondContact OD1-NE 2.73Å; D268-R270 IonicContact OD1-NH2 3.93Å; D268-R270 IonicContact OD2-CZ 2.98Å; D268-R270 IonicContact OD2-NE 3.19Å; D268-R270 PolarHBondContact OD2-NE 2.97Å; D268-R270 IonicContact OD2-NH2 2.71Å; D268-R270 PolarHBondContact OD2-NH2 3.49Å; D268-D271 WeakPolarHBondContact CB-OD1 3.06Å; D268-L272 WeakPolarHBondContact O-CA 3.48Å; D268-L272 PolarHBondContact O-N 3.19Å; D268-T273 PolarHBondContact N-O 2.87Å; D268-T273 PolarHBondContact O-N 3.31Å; D268-V275 HydrophobicContact CB-CG2 3.98Å
269V95.7Very high94.6Very high14 Ų1442.6 Ų42.69%0.08521%0.205CC..THydrogen-bonded Turntrans-75.6-17.6-174.3-177.90000111.6V201 F218 D253 L255V201-V269 HydrophobicContact CB-CG1 4.47Å; V201-V269 HydrophobicContact CG2-CG1 3.97Å; F218-V269 HydrophobicContact CE1-CG1 4.07Å; D253-V269 WeakPolarHBondContact O-CG2 3.49Å; D253-V269 PolarHBondContact O-N 2.8Å; L255-V269 HydrophobicContact CB-CG2 3.57Å
270R94Very high94.3Very high170 Ų17044.6 Ų44.664%0.64223%0.226SC*.THydrogen-bonded Turntrans-69.7-36.4-178.1-63.5170.8-65.31767.9112.3D253 D268D253-R270 HydrophobicContact CB-CG 4.02Å; D253-R270 IonicContact OD2-NE 3.91Å; D268-R270 PolarHBondContact O-N 2.98Å; D268-R270 VanDerWaalsContact OD1-CB 3.32Å; D268-R270 WeakPolarHBondContact OD1-CB 3.18Å; D268-R270 WeakPolarHBondContact OD1-CG 3.46Å; D268-R270 IonicContact OD1-CZ 3.12Å; D268-R270 PolarHBondContact OD1-N 3.46Å; D268-R270 IonicContact OD1-NE 3.1Å; D268-R270 PolarHBondContact OD1-NE 2.73Å; D268-R270 IonicContact OD1-NH2 3.93Å; D268-R270 IonicContact OD2-CZ 2.98Å; D268-R270 IonicContact OD2-NE 3.19Å; D268-R270 PolarHBondContact OD2-NE 2.97Å; D268-R270 IonicContact OD2-NH2 2.71Å; D268-R270 PolarHBondContact OD2-NH2 3.49Å
271D94.9Very high94.2Very high95 Ų9543 Ų4351%0.50822%0.217SC..THydrogen-bonded Turntrans-129.13.2-177.762.69.7000113.5D268 T273D268-D271 WeakPolarHBondContact CB-OD1 3.06Å; D271-T273 HydrophobicContact CB-CG2 4.17Å; D271-T273 PolarHBondContact O-N 3.21Å; D271-T273 VanDerWaalsContact OD1-CB 3.28Å; D271-T273 WeakPolarHBondContact OD1-CB 3.44Å; D271-T273 VanDerWaalsContact OD1-CG2 3.27Å; D271-T273 WeakPolarHBondContact OD1-CG2 3.26Å; D271-T273 PolarHBondContact OD1-N 2.84Å; D271-T273 PolarHBondContact OD1-OG1 2.83Å; D271-T273 WeakPolarHBondContact OD2-CG2 3.41Å; D271-T273 PolarHBondContact OD2-OG1 3.24Å
272L95.7Very high94.3Very high54 Ų5442.7 Ų42.728%0.28322%0.217SC..  trans58.523.5-178-51.6179.6000113.8F218 A228 I230 Y267 D268F218-L272 HydrophobicContact CD2-CD2 4.39Å; F218-L272 HydrophobicContact CE2-CD2 3.77Å; F218-L272 HydrophobicContact CZ-CD2 3.9Å; A228-L272 HydrophobicContact CB-CD1 3.76Å; I230-L272 HydrophobicContact CD1-CB 4.49Å; I230-L272 HydrophobicContact CD1-CD2 4.2Å; I230-L272 HydrophobicContact CG1-CB 4.26Å; I230-L272 HydrophobicContact CG1-CD2 4.4Å; Y267-L272 WeakPolarHBondContact CD1-O 3.47Å; D268-L272 WeakPolarHBondContact O-CA 3.48Å; D268-L272 PolarHBondContact O-N 3.19Å
273T95Very high94.4Very high66 Ų6641.4 Ų41.441%0.40521%0.208SC..  trans-76.6140.5178.859.40000111.9Y267 D268 D271 V275Y267-T273 CarbonylContact C-O 3.58Å; Y267-T273 VanDerWaalsContact CA-O 3.26Å; Y267-T273 WeakPolarHBondContact CA-O 3.33Å; Y267-T273 WeakPolarHBondContact CD1-O 3.3Å; D268-T273 PolarHBondContact N-O 2.87Å; D268-T273 PolarHBondContact O-N 3.31Å; D271-T273 HydrophobicContact CB-CG2 4.17Å; D271-T273 PolarHBondContact O-N 3.21Å; D271-T273 VanDerWaalsContact OD1-CB 3.28Å; D271-T273 WeakPolarHBondContact OD1-CB 3.44Å; D271-T273 VanDerWaalsContact OD1-CG2 3.27Å; D271-T273 WeakPolarHBondContact OD1-CG2 3.26Å; D271-T273 PolarHBondContact OD1-N 2.84Å; D271-T273 PolarHBondContact OD1-OG1 2.83Å; D271-T273 WeakPolarHBondContact OD2-CG2 3.41Å; D271-T273 PolarHBondContact OD2-OG1 3.24Å; T273-V275 PolarHBondContact O-N 3Å
274L93.7Very high94.4Very high80 Ų8047.6 Ų47.642%0.41923%0.231SC..EExtended strand (participates in β ladder)trans-76109.1173.4178.668.4000109.7R265 Y267 C276R265-L274 HydrophobicContact CB-CD1 3.87Å; R265-L274 HydrophobicContact CG-CD1 4.29Å; Y267-L274 HydrophobicContact CD1-CB 4.25Å; Y267-L274 HydrophobicContact CD2-CD1 4.24Å; Y267-L274 HydrophobicContact CE1-CB 3.81Å; Y267-L274 HydrophobicContact CE1-CD1 4.1Å; Y267-L274 HydrophobicContact CE2-CD1 3.79Å; L274-C276 WeakPolarHBondContact CD1-O 3.41Å
275V91.3Very high94.1Very high49 Ų4951.9 Ų51.930%0.29726%0.261SS..EExtended strand (participates in β ladder)trans-79.8-44179.6-179.80000111.6L266 D268 T273 R325L266-V275 HydrophobicContact CB-CB 4.44Å; L266-V275 HydrophobicContact CD2-CB 4.16Å; L266-V275 HydrophobicContact CD2-CG1 3.98Å; L266-V275 HydrophobicContact CG-CB 4.1Å; L266-V275 HydrophobicContact CG-CG1 4.47Å; L266-V275 WeakPolarHBondContact O-CA 3.48Å; L266-V275 WeakPolarHBondContact O-CB 3.18Å; L266-V275 PolarHBondContact O-N 3.02Å; D268-V275 HydrophobicContact CB-CG2 3.98Å; T273-V275 PolarHBondContact O-N 3Å; V275-R325 PolarHBondContact O-NH1 2.88Å
276C91.4Very high93.8Very high6 Ų652.5 Ų52.54%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-155.6156.2-176.7-165.10000112L266 L274 Y278 R325L266-C276 HydrophobicContact CB-CB 4.16Å; L266-C276 HydrophobicContact CD2-CB 4.4Å; L266-C276 PolarHBondContact N-O 3.08Å; L266-C276 PolarHBondContact O-N 3.04Å; L274-C276 WeakPolarHBondContact CD1-O 3.41Å; C276-Y278 HydrophobicContact CB-CE1 4.44Å; C276-Y278 HydrophobicContact CB-CE2 3.97Å; C276-Y278 VanDerWaalsContact SG-CE1 3.59Å; C276-Y278 VanDerWaalsContact SG-CZ 3.59Å; C276-R325 PolarHBondContact SG-NH2 3.42Å; C276-R325 VanDerWaalsContact SG-NH2 3.42Å
277K91.8Very high93.6Very high51 Ų5156.2 Ų56.222%0.22228%0.284CS..EExtended strand (participates in β ladder)trans-128.1121170.7-178.8179.3-73161.10108.4I264 R279I264-K277 CarbonylContact O-C 3.51Å; I264-K277 WeakPolarHBondContact O-CA 3.48Å; K277-R279 VanDerWaalsContact CD-CZ 3.49Å
278Y93.3Very high93.7Very high1 Ų155.3 Ų55.30%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-103.5140.3178.1-50.6-83000110.6I264 L266 C276 I299 W311 K312 D327I264-Y278 HydrophobicContact CB-CD2 4.36Å; I264-Y278 HydrophobicContact CG2-CD2 4.17Å; I264-Y278 PolarHBondContact N-O 2.81Å; I264-Y278 PolarHBondContact O-N 3.05Å; L266-Y278 HydrophobicContact CB-CE2 3.98Å; L266-Y278 HydrophobicContact CD2-CE2 4.49Å; C276-Y278 HydrophobicContact CB-CE1 4.44Å; C276-Y278 HydrophobicContact CB-CE2 3.97Å; C276-Y278 VanDerWaalsContact SG-CE1 3.59Å; C276-Y278 VanDerWaalsContact SG-CZ 3.59Å; Y278-I299 HydrophobicContact CD2-CD1 3.96Å; Y278-I299 HydrophobicContact CE2-CD1 3.34Å; Y278-W311 HydrophobicContact CD1-CB 3.61Å; Y278-W311 AromaticContact CD1-CD1 3.59Å; Y278-W311 HydrophobicContact CD1-CD2 4.46Å; Y278-W311 AromaticContact CD1-CG 3.62Å; Y278-W311 HydrophobicContact CD1-CG 3.62Å; Y278-W311 HydrophobicContact CE1-CB 3.82Å; Y278-W311 HydrophobicContact CE1-CG 4.34Å; Y278-W311 HydrophobicContact CG-CB 4.35Å; Y278-W311 HydrophobicContact CG-CG 4.09Å; Y278-K312 WeakPolarHBondContact CE1-O 3.36Å; Y278-K312 PolarHBondContact OH-O 3.18Å; Y278-D327 VanDerWaalsContact C-OD2 3.31Å; Y278-D327 VanDerWaalsContact CA-OD2 3.3Å; Y278-D327 WeakPolarHBondContact CA-OD2 3.21Å; Y278-D327 HydrophobicContact CD1-CB 4.34Å
279R92.6Very high93.8Very high108 Ų10856.1 Ų56.141%0.40828%0.283SS..  trans-136.1176.8-177.8-59.4179.4176.785.1-13.6109.6R263 K277 W311 D327R263-R279 HydrophobicContact CG-CG 4.4Å; K277-R279 VanDerWaalsContact CD-CZ 3.49Å; R279-W311 WeakPolarHBondContact O-CZ2 3.29Å; R279-W311 PolarHBondContact O-NE1 2.84Å; R279-D327 WeakPolarHBondContact CA-OD2 3.4Å; R279-D327 VanDerWaalsContact CB-OD2 3.25Å; R279-D327 WeakPolarHBondContact CB-OD2 3.26Å; R279-D327 WeakPolarHBondContact CG-OD2 3.35Å; R279-D327 PolarHBondContact N-OD2 2.89Å
280G90.3Very high93.9Very high43 Ų4355.5 Ų55.544%0.44328%0.279SS..SBendtrans120.8-49.3176.300000111.1Y309G280-Y309 VanDerWaalsContact C-CE1 3.41Å; G280-Y309 PolarHBondContact O-OH 3.49Å
281F95.1Very high94.1Very high3 Ų349.3 Ų49.31%0.01326%0.256CS..SBendtrans-71.2158.4177.486.5-60.2000112.9T258 S262 I264 N283 I288 A301 G302 Y309 W311T258-F281 HydrophobicContact CG2-CE2 4.25Å; T258-F281 HydrophobicContact CG2-CZ 4.02Å; S262-F281 VanDerWaalsContact C-CE1 3.44Å; S262-F281 WeakPolarHBondContact CB-O 3.38Å; I264-F281 HydrophobicContact CD1-CD1 4.08Å; I264-F281 HydrophobicContact CD1-CE1 3.69Å; I264-F281 HydrophobicContact CD1-CZ 3.95Å; I264-F281 HydrophobicContact CG1-CD1 4.49Å; I264-F281 HydrophobicContact CG1-CE1 3.62Å; I264-F281 HydrophobicContact CG1-CZ 3.67Å; F281-N283 HydrophobicContact CD2-CB 3.95Å; F281-N283 HydrophobicContact CE2-CB 3.36Å; F281-N283 HydrophobicContact CZ-CB 4.02Å; F281-I288 HydrophobicContact CE2-CG2 4.28Å; F281-A301 HydrophobicContact CD2-CB 4.48Å; F281-G302 WeakPolarHBondContact CD2-O 3.08Å; F281-Y309 HydrophobicContact CB-CD1 4.32Å; F281-Y309 HydrophobicContact CB-CD2 3.51Å; F281-Y309 HydrophobicContact CB-CE2 3.81Å; F281-Y309 HydrophobicContact CB-CG 3.8Å; F281-W311 HydrophobicContact CB-CH2 4.15Å; F281-W311 HydrophobicContact CB-CZ2 4.37Å; F281-W311 HydrophobicContact CD1-CH2 4.1Å; F281-W311 HydrophobicContact CD1-CZ2 4.17Å; F281-W311 HydrophobicContact CG-CH2 4.2Å
282T97.1Very high94.2Very high35 Ų3545.8 Ų45.822%0.21524%0.236CC..  trans-108.1123.3176.9-54.70000109.9R284 S303 E304 D305T282-R284 HydrophobicContact CG2-CG 4.13Å; T282-S303 PolarHBondContact N-OG 2.81Å; T282-S303 PolarHBondContact O-OG 3.1Å; T282-E304 HydrophobicContact CG2-CB 3.98Å; T282-E304 WeakPolarHBondContact O-CB 3.36Å; T282-E304 PolarHBondContact O-N 2.86Å; T282-D305 PolarHBondContact OG1-OD2 3.34Å
283N96.7Very high94.1Very high0 Ų043.3 Ų43.30%022%0.223CC..  trans-150.3101.6173.9178.634.9000107.7T246 C259 N260 S262 F281 S286 I288T246-N283 PolarHBondContact OG1-ND2 3.1Å; C259-N283 PolarHBondContact O-ND2 2.88Å; C259-N283 VanDerWaalsContact O-ND2 3.12Å; N260-N283 CarbonylContact C-O 3.5Å; N260-N283 WeakPolarHBondContact CA-O 3.23Å; S262-N283 PolarHBondContact N-O 3.49Å; S262-N283 PolarHBondContact OG-N 2.95Å; S262-N283 VanDerWaalsContact OG-N 3.09Å; S262-N283 PolarHBondContact OG-O 2.79Å; F281-N283 HydrophobicContact CD2-CB 3.95Å; F281-N283 HydrophobicContact CE2-CB 3.36Å; F281-N283 HydrophobicContact CZ-CB 4.02Å; N283-S286 PolarHBondContact OD1-O 3.05Å; N283-I288 HydrophobicContact CB-CD1 4.38Å
