A0A087XVJ1_POEFO Loading...

WD repeat-containing protein 74

AlphaFold DB , UniProt , Accession A0A087XVJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 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
1M61.7Low75.7Confident135 Ų13570.5 Ų70.567%0.66532%0.318SS*.  0-36.10-71.1-166.5-158.100110.7E3 R4 S5 F32M1-E3 PolarHBondContact O-N 3.43Å; M1-R4 WeakPolarHBondContact O-CA 3.33Å; M1-R4 WeakPolarHBondContact O-CB 3.31Å; M1-R4 PolarHBondContact O-N 3.35Å; M1-S5 PolarHBondContact O-N 3.44Å; M1-S5 PolarHBondContact O-OG 3.45Å; M1-F32 HydrophobicContact CB-CD1 4.47Å; M1-F32 HydrophobicContact CB-CE1 4.44Å; M1-F32 HydrophobicContact SD-CD1 4.29Å
2E63.7Low77.1Confident95 Ų9564.7 Ų64.744%0.44429%0.291SS..Hα-helixtrans-43-57.3176.5-149.2-177.8160.900116.5R4 S5 R6 E72E2-R4 PolarHBondContact O-N 2.75Å; E2-S5 PolarHBondContact O-N 3.36Å; E2-S5 PolarHBondContact O-OG 3.15Å; E2-R6 WeakPolarHBondContact O-CG 3.41Å; E2-R6 PolarHBondContact O-N 3.04Å; E2-R6 IonicContact OE1-CZ 3.67Å; E2-R6 IonicContact OE1-NE 3.31Å; E2-R6 IonicContact OE1-NH2 2.82Å; E2-R6 PolarHBondContact OE1-NH2 2.71Å; E2-E72 WeakPolarHBondContact CG-O 3.31Å
3E67.3Low78.2Confident164 Ų16459.7 Ų59.777%0.76627%0.269SS*.Hα-helixtrans-63.4-30.4179.2-70-176.8165.800112.7M1 L7M1-E3 PolarHBondContact O-N 3.43Å; E3-L7 WeakPolarHBondContact O-CD1 2.95Å; E3-L7 VanDerWaalsContact O-CG 3.24Å; E3-L7 WeakPolarHBondContact O-CG 3.44Å
4R75.6Confident79.1Confident148 Ų14855.4 Ų55.456%0.55825%0.25SC*.Hα-helixtrans-75.2-37.9-179-62.4177.9-179.1178.9-0.1111.3M1 E2 L7 C8 F30 F32M1-R4 WeakPolarHBondContact O-CA 3.33Å; M1-R4 WeakPolarHBondContact O-CB 3.31Å; M1-R4 PolarHBondContact O-N 3.35Å; E2-R4 PolarHBondContact O-N 2.75Å; R4-L7 PolarHBondContact O-N 3.13Å; R4-C8 PolarHBondContact O-N 3.19Å; R4-C8 PolarHBondContact O-SG 3.42Å; R4-F30 HydrophobicContact CB-CD1 4.29Å; R4-F30 HydrophobicContact CB-CD2 4.17Å; R4-F30 HydrophobicContact CB-CE1 4.49Å; R4-F30 HydrophobicContact CB-CE2 4.37Å; R4-F30 HydrophobicContact CB-CG 4.11Å; R4-F30 HydrophobicContact CG-CD1 4.18Å; R4-F30 HydrophobicContact CG-CE1 4.1Å; R4-F30 HydrophobicContact CG-CZ 4.36Å; R4-F32 HydrophobicContact CB-CE1 4.45Å; R4-F32 HydrophobicContact CB-CZ 4.29Å
5S69.1Low79.7Confident2 Ų253.7 Ų53.71%0.01424%0.242CC..Hα-helixtrans-68.8-38.1178.852.60000111.9M1 E2 L7 C8 T71M1-S5 PolarHBondContact O-N 3.44Å; M1-S5 PolarHBondContact O-OG 3.45Å; E2-S5 PolarHBondContact O-N 3.36Å; E2-S5 PolarHBondContact O-OG 3.15Å; S5-L7 PolarHBondContact O-N 3.41Å; S5-C8 WeakPolarHBondContact O-CB 3.31Å; S5-C8 PolarHBondContact O-N 3.38Å; S5-C8 VanDerWaalsContact O-N 3.11Å; S5-T71 WeakPolarHBondContact CB-O 3.48Å; S5-T71 PolarHBondContact OG-O 3.3Å
6R72.6Confident80.1Confident145 Ų14553.2 Ų53.255%0.54724%0.244SC..Hα-helixtrans-65.8-21175.9-64.6179-171.9-159.44.3114.4E2E2-R6 WeakPolarHBondContact O-CG 3.41Å; E2-R6 PolarHBondContact O-N 3.04Å; E2-R6 IonicContact OE1-CZ 3.67Å; E2-R6 IonicContact OE1-NE 3.31Å; E2-R6 IonicContact OE1-NH2 2.82Å; E2-R6 PolarHBondContact OE1-NH2 2.71Å
7L75.1Confident80.3Confident55 Ų5550.6 Ų50.629%0.28824%0.236SC..THydrogen-bonded Turntrans-89.7-9.7176.7-68.4168.5000113.2E3 R4 S5 S23E3-L7 WeakPolarHBondContact O-CD1 2.95Å; E3-L7 VanDerWaalsContact O-CG 3.24Å; E3-L7 WeakPolarHBondContact O-CG 3.44Å; R4-L7 PolarHBondContact O-N 3.13Å; S5-L7 PolarHBondContact O-N 3.41Å; L7-S23 WeakPolarHBondContact O-CA 3.24Å; L7-S23 WeakPolarHBondContact O-CB 3.26Å; L7-S23 PolarHBondContact O-OG 3.08Å
8C81.5Confident80.8Confident14 Ų1448.4 Ų48.410%0.09523%0.226CC..  trans-81.5129.7-178.1-680000110.4R4 S5 W11 G21R4-C8 PolarHBondContact O-N 3.19Å; R4-C8 PolarHBondContact O-SG 3.42Å; S5-C8 WeakPolarHBondContact O-CB 3.31Å; S5-C8 PolarHBondContact O-N 3.38Å; S5-C8 VanDerWaalsContact O-N 3.11Å; C8-W11 HydrophobicContact CB-CH2 4.03Å; C8-W11 HydrophobicContact CB-CZ2 3.6Å; C8-G21 VanDerWaalsContact SG-CA 3.57Å
9S84.4Confident81.3Confident15 Ų1545.8 Ų45.811%0.10521%0.214CC..  trans-108.5-19.1176.159.10000112.7V22 L24 A316 L320S9-V22 PolarHBondContact N-O 3.43Å; S9-L24 WeakPolarHBondContact OG-CG 3.49Å; S9-L24 PolarHBondContact OG-N 3.48Å; S9-A316 WeakPolarHBondContact O-CB 3.13Å; S9-A316 PolarHBondContact O-N 2.78Å; S9-L320 WeakPolarHBondContact OG-CD2 3.37Å