284R94.7Very high93.9Very high180 Ų18043.7 Ų43.768%0.67922%0.221SC*.SBendtrans-114-41-174.2-60.6178.4-174.6-109.23.3111.7N260 T282 E304N260-R284 WeakPolarHBondContact CB-O 3.28Å; N260-R284 PolarHBondContact ND2-O 2.83Å; T282-R284 HydrophobicContact CG2-CG 4.13Å; R284-E304 WeakPolarHBondContact CB-OE2 3.45Å; R284-E304 PolarHBondContact N-OE1 3.42Å; R284-E304 PolarHBondContact N-OE2 2.95Å
285S90.1Very high93.8Very high91 Ų9141.5 Ų41.564%0.63621%0.209SC*.SBendtrans-125-25.2-178.255.20000112.6K244 E304K244-S285 PolarHBondContact NZ-O 2.72Å; S285-E304 PolarHBondContact N-OE1 3.01Å; S285-E304 PolarHBondContact OG-OE1 2.85Å
286S89.7Confident93.7Very high21 Ų2139.4 Ų39.415%0.14720%0.197CC..SBendtrans-66.1168.4-175.8-57.10000113.3K244 T246 N283 I288 E304K244-S286 PolarHBondContact NZ-O 2.78Å; T246-S286 VanDerWaalsContact CG2-O 3.25Å; T246-S286 WeakPolarHBondContact CG2-O 3.27Å; N283-S286 PolarHBondContact OD1-O 3.05Å; S286-I288 VanDerWaalsContact C-N 3.35Å; S286-E304 VanDerWaalsContact CB-OE1 3.24Å; S286-E304 WeakPolarHBondContact CB-OE1 3.49Å; S286-E304 PolarHBondContact N-OE1 3.18Å; S286-E304 VanDerWaalsContact OG-CG 3.27Å; S286-E304 WeakPolarHBondContact OG-CG 3.32Å; S286-E304 PolarHBondContact OG-OE1 3.17Å
287Q92.5Very high93.6Very high85 Ų8542.1 Ų42.140%0.39721%0.209SC..  trans-102.634.5175-58.4-67.516.800111.5K244 R289K244-Q287 VanDerWaalsContact CE-OE1 3.32Å; K244-Q287 VanDerWaalsContact NZ-NE2 3.1Å; K244-Q287 VanDerWaalsContact NZ-OE1 3.1Å; Q287-R289 PolarHBondContact O-N 2.83Å
288I97.3Very high93.6Very high1 Ų140.8 Ų40.81%0.00520%0.204CC..  trans-64.3133.2-179-66.3164.9000108.9T246 T258 F281 N283 S286 A301 G302 E304 V338T246-I288 WeakPolarHBondContact CB-O 3.48Å; T246-I288 PolarHBondContact OG1-O 3.47Å; T258-I288 VanDerWaalsContact CG2-O 3.29Å; T258-I288 WeakPolarHBondContact CG2-O 3.44Å; F281-I288 HydrophobicContact CE2-CG2 4.28Å; N283-I288 HydrophobicContact CB-CD1 4.38Å; S286-I288 VanDerWaalsContact C-N 3.35Å; I288-A301 HydrophobicContact CG2-CB 4.43Å; I288-G302 WeakPolarHBondContact CG2-O 3.46Å; I288-E304 HydrophobicContact CD1-CG 4.1Å; I288-V338 HydrophobicContact CD1-CG1 4.48Å
289R97.6Very high93.7Very high26 Ų2640.7 Ų40.710%0.09820%0.203CC..  trans-121.8136.8175.664.5-176.274.2178.31.4110.3D113 Q287D113-R289 IonicContact OD1-CZ 3.25Å; D113-R289 IonicContact OD1-NH1 3.05Å; D113-R289 PolarHBondContact OD1-NH1 2.86Å; D113-R289 IonicContact OD1-NH2 3.79Å; D113-R289 IonicContact OD2-CZ 2.86Å; D113-R289 IonicContact OD2-NH1 3.9Å; D113-R289 PolarHBondContact OD2-NH1 3.43Å; D113-R289 IonicContact OD2-NH2 2.66Å; D113-R289 PolarHBondContact OD2-NH2 3.31Å; Q287-R289 PolarHBondContact O-N 2.83Å
290A98.1Very high93.9Very high1 Ų135.6 Ų35.61%0.00818%0.184CC..  trans-83.3149.7170.400000110.6L256 T258 I264 I299 I300 A301L256-A290 HydrophobicContact CD2-CB 3.59Å; L256-A290 HydrophobicContact CG-CB 4.39Å; T258-A290 WeakPolarHBondContact OG1-CB 3.27Å; T258-A290 PolarHBondContact OG1-N 2.95Å; I264-A290 HydrophobicContact CD1-CB 3.6Å; I264-A290 HydrophobicContact CG1-CB 3.85Å; I264-A290 HydrophobicContact CG2-CB 4.03Å; A290-I299 HydrophobicContact CB-CG2 3.79Å; A290-I300 CarbonylContact C-O 3.59Å; A290-I300 WeakPolarHBondContact CA-O 3.34Å; A290-A301 HydrophobicContact CB-CB 3.98Å
291R98Very high94.3Very high40 Ų4033.5 Ų33.515%0.15116%0.163CC..EExtended strand (participates in β ladder)trans-132146-179.2-66.7-66.8-159.7141.47.9111.7D249 I299 I300 V343D249-R291 VanDerWaalsContact CG-CD 3.49Å; D249-R291 IonicContact OD1-NH1 2.69Å; D249-R291 PolarHBondContact OD1-NH1 2.95Å; D249-R291 VanDerWaalsContact OD1-NH1 3.1Å; D249-R291 VanDerWaalsContact OD2-CA 3.28Å; D249-R291 WeakPolarHBondContact OD2-CA 3.17Å; R291-I299 CarbonylContact O-C 3.41Å; R291-I299 VanDerWaalsContact O-CA 3.26Å; R291-I299 WeakPolarHBondContact O-CA 3.25Å; R291-I300 HydrophobicContact CB-CG2 4.2Å; R291-I300 PolarHBondContact N-O 3.42Å; R291-I300 PolarHBondContact O-N 2.76Å; R291-V343 HydrophobicContact CG-CG1 4.34Å
292F96.3Very high94.4Very high20 Ų2033.4 Ų33.49%0.08816%0.162CC..EExtended strand (participates in β ladder)trans-72.8150.7169.7-72.8-75.2000112D249 Y251 K254 L256 L266 F298 I299 T313D249-F292 HydrophobicContact CB-CD2 4.34Å; D249-F292 WeakPolarHBondContact OD2-CD2 3.39Å; D249-F292 PolarHBondContact OD2-N 2.67Å; Y251-F292 HydrophobicContact CG-CG 4.5Å; K254-F292 HydrophobicContact CB-CZ 4.23Å; L256-F292 HydrophobicContact CB-CD2 4.41Å; L256-F292 HydrophobicContact CB-CE2 3.62Å; L256-F292 HydrophobicContact CB-CZ 3.88Å; L256-F292 HydrophobicContact CD1-CZ 4.37Å; L256-F292 HydrophobicContact CD2-CE2 4.4Å; L266-F292 HydrophobicContact CD1-CE1 4Å; L266-F292 HydrophobicContact CD1-CZ 3.55Å; F292-F298 CarbonylContact C-O 3.54Å; F292-F298 WeakPolarHBondContact CA-O 3.49Å; F292-I299 HydrophobicContact CD1-CG1 3.9Å; F292-I299 HydrophobicContact CE1-CD1 4.24Å; F292-I299 HydrophobicContact CE1-CG1 4Å; F292-T313 HydrophobicContact CD1-CG2 4.13Å; F292-T313 HydrophobicContact CE1-CG2 4.01Å
293S94.2Very high94.4Very high2 Ų231.7 Ų31.71%0.01415%0.152CC..  trans-68.8159.3159.765.60000110.7N295 G296 Q297 F298 F344S293-N295 PolarHBondContact O-N 2.88Å; S293-N295 PolarHBondContact OG-OD1 3.39Å; S293-G296 WeakPolarHBondContact O-CA 3.39Å; S293-G296 PolarHBondContact O-N 3.24Å; S293-Q297 PolarHBondContact OG-N 3.27Å; S293-Q297 VanDerWaalsContact OG-N 3.15Å; S293-F298 PolarHBondContact N-O 2.82Å; S293-F298 PolarHBondContact OG-N 2.76Å; S293-F298 PolarHBondContact OG-O 2.92Å; S293-F344 VanDerWaalsContact CA-CD2 3.41Å
294H90.9Very high94.5Very high75 Ų7533.4 Ų33.435%0.34716%0.16SC..THydrogen-bonded Turntrans-54.5-27.7-178.664.7-85.3000115P346H294-P346 WeakPolarHBondContact CB-O 3.36Å
295N90.5Very high94.5Very high33 Ų3327.3 Ų27.318%0.17614%0.141CC..THydrogen-bonded Turntrans-103.25.4178.861.69000113Y251 S293 Q297Y251-N295 VanDerWaalsContact CZ-C 3.45Å; Y251-N295 VanDerWaalsContact OH-C 3.23Å; Y251-N295 PolarHBondContact OH-O 2.65Å; S293-N295 PolarHBondContact O-N 2.88Å; S293-N295 PolarHBondContact OG-OD1 3.39Å; N295-Q297 HydrophobicContact CB-CG 4.35Å; N295-Q297 PolarHBondContact O-N 2.82Å; N295-Q297 VanDerWaalsContact O-N 3.16Å; N295-Q297 WeakPolarHBondContact OD1-CB 3.46Å; N295-Q297 PolarHBondContact OD1-N 2.99Å; N295-Q297 VanDerWaalsContact OD1-N 3.09Å
296G90.2Very high94.8Very high5 Ų524.4 Ų24.45%0.05212%0.12CC..SBendtrans62.616.4-179.200000114.6S293 T313S293-G296 WeakPolarHBondContact O-CA 3.39Å; S293-G296 PolarHBondContact O-N 3.24Å; G296-T313 WeakPolarHBondContact O-CB 3.38Å; G296-T313 WeakPolarHBondContact O-CG2 3.21Å; G296-T313 PolarHBondContact O-OG1 2.65Å
297Q89Confident95.1Very high63 Ų6325.4 Ų25.429%0.29412%0.123SC..SBendtrans-84.7-22.1179.9-65.9-173.64.300113.7S293 N295 K312 T313S293-Q297 PolarHBondContact OG-N 3.27Å; S293-Q297 VanDerWaalsContact OG-N 3.15Å; N295-Q297 HydrophobicContact CB-CG 4.35Å; N295-Q297 PolarHBondContact O-N 2.82Å; N295-Q297 VanDerWaalsContact O-N 3.16Å; N295-Q297 WeakPolarHBondContact OD1-CB 3.46Å; N295-Q297 PolarHBondContact OD1-N 2.99Å; N295-Q297 VanDerWaalsContact OD1-N 3.09Å; Q297-K312 WeakPolarHBondContact O-CA 3.21Å; Q297-T313 WeakPolarHBondContact CA-OG1 3.34Å; Q297-T313 PolarHBondContact O-N 3.14Å; Q297-T313 PolarHBondContact O-OG1 2.87Å
298F92.2Very high95.2Very high23 Ų2321.4 Ų21.410%0.10110%0.104CC..EExtended strand (participates in β ladder)trans-131.6158.6-178.6-58.4-87.7000111.2F292 S293 M310 W311 K312 F344 V392 E394F292-F298 CarbonylContact C-O 3.54Å; F292-F298 WeakPolarHBondContact CA-O 3.49Å; S293-F298 PolarHBondContact N-O 2.82Å; S293-F298 PolarHBondContact OG-N 2.76Å; S293-F298 PolarHBondContact OG-O 2.92Å; F298-M310 HydrophobicContact CB-CG 4.26Å; F298-M310 HydrophobicContact CB-SD 4.4Å; F298-M310 HydrophobicContact CD1-CG 4.23Å; F298-M310 HydrophobicContact CD1-SD 4.15Å; F298-M310 HydrophobicContact CG-SD 4.39Å; F298-W311 CarbonylContact C-O 3.59Å; F298-W311 WeakPolarHBondContact CA-O 3.42Å; F298-K312 HydrophobicContact CD1-CG 3.86Å; F298-K312 HydrophobicContact CE1-CD 4.33Å; F298-K312 HydrophobicContact CE1-CG 3.51Å; F298-K312 HydrophobicContact CZ-CG 4.44Å; F298-F344 HydrophobicContact CB-CE2 4.18Å; F298-F344 HydrophobicContact CB-CZ 3.87Å; F298-V392 HydrophobicContact CE2-CG1 4.19Å; F298-E394 WeakPolarHBondContact CD2-OE1 3.33Å; F298-E394 VanDerWaalsContact CE2-OE1 3.24Å; F298-E394 WeakPolarHBondContact CE2-OE1 3.19Å
299I95Very high95.1Very high0 Ų022.2 Ų22.20%011%0.108CC..EExtended strand (participates in β ladder)trans-123.2142168.4-67.9154.5000107.2L256 Y278 A290 R291 F292 M310 W311 T313L256-I299 HydrophobicContact CD1-CD1 3.58Å; L256-I299 HydrophobicContact CD1-CG1 4.22Å; L256-I299 HydrophobicContact CD2-CD1 4.34Å; L256-I299 HydrophobicContact CD2-CG1 4.07Å; L256-I299 HydrophobicContact CD2-CG2 3.7Å; Y278-I299 HydrophobicContact CD2-CD1 3.96Å; Y278-I299 HydrophobicContact CE2-CD1 3.34Å; A290-I299 HydrophobicContact CB-CG2 3.79Å; R291-I299 CarbonylContact O-C 3.41Å; R291-I299 VanDerWaalsContact O-CA 3.26Å; R291-I299 WeakPolarHBondContact O-CA 3.25Å; F292-I299 HydrophobicContact CD1-CG1 3.9Å; F292-I299 HydrophobicContact CE1-CD1 4.24Å; F292-I299 HydrophobicContact CE1-CG1 4Å; I299-M310 CarbonylContact O-C 3.5Å; I299-M310 WeakPolarHBondContact O-CA 3.41Å; I299-M310 WeakPolarHBondContact O-CG 3.46Å; I299-W311 HydrophobicContact CB-CE3 4.32Å; I299-W311 HydrophobicContact CG2-CE3 4.03Å; I299-W311 HydrophobicContact CG2-CZ3 4.39Å; I299-W311 PolarHBondContact N-O 3.14Å; I299-W311 PolarHBondContact O-N 2.71Å; I299-T313 HydrophobicContact CD1-CG2 3.56Å; I299-T313 HydrophobicContact CG1-CG2 3.56Å
300I96.5Very high94.9Very high0 Ų021.9 Ų21.90%011%0.107CC..EExtended strand (participates in β ladder)trans-124.8146.6173.9-166.6170.4000110.9A290 R291 V308 Y309 A342 F344 I396A290-I300 CarbonylContact C-O 3.59Å; A290-I300 WeakPolarHBondContact CA-O 3.34Å; R291-I300 HydrophobicContact CB-CG2 4.2Å; R291-I300 PolarHBondContact N-O 3.42Å; R291-I300 PolarHBondContact O-N 2.76Å; I300-V308 HydrophobicContact CD1-CG1 3.69Å; I300-V308 HydrophobicContact CG1-CG1 3.63Å; I300-Y309 CarbonylContact C-O 3.5Å; I300-Y309 VanDerWaalsContact CA-O 3.3Å; I300-Y309 WeakPolarHBondContact CA-O 3.2Å; I300-Y309 WeakPolarHBondContact CG1-O 3.15Å; I300-A342 HydrophobicContact CD1-CB 3.97Å; I300-A342 HydrophobicContact CG1-CB 3.89Å; I300-F344 HydrophobicContact CB-CD2 4.02Å; I300-F344 HydrophobicContact CB-CE2 3.39Å; I300-F344 HydrophobicContact CB-CZ 3.72Å; I300-F344 HydrophobicContact CD1-CE1 4.41Å; I300-F344 HydrophobicContact CD1-CZ 4.29Å; I300-F344 HydrophobicContact CG2-CD2 3.47Å; I300-F344 VanDerWaalsContact CG2-CD2 3.47Å; I300-F344 HydrophobicContact CG2-CE2 3.38Å; I300-F344 HydrophobicContact CG2-CG 4.31Å; I300-F344 HydrophobicContact CG2-CZ 4.13Å; I300-I396 HydrophobicContact CD1-CB 4.17Å; I300-I396 HydrophobicContact CD1-CD1 3.75Å; I300-I396 HydrophobicContact CD1-CG1 3.78Å; I300-I396 HydrophobicContact CD1-CG2 3.36Å
301A97.6Very high94.7Very high0 Ų022 Ų220%011%0.108CC..EExtended strand (participates in β ladder)trans-148.1148.7169.500000110.5I264 F281 I288 A290 Y309 W311I264-A301 HydrophobicContact CD1-CB 4.09Å; F281-A301 HydrophobicContact CD2-CB 4.48Å; I288-A301 HydrophobicContact CG2-CB 4.43Å; A290-A301 HydrophobicContact CB-CB 3.98Å; A301-Y309 PolarHBondContact N-O 3.45Å; A301-Y309 PolarHBondContact O-N 3.02Å; A301-W311 HydrophobicContact CB-CH2 4.04Å; A301-W311 HydrophobicContact CB-CZ3 3.82Å
302G97.2Very high94.3Very high0 Ų025.7 Ų25.70%013%0.125CC..  trans-72.8-177.3160.800000111.5F281 I288 V339F281-G302 WeakPolarHBondContact CD2-O 3.08Å; I288-G302 WeakPolarHBondContact CG2-O 3.46Å; G302-V339 CarbonylContact C-O 3.6Å; G302-V339 WeakPolarHBondContact CA-O 3.41Å
303S97.9Very high93.8Very high0 Ų025.6 Ų25.60%013%0.126CC..  trans-158.2150.3-176.2-170.10000111.6T282 D305 C306 M307 V339T282-S303 PolarHBondContact N-OG 2.81Å; T282-S303 PolarHBondContact O-OG 3.1Å; S303-D305 WeakPolarHBondContact CB-OD1 3.15Å; S303-D305 PolarHBondContact O-N 3.09Å; S303-D305 PolarHBondContact OG-OD1 3.05Å; S303-D305 PolarHBondContact OG-OD2 3.33Å; S303-C306 PolarHBondContact O-N 3.36Å; S303-M307 VanDerWaalsContact CB-O 3.26Å; S303-M307 WeakPolarHBondContact CB-O 3.47Å; S303-M307 PolarHBondContact N-O 2.7Å; S303-V339 PolarHBondContact N-O 2.88Å; S303-V339 VanDerWaalsContact N-O 3.13Å; S303-V339 PolarHBondContact O-N 3.11Å
304E98.1Very high92.6Very high35 Ų3532.6 Ų32.616%0.16415%0.152CC..THydrogen-bonded Turntrans-67.2-14.7174-70.9173.6177.200113.5T282 R284 S285 S286 I288 C306 V338T282-E304 HydrophobicContact CG2-CB 3.98Å; T282-E304 WeakPolarHBondContact O-CB 3.36Å; T282-E304 PolarHBondContact O-N 2.86Å; R284-E304 WeakPolarHBondContact CB-OE2 3.45Å; R284-E304 PolarHBondContact N-OE1 3.42Å; R284-E304 PolarHBondContact N-OE2 2.95Å; S285-E304 PolarHBondContact N-OE1 3.01Å; S285-E304 PolarHBondContact OG-OE1 2.85Å; S286-E304 VanDerWaalsContact CB-OE1 3.24Å; S286-E304 WeakPolarHBondContact CB-OE1 3.49Å; S286-E304 PolarHBondContact N-OE1 3.18Å; S286-E304 VanDerWaalsContact OG-CG 3.27Å; S286-E304 WeakPolarHBondContact OG-CG 3.32Å; S286-E304 PolarHBondContact OG-OE1 3.17Å; I288-E304 HydrophobicContact CD1-CG 4.1Å; E304-C306 VanDerWaalsContact C-N 3.29Å; E304-C306 PolarHBondContact O-N 3.35Å; E304-V338 HydrophobicContact CB-CG1 4.47Å; E304-V338 HydrophobicContact CB-CG2 4.42Å; E304-V338 HydrophobicContact CG-CG1 4.09Å
305D96.1Very high90.9Very high53 Ų5333.6 Ų33.628%0.28316%0.156SC..THydrogen-bonded Turntrans-92.422.9174.954.829.3000113.3T282 S303 M307 Y309T282-D305 PolarHBondContact OG1-OD2 3.34Å; S303-D305 WeakPolarHBondContact CB-OD1 3.15Å; S303-D305 PolarHBondContact O-N 3.09Å; S303-D305 PolarHBondContact OG-OD1 3.05Å; S303-D305 PolarHBondContact OG-OD2 3.33Å; D305-M307 WeakPolarHBondContact O-CG 3.19Å; D305-M307 PolarHBondContact O-N 2.82Å; D305-M307 VanDerWaalsContact O-N 3.14Å; D305-M307 WeakPolarHBondContact OD1-CB 3.37Å; D305-M307 PolarHBondContact OD1-N 2.89Å; D305-Y309 PolarHBondContact OD2-OH 2.96Å
306C96.4Very high88.9Confident30 Ų3038 Ų3820%0.20318%0.179CC..SBendtrans67.48.9175.6-47.80000115.4S303 E304 T334 H335 A337 V339S303-C306 PolarHBondContact O-N 3.36Å; E304-C306 VanDerWaalsContact C-N 3.29Å; E304-C306 PolarHBondContact O-N 3.35Å; C306-T334 PolarHBondContact O-N 3.08Å; C306-H335 WeakPolarHBondContact CB-O 3.49Å; C306-A337 WeakPolarHBondContact CA-O 3.35Å; C306-A337 WeakPolarHBondContact CB-O 3.45Å; C306-A337 PolarHBondContact SG-O 2.86Å; C306-V339 VanDerWaalsContact C-CG2 3.47Å; C306-V339 WeakPolarHBondContact O-CG2 3.3Å
307M95.7Very high86.8Confident42 Ų4243.1 Ų43.121%0.20721%0.214CC..EExtended strand (participates in β ladder)trans-100.9156.5-179.2-59-84.2171.800112.4S303 D305 Y309 W332 E333S303-M307 VanDerWaalsContact CB-O 3.26Å; S303-M307 WeakPolarHBondContact CB-O 3.47Å; S303-M307 PolarHBondContact N-O 2.7Å; D305-M307 WeakPolarHBondContact O-CG 3.19Å; D305-M307 PolarHBondContact O-N 2.82Å; D305-M307 VanDerWaalsContact O-N 3.14Å; D305-M307 WeakPolarHBondContact OD1-CB 3.37Å; D305-M307 PolarHBondContact OD1-N 2.89Å; M307-Y309 HydrophobicContact CB-CD2 4.1Å; M307-Y309 HydrophobicContact CB-CE2 3.6Å; M307-Y309 HydrophobicContact CG-CE2 4.41Å; M307-W332 WeakPolarHBondContact CA-O 2.98Å; M307-E333 HydrophobicContact CE-CB 3.74Å; M307-E333 HydrophobicContact CE-CG 4.05Å; M307-E333 WeakPolarHBondContact SD-CA 3.38Å; M307-E333 HydrophobicContact SD-CB 3.71Å; M307-E333 HydrophobicContact SD-CG 4.34Å; M307-E333 PolarHBondContact SD-N 3.49Å
308V95.2Very high84.7Confident0 Ų047.2 Ų47.20%024%0.238CC..EExtended strand (participates in β ladder)trans-102.8133161.3170.80000108.6I300 H331 W332 T334 V339 A342I300-V308 HydrophobicContact CD1-CG1 3.69Å; I300-V308 HydrophobicContact CG1-CG1 3.63Å; V308-H331 WeakPolarHBondContact O-CA 3.42Å; V308-H331 WeakPolarHBondContact O-CB 3.24Å; V308-W332 HydrophobicContact CB-CZ2 4.07Å; V308-W332 HydrophobicContact CG1-CH2 4.07Å; V308-W332 HydrophobicContact CG1-CZ2 3.51Å; V308-W332 PolarHBondContact N-O 3.12Å; V308-W332 PolarHBondContact O-N 3.46Å; V308-T334 HydrophobicContact CB-CG2 4.11Å; V308-T334 HydrophobicContact CG2-CG2 3.86Å; V308-T334 WeakPolarHBondContact CG2-OG1 3.3Å; V308-V339 HydrophobicContact CG2-CG1 3.84Å; V308-A342 HydrophobicContact CG1-CB 4.28Å; V308-A342 HydrophobicContact CG2-CB 4.26Å
309Y95.2Very high82.4Confident19 Ų1950.5 Ų50.58%0.07526%0.26CS..EExtended strand (participates in β ladder)trans-111.1143.5177.5-74.3-104.2000111.1G280 F281 I300 A301 D305 M307 W311 R330 H331G280-Y309 VanDerWaalsContact C-CE1 3.41Å; G280-Y309 PolarHBondContact O-OH 3.49Å; F281-Y309 HydrophobicContact CB-CD1 4.32Å; F281-Y309 HydrophobicContact CB-CD2 3.51Å; F281-Y309 HydrophobicContact CB-CE2 3.81Å; F281-Y309 HydrophobicContact CB-CG 3.8Å; I300-Y309 CarbonylContact C-O 3.5Å; I300-Y309 VanDerWaalsContact CA-O 3.3Å; I300-Y309 WeakPolarHBondContact CA-O 3.2Å; I300-Y309 WeakPolarHBondContact CG1-O 3.15Å; A301-Y309 PolarHBondContact N-O 3.45Å; A301-Y309 PolarHBondContact O-N 3.02Å; D305-Y309 PolarHBondContact OD2-OH 2.96Å; M307-Y309 HydrophobicContact CB-CD2 4.1Å; M307-Y309 HydrophobicContact CB-CE2 3.6Å; M307-Y309 HydrophobicContact CG-CE2 4.41Å; Y309-W311 HydrophobicContact CD1-CH2 4.47Å; Y309-W311 HydrophobicContact CD1-CZ2 4.04Å; Y309-W311 HydrophobicContact CG-CH2 4.01Å; Y309-W311 HydrophobicContact CG-CZ2 4.05Å; Y309-W311 WeakPolarHBondContact O-CZ3 3.44Å; Y309-R330 WeakPolarHBondContact CA-O 3.36Å; Y309-H331 HydrophobicContact CD1-CB 3.61Å; Y309-H331 HydrophobicContact CD2-CB 4.22Å; Y309-H331 HydrophobicContact CE1-CB 3.6Å; Y309-H331 AromaticContact CE1-CD2 3.87Å; Y309-H331 AromaticContact CE1-CG 3.82Å; Y309-H331 HydrophobicContact CE2-CB 4.23Å; Y309-H331 HydrophobicContact CG-CB 3.9Å
310M93.8Very high79.8Confident19 Ų1957.5 Ų57.59%0.09430%0.296CS..EExtended strand (participates in β ladder)trans-135.7136.7176.1-176176.566.400111.6F298 I299 S329 R330 W332 F344F298-M310 HydrophobicContact CB-CG 4.26Å; F298-M310 HydrophobicContact CB-SD 4.4Å; F298-M310 HydrophobicContact CD1-CG 4.23Å; F298-M310 HydrophobicContact CD1-SD 4.15Å; F298-M310 HydrophobicContact CG-SD 4.39Å; I299-M310 CarbonylContact O-C 3.5Å; I299-M310 WeakPolarHBondContact O-CA 3.41Å; I299-M310 WeakPolarHBondContact O-CG 3.46Å; M310-S329 WeakPolarHBondContact O-CA 3.25Å; M310-R330 PolarHBondContact N-O 3.04Å; M310-R330 PolarHBondContact O-N 3.22Å; M310-W332 HydrophobicContact CB-CH2 3.73Å; M310-W332 HydrophobicContact CB-CZ3 3.87Å; M310-W332 HydrophobicContact CE-CH2 4.26Å; M310-W332 HydrophobicContact CE-CZ3 4.27Å; M310-W332 HydrophobicContact SD-CH2 4.33Å; M310-F344 HydrophobicContact CG-CZ 4.15Å; M310-F344 HydrophobicContact SD-CE1 4.06Å; M310-F344 HydrophobicContact SD-CZ 3.8Å
311W92.6Very high77.3Confident3 Ų363.2 Ų63.21%0.01133%0.334CS..EExtended strand (participates in β ladder)trans-127.5150.2179.6-56.5-98000110.8I264 Y278 R279 F281 F298 I299 A301 Y309I264-W311 HydrophobicContact CD1-CE3 4.33Å; I264-W311 HydrophobicContact CD1-CH2 3.51Å; I264-W311 HydrophobicContact CD1-CZ2 4.18Å; I264-W311 HydrophobicContact CD1-CZ3 3.62Å; Y278-W311 HydrophobicContact CD1-CB 3.61Å; Y278-W311 AromaticContact CD1-CD1 3.59Å; Y278-W311 HydrophobicContact CD1-CD2 4.46Å; Y278-W311 AromaticContact CD1-CG 3.62Å; Y278-W311 HydrophobicContact CD1-CG 3.62Å; Y278-W311 HydrophobicContact CE1-CB 3.82Å; Y278-W311 HydrophobicContact CE1-CG 4.34Å; Y278-W311 HydrophobicContact CG-CB 4.35Å; Y278-W311 HydrophobicContact CG-CG 4.09Å; R279-W311 WeakPolarHBondContact O-CZ2 3.29Å; R279-W311 PolarHBondContact O-NE1 2.84Å; F281-W311 HydrophobicContact CB-CH2 4.15Å; F281-W311 HydrophobicContact CB-CZ2 4.37Å; F281-W311 HydrophobicContact CD1-CH2 4.1Å; F281-W311 HydrophobicContact CD1-CZ2 4.17Å; F281-W311 HydrophobicContact CG-CH2 4.2Å; F298-W311 CarbonylContact C-O 3.59Å; F298-W311 WeakPolarHBondContact CA-O 3.42Å; I299-W311 HydrophobicContact CB-CE3 4.32Å; I299-W311 HydrophobicContact CG2-CE3 4.03Å; I299-W311 HydrophobicContact CG2-CZ3 4.39Å; I299-W311 PolarHBondContact N-O 3.14Å; I299-W311 PolarHBondContact O-N 2.71Å; A301-W311 HydrophobicContact CB-CH2 4.04Å; A301-W311 HydrophobicContact CB-CZ3 3.82Å; Y309-W311 HydrophobicContact CD1-CH2 4.47Å; Y309-W311 HydrophobicContact CD1-CZ2 4.04Å; Y309-W311 HydrophobicContact CG-CH2 4.01Å; Y309-W311 HydrophobicContact CG-CZ2 4.05Å; Y309-W311 WeakPolarHBondContact O-CZ3 3.44Å
312K89.1Confident74.6Confident117 Ų11769.4 Ų69.451%0.50937%0.366SS..EExtended strand (participates in β ladder)trans-80.1139.3167.1-71.6-177.2175.5-171.50110.5Y278 Q297 F298 F315Y278-K312 WeakPolarHBondContact CE1-O 3.36Å; Y278-K312 PolarHBondContact OH-O 3.18Å; Q297-K312 WeakPolarHBondContact O-CA 3.21Å; F298-K312 HydrophobicContact CD1-CG 3.86Å; F298-K312 HydrophobicContact CE1-CD 4.33Å; F298-K312 HydrophobicContact CE1-CG 3.51Å; F298-K312 HydrophobicContact CZ-CG 4.44Å; K312-F315 WeakPolarHBondContact O-CE2 3.39Å; K312-F315 VanDerWaalsContact O-CZ 3.24Å; K312-F315 WeakPolarHBondContact O-CZ 3.39Å