10V89.8Confident81.7Confident0 Ų044.2 Ų44.20%021%0.206CC..EExtended strand (participates in β ladder)trans-127.9130.3177.6-169.90000109.9L12 G21 V22 L24 L290 L313 L315V10-L12 HydrophobicContact CG1-CD2 4.22Å; V10-L12 HydrophobicContact CG1-CG 4.19Å; V10-G21 CarbonylContact O-C 3.56Å; V10-G21 WeakPolarHBondContact O-CA 3.43Å; V10-V22 HydrophobicContact CB-CB 4.3Å; V10-V22 PolarHBondContact N-O 3.41Å; V10-V22 VanDerWaalsContact N-O 3.14Å; V10-V22 PolarHBondContact O-N 3.42Å; V10-L24 HydrophobicContact CG2-CD1 3.51Å; V10-L24 HydrophobicContact CG2-CD2 4.36Å; V10-L24 HydrophobicContact CG2-CG 3.89Å; V10-L290 HydrophobicContact CB-CD2 4.08Å; V10-L290 HydrophobicContact CG1-CD1 4.11Å; V10-L290 HydrophobicContact CG1-CD2 3.91Å; V10-L290 HydrophobicContact CG2-CD2 4.19Å; V10-L313 HydrophobicContact CG1-CD1 4.48Å; V10-L313 HydrophobicContact CG1-CD2 4.44Å; V10-L313 HydrophobicContact CG1-CG 4.18Å; V10-L315 HydrophobicContact CB-CD2 4.11Å; V10-L315 HydrophobicContact CG1-CD2 3.86Å; V10-L315 HydrophobicContact CG2-CD2 3.46Å; V10-L315 VanDerWaalsContact CG2-CD2 3.46Å
11W92.1Very high82.1Confident3 Ų342 Ų421%0.01120%0.196CC..EExtended strand (participates in β ladder)trans-111.5139.3176-61.394.5000110.2C8 L19 K20 F32 W49 L57 F69 T71 L314C8-W11 HydrophobicContact CB-CH2 4.03Å; C8-W11 HydrophobicContact CB-CZ2 3.6Å; W11-L19 HydrophobicContact CB-CD1 4.48Å; W11-L19 HydrophobicContact CE3-CD1 4.07Å; W11-L19 HydrophobicContact CE3-CD2 4.16Å; W11-L19 HydrophobicContact CE3-CG 4.08Å; W11-L19 HydrophobicContact CZ3-CD2 4.21Å; W11-L19 HydrophobicContact CZ3-CG 4.4Å; W11-K20 CarbonylContact C-O 3.55Å; W11-K20 WeakPolarHBondContact CA-O 3.41Å; W11-F32 HydrophobicContact CE3-CD2 4.46Å; W11-F32 HydrophobicContact CE3-CE2 4.45Å; W11-F32 HydrophobicContact CH2-CD2 4.2Å; W11-F32 AromaticContact CH2-CE2 3.76Å; W11-F32 HydrophobicContact CH2-CE2 3.76Å; W11-F32 AromaticContact CH2-CZ 3.96Å; W11-F32 HydrophobicContact CH2-CZ 3.96Å; W11-F32 AromaticContact CZ3-CD2 3.52Å; W11-F32 HydrophobicContact CZ3-CD2 3.52Å; W11-F32 AromaticContact CZ3-CE2 3.43Å; W11-F32 HydrophobicContact CZ3-CE2 3.43Å; W11-F32 VanDerWaalsContact CZ3-CE2 3.43Å; W11-F32 HydrophobicContact CZ3-CG 4.24Å; W11-F32 HydrophobicContact CZ3-CZ 4.1Å; W11-W49 AromaticContact CD1-CH2 3.57Å; W11-W49 AromaticContact CD1-CZ2 3.84Å; W11-W49 AromaticContact NE1-CH2 3.56Å; W11-L57 HydrophobicContact CB-CD1 4.25Å; W11-L57 HydrophobicContact CD2-CD1 3.44Å; W11-L57 VanDerWaalsContact CD2-CD1 3.44Å; W11-L57 HydrophobicContact CE3-CD1 3.83Å; W11-L57 HydrophobicContact CG-CD1 3.62Å; W11-L57 HydrophobicContact CZ2-CD1 4.26Å; W11-L57 HydrophobicContact CZ3-CD1 4.36Å; W11-F69 AromaticContact CH2-CE1 3.58Å; W11-F69 HydrophobicContact CH2-CE1 3.58Å; W11-F69 HydrophobicContact CH2-CZ 4.23Å; W11-F69 HydrophobicContact CZ2-CE1 4.45Å; W11-F69 HydrophobicContact CZ3-CD1 4.4Å; W11-F69 AromaticContact CZ3-CE1 3.65Å; W11-F69 HydrophobicContact CZ3-CE1 3.65Å; W11-F69 HydrophobicContact CZ3-CZ 4.19Å; W11-T71 HydrophobicContact CZ2-CG2 3.9Å; W11-L314 HydrophobicContact CB-CB 4.26Å; W11-L314 PolarHBondContact N-O 3.47Å; W11-L314 PolarHBondContact O-N 2.8Å
12L92Very high83.4Confident0 Ų035.6 Ų35.60%016%0.164CC..EExtended strand (participates in β ladder)trans-139.9137.5-171.6-62.2164.8000110.5V10 K20 V22 C284 L290 L306 L310 L313V10-L12 HydrophobicContact CG1-CD2 4.22Å; V10-L12 HydrophobicContact CG1-CG 4.19Å; L12-K20 HydrophobicContact CB-CB 4.32Å; L12-K20 PolarHBondContact N-O 2.89Å; L12-K20 PolarHBondContact O-N 3.37Å; L12-V22 HydrophobicContact CD1-CG2 3.85Å; L12-C284 HydrophobicContact CD2-CB 4.34Å; L12-L290 HydrophobicContact CD1-CB 4.17Å; L12-L290 HydrophobicContact CD1-CD1 4.37Å; L12-L290 HydrophobicContact CD1-CD2 4.16Å; L12-L290 HydrophobicContact CD1-CG 4.46Å; L12-L290 HydrophobicContact CD2-CD1 4.19Å; L12-L306 HydrophobicContact CD1-CD1 3.14Å; L12-L310 HydrophobicContact CB-CD2 4.22Å; L12-L310 HydrophobicContact CD1-CD1 4.17Å; L12-L313 HydrophobicContact CD2-CB 3.76Å; L12-L313 HydrophobicContact CD2-CD1 3.62Å; L12-L313 HydrophobicContact CD2-CG 3.53Å
13G91.6Very high84.5Confident0 Ų031.1 Ų31.10%014%0.143CC..EExtended strand (participates in β ladder)trans-98144.8170.500000111.1L310 T311 C312G13-L310 WeakPolarHBondContact O-CA 3.46Å; G13-T311 PolarHBondContact O-N 3.36Å; G13-T311 PolarHBondContact O-OG1 2.85Å; G13-T311 VanDerWaalsContact O-OG1 3.13Å; G13-C312 PolarHBondContact N-O 3.33Å; G13-C312 VanDerWaalsContact N-O 3.1Å
14S90.8Very high85.2Confident0 Ų023.4 Ų23.40%011%0.107CC..EExtended strand (participates in β ladder)trans-109.7162.3170.580.10000112.4T16 G17 I18 V44 R309S14-T16 PolarHBondContact O-N 3.46Å; S14-T16 PolarHBondContact OG-N 3.48Å; S14-T16 PolarHBondContact OG-OG1 3.46Å; S14-G17 PolarHBondContact O-N 3.4Å; S14-G17 VanDerWaalsContact O-N 3.16Å; S14-I18 PolarHBondContact N-O 3.26Å; S14-I18 VanDerWaalsContact OG-CB 3.29Å; S14-I18 WeakPolarHBondContact OG-CB 3.45Å; S14-I18 PolarHBondContact OG-N 3.38Å; S14-V44 PolarHBondContact O-N 2.96Å; S14-V44 VanDerWaalsContact O-N 3.14Å; S14-R309 WeakPolarHBondContact CA-O 3.5Å