313T85.9Confident71.9Confident18 Ų1875.9 Ų75.911%0.1141%0.408CS..SBendtrans-91-38.8174.860.20000112.1F292 G296 Q297 I299 F315F292-T313 HydrophobicContact CD1-CG2 4.13Å; F292-T313 HydrophobicContact CE1-CG2 4.01Å; G296-T313 WeakPolarHBondContact O-CB 3.38Å; G296-T313 WeakPolarHBondContact O-CG2 3.21Å; G296-T313 PolarHBondContact O-OG1 2.65Å; Q297-T313 WeakPolarHBondContact CA-OG1 3.34Å; Q297-T313 PolarHBondContact O-N 3.14Å; Q297-T313 PolarHBondContact O-OG1 2.87Å; I299-T313 HydrophobicContact CD1-CG2 3.56Å; I299-T313 HydrophobicContact CG1-CG2 3.56Å; T313-F315 WeakPolarHBondContact O-CD2 3.27Å; T313-F315 WeakPolarHBondContact O-CE2 3.37Å
314R69.6Low69.5Low149 Ų14979.2 Ų79.256%0.56244%0.442SS*.  trans-92.6136.6179.5-62.7-174-176.5-176.6-0.9110.2
315F55Low67.3Low97 Ų9782.7 Ų82.743%0.42545%0.454SS..  trans-126.1138175-60.6-91.8000106.3K312 T313 S317K312-F315 WeakPolarHBondContact O-CE2 3.39Å; K312-F315 VanDerWaalsContact O-CZ 3.24Å; K312-F315 WeakPolarHBondContact O-CZ 3.39Å; T313-F315 WeakPolarHBondContact O-CD2 3.27Å; T313-F315 WeakPolarHBondContact O-CE2 3.37Å; F315-S317 PolarHBondContact O-N 3.01Å; F315-S317 VanDerWaalsContact O-N 3.15Å
316D48.9Very low65.3Low126 Ų12688.3 Ų88.367%0.67448%0.476SS*.  trans-53.2123.9177.9-86.5-37.5000109.4N318 T319D316-N318 PolarHBondContact O-N 3.12Å; D316-T319 PolarHBondContact O-N 2.94Å; D316-T319 PolarHBondContact O-OG1 3.37Å
317S45.7Very low63.7Low111 Ų11188.4 Ų88.478%0.77648%0.475SS*.THydrogen-bonded Turntrans-54.7-22.2173.647.70000112.5F315 T319F315-S317 PolarHBondContact O-N 3.01Å; F315-S317 VanDerWaalsContact O-N 3.15Å; S317-T319 PolarHBondContact O-N 2.88Å
318N44.2Very low62.5Low149 Ų14996.9 Ų96.980%0.79750%0.504SS*.THydrogen-bonded Turntrans-74.3-12.8178.4-64.7-5.3000113.3D316D316-N318 PolarHBondContact O-N 3.12Å
319T44.1Very low61.7Low93 Ų9398.6 Ų98.657%0.57152%0.516SS*.SBendtrans-94.5108.2166.647.60000108.6D316 S317D316-T319 PolarHBondContact O-N 2.94Å; D316-T319 PolarHBondContact O-OG1 3.37Å; S317-T319 PolarHBondContact O-N 2.88Å
320L41.9Very low61.1Low146 Ų146105.8 Ų105.876%0.76454%0.543SS*.  trans-41.7137.8171.8-75.2162.7000109.6L322L320-L322 PolarHBondContact O-N 2.95Å
321P44.1Very low60.6Low121 Ų121109.7 Ų109.779%0.78656%0.561SS**  trans-66.386.5176.827.6-31.9000108.3P323P321-P323 WeakPolarHBondContact O-CD 3.48Å
322L41Very low60.3Low129 Ų129112.9 Ų112.968%0.67557%0.573SS**  trans-58.5122.6179.2-76.9156.8000108.2L320 G324 R325L320-L322 PolarHBondContact O-N 2.95Å; L322-G324 PolarHBondContact O-N 2.87Å; L322-R325 PolarHBondContact O-N 2.98Å; L322-R325 VanDerWaalsContact O-N 3.14Å
323P40.1Very low60.1Low136 Ų136113.9 Ų113.988%0.88358%0.58SS**THydrogen-bonded Turntrans-60112.7166.3-9.823.3000106.7P321P321-P323 WeakPolarHBondContact O-CD 3.48Å
324G46.5Very low59.8Low70 Ų70114 Ų11472%0.72258%0.58SS**THydrogen-bonded Turntrans116.111.6-171.800000115.7L322 K326L322-G324 PolarHBondContact O-N 2.87Å; G324-K326 PolarHBondContact O-N 3.29Å; G324-K326 VanDerWaalsContact O-N 3.09Å
325R52.2Low60.8Low109 Ų109107.4 Ų107.441%0.41156%0.556SS.*  trans-26.9106.8169.9-170.9176.9-175.8170.8-0.9113.8V275 C276 L322 D327V275-R325 PolarHBondContact O-NH1 2.88Å; C276-R325 PolarHBondContact SG-NH2 3.42Å; C276-R325 VanDerWaalsContact SG-NH2 3.42Å; L322-R325 PolarHBondContact O-N 2.98Å; L322-R325 VanDerWaalsContact O-N 3.14Å; R325-D327 PolarHBondContact O-N 3.1Å
326K53.2Low62.6Low170 Ų170112.1 Ų112.174%0.73958%0.579SS**  trans-84.8105.3169.3-77.8-177.8177.3177.90109.3G324 R328G324-K326 PolarHBondContact O-N 3.29Å; G324-K326 VanDerWaalsContact O-N 3.09Å; K326-R328 VanDerWaalsContact C-N 3.26Å; K326-R328 PolarHBondContact O-N 3.11Å
327D63.8Low64.8Low33 Ų33107.3 Ų107.318%0.17656%0.557CS.*  trans-62.978.2167.551.6-21000111Y278 R279 R325 S329Y278-D327 VanDerWaalsContact C-OD2 3.31Å; Y278-D327 VanDerWaalsContact CA-OD2 3.3Å; Y278-D327 WeakPolarHBondContact CA-OD2 3.21Å; Y278-D327 HydrophobicContact CD1-CB 4.34Å; R279-D327 WeakPolarHBondContact CA-OD2 3.4Å; R279-D327 VanDerWaalsContact CB-OD2 3.25Å; R279-D327 WeakPolarHBondContact CB-OD2 3.26Å; R279-D327 WeakPolarHBondContact CG-OD2 3.35Å; R279-D327 PolarHBondContact N-OD2 2.89Å; R325-D327 PolarHBondContact O-N 3.1Å; D327-S329 PolarHBondContact O-N 2.9Å
328R69.4Low67.2Low220 Ų220103.8 Ų103.883%0.8353%0.53SS*.  trans-68.6105.1176.1-68.7-172.1-179.8-170.80.7110K326K326-R328 VanDerWaalsContact C-N 3.26Å; K326-R328 PolarHBondContact O-N 3.11Å
329S79.8Confident69.7Low36 Ų3696.7 Ų96.725%0.25249%0.492SS..  trans-77.6148.7165.5540000111M310 D327M310-S329 WeakPolarHBondContact O-CA 3.25Å; D327-S329 PolarHBondContact O-N 2.9Å
330R82Confident72.3Confident169 Ų16992.5 Ų92.564%0.63847%0.467SS*.EExtended strand (participates in β ladder)trans-94.9143.3150.1-68.5-177.7178.3176-2107.7Y309 M310 W332Y309-R330 WeakPolarHBondContact CA-O 3.36Å; M310-R330 PolarHBondContact N-O 3.04Å; M310-R330 PolarHBondContact O-N 3.22Å; R330-W332 HydrophobicContact CB-CZ3 4.22Å
331H83.9Confident74.9Confident101 Ų10185.8 Ų85.847%0.46843%0.432SS..EExtended strand (participates in β ladder)trans-143.9157.417461.585.3000109.8V308 Y309V308-H331 WeakPolarHBondContact O-CA 3.42Å; V308-H331 WeakPolarHBondContact O-CB 3.24Å; Y309-H331 HydrophobicContact CD1-CB 3.61Å; Y309-H331 HydrophobicContact CD2-CB 4.22Å; Y309-H331 HydrophobicContact CE1-CB 3.6Å; Y309-H331 AromaticContact CE1-CD2 3.87Å; Y309-H331 AromaticContact CE1-CG 3.82Å; Y309-H331 HydrophobicContact CE2-CB 4.23Å; Y309-H331 HydrophobicContact CG-CB 3.9Å
332W86.8Confident77.5Confident70 Ų7080 Ų8027%0.26540%0.395SS..EExtended strand (participates in β ladder)trans-154.7148.517854.396.1000109.7M307 V308 M310 R330 T334 I396M307-W332 WeakPolarHBondContact CA-O 2.98Å; V308-W332 HydrophobicContact CB-CZ2 4.07Å; V308-W332 HydrophobicContact CG1-CH2 4.07Å; V308-W332 HydrophobicContact CG1-CZ2 3.51Å; V308-W332 PolarHBondContact N-O 3.12Å; V308-W332 PolarHBondContact O-N 3.46Å; M310-W332 HydrophobicContact CB-CH2 3.73Å; M310-W332 HydrophobicContact CB-CZ3 3.87Å; M310-W332 HydrophobicContact CE-CH2 4.26Å; M310-W332 HydrophobicContact CE-CZ3 4.27Å; M310-W332 HydrophobicContact SD-CH2 4.33Å; R330-W332 HydrophobicContact CB-CZ3 4.22Å; W332-T334 HydrophobicContact CG-CG2 4.29Å; W332-I396 HydrophobicContact CH2-CD1 3.97Å; W332-I396 HydrophobicContact CZ2-CD1 3.71Å
333E83.9Confident80.2Confident139 Ų13974.2 Ų74.265%0.6537%0.365SS*.EExtended strand (participates in β ladder)trans-74.3131.1177.4-163.2174.3170.300108.2M307M307-E333 HydrophobicContact CE-CB 3.74Å; M307-E333 HydrophobicContact CE-CG 4.05Å; M307-E333 WeakPolarHBondContact SD-CA 3.38Å; M307-E333 HydrophobicContact SD-CB 3.71Å; M307-E333 HydrophobicContact SD-CG 4.34Å; M307-E333 PolarHBondContact SD-N 3.49Å
334T80.7Confident82.8Confident20 Ų2068.5 Ų68.512%0.12333%0.326CS..  trans-128.7-24.8-174.147.80000113.7C306 V308 W332 F408C306-T334 PolarHBondContact O-N 3.08Å; V308-T334 HydrophobicContact CB-CG2 4.11Å; V308-T334 HydrophobicContact CG2-CG2 3.86Å; V308-T334 WeakPolarHBondContact CG2-OG1 3.3Å; W332-T334 HydrophobicContact CG-CG2 4.29Å; T334-F408 HydrophobicContact CG2-CE1 3.94Å; T334-F408 HydrophobicContact CG2-CE2 3.89Å; T334-F408 HydrophobicContact CG2-CZ 3.51Å
335H89.8Confident85.2Confident10 Ų1065.3 Ų65.35%0.04629%0.293CS..  trans-143.7162.3-172.1-65.5-79.4000109.3C306 A337 V339 S398 D400 S406C306-H335 WeakPolarHBondContact CB-O 3.49Å; H335-A337 VanDerWaalsContact C-N 3.34Å; H335-V339 HydrophobicContact CB-CG2 4.12Å; H335-S398 PolarHBondContact NE2-O 2.98Å; H335-S398 PolarHBondContact NE2-OG 2.95Å; H335-D400 HydrophobicContact CB-CB 3.85Å; H335-D400 IonicContact ND1-OD2 3.85Å; H335-S406 PolarHBondContact CE1-OG 2.97Å
336Q92Very high87.2Confident197 Ų19762 Ų6292%0.92129%0.285SS*.SBendtrans-91.9-1.4174.3-65.3-176.2-21.700112.6
337A95.2Very high89.1Confident24 Ų2458.5 Ų58.520%0.19827%0.27CS..SBendtrans-131.3172.6178.300000111C306 H335 V339 D400 F401C306-A337 WeakPolarHBondContact CA-O 3.35Å; C306-A337 WeakPolarHBondContact CB-O 3.45Å; C306-A337 PolarHBondContact SG-O 2.86Å; H335-A337 VanDerWaalsContact C-N 3.34Å; A337-V339 PolarHBondContact O-N 3.37Å; A337-D400 HydrophobicContact CB-CB 4.37Å; A337-F401 HydrophobicContact CB-CB 4.34Å
338V97Very high90.4Very high37 Ų3757 Ų5722%0.22426%0.263CS..  trans-49.2124.6175.9171.10000110.3I288 E304 T340 D400 F401I288-V338 HydrophobicContact CD1-CG1 4.48Å; E304-V338 HydrophobicContact CB-CG1 4.47Å; E304-V338 HydrophobicContact CB-CG2 4.42Å; E304-V338 HydrophobicContact CG-CG1 4.09Å; V338-T340 HydrophobicContact CG1-CG2 4.29Å; V338-T340 PolarHBondContact O-N 3.39Å; V338-D400 CarbonylContact O-C 2.94Å; V338-D400 WeakPolarHBondContact O-CA 3.19Å; V338-D400 WeakPolarHBondContact O-CB 2.91Å; V338-F401 HydrophobicContact CB-CB 4.1Å; V338-F401 PolarHBondContact O-N 2.79Å
339V97.4Very high91.4Very high0 Ų052 Ų520%025%0.252CS..EExtended strand (participates in β ladder)trans-82.1101.3176.3-170.90000108.4G302 S303 C306 V308 H335 A337 A399G302-V339 CarbonylContact C-O 3.6Å; G302-V339 WeakPolarHBondContact CA-O 3.41Å; S303-V339 PolarHBondContact N-O 2.88Å; S303-V339 VanDerWaalsContact N-O 3.13Å; S303-V339 PolarHBondContact O-N 3.11Å; C306-V339 VanDerWaalsContact C-CG2 3.47Å; C306-V339 WeakPolarHBondContact O-CG2 3.3Å; V308-V339 HydrophobicContact CG2-CG1 3.84Å; H335-V339 HydrophobicContact CB-CG2 4.12Å; A337-V339 PolarHBondContact O-N 3.37Å; V339-A399 CarbonylContact C-O 3.51Å; V339-A399 WeakPolarHBondContact CG1-O 3.2Å
340T97.5Very high91.9Very high6 Ų652 Ų524%0.03725%0.25CS..EExtended strand (participates in β ladder)trans-78.1-30.1-173.947.10000112.5V13 W14 V338 A399 D400 F401V13-T340 VanDerWaalsContact O-CB 3.26Å; V13-T340 WeakPolarHBondContact O-CB 3.37Å; V13-T340 PolarHBondContact O-OG1 2.98Å; W14-T340 HydrophobicContact CE3-CG2 4.03Å; W14-T340 HydrophobicContact CZ3-CG2 3.87Å; V338-T340 HydrophobicContact CG1-CG2 4.29Å; V338-T340 PolarHBondContact O-N 3.39Å; T340-A399 PolarHBondContact N-O 2.58Å; T340-A399 PolarHBondContact OG1-O 2.72Å; T340-D400 PolarHBondContact OG1-O 3.08Å; T340-F401 HydrophobicContact CG2-CB 4.13Å; T340-F401 HydrophobicContact CG2-CD2 4.17Å
341S97.4Very high92.3Very high4 Ų444 Ų443%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-146.8140.3-178-163.80000112.1M16 S398 A399M16-S341 VanDerWaalsContact CE-O 3.32Å; M16-S341 WeakPolarHBondContact CE-O 3.38Å; S341-S398 CarbonylContact O-C 3.57Å; S341-S398 VanDerWaalsContact O-CA 3.27Å; S341-S398 WeakPolarHBondContact O-CA 3.5Å; S341-A399 PolarHBondContact N-O 2.83Å; S341-A399 PolarHBondContact O-N 2.76Å
342A97.6Very high92.6Very high1 Ų139.5 Ų39.51%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-144133.6172.600000109.5I300 V308 V397I300-A342 HydrophobicContact CD1-CB 3.97Å; I300-A342 HydrophobicContact CG1-CB 3.89Å; V308-A342 HydrophobicContact CG1-CB 4.28Å; V308-A342 HydrophobicContact CG2-CB 4.26Å; A342-V397 CarbonylContact C-O 3.5Å; A342-V397 WeakPolarHBondContact CA-O 3.07Å
343V97.5Very high92.7Very high7 Ų738 Ų384%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-140.6147.5-174.4-64.60000111.4M16 F18 L25 R291 I396 V397M16-V343 HydrophobicContact CB-CG1 4.21Å; M16-V343 HydrophobicContact CB-CG2 4.14Å; M16-V343 HydrophobicContact CE-CG2 4.16Å; F18-V343 HydrophobicContact CD2-CG2 4.06Å; F18-V343 HydrophobicContact CE2-CG2 3.83Å; L25-V343 HydrophobicContact CD1-CG2 4.48Å; R291-V343 HydrophobicContact CG-CG1 4.34Å; V343-I396 WeakPolarHBondContact O-CA 3.48Å; V343-V397 HydrophobicContact CG2-CB 4.06Å; V343-V397 PolarHBondContact N-O 3Å; V343-V397 PolarHBondContact O-N 2.79Å
344F96.1Very high93.1Very high16 Ų1632.2 Ų32.27%0.0718%0.175CC..EExtended strand (participates in β ladder)trans-86.3145.3167.1-68.2-75.2000110.7S293 F298 I300 M310 E394 L395 I396S293-F344 VanDerWaalsContact CA-CD2 3.41Å; F298-F344 HydrophobicContact CB-CE2 4.18Å; F298-F344 HydrophobicContact CB-CZ 3.87Å; I300-F344 HydrophobicContact CB-CD2 4.02Å; I300-F344 HydrophobicContact CB-CE2 3.39Å; I300-F344 HydrophobicContact CB-CZ 3.72Å; I300-F344 HydrophobicContact CD1-CE1 4.41Å; I300-F344 HydrophobicContact CD1-CZ 4.29Å; I300-F344 HydrophobicContact CG2-CD2 3.47Å; I300-F344 VanDerWaalsContact CG2-CD2 3.47Å; I300-F344 HydrophobicContact CG2-CE2 3.38Å; I300-F344 HydrophobicContact CG2-CG 4.31Å; I300-F344 HydrophobicContact CG2-CZ 4.13Å; M310-F344 HydrophobicContact CG-CZ 4.15Å; M310-F344 HydrophobicContact SD-CE1 4.06Å; M310-F344 HydrophobicContact SD-CZ 3.8Å; F344-E394 HydrophobicContact CD1-CB 4.38Å; F344-E394 HydrophobicContact CE1-CB 4.39Å; F344-E394 HydrophobicContact CE1-CG 4.4Å; F344-L395 WeakPolarHBondContact CA-O 3.37Å; F344-I396 HydrophobicContact CD1-CD1 4.39Å; F344-I396 HydrophobicContact CD1-CG1 3.73Å; F344-I396 HydrophobicContact CE1-CD1 3.87Å; F344-I396 HydrophobicContact CE1-CG1 3.72Å
345A95.9Very high93.4Very high2 Ų231.3 Ų31.32%0.01717%0.169CC..  trans-65.6135.216400000110.2F18 K347 I351 L395F18-A345 HydrophobicContact CE1-CB 4.34Å; F18-A345 HydrophobicContact CE2-CB 4.25Å; F18-A345 HydrophobicContact CZ-CB 4Å; A345-K347 VanDerWaalsContact C-N 3.29Å; A345-K347 PolarHBondContact O-N 3.29Å; A345-I351 HydrophobicContact CB-CD1 3.72Å; A345-L395 HydrophobicContact CB-CB 3.91Å; A345-L395 HydrophobicContact CB-CD2 3.78Å; A345-L395 HydrophobicContact CB-CG 4.44Å; A345-L395 PolarHBondContact N-O 3.37Å
346P94.5Very high93.3Very high40 Ų4032.9 Ų32.926%0.2618%0.177SC..SBendtrans-73.9-21-177.928.5-35.1000113.1F18 H294F18-P346 VanDerWaalsContact CB-CD 3.46Å; F18-P346 HydrophobicContact CB-CG 3.77Å; F18-P346 VanDerWaalsContact CG-CD 3.46Å; F18-P346 HydrophobicContact CG-CG 4.27Å; H294-P346 WeakPolarHBondContact CB-O 3.36Å
347K93.4Very high93.1Very high96 Ų9631.1 Ų31.142%0.41716%0.162SC..  trans-136.171.3-178-61.3-169.2-177.6175.60111.1D20 A345 D349 V350D20-K347 WeakPolarHBondContact O-CE 3.35Å; D20-K347 PolarHBondContact O-NZ 3.23Å; A345-K347 VanDerWaalsContact C-N 3.29Å; A345-K347 PolarHBondContact O-N 3.29Å; K347-D349 PolarHBondContact O-N 3.43Å; K347-V350 HydrophobicContact CB-CG2 4.01Å; K347-V350 PolarHBondContact O-N 3.43Å
348P91.2Very high92.7Very high3 Ų331.7 Ų31.72%0.01917%0.166CC..Hα-helixtrans-58-37.4-177.523.7-32.9000112.1V350 I351 F352 Q393P348-V350 PolarHBondContact O-N 3.23Å; P348-V350 VanDerWaalsContact O-N 3.12Å; P348-I351 WeakPolarHBondContact O-CA 3.44Å; P348-I351 VanDerWaalsContact O-CB 3.3Å; P348-I351 WeakPolarHBondContact O-CB 3.25Å; P348-I351 PolarHBondContact O-N 2.82Å; P348-F352 HydrophobicContact CB-CD2 4.18Å; P348-F352 HydrophobicContact CB-CE2 4.21Å; P348-F352 WeakPolarHBondContact O-CD2 3.39Å; P348-F352 PolarHBondContact O-N 3.2Å; P348-Q393 HydrophobicContact CB-CB 4.48Å; P348-Q393 VanDerWaalsContact CB-O 3.31Å; P348-Q393 WeakPolarHBondContact CB-O 3.11Å; P348-Q393 VanDerWaalsContact CG-O 3.29Å; P348-Q393 WeakPolarHBondContact CG-O 3.44Å
349D90Very high92.1Very high114 Ų11431.1 Ų31.161%0.6116%0.16SC*.Hα-helixtrans-55-36.4-178.8-54.4-27.4000113.4K347 I351 A353K347-D349 PolarHBondContact O-N 3.43Å; D349-I351 VanDerWaalsContact C-N 3.27Å; D349-I351 PolarHBondContact O-N 3.4Å; D349-A353 WeakPolarHBondContact O-CB 2.98Å; D349-A353 PolarHBondContact O-N 2.89Å
350V90.7Very high91.5Very high36 Ų3638 Ų3822%0.21819%0.186CC..Hα-helixtrans-63.8-37.6177.6177.10000110.8R23 L39 K347 P348 Q354R23-V350 HydrophobicContact CG-CG1 4.39Å; L39-V350 HydrophobicContact CD1-CG1 4.38Å; K347-V350 HydrophobicContact CB-CG2 4.01Å; K347-V350 PolarHBondContact O-N 3.43Å; P348-V350 PolarHBondContact O-N 3.23Å; P348-V350 VanDerWaalsContact O-N 3.12Å; V350-Q354 PolarHBondContact O-N 3.26Å; V350-Q354 VanDerWaalsContact O-N 3.17Å
351I90.9Very high90.9Very high0 Ų046.8 Ų46.80%022%0.219CC..Hα-helixtrans-74.4-48.4-179.5-56.4-179.7000109.6L39 P95 A345 P348 D349 A353 Q354 I355 L395L39-I351 HydrophobicContact CD1-CD1 4.41Å; L39-I351 HydrophobicContact CD1-CG1 3.74Å; L39-I351 HydrophobicContact CD2-CD1 4.26Å; L39-I351 HydrophobicContact CD2-CG1 4.14Å; P95-I351 HydrophobicContact CB-CG2 3.52Å; P95-I351 HydrophobicContact CG-CG2 4.23Å; A345-I351 HydrophobicContact CB-CD1 3.72Å; P348-I351 WeakPolarHBondContact O-CA 3.44Å; P348-I351 VanDerWaalsContact O-CB 3.3Å; P348-I351 WeakPolarHBondContact O-CB 3.25Å; P348-I351 PolarHBondContact O-N 2.82Å; D349-I351 VanDerWaalsContact C-N 3.27Å; D349-I351 PolarHBondContact O-N 3.4Å; I351-A353 VanDerWaalsContact C-N 3.33Å; I351-A353 PolarHBondContact O-N 2.8Å; I351-Q354 WeakPolarHBondContact O-CB 3.05Å; I351-Q354 PolarHBondContact O-N 2.86Å; I351-Q354 VanDerWaalsContact O-N 3.1Å; I351-I355 HydrophobicContact CG2-CD1 4.06Å; I351-I355 WeakPolarHBondContact O-CG1 3.46Å; I351-I355 PolarHBondContact O-N 2.8Å; I351-L395 HydrophobicContact CD1-CB 4.13Å; I351-L395 HydrophobicContact CD1-CD1 3.75Å; I351-L395 HydrophobicContact CD1-CD2 4.2Å; I351-L395 HydrophobicContact CD1-CG 4.25Å; I351-L395 HydrophobicContact CG2-CD1 3.73Å
352F90.2Very high90.1Very high7 Ų748.5 Ų48.53%0.03123%0.227CC..Hα-helixtrans-64.7-36.9178.4-78.5-85.8000112.2P348 Q354 I355 E356 I387 Q393 L409P348-F352 HydrophobicContact CB-CD2 4.18Å; P348-F352 HydrophobicContact CB-CE2 4.21Å; P348-F352 WeakPolarHBondContact O-CD2 3.39Å; P348-F352 PolarHBondContact O-N 3.2Å; F352-Q354 VanDerWaalsContact C-N 3.33Å; F352-Q354 PolarHBondContact O-N 2.87Å; F352-I355 PolarHBondContact O-N 2.78Å; F352-E356 WeakPolarHBondContact O-CB 3.06Å; F352-E356 PolarHBondContact O-N 3.31Å; F352-I387 HydrophobicContact CD1-CD1 4.33Å; F352-I387 HydrophobicContact CD1-CG2 3.72Å; F352-I387 HydrophobicContact CE1-CG2 4.05Å; F352-Q393 HydrophobicContact CD1-CG 4.25Å; F352-Q393 HydrophobicContact CD2-CB 3.73Å; F352-Q393 HydrophobicContact CD2-CG 4.01Å; F352-Q393 VanDerWaalsContact CD2-OE1 3.24Å; F352-Q393 HydrophobicContact CE1-CG 4.13Å; F352-Q393 HydrophobicContact CE2-CB 3.49Å; F352-Q393 VanDerWaalsContact CE2-CB 3.49Å; F352-Q393 HydrophobicContact CE2-CG 3.93Å; F352-Q393 HydrophobicContact CG-CB 4.39Å; F352-Q393 VanDerWaalsContact CG-CD 3.47Å; F352-Q393 HydrophobicContact CG-CG 4.18Å; F352-Q393 HydrophobicContact CZ-CB 3.93Å; F352-Q393 HydrophobicContact CZ-CG 3.97Å; F352-L409 HydrophobicContact CE1-CD2 4.33Å; F352-L409 HydrophobicContact CE2-CD2 4Å; F352-L409 HydrophobicContact CZ-CB 4.43Å; F352-L409 HydrophobicContact CZ-CD2 3.75Å
353A88.9Confident89.3Confident40 Ų4051.2 Ų51.233%0.33124%0.241SC..Hα-helixtrans-63.8-36.3172.100000112.5D349 I351 R357D349-A353 WeakPolarHBondContact O-CB 2.98Å; D349-A353 PolarHBondContact O-N 2.89Å; I351-A353 VanDerWaalsContact C-N 3.33Å; I351-A353 PolarHBondContact O-N 2.8Å; A353-R357 WeakPolarHBondContact O-CB 3.4Å; A353-R357 VanDerWaalsContact O-CG 3.24Å; A353-R357 WeakPolarHBondContact O-CG 3.29Å; A353-R357 PolarHBondContact O-N 3.44Å; A353-R357 VanDerWaalsContact O-N 3.11Å
354Q91.2Very high88.4Confident17 Ų1756.8 Ų56.88%0.07927%0.271CS..Hα-helixtrans-63.5-48.9172.7173.3-172.7-63.800111.1S41 P95 V350 I351 F352 E356 R357 A358S41-Q354 PolarHBondContact OG-OE1 2.94Å; P95-Q354 PolarHBondContact O-NE2 3.18Å; V350-Q354 PolarHBondContact O-N 3.26Å; V350-Q354 VanDerWaalsContact O-N 3.17Å; I351-Q354 WeakPolarHBondContact O-CB 3.05Å; I351-Q354 PolarHBondContact O-N 2.86Å; I351-Q354 VanDerWaalsContact O-N 3.1Å; F352-Q354 VanDerWaalsContact C-N 3.33Å; F352-Q354 PolarHBondContact O-N 2.87Å; Q354-E356 PolarHBondContact O-N 2.67Å; Q354-R357 PolarHBondContact O-N 3.13Å; Q354-A358 PolarHBondContact O-N 3.14Å
355I88Confident87.1Confident0 Ų059 Ų590%029%0.288CS..Hα-helixtrans-60.8-46.4-178.8-67.7168.1000110.2W93 I351 F352 R357 A358 R359 I387 L409W93-I355 HydrophobicContact CD2-CG2 4.27Å; W93-I355 HydrophobicContact CE3-CG2 3.63Å; W93-I355 HydrophobicContact CH2-CG2 4.48Å; W93-I355 HydrophobicContact CZ3-CG2 3.76Å; I351-I355 HydrophobicContact CG2-CD1 4.06Å; I351-I355 WeakPolarHBondContact O-CG1 3.46Å; I351-I355 PolarHBondContact O-N 2.8Å; F352-I355 PolarHBondContact O-N 2.78Å; I355-R357 VanDerWaalsContact C-N 3.33Å; I355-R357 PolarHBondContact O-N 2.84Å; I355-A358 PolarHBondContact O-N 2.86Å; I355-A358 VanDerWaalsContact O-N 3.17Å; I355-R359 WeakPolarHBondContact O-CB 3.18Å; I355-R359 PolarHBondContact O-N 3.32Å; I355-I387 HydrophobicContact CG2-CD1 4.01Å; I355-L409 HydrophobicContact CD1-CD1 3.37Å; I355-L409 HydrophobicContact CD1-CD2 4.42Å