15E88.4Confident85.4Confident29 Ų2921.8 Ų21.814%0.13611%0.11CC..THydrogen-bonded Turntrans-61.8-18.1171.6-166.7-174.9162.400113.4E43 R309 T311E15-E43 WeakPolarHBondContact O-CA 3.4Å; E15-E43 WeakPolarHBondContact O-CB 3.27Å; E15-R309 PolarHBondContact N-O 3.2Å; E15-R309 IonicContact OE1-CZ 2.64Å; E15-R309 IonicContact OE1-NH2 3.4Å; E15-R309 PolarHBondContact OE1-NH2 3.48Å; E15-R309 IonicContact OE2-CZ 2.81Å; E15-R309 IonicContact OE2-NE 3.72Å; E15-R309 PolarHBondContact OE2-NE 3.37Å; E15-R309 IonicContact OE2-NH2 3.25Å; E15-R309 PolarHBondContact OE2-NH2 3.25Å; E15-T311 HydrophobicContact CB-CG2 4.14Å
16T85.4Confident85.8Confident46 Ų4628.8 Ų28.828%0.28214%0.136SC..THydrogen-bonded Turntrans-97.811.218061.20000112.7S14 I18 S39S14-T16 PolarHBondContact O-N 3.46Å; S14-T16 PolarHBondContact OG-N 3.48Å; S14-T16 PolarHBondContact OG-OG1 3.46Å; T16-I18 WeakPolarHBondContact OG1-CD1 3.36Å; T16-I18 WeakPolarHBondContact OG1-CG1 3.08Å; T16-S39 CarbonylContact C-O 3.54Å
17G83.9Confident86Confident9 Ų928.6 Ų28.69%0.09314%0.139CC..SBendtrans78.514.7-178.600000115.5S14 Q42S14-G17 PolarHBondContact O-N 3.4Å; S14-G17 VanDerWaalsContact O-N 3.16Å; G17-Q42 WeakPolarHBondContact CA-O 3.46Å
18I88.9Confident86.4Confident11 Ų1130.9 Ų30.96%0.05615%0.148CC..  trans-85.4126.5-179.6-57.7170.8000109.7S14 T16 K20 N31 S33 L38S14-I18 PolarHBondContact N-O 3.26Å; S14-I18 VanDerWaalsContact OG-CB 3.29Å; S14-I18 WeakPolarHBondContact OG-CB 3.45Å; S14-I18 PolarHBondContact OG-N 3.38Å; T16-I18 WeakPolarHBondContact OG1-CD1 3.36Å; T16-I18 WeakPolarHBondContact OG1-CG1 3.08Å; I18-K20 HydrophobicContact CG2-CD 4.36Å; I18-K20 HydrophobicContact CG2-CG 3.63Å; I18-N31 HydrophobicContact CG2-CB 4.16Å; I18-S33 WeakPolarHBondContact CA-OG 3.05Å; I18-S33 WeakPolarHBondContact CG2-OG 3.49Å; I18-L38 HydrophobicContact CD1-CD1 3.88Å; I18-L38 HydrophobicContact CD1-CD2 3.82Å; I18-L38 HydrophobicContact CG1-CD1 4.38Å; I18-L38 HydrophobicContact CG1-CD2 3.36Å
19L90.4Very high86.5Confident0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans-85121161.2-177.760.8000109.5W11 F32 L47 L59 F69 F76W11-L19 HydrophobicContact CB-CD1 4.48Å; W11-L19 HydrophobicContact CE3-CD1 4.07Å; W11-L19 HydrophobicContact CE3-CD2 4.16Å; W11-L19 HydrophobicContact CE3-CG 4.08Å; W11-L19 HydrophobicContact CZ3-CD2 4.21Å; W11-L19 HydrophobicContact CZ3-CG 4.4Å; L19-F32 PolarHBondContact O-N 3.01Å; L19-L47 HydrophobicContact CD1-CD2 4.33Å; L19-L59 HydrophobicContact CB-CD2 3.88Å; L19-L59 HydrophobicContact CD1-CD2 3.89Å; L19-L59 HydrophobicContact CD2-CD1 4.31Å; L19-L59 HydrophobicContact CD2-CD2 4.1Å; L19-L59 HydrophobicContact CG-CD2 4.14Å; L19-F69 HydrophobicContact CD2-CB 4.06Å; L19-F69 HydrophobicContact CD2-CD1 3.74Å; L19-F69 HydrophobicContact CD2-CD2 3.92Å; L19-F69 HydrophobicContact CD2-CE1 4.12Å; L19-F69 HydrophobicContact CD2-CE2 4.29Å; L19-F69 HydrophobicContact CD2-CG 3.61Å; L19-F69 HydrophobicContact CD2-CZ 4.37Å; L19-F76 HydrophobicContact CB-CZ 4.29Å; L19-F76 HydrophobicContact CD2-CZ 4.34Å
20K90.6Very high86.6Confident12 Ų1232.8 Ų32.85%0.05216%0.161CC..EExtended strand (participates in β ladder)trans-112.7133.1174.9-56.4-169172.5-173.10109.9W11 L12 I18 F30 N31 L306 S308W11-K20 CarbonylContact C-O 3.55Å; W11-K20 WeakPolarHBondContact CA-O 3.41Å; L12-K20 HydrophobicContact CB-CB 4.32Å; L12-K20 PolarHBondContact N-O 2.89Å; L12-K20 PolarHBondContact O-N 3.37Å; I18-K20 HydrophobicContact CG2-CD 4.36Å; I18-K20 HydrophobicContact CG2-CG 3.63Å; K20-F30 CarbonylContact C-O 3.57Å; K20-F30 VanDerWaalsContact CA-O 3.26Å; K20-F30 WeakPolarHBondContact CA-O 3.37Å; K20-N31 WeakPolarHBondContact CD-OD1 3.35Å; K20-N31 WeakPolarHBondContact CE-OD1 3.39Å; K20-N31 WeakPolarHBondContact CG-OD1 3.33Å; K20-L306 HydrophobicContact CD-CB 4.47Å; K20-L306 HydrophobicContact CD-CD2 4.4Å; K20-L306 PolarHBondContact NZ-O 3.44Å; K20-S308 WeakPolarHBondContact CE-OG 3.44Å; K20-S308 PolarHBondContact NZ-OG 2.73Å
21G89.9Confident86.5Confident0 Ų036.5 Ų36.50%018%0.181CC..EExtended strand (participates in β ladder)trans-107.5135.816600000109.5C8 V10 F30C8-G21 VanDerWaalsContact SG-CA 3.57Å; V10-G21 CarbonylContact O-C 3.56Å; V10-G21 WeakPolarHBondContact O-CA 3.43Å; G21-F30 PolarHBondContact N-O 3.23Å; G21-F30 PolarHBondContact O-N 3.03Å
22V88.9Confident86Confident0 Ų036.8 Ų36.80%018%0.183CC..EExtended strand (participates in β ladder)trans-115.7127.6177.9-176.70000108.4S9 V10 L12 L24 Q28 A29 L290 V304 L306S9-V22 PolarHBondContact N-O 3.43Å; V10-V22 HydrophobicContact CB-CB 4.3Å; V10-V22 PolarHBondContact N-O 3.41Å; V10-V22 VanDerWaalsContact N-O 3.14Å; V10-V22 PolarHBondContact O-N 3.42Å; L12-V22 HydrophobicContact CD1-CG2 3.85Å; V22-L24 HydrophobicContact CG1-CD2 4.36Å; V22-Q28 WeakPolarHBondContact CA-O 3.42Å; V22-A29 HydrophobicContact CG2-CB 4.12Å; V22-L290 HydrophobicContact CB-CD2 4.06Å; V22-L290 HydrophobicContact CG1-CD2 4.01Å; V22-L290 HydrophobicContact CG2-CD2 4.05Å; V22-V304 HydrophobicContact CG1-CG1 4.23Å; V22-V304 HydrophobicContact CG1-CG2 4.23Å; V22-L306 HydrophobicContact CG2-CD1 4.27Å; V22-L306 HydrophobicContact CG2-CD2 3.83Å
23S86.6Confident85.4Confident0 Ų037.7 Ų37.70%019%0.189CC..EExtended strand (participates in β ladder)trans-91.9114168.3-178.80000108.2L7 D25 K27 Q28L7-S23 WeakPolarHBondContact O-CA 3.24Å; L7-S23 WeakPolarHBondContact O-CB 3.26Å; L7-S23 PolarHBondContact O-OG 3.08Å; S23-D25 VanDerWaalsContact C-N 3.34Å; S23-K27 VanDerWaalsContact O-CA 3.31Å; S23-K27 WeakPolarHBondContact O-CA 3.2Å; S23-K27 PolarHBondContact O-N 3.29Å; S23-Q28 PolarHBondContact N-O 2.92Å; S23-Q28 PolarHBondContact O-N 2.93Å
24L81.6Confident84.4Confident3 Ų342.6 Ų42.62%0.01622%0.215CC..THydrogen-bonded Turntrans-71.4-30.7-179.1-70.7174.7000112.3S9 V10 V22 K27 L290 V292 H302 L320S9-L24 WeakPolarHBondContact OG-CG 3.49Å; S9-L24 PolarHBondContact OG-N 3.48Å; V10-L24 HydrophobicContact CG2-CD1 3.51Å; V10-L24 HydrophobicContact CG2-CD2 4.36Å; V10-L24 HydrophobicContact CG2-CG 3.89Å; V22-L24 HydrophobicContact CG1-CD2 4.36Å; L24-K27 PolarHBondContact O-N 2.89Å; L24-L290 HydrophobicContact CD2-CD2 4.42Å; L24-V292 HydrophobicContact CD1-CG2 4.04Å; L24-V292 HydrophobicContact CD2-CG2 4.09Å; L24-H302 HydrophobicContact CD2-CB 3.88Å; L24-H302 PolarHBondContact O-CE1 3.48Å; L24-L320 HydrophobicContact CB-CD2 4.03Å; L24-L320 HydrophobicContact CD1-CD1 4.05Å; L24-L320 HydrophobicContact CD1-CD2 3.34Å; L24-L320 HydrophobicContact CD1-CG 4.34Å; L24-L320 HydrophobicContact CG-CD2 4.19Å
25D79Confident83.4Confident114 Ų11446.9 Ų46.961%0.6124%0.241SC*.THydrogen-bonded Turntrans-63.9-47.1176.2-54.7-29.1000111.5S23S23-D25 VanDerWaalsContact C-N 3.34Å
26R77.6Confident82Confident148 Ų14856.5 Ų56.556%0.55828%0.277SS*.THydrogen-bonded Turntrans-88.2-7.6-179-61.5-171.6-179.3-167.61.6113.3Q28R26-Q28 HydrophobicContact CB-CB 4.29Å; R26-Q28 HydrophobicContact CB-CG 4.4Å; R26-Q28 PolarHBondContact O-N 3.32Å; R26-Q28 VanDerWaalsContact O-N 3.09Å
27K78.4Confident81Confident142 Ų14258.7 Ų58.762%0.61729%0.29SS*.THydrogen-bonded Turntrans49.430.7-171-59.3178.3-178.6174.20112.9S23 L24S23-K27 VanDerWaalsContact O-CA 3.31Å; S23-K27 WeakPolarHBondContact O-CA 3.2Å; S23-K27 PolarHBondContact O-N 3.29Å; L24-K27 PolarHBondContact O-N 2.89Å
28Q82.7Confident80.6Confident103 Ų10361.6 Ų61.648%0.48130%0.303SS..EExtended strand (participates in β ladder)trans-110.2145.6-177.9-79-177.95.100110.9V22 S23 R26 F30V22-Q28 WeakPolarHBondContact CA-O 3.42Å; S23-Q28 PolarHBondContact N-O 2.92Å; S23-Q28 PolarHBondContact O-N 2.93Å; R26-Q28 HydrophobicContact CB-CB 4.29Å; R26-Q28 HydrophobicContact CB-CG 4.4Å; R26-Q28 PolarHBondContact O-N 3.32Å; R26-Q28 VanDerWaalsContact O-N 3.09Å; Q28-F30 HydrophobicContact CB-CE1 4.48Å; Q28-F30 HydrophobicContact CB-CE2 4.32Å; Q28-F30 HydrophobicContact CB-CZ 3.97Å
29A84.6Confident80.1Confident45 Ų4563 Ų6337%0.37231%0.314SS..EExtended strand (participates in β ladder)trans-113134.7176.300000110.5V22 L306V22-A29 HydrophobicContact CG2-CB 4.12Å; A29-L306 HydrophobicContact CB-CD2 3.2Å
30F85.9Confident79.6Confident24 Ų2470.9 Ų70.911%0.10534%0.343CS..EExtended strand (participates in β ladder)trans-117.8137.1179-54.1-70.4000109.5R4 K20 G21 Q28 F32R4-F30 HydrophobicContact CB-CD1 4.29Å; R4-F30 HydrophobicContact CB-CD2 4.17Å; R4-F30 HydrophobicContact CB-CE1 4.49Å; R4-F30 HydrophobicContact CB-CE2 4.37Å; R4-F30 HydrophobicContact CB-CG 4.11Å; R4-F30 HydrophobicContact CG-CD1 4.18Å; R4-F30 HydrophobicContact CG-CE1 4.1Å; R4-F30 HydrophobicContact CG-CZ 4.36Å; K20-F30 CarbonylContact C-O 3.57Å; K20-F30 VanDerWaalsContact CA-O 3.26Å; K20-F30 WeakPolarHBondContact CA-O 3.37Å; G21-F30 PolarHBondContact N-O 3.23Å; G21-F30 PolarHBondContact O-N 3.03Å; Q28-F30 HydrophobicContact CB-CE1 4.48Å; Q28-F30 HydrophobicContact CB-CE2 4.32Å; Q28-F30 HydrophobicContact CB-CZ 3.97Å; F30-F32 HydrophobicContact CB-CD2 4.49Å; F30-F32 HydrophobicContact CB-CE2 3.74Å; F30-F32 HydrophobicContact CB-CZ 3.91Å
31N87.6Confident79.2Confident78 Ų7875.8 Ų75.842%0.41737%0.37SS..EExtended strand (participates in β ladder)trans-97.1131.8171.7-59.5-27.9000108.3I18 K20I18-N31 HydrophobicContact CG2-CB 4.16Å; K20-N31 WeakPolarHBondContact CD-OD1 3.35Å; K20-N31 WeakPolarHBondContact CE-OD1 3.39Å; K20-N31 WeakPolarHBondContact CG-OD1 3.33Å