356E86.3Confident85.2Confident44 Ų4460.9 Ų60.921%0.20630%0.298CS..Hα-helixtrans-63.4-37.8179179.758.3-164.600112.1F352 Q354 R359 R360F352-E356 WeakPolarHBondContact O-CB 3.06Å; F352-E356 PolarHBondContact O-N 3.31Å; Q354-E356 PolarHBondContact O-N 2.67Å; E356-R359 PolarHBondContact O-N 3.5Å; E356-R359 IonicContact OE2-NH1 2.71Å; E356-R359 PolarHBondContact OE2-NH1 2.82Å; E356-R360 WeakPolarHBondContact O-CG 3.33Å; E356-R360 PolarHBondContact O-N 2.78Å; E356-R360 IonicContact OE1-CZ 2.64Å; E356-R360 VanDerWaalsContact OE1-CZ 3.3Å; E356-R360 IonicContact OE1-NE 2.96Å; E356-R360 PolarHBondContact OE1-NE 3.48Å; E356-R360 IonicContact OE1-NH2 3.3Å; E356-R360 PolarHBondContact OE1-NH2 3.09Å
357R88.6Confident83.2Confident160 Ų16068.2 Ų68.260%0.60433%0.329SS*.Hα-helixtrans-64.5-42.1173-74.1173.5-167.2159.53.8112.3A353 Q354 I355 R361A353-R357 WeakPolarHBondContact O-CB 3.4Å; A353-R357 VanDerWaalsContact O-CG 3.24Å; A353-R357 WeakPolarHBondContact O-CG 3.29Å; A353-R357 PolarHBondContact O-N 3.44Å; A353-R357 VanDerWaalsContact O-N 3.11Å; Q354-R357 PolarHBondContact O-N 3.13Å; I355-R357 VanDerWaalsContact C-N 3.33Å; I355-R357 PolarHBondContact O-N 2.84Å; R357-R361 WeakPolarHBondContact O-CG 3.24Å; R357-R361 PolarHBondContact O-N 3.41Å; R357-R361 VanDerWaalsContact O-N 3.14Å
358A86.5Confident81Confident35 Ų3568.5 Ų68.529%0.28934%0.343SS..Hα-helixtrans-64.3-44.7177.500000111V92 Q354 I355 R360 R361 L362V92-A358 HydrophobicContact CG1-CB 4.3Å; Q354-A358 PolarHBondContact O-N 3.14Å; I355-A358 PolarHBondContact O-N 2.86Å; I355-A358 VanDerWaalsContact O-N 3.17Å; A358-R360 PolarHBondContact O-N 2.8Å; A358-R361 PolarHBondContact O-N 2.68Å; A358-L362 PolarHBondContact O-N 2.97Å; A358-L362 VanDerWaalsContact O-N 3.1Å
359R84.5Confident78.9Confident26 Ų2676.4 Ų76.410%0.09838%0.38CS..Hα-helixtrans-58.2-46.6176-179.5173.4169-123.2-1.8112.2V92 I355 E356 R361 L362 L363 L382 V385V92-R359 HydrophobicContact CG1-CB 3.91Å; I355-R359 WeakPolarHBondContact O-CB 3.18Å; I355-R359 PolarHBondContact O-N 3.32Å; E356-R359 PolarHBondContact O-N 3.5Å; E356-R359 IonicContact OE2-NH1 2.71Å; E356-R359 PolarHBondContact OE2-NH1 2.82Å; R359-R361 PolarHBondContact O-N 3.04Å; R359-L362 PolarHBondContact O-N 3.34Å; R359-L363 HydrophobicContact CG-CD1 3.97Å; R359-L363 WeakPolarHBondContact O-CG 3.21Å; R359-L363 PolarHBondContact O-N 3.27Å; R359-L382 HydrophobicContact CB-CD2 4.46Å; R359-L382 HydrophobicContact CG-CD2 3.82Å; R359-L382 PolarHBondContact NE-O 3Å; R359-L382 PolarHBondContact NH2-O 2.97Å; R359-V385 PolarHBondContact NH2-O 3.28Å
360R85.4Confident77Confident145 Ų14572 Ų7255%0.54736%0.36SS..Hα-helixtrans-62.5-39.8176.8-73.4-179.9-165.8177.93.2113.1E356 A358 L362 L363 N364E356-R360 WeakPolarHBondContact O-CG 3.33Å; E356-R360 PolarHBondContact O-N 2.78Å; E356-R360 IonicContact OE1-CZ 2.64Å; E356-R360 VanDerWaalsContact OE1-CZ 3.3Å; E356-R360 IonicContact OE1-NE 2.96Å; E356-R360 PolarHBondContact OE1-NE 3.48Å; E356-R360 IonicContact OE1-NH2 3.3Å; E356-R360 PolarHBondContact OE1-NH2 3.09Å; A358-R360 PolarHBondContact O-N 2.8Å; R360-L362 VanDerWaalsContact C-N 3.34Å; R360-L363 PolarHBondContact O-N 3.2Å; R360-N364 WeakPolarHBondContact O-CB 3.5Å; R360-N364 PolarHBondContact O-N 2.9Å; R360-N364 PolarHBondContact O-OD1 2.78Å
361R84.8Confident75.3Confident190 Ų19077.8 Ų77.872%0.71739%0.389SS*.Hα-helixtrans-61.6-43.9176.8-74174.9-178.7175.4-1.7111.7R357 A358 R359 N364 S365R357-R361 WeakPolarHBondContact O-CG 3.24Å; R357-R361 PolarHBondContact O-N 3.41Å; R357-R361 VanDerWaalsContact O-N 3.14Å; A358-R361 PolarHBondContact O-N 2.68Å; R359-R361 PolarHBondContact O-N 3.04Å; R361-N364 PolarHBondContact O-N 3.14Å; R361-S365 PolarHBondContact O-N 3.3Å
362L80.4Confident73.9Confident40 Ų4083.3 Ų83.321%0.20942%0.419CS..Hα-helixtrans-69.9-32.9179.3-165.4120.4000112.8V92 A358 R359 R360 N364 S365 K379 L382V92-L362 HydrophobicContact CG2-CD1 4.11Å; A358-L362 PolarHBondContact O-N 2.97Å; A358-L362 VanDerWaalsContact O-N 3.1Å; R359-L362 PolarHBondContact O-N 3.34Å; R360-L362 VanDerWaalsContact C-N 3.34Å; L362-N364 VanDerWaalsContact C-N 3.33Å; L362-S365 PolarHBondContact O-OG 3.28Å; L362-S365 VanDerWaalsContact O-OG 3.09Å; L362-K379 WeakPolarHBondContact O-CE 3.3Å; L362-L382 HydrophobicContact CD2-CD1 3.88Å
363L79.5Confident72.6Confident57 Ų5791 Ų9130%0.29845%0.454SS..Hα-helixtrans-67.8-35.8172.1-74.6162.4000111.7R359 R360R359-L363 HydrophobicContact CG-CD1 3.97Å; R359-L363 WeakPolarHBondContact O-CG 3.21Å; R359-L363 PolarHBondContact O-N 3.27Å; R360-L363 PolarHBondContact O-N 3.2Å
364N80.3Confident71.3Confident125 Ų12594.2 Ų94.267%0.66847%0.466SS*.Hα-helixtrans-84.4-16.9-177.3-69-3.1000114.3R360 R361 L362 D366R360-N364 WeakPolarHBondContact O-CB 3.5Å; R360-N364 PolarHBondContact O-N 2.9Å; R360-N364 PolarHBondContact O-OD1 2.78Å; R361-N364 PolarHBondContact O-N 3.14Å; L362-N364 VanDerWaalsContact C-N 3.33Å; N364-D366 VanDerWaalsContact C-N 3.35Å; N364-D366 PolarHBondContact O-N 3.23Å
365S68.1Low69.9Low62 Ų6296.4 Ų96.443%0.43448%0.476SS..THydrogen-bonded Turntrans-68-25.5-169.951.10000114.8R361 L362R361-S365 PolarHBondContact O-N 3.3Å; L362-S365 PolarHBondContact O-OG 3.28Å; L362-S365 VanDerWaalsContact O-OG 3.09Å
366D56.4Low68.7Low42 Ų42102.5 Ų102.523%0.22550%0.503CS..THydrogen-bonded Turntrans-129.257.6-172.1-27-63.2000113.4N364 A370 K379N364-D366 VanDerWaalsContact C-N 3.35Å; N364-D366 PolarHBondContact O-N 3.23Å; D366-A370 HydrophobicContact CB-CB 4.21Å; D366-K379 WeakPolarHBondContact OD2-CE 3.29Å; D366-K379 IonicContact OD2-NZ 3.23Å; D366-K379 PolarHBondContact OD2-NZ 2.94Å
367Q52.4Low67.6Low193 Ų193106 Ų10690%0.90252%0.519SS*.SBendtrans-73.3-10.5152.8-75.2-16510.300112.4
368S45.8Very low66.3Low103 Ų103102.3 Ų102.372%0.7251%0.505SS*.SBendtrans-103.4-34.8-174.646.80000117
369E47.4Very low65.2Low168 Ų168102.3 Ų102.379%0.78550%0.499SS*.  trans-149.438.7-169-66.6-171.2159.700116.5N371E369-N371 PolarHBondContact O-N 2.81Å
370A49.9Very low64.3Low23 Ų23103.2 Ų103.219%0.1951%0.509CS..  trans-79.477.4177.800000112.9D366 K376D366-A370 HydrophobicContact CB-CB 4.21Å; A370-K376 WeakPolarHBondContact O-CE 3.25Å
371N55.8Low63.2Low156 Ų156101.2 Ų101.283%0.83451%0.506SS*.  trans-85.9-11.4169.1-84.8-14.3000113.7E369E369-N371 PolarHBondContact O-N 2.81Å
372D62.7Low62.2Low117 Ų11792.6 Ų92.663%0.62647%0.474SS*.  trans-87.8116.7177.9-80.4-28.2000111.9D374 E375 K376D372-D374 PolarHBondContact O-N 2.98Å; D372-E375 HydrophobicContact CB-CB 4.37Å; D372-E375 PolarHBondContact O-N 3.23Å; D372-K376 PolarHBondContact O-N 3.08Å
373E62.6Low61.3Low167 Ų16794 Ų9478%0.7849%0.487SS*.Hα-helixtrans-57.3-33.3176.6-67.9-158.6150.700112.7E375 K376 H377E373-E375 VanDerWaalsContact C-N 3.28Å; E373-E375 PolarHBondContact O-N 3.29Å; E373-K376 PolarHBondContact O-N 2.62Å; E373-H377 PolarHBondContact O-N 2.9Å
374D61.2Low60.2Low109 Ų10997.6 Ų97.658%0.58350%0.503SS*.Hα-helixtrans-58.8-38.8175.2-88.7-0.4000112.2D372 H377 R378D372-D374 PolarHBondContact O-N 2.98Å; D374-H377 PolarHBondContact O-N 2.74Å; D374-R378 WeakPolarHBondContact O-CG 3.27Å; D374-R378 PolarHBondContact O-N 2.96Å; D374-R378 IonicContact OD2-NH2 2.79Å
375E61.6Low59Low62 Ų6293.5 Ų93.529%0.2948%0.482SS..Hα-helixtrans-73.9-38.1-178.8-168.8163.8-134.700111.4D372 E373 H377 R378 K379D372-E375 HydrophobicContact CB-CB 4.37Å; D372-E375 PolarHBondContact O-N 3.23Å; E373-E375 VanDerWaalsContact C-N 3.28Å; E373-E375 PolarHBondContact O-N 3.29Å; E375-H377 PolarHBondContact O-N 3.01Å; E375-R378 PolarHBondContact O-N 3.15Å; E375-K379 WeakPolarHBondContact O-CG 3.24Å; E375-K379 PolarHBondContact O-N 2.89Å
376K62.7Low58.5Low129 Ų12993.2 Ų93.256%0.56148%0.48SS*.Hα-helixtrans-60.6-44.4171.7-73.5-179.6-176.5167.50111.6A370 D372 E373 R378 K379 S380A370-K376 WeakPolarHBondContact O-CE 3.25Å; D372-K376 PolarHBondContact O-N 3.08Å; E373-K376 PolarHBondContact O-N 2.62Å; K376-R378 VanDerWaalsContact C-N 3.35Å; K376-R378 PolarHBondContact O-N 3.03Å; K376-K379 PolarHBondContact O-N 3.49Å; K376-S380 PolarHBondContact O-N 3.17Å
377H63Low58.5Low116 Ų11692.2 Ų92.254%0.53747%0.474SS..Hα-helixtrans-65.5-36.7177-168.7-90.1000112.1E373 D374 E375 S380 Q381E373-H377 PolarHBondContact O-N 2.9Å; D374-H377 PolarHBondContact O-N 2.74Å; E375-H377 PolarHBondContact O-N 3.01Å; H377-S380 PolarHBondContact O-N 3.49Å; H377-S380 PolarHBondContact O-OG 3.42Å; H377-Q381 PolarHBondContact CE1-NE2 3.23Å; H377-Q381 PolarHBondContact ND1-NE2 3.1Å; H377-Q381 WeakPolarHBondContact O-CG 3.25Å; H377-Q381 PolarHBondContact O-N 3.34Å; H377-Q381 VanDerWaalsContact O-N 3.08Å
378R62.5Low58.8Low84 Ų8485.8 Ų85.832%0.31745%0.446SS..Hα-helixtrans-67-43.7174.6-71.9169-158.1-169.98.4112.2D374 E375 K376 S380 Q381 L382D374-R378 WeakPolarHBondContact O-CG 3.27Å; D374-R378 PolarHBondContact O-N 2.96Å; D374-R378 IonicContact OD2-NH2 2.79Å; E375-R378 PolarHBondContact O-N 3.15Å; K376-R378 VanDerWaalsContact C-N 3.35Å; K376-R378 PolarHBondContact O-N 3.03Å; R378-S380 VanDerWaalsContact C-N 3.33Å; R378-S380 PolarHBondContact O-N 2.96Å; R378-Q381 PolarHBondContact O-N 3.5Å; R378-L382 PolarHBondContact O-N 2.62Å
379K63.2Low59Low35 Ų3586.2 Ų86.215%0.15244%0.444CS..Hα-helixtrans-63.2-39175.7-76-174.6-180-174.20112.1L362 D366 E375 K376 L382 S383L362-K379 WeakPolarHBondContact O-CE 3.3Å; D366-K379 WeakPolarHBondContact OD2-CE 3.29Å; D366-K379 IonicContact OD2-NZ 3.23Å; D366-K379 PolarHBondContact OD2-NZ 2.94Å; E375-K379 WeakPolarHBondContact O-CG 3.24Å; E375-K379 PolarHBondContact O-N 2.89Å; K376-K379 PolarHBondContact O-N 3.49Å; K379-L382 PolarHBondContact O-N 3.37Å; K379-S383 WeakPolarHBondContact O-CB 3.25Å; K379-S383 PolarHBondContact O-N 3.42Å; K379-S383 PolarHBondContact O-OG 2.98Å
380S63.8Low59.1Low45 Ų4587.6 Ų87.632%0.31545%0.448SS..Hα-helixtrans-65-40176.273.90000111.7K376 H377 R378 S383 Q384K376-S380 PolarHBondContact O-N 3.17Å; H377-S380 PolarHBondContact O-N 3.49Å; H377-S380 PolarHBondContact O-OG 3.42Å; R378-S380 VanDerWaalsContact C-N 3.33Å; R378-S380 PolarHBondContact O-N 2.96Å; S380-S383 WeakPolarHBondContact CA-OG 3.09Å; S380-S383 PolarHBondContact O-N 3.45Å; S380-S383 PolarHBondContact O-OG 2.95Å; S380-Q384 WeakPolarHBondContact O-CB 3.48Å; S380-Q384 VanDerWaalsContact O-CG 3.24Å; S380-Q384 WeakPolarHBondContact O-CG 3.2Å; S380-Q384 PolarHBondContact O-N 3.15Å; S380-Q384 VanDerWaalsContact O-N 3.12Å
381Q64.1Low59.7Low103 Ų10388 Ų8848%0.48145%0.45SS..Hα-helixtrans-61.8-44172.1-72.8-175.82.200112.2H377 R378 V385H377-Q381 PolarHBondContact CE1-NE2 3.23Å; H377-Q381 PolarHBondContact ND1-NE2 3.1Å; H377-Q381 WeakPolarHBondContact O-CG 3.25Å; H377-Q381 PolarHBondContact O-N 3.34Å; H377-Q381 VanDerWaalsContact O-N 3.08Å; R378-Q381 PolarHBondContact O-N 3.5Å; Q381-V385 WeakPolarHBondContact O-CG2 3.43Å; Q381-V385 PolarHBondContact O-N 2.96Å
382L62.4Low60Low8 Ų883.5 Ų83.54%0.04243%0.427CS..Hα-helixtrans-72-29.7179.1-94128.7000113.9A89 V92 R359 L362 R378 K379A89-L382 HydrophobicContact CB-CD1 4.27Å; V92-L382 HydrophobicContact CB-CD2 4.46Å; V92-L382 HydrophobicContact CG1-CD2 4.05Å; V92-L382 HydrophobicContact CG2-CD2 4.49Å; R359-L382 HydrophobicContact CB-CD2 4.46Å; R359-L382 HydrophobicContact CG-CD2 3.82Å; R359-L382 PolarHBondContact NE-O 3Å; R359-L382 PolarHBondContact NH2-O 2.97Å; L362-L382 HydrophobicContact CD2-CD1 3.88Å; R378-L382 PolarHBondContact O-N 2.62Å; K379-L382 PolarHBondContact O-N 3.37Å
383S61.6Low60.6Low70 Ų7079 Ų7949%0.4940%0.403SS..Hα-helixtrans-74-34.117769.80000111.6K379 S380 V385K379-S383 WeakPolarHBondContact O-CB 3.25Å; K379-S383 PolarHBondContact O-N 3.42Å; K379-S383 PolarHBondContact O-OG 2.98Å; S380-S383 WeakPolarHBondContact CA-OG 3.09Å; S380-S383 PolarHBondContact O-N 3.45Å; S380-S383 PolarHBondContact O-OG 2.95Å; S383-V385 VanDerWaalsContact C-N 3.33Å; S383-V385 PolarHBondContact O-N 3.12Å
384Q55.9Low61.6Low133 Ų13371.4 Ų71.462%0.62137%0.367SS*.Hα-helixtrans-71.2-22.7175.8-72.8176.6400113.9S380 S386S380-Q384 WeakPolarHBondContact O-CB 3.48Å; S380-Q384 VanDerWaalsContact O-CG 3.24Å; S380-Q384 WeakPolarHBondContact O-CG 3.2Å; S380-Q384 PolarHBondContact O-N 3.15Å; S380-Q384 VanDerWaalsContact O-N 3.12Å; Q384-S386 PolarHBondContact O-N 2.86Å
385V56.2Low63Low39 Ų3966.3 Ų66.324%0.23634%0.34CS..  trans-93.897.9-179.9-179.20000110.3W93 R359 Q381 S383 V414W93-V385 HydrophobicContact CH2-CG1 3.91Å; W93-V385 HydrophobicContact CZ2-CB 4.44Å; W93-V385 HydrophobicContact CZ2-CG1 3.76Å; R359-V385 PolarHBondContact NH2-O 3.28Å; Q381-V385 WeakPolarHBondContact O-CG2 3.43Å; Q381-V385 PolarHBondContact O-N 2.96Å; S383-V385 VanDerWaalsContact C-N 3.33Å; S383-V385 PolarHBondContact O-N 3.12Å; V385-V414 HydrophobicContact CG2-CG2 4.1Å
386S56.7Low64.5Low55 Ų5563.9 Ų63.939%0.38533%0.329SS..  trans-84.8142.3168.563.30000111.1Q384 D388Q384-S386 PolarHBondContact O-N 2.86Å; S386-D388 PolarHBondContact O-N 3.5Å
387I57.5Low66.2Low22 Ų2257.8 Ų57.811%0.11330%0.302CS..  trans-83101.9172.3-57.7177.7000108.1W93 F352 I355 T389 P412W93-I387 HydrophobicContact CH2-CD1 3.92Å; W93-I387 HydrophobicContact CH2-CG1 3.77Å; W93-I387 HydrophobicContact CZ3-CD1 3.81Å; W93-I387 HydrophobicContact CZ3-CG1 4.02Å; F352-I387 HydrophobicContact CD1-CD1 4.33Å; F352-I387 HydrophobicContact CD1-CG2 3.72Å; F352-I387 HydrophobicContact CE1-CG2 4.05Å; I355-I387 HydrophobicContact CG2-CD1 4.01Å; I387-T389 VanDerWaalsContact C-N 3.33Å; I387-T389 PolarHBondContact O-N 3.1Å; I387-P412 HydrophobicContact CB-CG 4.03Å; I387-P412 HydrophobicContact CG1-CG 4.36Å; I387-P412 HydrophobicContact CG2-CG 3.83Å
388D57.2Low67.8Low57 Ų5752.2 Ų52.231%0.30528%0.276SS..  trans-59.194.6168.3-179.913.9000110S386 K390 S391 P412S386-D388 PolarHBondContact O-N 3.5Å; D388-K390 PolarHBondContact O-N 2.87Å; D388-K390 WeakPolarHBondContact OD1-CA 3.47Å; D388-K390 WeakPolarHBondContact OD1-CB 3.46Å; D388-K390 PolarHBondContact OD1-N 2.96Å; D388-S391 PolarHBondContact O-OG 2.86Å; D388-S391 PolarHBondContact OD1-N 3.25Å; D388-S391 WeakPolarHBondContact OD2-CB 3.19Å; D388-S391 PolarHBondContact OD2-N 3.47Å; D388-P412 HydrophobicContact CB-CB 3.27Å; D388-P412 VanDerWaalsContact N-CG 3.32Å
389T50.7Low69.5Low112 Ų11248.2 Ų48.269%0.68726%0.261SS*.SBendtrans-73.7-8.5174.356.50000113I387I387-T389 VanDerWaalsContact C-N 3.33Å; I387-T389 PolarHBondContact O-N 3.1Å
390K50.5Low71.1Confident197 Ų19746.7 Ų46.786%0.85726%0.255SS*.SBendtrans-85.1-29.9175.9-58.1-176.7177.3-179.90111.6D388D388-K390 PolarHBondContact O-N 2.87Å; D388-K390 WeakPolarHBondContact OD1-CA 3.47Å; D388-K390 WeakPolarHBondContact OD1-CB 3.46Å; D388-K390 PolarHBondContact OD1-N 2.96Å
391S61.3Low72.6Confident33 Ų3349.4 Ų49.423%0.23126%0.261CS..SBendtrans-68.8146.2170.873.80000111D388 Q393D388-S391 PolarHBondContact O-OG 2.86Å; D388-S391 PolarHBondContact OD1-N 3.25Å; D388-S391 WeakPolarHBondContact OD2-CB 3.19Å; D388-S391 PolarHBondContact OD2-N 3.47Å; S391-Q393 PolarHBondContact O-N 3.18Å
392V63.2Low74.2Confident60 Ų6047.6 Ų47.636%0.36426%0.26SS..  trans-62.5108.5176.9-175.20000108.6F298 E394 N410F298-V392 HydrophobicContact CE2-CG1 4.19Å; V392-E394 HydrophobicContact CG1-CG 4.11Å; V392-E394 PolarHBondContact O-N 3.09Å; V392-N410 PolarHBondContact O-ND2 3.32Å; V392-N410 VanDerWaalsContact O-ND2 3.13Å
393Q73.6Confident75.7Confident24 Ų2447.4 Ų47.411%0.11226%0.259CS..  trans-73.3119.3-179.5-79.7-173.6-200109.9P348 F352 S391P348-Q393 HydrophobicContact CB-CB 4.48Å; P348-Q393 VanDerWaalsContact CB-O 3.31Å; P348-Q393 WeakPolarHBondContact CB-O 3.11Å; P348-Q393 VanDerWaalsContact CG-O 3.29Å; P348-Q393 WeakPolarHBondContact CG-O 3.44Å; F352-Q393 HydrophobicContact CD1-CG 4.25Å; F352-Q393 HydrophobicContact CD2-CB 3.73Å; F352-Q393 HydrophobicContact CD2-CG 4.01Å; F352-Q393 VanDerWaalsContact CD2-OE1 3.24Å; F352-Q393 HydrophobicContact CE1-CG 4.13Å; F352-Q393 HydrophobicContact CE2-CB 3.49Å; F352-Q393 VanDerWaalsContact CE2-CB 3.49Å; F352-Q393 HydrophobicContact CE2-CG 3.93Å; F352-Q393 HydrophobicContact CG-CB 4.39Å; F352-Q393 VanDerWaalsContact CG-CD 3.47Å; F352-Q393 HydrophobicContact CG-CG 4.18Å; F352-Q393 HydrophobicContact CZ-CB 3.93Å; F352-Q393 HydrophobicContact CZ-CG 3.97Å; S391-Q393 PolarHBondContact O-N 3.18Å
394E83.7Confident77.4Confident7 Ų746 Ų463%0.03325%0.248CC..  trans-132.1130.5-179.6-64.3-179.6161.100109.4F298 F344 V392 N410F298-E394 WeakPolarHBondContact CD2-OE1 3.33Å; F298-E394 VanDerWaalsContact CE2-OE1 3.24Å; F298-E394 WeakPolarHBondContact CE2-OE1 3.19Å; F344-E394 HydrophobicContact CD1-CB 4.38Å; F344-E394 HydrophobicContact CE1-CB 4.39Å; F344-E394 HydrophobicContact CE1-CG 4.4Å; V392-E394 HydrophobicContact CG1-CG 4.11Å; V392-E394 PolarHBondContact O-N 3.09Å; E394-N410 HydrophobicContact CB-CB 4.3Å; E394-N410 PolarHBondContact O-N 2.84Å
395L91.3Very high79.4Confident1 Ų139.6 Ų39.61%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-104.7128.3161.6-179.9144.3000107.9F18 P95 F344 A345 I351 V397 V407 F408 L409F18-L395 HydrophobicContact CZ-CD2 4.05Å; P95-L395 HydrophobicContact CB-CD1 4.35Å; P95-L395 HydrophobicContact CG-CD1 3.63Å; F344-L395 WeakPolarHBondContact CA-O 3.37Å; A345-L395 HydrophobicContact CB-CB 3.91Å; A345-L395 HydrophobicContact CB-CD2 3.78Å; A345-L395 HydrophobicContact CB-CG 4.44Å; A345-L395 PolarHBondContact N-O 3.37Å; I351-L395 HydrophobicContact CD1-CB 4.13Å; I351-L395 HydrophobicContact CD1-CD1 3.75Å; I351-L395 HydrophobicContact CD1-CD2 4.2Å; I351-L395 HydrophobicContact CD1-CG 4.25Å; I351-L395 HydrophobicContact CG2-CD1 3.73Å; L395-V397 HydrophobicContact CD2-CG2 3.58Å; L395-V407 HydrophobicContact CD1-CG1 3.6Å; L395-V407 HydrophobicContact CD2-CG1 4.14Å; L395-V407 HydrophobicContact CG-CG1 3.93Å; L395-F408 WeakPolarHBondContact CA-O 3.2Å; L395-L409 HydrophobicContact CB-CD2 3.77Å; L395-L409 HydrophobicContact CD1-CD2 3.61Å; L395-L409 HydrophobicContact CD1-CG 4.49Å; L395-L409 HydrophobicContact CG-CD2 3.98Å
396I94.1Very high81.2Confident12 Ų1238 Ų386%0.06221%0.208CC..EExtended strand (participates in β ladder)trans-114.4134.4177.1-67.5169.5000107.3I300 W332 V343 F344 F408I300-I396 HydrophobicContact CD1-CB 4.17Å; I300-I396 HydrophobicContact CD1-CD1 3.75Å; I300-I396 HydrophobicContact CD1-CG1 3.78Å; I300-I396 HydrophobicContact CD1-CG2 3.36Å; W332-I396 HydrophobicContact CH2-CD1 3.97Å; W332-I396 HydrophobicContact CZ2-CD1 3.71Å; V343-I396 WeakPolarHBondContact O-CA 3.48Å; F344-I396 HydrophobicContact CD1-CD1 4.39Å; F344-I396 HydrophobicContact CD1-CG1 3.73Å; F344-I396 HydrophobicContact CE1-CD1 3.87Å; F344-I396 HydrophobicContact CE1-CG1 3.72Å; I396-F408 HydrophobicContact CB-CB 4.34Å; I396-F408 PolarHBondContact N-O 3.05Å; I396-F408 PolarHBondContact O-N 2.85Å
397V96.8Very high83Confident0 Ų035.3 Ų35.30%019%0.19CC..EExtended strand (participates in β ladder)trans-114.2129.4165.1-170.50000107M16 F18 L25 F96 A342 V343 L395 I405 S406 V407M16-V397 HydrophobicContact CE-CB 4.47Å; M16-V397 HydrophobicContact CE-CG1 4.19Å; M16-V397 WeakPolarHBondContact CE-O 3.46Å; M16-V397 HydrophobicContact SD-CB 4.5Å; M16-V397 HydrophobicContact SD-CG1 3.81Å; F18-V397 HydrophobicContact CE2-CG2 4.03Å; F18-V397 HydrophobicContact CZ-CG2 3.81Å; L25-V397 HydrophobicContact CD2-CB 4.43Å; L25-V397 HydrophobicContact CD2-CG1 3.95Å; L25-V397 HydrophobicContact CD2-CG2 4.24Å; F96-V397 HydrophobicContact CE2-CG2 4.37Å; A342-V397 CarbonylContact C-O 3.5Å; A342-V397 WeakPolarHBondContact CA-O 3.07Å; V343-V397 HydrophobicContact CG2-CB 4.06Å; V343-V397 PolarHBondContact N-O 3Å; V343-V397 PolarHBondContact O-N 2.79Å; L395-V397 HydrophobicContact CD2-CG2 3.58Å; V397-I405 HydrophobicContact CG1-CG2 3.59Å; V397-S406 WeakPolarHBondContact CA-O 3.41Å; V397-V407 HydrophobicContact CG2-CG2 4.39Å
398S97.3Very high84.6Confident0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans-124.2149170.662.50000110.6H335 S341 I405 S406 F408H335-S398 PolarHBondContact NE2-O 2.98Å; H335-S398 PolarHBondContact NE2-OG 2.95Å; S341-S398 CarbonylContact O-C 3.57Å; S341-S398 VanDerWaalsContact O-CA 3.27Å; S341-S398 WeakPolarHBondContact O-CA 3.5Å; S398-I405 WeakPolarHBondContact O-CA 3.44Å; S398-S406 PolarHBondContact N-O 2.93Å; S398-S406 PolarHBondContact O-N 3.42Å; S398-F408 VanDerWaalsContact OG-CE2 3.32Å; S398-F408 WeakPolarHBondContact OG-CE2 3.13Å
399A97.7Very high86Confident0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-134.9155177.700000110.6V13 M16 V339 T340 S341 V404 I405V13-A399 HydrophobicContact CB-CB 3.67Å; V13-A399 HydrophobicContact CG1-CB 3.72Å; V13-A399 HydrophobicContact CG2-CB 4.17Å; M16-A399 HydrophobicContact CE-CB 3.71Å; M16-A399 HydrophobicContact CG-CB 4.42Å; M16-A399 HydrophobicContact SD-CB 3.7Å; V339-A399 CarbonylContact C-O 3.51Å; V339-A399 WeakPolarHBondContact CG1-O 3.2Å; T340-A399 PolarHBondContact N-O 2.58Å; T340-A399 PolarHBondContact OG1-O 2.72Å; S341-A399 PolarHBondContact N-O 2.83Å; S341-A399 PolarHBondContact O-N 2.76Å; A399-V404 WeakPolarHBondContact CA-O 3.21Å; A399-I405 HydrophobicContact CB-CG1 3.83Å