32F82.1Confident78.9Confident9 Ų978.2 Ų78.24%0.03938%0.381CS..  trans-107.5-14.3-179.4-67.4-85.1000113.3M1 R4 W11 L19 F30 F69M1-F32 HydrophobicContact CB-CD1 4.47Å; M1-F32 HydrophobicContact CB-CE1 4.44Å; M1-F32 HydrophobicContact SD-CD1 4.29Å; R4-F32 HydrophobicContact CB-CE1 4.45Å; R4-F32 HydrophobicContact CB-CZ 4.29Å; W11-F32 HydrophobicContact CE3-CD2 4.46Å; W11-F32 HydrophobicContact CE3-CE2 4.45Å; W11-F32 HydrophobicContact CH2-CD2 4.2Å; W11-F32 AromaticContact CH2-CE2 3.76Å; W11-F32 HydrophobicContact CH2-CE2 3.76Å; W11-F32 AromaticContact CH2-CZ 3.96Å; W11-F32 HydrophobicContact CH2-CZ 3.96Å; W11-F32 AromaticContact CZ3-CD2 3.52Å; W11-F32 HydrophobicContact CZ3-CD2 3.52Å; W11-F32 AromaticContact CZ3-CE2 3.43Å; W11-F32 HydrophobicContact CZ3-CE2 3.43Å; W11-F32 VanDerWaalsContact CZ3-CE2 3.43Å; W11-F32 HydrophobicContact CZ3-CG 4.24Å; W11-F32 HydrophobicContact CZ3-CZ 4.1Å; L19-F32 PolarHBondContact O-N 3.01Å; F30-F32 HydrophobicContact CB-CD2 4.49Å; F30-F32 HydrophobicContact CB-CE2 3.74Å; F30-F32 HydrophobicContact CB-CZ 3.91Å; F32-F69 HydrophobicContact CB-CE2 3.73Å; F32-F69 HydrophobicContact CB-CZ 3.84Å; F32-F69 HydrophobicContact CD1-CE2 4.14Å; F32-F69 AromaticContact CD1-CZ 3.6Å; F32-F69 HydrophobicContact CD1-CZ 3.6Å; F32-F69 HydrophobicContact CD2-CZ 4.46Å; F32-F69 HydrophobicContact CE1-CZ 4.26Å; F32-F69 HydrophobicContact CG-CE2 4.12Å; F32-F69 AromaticContact CG-CZ 3.71Å; F32-F69 HydrophobicContact CG-CZ 3.71Å
33S79.2Confident78.9Confident18 Ų1879.6 Ų79.613%0.12639%0.388CS..SBendtrans-85.9153.8172.365.90000112I18 T35I18-S33 WeakPolarHBondContact CA-OG 3.05Å; I18-S33 WeakPolarHBondContact CG2-OG 3.49Å; S33-T35 PolarHBondContact O-N 2.85Å
34N71Confident79.1Confident103 Ų10379.7 Ų79.755%0.55139%0.388SS*.  trans-69.6117.8174.2-165.4-18.2000110.6R36 T37N34-R36 PolarHBondContact O-N 3.09Å; N34-R36 VanDerWaalsContact O-N 3.14Å; N34-R36 PolarHBondContact OD1-N 3.38Å; N34-T37 PolarHBondContact O-N 2.79Å
35T68.7Low79.5Confident91 Ų9182.8 Ų82.856%0.55840%0.4SS*.THydrogen-bonded Turntrans-68-9.4-177.3-13.60000113.8S33 L38S33-T35 PolarHBondContact O-N 2.85Å; T35-L38 HydrophobicContact CG2-CD1 3.86Å; T35-L38 WeakPolarHBondContact O-CD1 3.24Å; T35-L38 WeakPolarHBondContact O-CG 3.28Å
36R59.8Low80Confident231 Ų23177.6 Ų77.687%0.87237%0.372SS*.THydrogen-bonded Turntrans-86.6-20.6-178.5-67.6-175.3178178.8-0.8114.3N34N34-R36 PolarHBondContact O-N 3.09Å; N34-R36 VanDerWaalsContact O-N 3.14Å; N34-R36 PolarHBondContact OD1-N 3.38Å
37T63.8Low80.7Confident92 Ų9271.6 Ų71.656%0.56435%0.351SS*.SBendtrans-114.641.1-175.255.60000111.6N34N34-T37 PolarHBondContact O-N 2.79Å
38L75.4Confident81.3Confident70 Ų7066 Ų6637%0.36633%0.33SS..  trans-82.3120.9-177.5-60.3176.7000110.2I18 T35I18-L38 HydrophobicContact CD1-CD1 3.88Å; I18-L38 HydrophobicContact CD1-CD2 3.82Å; I18-L38 HydrophobicContact CG1-CD1 4.38Å; I18-L38 HydrophobicContact CG1-CD2 3.36Å; T35-L38 HydrophobicContact CG2-CD1 3.86Å; T35-L38 WeakPolarHBondContact O-CD1 3.24Å; T35-L38 WeakPolarHBondContact O-CG 3.28Å
39S79.1Confident81.7Confident40 Ų4062.9 Ų62.928%0.2831%0.314SS..  trans-128.4151.9167.4-174.20000110.3T16 D41 Q42T16-S39 CarbonylContact C-O 3.54Å; S39-D41 PolarHBondContact O-N 3.26Å; S39-D41 PolarHBondContact OG-N 3.35Å; S39-D41 PolarHBondContact OG-OD2 3.39Å; S39-Q42 PolarHBondContact O-N 2.98Å
40R80.2Confident81.9Confident166 Ų16661.1 Ų61.163%0.62630%0.3SS*.G310 helixtrans-68-23.1169.3-68.9-174179.7177.51.5112Q42 E43R40-Q42 PolarHBondContact O-N 3.17Å; R40-E43 WeakPolarHBondContact O-CB 3.28Å; R40-E43 PolarHBondContact O-N 3.18Å; R40-E43 VanDerWaalsContact O-N 3.09Å
41D81.1Confident81.8Confident114 Ų11462 Ų6261%0.6131%0.305SS*.G310 helixtrans-65.4-21.1176-47.7-43.6000111.7S39 A62 D63S39-D41 PolarHBondContact O-N 3.26Å; S39-D41 PolarHBondContact OG-N 3.35Å; S39-D41 PolarHBondContact OG-OD2 3.39Å; D41-A62 CarbonylContact O-C 3.55Å; D41-D63 PolarHBondContact O-N 2.79Å; D41-D63 VanDerWaalsContact O-N 3.1Å
42Q82.9Confident81.4Confident51 Ų5164.5 Ų64.524%0.23833%0.326CS..G310 helixtrans-9818.2177.3-59.2-170.91.300112.8G17 S39 R40 V44G17-Q42 WeakPolarHBondContact CA-O 3.46Å; S39-Q42 PolarHBondContact O-N 2.98Å; R40-Q42 PolarHBondContact O-N 3.17Å; Q42-V44 PolarHBondContact O-N 2.86Å
43E89.1Confident81.4Confident30 Ų3068 Ų6814%0.1436%0.357CS..  trans-44.8126.6176.5165.9169.4177.600110.7E15 R40 R45 C61 A62 T311E15-E43 WeakPolarHBondContact O-CA 3.4Å; E15-E43 WeakPolarHBondContact O-CB 3.27Å; R40-E43 WeakPolarHBondContact O-CB 3.28Å; R40-E43 PolarHBondContact O-N 3.18Å; R40-E43 VanDerWaalsContact O-N 3.09Å; E43-R45 PolarHBondContact O-N 2.83Å; E43-R45 WeakPolarHBondContact OE1-CD 3.38Å; E43-R45 IonicContact OE1-CZ 3.79Å; E43-R45 IonicContact OE1-NH1 3.03Å; E43-R45 PolarHBondContact OE1-NH1 2.96Å; E43-C61 CarbonylContact O-C 3.55Å; E43-C61 VanDerWaalsContact O-CA 3.29Å; E43-C61 WeakPolarHBondContact O-CA 3.44Å; E43-A62 HydrophobicContact CB-CB 4.05Å; E43-A62 PolarHBondContact O-N 2.95Å; E43-T311 HydrophobicContact CG-CG2 4.11Å; E43-T311 WeakPolarHBondContact OE1-CG2 3.36Å
44V90.7Very high81.6Confident1 Ų168.7 Ų68.71%0.00636%0.358CS..EExtended strand (participates in β ladder)trans-77.4112.4173-172.40000107.8S14 Q42 L47 L59 T311S14-V44 PolarHBondContact O-N 2.96Å; S14-V44 VanDerWaalsContact O-N 3.14Å; Q42-V44 PolarHBondContact O-N 2.86Å; V44-L47 HydrophobicContact CG1-CD2 3.89Å; V44-L47 HydrophobicContact CG1-CG 3.95Å; V44-L59 HydrophobicContact CG1-CB 4.31Å; V44-L59 HydrophobicContact CG1-CD2 4.13Å; V44-L59 HydrophobicContact CG2-CD2 4.16Å; V44-T311 WeakPolarHBondContact O-CB 3.39Å; V44-T311 PolarHBondContact O-OG1 3.43Å
45R90.8Very high82.3Confident69 Ų6965 Ų6526%0.2634%0.34SS..EExtended strand (participates in β ladder)trans-99-34.2-174.7-157.968.4-179.5136.36112.9E43 G60 C89 F90E43-R45 PolarHBondContact O-N 2.83Å; E43-R45 WeakPolarHBondContact OE1-CD 3.38Å; E43-R45 IonicContact OE1-CZ 3.79Å; E43-R45 IonicContact OE1-NH1 3.03Å; E43-R45 PolarHBondContact OE1-NH1 2.96Å; R45-G60 PolarHBondContact N-O 3.27Å; R45-C89 HydrophobicContact CG-CB 4.4Å; R45-F90 WeakPolarHBondContact CG-O 3.26Å
46A89.8Confident83.3Confident4 Ų463.8 Ų63.83%0.03333%0.328CS..EExtended strand (participates in β ladder)trans-134.3144178.900000110.8G60 L93A46-G60 PolarHBondContact N-O 2.65Å; A46-G60 PolarHBondContact O-N 2.86Å; A46-L93 HydrophobicContact CB-CB 3.67Å
47L92.2Very high84.8Confident22 Ų2252.8 Ų52.812%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-130.2138.3173.7-76.6173.2000108.6L19 V44 L58 L59 C312 L314L19-L47 HydrophobicContact CD1-CD2 4.33Å; V44-L47 HydrophobicContact CG1-CD2 3.89Å; V44-L47 HydrophobicContact CG1-CG 3.95Å; L47-L58 WeakPolarHBondContact CA-O 3.47Å; L47-L59 HydrophobicContact CD2-CB 4.18Å; L47-L59 HydrophobicContact CD2-CD2 3.83Å; L47-L59 HydrophobicContact CD2-CG 3.56Å; L47-C312 HydrophobicContact CD1-CB 4.24Å; L47-C312 WeakPolarHBondContact CD1-SG 3.44Å; L47-C312 HydrophobicContact CG-CB 4.33Å; L47-C312 VanDerWaalsContact CG-SG 3.51Å; L47-L314 HydrophobicContact CB-CB 4.26Å
48C91.6Very high86.1Confident26 Ų2648.6 Ų48.618%0.17626%0.261CS..EExtended strand (participates in β ladder)trans-149.3152.2175.6-167.60000110.3L58 L93C48-L58 PolarHBondContact N-O 2.9Å; C48-L58 VanDerWaalsContact N-O 3.09Å; C48-L58 PolarHBondContact O-N 3.48Å; C48-L93 HydrophobicContact CB-CD2 4.48Å; C48-L93 HydrophobicContact CB-CG 4.37Å
49W91.4Very high86.9Confident36 Ų3645.5 Ų45.514%0.13624%0.244CC..EExtended strand (participates in β ladder)trans-73.6133.6166.5-66.7117000109.3W11 E54 L57 T71 L314 L315 A316W11-W49 AromaticContact CD1-CH2 3.57Å; W11-W49 AromaticContact CD1-CZ2 3.84Å; W11-W49 AromaticContact NE1-CH2 3.56Å; W49-E54 HydrophobicContact CD2-CB 4.01Å; W49-E54 HydrophobicContact CD2-CG 3.76Å; W49-E54 HydrophobicContact CE3-CB 3.68Å; W49-E54 HydrophobicContact CE3-CG 3.97Å; W49-E54 HydrophobicContact CG-CG 4.15Å; W49-E54 HydrophobicContact CH2-CB 3.94Å; W49-E54 HydrophobicContact CH2-CG 4.41Å; W49-E54 HydrophobicContact CZ2-CB 4.26Å; W49-E54 HydrophobicContact CZ2-CG 4.23Å; W49-E54 HydrophobicContact CZ3-CB 3.62Å; W49-E54 HydrophobicContact CZ3-CG 4.27Å; W49-E54 VanDerWaalsContact CZ3-O 3.28Å; W49-E54 WeakPolarHBondContact CZ3-O 3.32Å; W49-L57 HydrophobicContact CD2-CD2 3.69Å; W49-L57 HydrophobicContact CE3-CD2 3.21Å; W49-L57 HydrophobicContact CE3-CG 3.79Å; W49-L57 HydrophobicContact CH2-CD1 4.31Å; W49-L57 HydrophobicContact CH2-CD2 3.65Å; W49-L57 HydrophobicContact CH2-CG 4.11Å; W49-L57 HydrophobicContact CZ2-CD2 4.07Å; W49-L57 HydrophobicContact CZ3-CD1 4.09Å; W49-L57 HydrophobicContact CZ3-CD2 3.21Å; W49-L57 HydrophobicContact CZ3-CG 3.46Å; W49-L57 VanDerWaalsContact CZ3-CG 3.46Å; W49-T71 HydrophobicContact CH2-CG2 4.21Å; W49-T71 HydrophobicContact CZ3-CG2 3.74Å; W49-L314 HydrophobicContact CD2-CD2 3.69Å; W49-L314 HydrophobicContact CD2-CG 4.37Å; W49-L314 VanDerWaalsContact CE2-CD2 3.48Å; W49-L314 HydrophobicContact CE3-CD2 4.39Å; W49-L314 HydrophobicContact CG-CD1 4.48Å; W49-L314 HydrophobicContact CG-CD2 3.87Å; W49-L314 HydrophobicContact CG-CG 4.45Å; W49-L314 HydrophobicContact CZ2-CD2 4Å; W49-L314 HydrophobicContact CZ2-CG 4.17Å; W49-L315 PolarHBondContact NE1-O 3.14Å; W49-L315 VanDerWaalsContact NE1-O 3.09Å; W49-A316 HydrophobicContact CZ2-CB 4.03Å
50A87Confident87.5Confident9 Ų943.6 Ų43.67%0.07423%0.231CC..SBendtrans-72.5-38.6172.800000110.5E56 L58 S95A50-E56 HydrophobicContact CB-CB 3.75Å; A50-E56 PolarHBondContact N-O 3.5Å; A50-L58 HydrophobicContact CB-CD1 4.09Å; A50-L58 HydrophobicContact CB-CD2 4.06Å; A50-L58 HydrophobicContact CB-CG 3.8Å; A50-S95 WeakPolarHBondContact O-CB 3.34Å; A50-S95 PolarHBondContact O-OG 2.94Å