400D97Very high87Confident3 Ų331.8 Ų31.82%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-121.5-179.9-172.480.3-1.6000114V13 H335 A337 V338 T340 S402 G403 V404V13-D400 PolarHBondContact N-O 3.39Å; V13-D400 VanDerWaalsContact N-O 3.08Å; H335-D400 HydrophobicContact CB-CB 3.85Å; H335-D400 IonicContact ND1-OD2 3.85Å; A337-D400 HydrophobicContact CB-CB 4.37Å; V338-D400 CarbonylContact O-C 2.94Å; V338-D400 WeakPolarHBondContact O-CA 3.19Å; V338-D400 WeakPolarHBondContact O-CB 2.91Å; T340-D400 PolarHBondContact OG1-O 3.08Å; D400-S402 VanDerWaalsContact CG-OG 3.23Å; D400-S402 PolarHBondContact O-N 3.48Å; D400-S402 WeakPolarHBondContact OD1-CA 3.39Å; D400-S402 PolarHBondContact OD1-N 2.86Å; D400-S402 PolarHBondContact OD1-OG 3.11Å; D400-S402 PolarHBondContact OD2-OG 2.92Å; D400-G403 PolarHBondContact OD1-N 3.48Å; D400-V404 PolarHBondContact N-O 2.93Å; D400-V404 VanDerWaalsContact N-O 3.08Å; D400-V404 PolarHBondContact OD1-N 2.76Å
401F96.6Very high87.1Confident102 Ų10229 Ų2945%0.44715%0.154SC..THydrogen-bonded Turntrans-70.3-14.2178.2-164.9-87.7000113.8G11 A12 W14 A337 V338 T340G11-F401 CarbonylContact C-O 3.58Å; A12-F401 WeakPolarHBondContact CA-O 3.07Å; A12-F401 HydrophobicContact CB-CB 4.42Å; A12-F401 HydrophobicContact CB-CD2 3.82Å; A12-F401 HydrophobicContact CB-CE2 4.22Å; A12-F401 HydrophobicContact CB-CG 4.02Å; A12-F401 PolarHBondContact N-O 3.28Å; A12-F401 VanDerWaalsContact N-O 3.11Å; W14-F401 AromaticContact CH2-CD2 3.88Å; W14-F401 HydrophobicContact CH2-CD2 3.88Å; W14-F401 AromaticContact CH2-CE2 3.5Å; W14-F401 HydrophobicContact CH2-CE2 3.5Å; W14-F401 HydrophobicContact CH2-CZ 4.38Å; W14-F401 AromaticContact CZ3-CD2 4Å; W14-F401 HydrophobicContact CZ3-CD2 4Å; W14-F401 HydrophobicContact CZ3-CE2 4.04Å; A337-F401 HydrophobicContact CB-CB 4.34Å; V338-F401 HydrophobicContact CB-CB 4.1Å; V338-F401 PolarHBondContact O-N 2.79Å; T340-F401 HydrophobicContact CG2-CB 4.13Å; T340-F401 HydrophobicContact CG2-CD2 4.17Å
402S96Very high86.3Confident65 Ų6527.8 Ų27.846%0.45515%0.145SC..THydrogen-bonded Turntrans-95.6-13.6-17876.90000113.6G11 D400 V404G11-S402 CarbonylContact O-C 3.53Å; D400-S402 VanDerWaalsContact CG-OG 3.23Å; D400-S402 PolarHBondContact O-N 3.48Å; D400-S402 WeakPolarHBondContact OD1-CA 3.39Å; D400-S402 PolarHBondContact OD1-N 2.86Å; D400-S402 PolarHBondContact OD1-OG 3.11Å; D400-S402 PolarHBondContact OD2-OG 2.92Å; S402-V404 WeakPolarHBondContact OG-CG2 3.49Å
403G95.6Very high85.4Confident3 Ų333.2 Ų33.23%0.03116%0.164CC..SBendtrans106.24.6-178.200000113.6G11 D400G11-G403 WeakPolarHBondContact O-CA 3.24Å; G11-G403 PolarHBondContact O-N 3.02Å; G11-G403 VanDerWaalsContact O-N 3.12Å; D400-G403 PolarHBondContact OD1-N 3.48Å
404V96.2Very high83.6Confident40 Ų4036 Ų3624%0.24218%0.182CC..  trans-79.5135.2179.6176.60000109.3A399 D400 S402A399-V404 WeakPolarHBondContact CA-O 3.21Å; D400-V404 PolarHBondContact N-O 2.93Å; D400-V404 VanDerWaalsContact N-O 3.08Å; D400-V404 PolarHBondContact OD1-N 2.76Å; S402-V404 WeakPolarHBondContact OG-CG2 3.49Å
405I97.2Very high81.5Confident0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-126.1117.9176.3-61.5165.1000107.6L5 V13 M16 T27 W37 V397 S398 A399L5-I405 HydrophobicContact CB-CB 4Å; L5-I405 HydrophobicContact CB-CG2 4.05Å; L5-I405 HydrophobicContact CD1-CG2 4.26Å; L5-I405 PolarHBondContact N-O 3.02Å; V13-I405 HydrophobicContact CG2-CD1 4.33Å; V13-I405 HydrophobicContact CG2-CG1 4.19Å; M16-I405 HydrophobicContact SD-CG2 4.42Å; T27-I405 HydrophobicContact CG2-CD1 4Å; W37-I405 HydrophobicContact CZ2-CD1 3.77Å; V397-I405 HydrophobicContact CG1-CG2 3.59Å; S398-I405 WeakPolarHBondContact O-CA 3.44Å; A399-I405 HydrophobicContact CB-CG1 3.83Å
406S95.6Very high79Confident4 Ų445 Ų453%0.02825%0.246CC..EExtended strand (participates in β ladder)trans-117.6133.2-174.2-65.60000110.6H335 V397 S398 F408H335-S406 PolarHBondContact CE1-OG 2.97Å; V397-S406 WeakPolarHBondContact CA-O 3.41Å; S398-S406 PolarHBondContact N-O 2.93Å; S398-S406 PolarHBondContact O-N 3.42Å; S406-F408 WeakPolarHBondContact O-CE2 3.17Å
407V94.6Very high76.3Confident0 Ų047.5 Ų47.50%028%0.275CS..EExtended strand (participates in β ladder)trans-103.9129.7177.8-173.40000109.6M1 V2 Q3 L5 P95 F96 L395 V397M1-V407 CarbonylContact C-O 3.48Å; M1-V407 WeakPolarHBondContact CA-O 3.14Å; V2-V407 HydrophobicContact CG2-CB 4.3Å; V2-V407 HydrophobicContact CG2-CG1 3.98Å; V2-V407 PolarHBondContact N-O 2.66Å; Q3-V407 HydrophobicContact CB-CB 4.01Å; Q3-V407 HydrophobicContact CB-CG2 4.13Å; Q3-V407 PolarHBondContact O-N 3.35Å; L5-V407 HydrophobicContact CD1-CG2 3.96Å; L5-V407 HydrophobicContact CG-CG2 4.27Å; P95-V407 HydrophobicContact CG-CG1 3.93Å; F96-V407 HydrophobicContact CD2-CG2 4.04Å; F96-V407 HydrophobicContact CE2-CG1 4.42Å; F96-V407 HydrophobicContact CE2-CG2 4.17Å; L395-V407 HydrophobicContact CD1-CG1 3.6Å; L395-V407 HydrophobicContact CD2-CG1 4.14Å; L395-V407 HydrophobicContact CG-CG1 3.93Å; V397-V407 HydrophobicContact CG2-CG2 4.39Å
408F91.4Very high73.2Confident27 Ų2752.6 Ų52.612%0.11831%0.31CS..EExtended strand (participates in β ladder)trans-123.5133.8179.8-55.3-95.3000109.4M1 T334 L395 I396 S398 S406M1-F408 HydrophobicContact CB-CD1 4.17Å; M1-F408 HydrophobicContact CB-CE1 3.85Å; M1-F408 HydrophobicContact CB-CZ 4.47Å; M1-F408 HydrophobicContact CG-CE1 4.43Å; T334-F408 HydrophobicContact CG2-CE1 3.94Å; T334-F408 HydrophobicContact CG2-CE2 3.89Å; T334-F408 HydrophobicContact CG2-CZ 3.51Å; L395-F408 WeakPolarHBondContact CA-O 3.2Å; I396-F408 HydrophobicContact CB-CB 4.34Å; I396-F408 PolarHBondContact N-O 3.05Å; I396-F408 PolarHBondContact O-N 2.85Å; S398-F408 VanDerWaalsContact OG-CE2 3.32Å; S398-F408 WeakPolarHBondContact OG-CE2 3.13Å; S406-F408 WeakPolarHBondContact O-CE2 3.17Å
409L86.2Confident70.1Confident17 Ų1756.9 Ų56.99%0.08934%0.34CS..EExtended strand (participates in β ladder)trans-103.1138.2164.6-67.5172.3000107.6V2 W93 F352 I355 L395 K411V2-L409 HydrophobicContact CB-CD1 4.36Å; V2-L409 HydrophobicContact CG1-CB 4.15Å; V2-L409 HydrophobicContact CG1-CD1 3.96Å; V2-L409 HydrophobicContact CG1-CG 4.12Å; V2-L409 HydrophobicContact CG2-CD1 3.93Å; V2-L409 HydrophobicContact CG2-CG 3.79Å; W93-L409 HydrophobicContact CE3-CD1 4.06Å; F352-L409 HydrophobicContact CE1-CD2 4.33Å; F352-L409 HydrophobicContact CE2-CD2 4Å; F352-L409 HydrophobicContact CZ-CB 4.43Å; F352-L409 HydrophobicContact CZ-CD2 3.75Å; I355-L409 HydrophobicContact CD1-CD1 3.37Å; I355-L409 HydrophobicContact CD1-CD2 4.42Å; L395-L409 HydrophobicContact CB-CD2 3.77Å; L395-L409 HydrophobicContact CD1-CD2 3.61Å; L395-L409 HydrophobicContact CD1-CG 4.49Å; L395-L409 HydrophobicContact CG-CD2 3.98Å; L409-K411 PolarHBondContact O-N 3.2Å
410N72Confident66.9Low73 Ų7362.9 Ų62.939%0.3938%0.377SS..  trans-62.596.3162-172.813.9000106.7V392 E394 P412V392-N410 PolarHBondContact O-ND2 3.32Å; V392-N410 VanDerWaalsContact O-ND2 3.13Å; E394-N410 HydrophobicContact CB-CB 4.3Å; E394-N410 PolarHBondContact O-N 2.84Å; N410-P412 WeakPolarHBondContact O-CD 3.37Å; N410-P412 VanDerWaalsContact O-N 3.15Å
411K51.5Low63.9Low139 Ų13971.4 Ų71.460%0.60441%0.414SS*.PPolyproline II helixtrans-64.4119.4-177.6-81.2-168.3179.9-176.20106.8L409 K413L409-K411 PolarHBondContact O-N 3.2Å; K411-K413 PolarHBondContact O-N 2.94Å
412P44.1Very low60.6Low7 Ų774 Ų745%0.04543%0.432CS..PPolyproline II helixtrans-58.4141.9169.719.5-26.1000109.6I387 D388 N410 V414I387-P412 HydrophobicContact CB-CG 4.03Å; I387-P412 HydrophobicContact CG1-CG 4.36Å; I387-P412 HydrophobicContact CG2-CG 3.83Å; D388-P412 HydrophobicContact CB-CB 3.27Å; D388-P412 VanDerWaalsContact N-CG 3.32Å; N410-P412 WeakPolarHBondContact O-CD 3.37Å; N410-P412 VanDerWaalsContact O-N 3.15Å; P412-V414 PolarHBondContact O-N 2.72Å; P412-V414 VanDerWaalsContact O-N 3.15Å
413K44.8Very low57.6Low174 Ų17476.6 Ų76.676%0.75745%0.447SS*.PPolyproline II helixtrans-55.9123.7-178.3-74.9-176.8175.5-1770108.9K411 V415K411-K413 PolarHBondContact O-N 2.94Å; K413-V415 PolarHBondContact O-N 3.42Å
414V36.7Very low55.1Low83 Ų8386.7 Ų86.750%0.50351%0.508SS..  trans-62103.5164.7-1790000105.9V385 P412 A416V385-V414 HydrophobicContact CG2-CG2 4.1Å; P412-V414 PolarHBondContact O-N 2.72Å; P412-V414 VanDerWaalsContact O-N 3.15Å; V414-A416 VanDerWaalsContact C-N 3.33Å; V414-A416 PolarHBondContact O-N 3.43Å; V414-A416 VanDerWaalsContact O-N 3.08Å
415V38.2Very low53Low111 Ų11189 Ų8967%0.67352%0.521SS*.  trans-71.8101.2165.3-177.80000104.1K413 G417K413-V415 PolarHBondContact O-N 3.42Å; V415-G417 PolarHBondContact O-N 3.3Å
416A39.2Very low50.7Low85 Ų8593.7 Ų93.770%0.70255%0.549SS*.  trans-53.3111.1169.800000106.7V414 S418V414-A416 VanDerWaalsContact C-N 3.33Å; V414-A416 PolarHBondContact O-N 3.43Å; V414-A416 VanDerWaalsContact O-N 3.08Å; A416-S418 PolarHBondContact O-N 3.39Å
417G37.4Very low48.2Very low65 Ų6598.7 Ų98.767%0.6758%0.578SS**  trans-52127.9171.500000107.3V415 S419V415-G417 PolarHBondContact O-N 3.3Å; G417-S419 PolarHBondContact O-N 2.99Å
418S32.6Very low45.4Very low106 Ų106104.5 Ų104.574%0.74161%0.612SS**  trans-25.7118.6174.847.60000111.7A416 V420A416-S418 PolarHBondContact O-N 3.39Å; S418-V420 PolarHBondContact O-N 2.95Å
419S30.9Very low42.6Very low90 Ų90109.3 Ų109.363%0.62964%0.643SS**  trans-44.3105.3169.851.30000109.2G417 F421G417-S419 PolarHBondContact O-N 2.99Å; S419-F421 VanDerWaalsContact C-N 3.31Å; S419-F421 PolarHBondContact O-N 3.31Å
420V31.8Very low39.7Very low127 Ų127115.5 Ų115.577%0.7768%0.679SS**  trans-69.299.8164.7178.20000104.4S418 L422S418-V420 PolarHBondContact O-N 2.95Å; V420-L422 PolarHBondContact O-N 3.17Å
421F32.4Very low37.4Very low182 Ų182118.5 Ų118.580%0.79870%0.7SS**  trans-57.7111.1167.9-79.9-89.1000107.1S419S419-F421 VanDerWaalsContact C-N 3.31Å; S419-F421 PolarHBondContact O-N 3.31Å
422L27.2Very low36.3Very low157 Ų157116.9 Ų116.982%0.82271%0.707SS**  trans-67.7137.3168.1-76.5163.4000108.2V420V420-L422 PolarHBondContact O-N 3.17Å
423P34.5Very low35.6Very low119 Ų119126.1 Ų126.177%0.77376%0.763SS**  trans-74.1137.3-178.330.4-29.4000109.9
424T41.8Very low34.8Very low214 Ų214121.7 Ų121.7100%1.31376%0.763SS**  trans-65.7016647.80000111.7

Retrieved 424 of 424 residues in 299.4 ms (Link to these results)

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