51D83.8Confident87.9Confident42 Ų4235.8 Ų35.823%0.22520%0.202CC..SBendtrans-123.9148.3-174.4-62.3-49.4000112A53 E54 S55D51-A53 HydrophobicContact CB-CB 4.47Å; D51-A53 PolarHBondContact O-N 2.93Å; D51-A53 VanDerWaalsContact O-N 3.16Å; D51-E54 PolarHBondContact O-N 3.14Å; D51-S55 PolarHBondContact OD2-OG 2.98Å
52P79.1Confident88.2Confident130 Ų13031.3 Ų31.384%0.84418%0.181SC*.THydrogen-bonded Turntrans-59.3-22168.2-22.433.5000113.6E54P52-E54 VanDerWaalsContact C-N 3.27Å
53A82Confident88.2Confident83 Ų8330.8 Ų30.869%0.68618%0.18SC*.THydrogen-bonded Turntrans-80-5.1176.500000113.6D51 S55D51-A53 HydrophobicContact CB-CB 4.47Å; D51-A53 PolarHBondContact O-N 2.93Å; D51-A53 VanDerWaalsContact O-N 3.16Å; A53-S55 PolarHBondContact O-N 3.11Å
54E84.8Confident88Confident33 Ų3329.6 Ų29.615%0.15418%0.176CC..  trans59.924.8177.7-56.7-177.4177.200114.7W49 D51 P52 T71 A316 S317W49-E54 HydrophobicContact CD2-CB 4.01Å; W49-E54 HydrophobicContact CD2-CG 3.76Å; W49-E54 HydrophobicContact CE3-CB 3.68Å; W49-E54 HydrophobicContact CE3-CG 3.97Å; W49-E54 HydrophobicContact CG-CG 4.15Å; W49-E54 HydrophobicContact CH2-CB 3.94Å; W49-E54 HydrophobicContact CH2-CG 4.41Å; W49-E54 HydrophobicContact CZ2-CB 4.26Å; W49-E54 HydrophobicContact CZ2-CG 4.23Å; W49-E54 HydrophobicContact CZ3-CB 3.62Å; W49-E54 HydrophobicContact CZ3-CG 4.27Å; W49-E54 VanDerWaalsContact CZ3-O 3.28Å; W49-E54 WeakPolarHBondContact CZ3-O 3.32Å; D51-E54 PolarHBondContact O-N 3.14Å; P52-E54 VanDerWaalsContact C-N 3.27Å; E54-T71 PolarHBondContact O-OG1 3.39Å; E54-A316 VanDerWaalsContact OE2-CA 3.24Å; E54-A316 WeakPolarHBondContact OE2-CA 3.38Å; E54-A316 VanDerWaalsContact OE2-CB 3.28Å; E54-A316 WeakPolarHBondContact OE2-CB 3.39Å; E54-S317 VanDerWaalsContact CD-N 3.29Å; E54-S317 WeakPolarHBondContact OE1-CA 3.32Å; E54-S317 WeakPolarHBondContact OE1-CB 3.45Å; E54-S317 PolarHBondContact OE1-N 2.83Å; E54-S317 PolarHBondContact OE1-OG 3.18Å; E54-S317 PolarHBondContact OE2-N 3.37Å; E54-S317 PolarHBondContact OE2-OG 3.07Å
55S85.9Confident87.9Confident26 Ų2631 Ų3118%0.18218%0.184CC..  trans-70.3-34.1174.5360000112.9D51 A53 T71D51-S55 PolarHBondContact OD2-OG 2.98Å; A53-S55 PolarHBondContact O-N 3.11Å; S55-T71 PolarHBondContact O-N 2.78Å; S55-T71 PolarHBondContact O-OG1 2.63Å
56E89.4Confident87.9Confident65 Ų6527.7 Ų27.730%0.30417%0.172SC..EExtended strand (participates in β ladder)trans-134.6144.3-174.1-62.5-161.115200112.8A50 T68 F69A50-E56 HydrophobicContact CB-CB 3.75Å; A50-E56 PolarHBondContact N-O 3.5Å; E56-T68 HydrophobicContact CB-CG2 4.21Å; E56-T68 WeakPolarHBondContact OE2-CG2 3.43Å; E56-F69 WeakPolarHBondContact CA-O 3.35Å
57L91.4Very high88Confident0 Ų030.2 Ų30.20%018%0.18CC..EExtended strand (participates in β ladder)trans-116.7131.5-178.4-75.1171.8000110W11 W49 T68 F69 T71 L314W11-L57 HydrophobicContact CB-CD1 4.25Å; W11-L57 HydrophobicContact CD2-CD1 3.44Å; W11-L57 VanDerWaalsContact CD2-CD1 3.44Å; W11-L57 HydrophobicContact CE3-CD1 3.83Å; W11-L57 HydrophobicContact CG-CD1 3.62Å; W11-L57 HydrophobicContact CZ2-CD1 4.26Å; W11-L57 HydrophobicContact CZ3-CD1 4.36Å; W49-L57 HydrophobicContact CD2-CD2 3.69Å; W49-L57 HydrophobicContact CE3-CD2 3.21Å; W49-L57 HydrophobicContact CE3-CG 3.79Å; W49-L57 HydrophobicContact CH2-CD1 4.31Å; W49-L57 HydrophobicContact CH2-CD2 3.65Å; W49-L57 HydrophobicContact CH2-CG 4.11Å; W49-L57 HydrophobicContact CZ2-CD2 4.07Å; W49-L57 HydrophobicContact CZ3-CD1 4.09Å; W49-L57 HydrophobicContact CZ3-CD2 3.21Å; W49-L57 HydrophobicContact CZ3-CG 3.46Å; W49-L57 VanDerWaalsContact CZ3-CG 3.46Å; L57-T68 CarbonylContact O-C 3.55Å; L57-T68 WeakPolarHBondContact O-CA 3.32Å; L57-F69 HydrophobicContact CB-CB 4.21Å; L57-F69 HydrophobicContact CB-CD1 4.46Å; L57-F69 HydrophobicContact CD1-CD1 4Å; L57-F69 PolarHBondContact N-O 2.89Å; L57-F69 PolarHBondContact O-N 2.97Å; L57-T71 HydrophobicContact CD1-CG2 3.65Å; L57-T71 HydrophobicContact CG-CG2 3.85Å; L57-L314 HydrophobicContact CD2-CD2 3.21Å
58L91.5Very high87.9Confident4 Ų429.2 Ų29.22%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-101.4128.8173.1-55.9175.3000109.6L47 C48 A50 V66 T68 L93 I101L47-L58 WeakPolarHBondContact CA-O 3.47Å; C48-L58 PolarHBondContact N-O 2.9Å; C48-L58 VanDerWaalsContact N-O 3.09Å; C48-L58 PolarHBondContact O-N 3.48Å; A50-L58 HydrophobicContact CB-CD1 4.09Å; A50-L58 HydrophobicContact CB-CD2 4.06Å; A50-L58 HydrophobicContact CB-CG 3.8Å; L58-V66 HydrophobicContact CB-CG1 4.39Å; L58-T68 HydrophobicContact CD2-CG2 4.09Å; L58-L93 HydrophobicContact CB-CD2 3.63Å; L58-L93 HydrophobicContact CB-CG 4.35Å; L58-I101 HydrophobicContact CD1-CD1 3.73Å; L58-I101 HydrophobicContact CD1-CG1 3.85Å; L58-I101 HydrophobicContact CD1-CG2 4.44Å; L58-I101 HydrophobicContact CD2-CD1 3.68Å; L58-I101 HydrophobicContact CG-CD1 4.3Å
59L91.6Very high87.9Confident4 Ų428 Ų282%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-114.8118.9177-5996.2000109.8L19 V44 L47 V66 R67 F69 F76L19-L59 HydrophobicContact CB-CD2 3.88Å; L19-L59 HydrophobicContact CD1-CD2 3.89Å; L19-L59 HydrophobicContact CD2-CD1 4.31Å; L19-L59 HydrophobicContact CD2-CD2 4.1Å; L19-L59 HydrophobicContact CG-CD2 4.14Å; V44-L59 HydrophobicContact CG1-CB 4.31Å; V44-L59 HydrophobicContact CG1-CD2 4.13Å; V44-L59 HydrophobicContact CG2-CD2 4.16Å; L47-L59 HydrophobicContact CD2-CB 4.18Å; L47-L59 HydrophobicContact CD2-CD2 3.83Å; L47-L59 HydrophobicContact CD2-CG 3.56Å; L59-V66 CarbonylContact O-C 3.6Å; L59-V66 VanDerWaalsContact O-CA 3.22Å; L59-V66 WeakPolarHBondContact O-CA 3.31Å; L59-R67 HydrophobicContact CB-CB 4.37Å; L59-R67 HydrophobicContact CD1-CB 4.41Å; L59-R67 VanDerWaalsContact CD1-O 3.28Å; L59-R67 WeakPolarHBondContact CD1-O 3.09Å; L59-R67 PolarHBondContact N-O 3.42Å; L59-R67 PolarHBondContact O-N 2.91Å; L59-F69 HydrophobicContact CD1-CB 3.8Å; L59-F76 HydrophobicContact CD1-CE1 3.93Å; L59-F76 HydrophobicContact CD2-CE1 4.48Å
60G90.4Very high87.8Confident0 Ų026.6 Ų26.60%016%0.163CC..EExtended strand (participates in β ladder)trans-91.5112.3170.500000110.1R45 A46R45-G60 PolarHBondContact N-O 3.27Å; A46-G60 PolarHBondContact N-O 2.65Å; A46-G60 PolarHBondContact O-N 2.86Å
61C89.3Confident87.6Confident2 Ų227 Ų271%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-89.7154.7177.2-74.50000111.8E43 D63 G64 T65 F90E43-C61 CarbonylContact O-C 3.55Å; E43-C61 VanDerWaalsContact O-CA 3.29Å; E43-C61 WeakPolarHBondContact O-CA 3.44Å; C61-D63 WeakPolarHBondContact CB-OD1 3.42Å; C61-D63 PolarHBondContact O-N 3.44Å; C61-G64 PolarHBondContact O-N 2.97Å; C61-T65 PolarHBondContact N-O 3.14Å; C61-F90 WeakPolarHBondContact O-CD2 3.45Å; C61-F90 WeakPolarHBondContact O-CE2 3.3Å
62A87Confident87.6Confident21 Ų2130.3 Ų30.317%0.17418%0.178CC..THydrogen-bonded Turntrans-65.1-19.8178.300000113.7D41 E43 G64D41-A62 CarbonylContact O-C 3.55Å; E43-A62 HydrophobicContact CB-CB 4.05Å; E43-A62 PolarHBondContact O-N 2.95Å; A62-G64 PolarHBondContact O-N 2.64Å
63D84.4Confident87.7Confident40 Ų4030 Ų3021%0.21416%0.164CC..THydrogen-bonded Turntrans-74.51.8175.763.64.2000114.3D41 C61 T65 R67D41-D63 PolarHBondContact O-N 2.79Å; D41-D63 VanDerWaalsContact O-N 3.1Å; C61-D63 WeakPolarHBondContact CB-OD1 3.42Å; C61-D63 PolarHBondContact O-N 3.44Å; D63-T65 VanDerWaalsContact C-N 3.3Å; D63-T65 VanDerWaalsContact CG-OG1 3.28Å; D63-T65 VanDerWaalsContact OD1-CB 3.3Å; D63-T65 WeakPolarHBondContact OD1-CB 3.35Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.29Å; D63-T65 PolarHBondContact OD1-N 3.48Å; D63-T65 PolarHBondContact OD1-OG1 3.1Å; D63-T65 PolarHBondContact OD2-OG1 3.45Å; D63-R67 IonicContact OD2-NH2 2.75Å
64G84.9Confident87.8Confident5 Ų526 Ų265%0.05213%0.131CC..SBendtrans83.34.9-177.100000113.8C61 A62 C82 G83 F90C61-G64 PolarHBondContact O-N 2.97Å; A62-G64 PolarHBondContact O-N 2.64Å; G64-C82 PolarHBondContact O-N 2.8Å; G64-G83 PolarHBondContact O-N 2.77Å; G64-F90 WeakPolarHBondContact O-CZ 3.34Å
65T88.7Confident87.8Confident30 Ų3028.7 Ų28.718%0.18415%0.145CC..EExtended strand (participates in β ladder)trans-93141.3175.870.80000112.2C61 D63 R80C61-T65 PolarHBondContact N-O 3.14Å; D63-T65 VanDerWaalsContact C-N 3.3Å; D63-T65 VanDerWaalsContact CG-OG1 3.28Å; D63-T65 VanDerWaalsContact OD1-CB 3.3Å; D63-T65 WeakPolarHBondContact OD1-CB 3.35Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.29Å; D63-T65 PolarHBondContact OD1-N 3.48Å; D63-T65 PolarHBondContact OD1-OG1 3.1Å; D63-T65 PolarHBondContact OD2-OG1 3.45Å; T65-R80 CarbonylContact C-O 3.56Å; T65-R80 VanDerWaalsContact CA-O 3.27Å; T65-R80 WeakPolarHBondContact CA-O 3.05Å
66V90.4Very high87.9Confident0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-106.5121.3168.1179.30000108.2L58 L59 R80 C82 F90 L93 I101 T103L58-V66 HydrophobicContact CB-CG1 4.39Å; L59-V66 CarbonylContact O-C 3.6Å; L59-V66 VanDerWaalsContact O-CA 3.22Å; L59-V66 WeakPolarHBondContact O-CA 3.31Å; V66-R80 PolarHBondContact N-O 2.88Å; V66-R80 PolarHBondContact O-N 3.29Å; V66-C82 HydrophobicContact CG2-CB 3.88Å; V66-F90 HydrophobicContact CG2-CE2 4.08Å; V66-F90 HydrophobicContact CG2-CZ 4.13Å; V66-L93 HydrophobicContact CG1-CD1 4.22Å; V66-L93 HydrophobicContact CG1-CD2 4.4Å; V66-L93 HydrophobicContact CG2-CD1 3.99Å; V66-I101 HydrophobicContact CG1-CD1 3.99Å; V66-T103 HydrophobicContact CG2-CG2 3.86Å
67R90.4Very high87.7Confident56 Ų5630.7 Ų30.721%0.21116%0.155CC..EExtended strand (participates in β ladder)trans-105.5136.9177.7-58.7-178.2-174.6177.11.8110L59 D63 F76 E78 A79L59-R67 HydrophobicContact CB-CB 4.37Å; L59-R67 HydrophobicContact CD1-CB 4.41Å; L59-R67 VanDerWaalsContact CD1-O 3.28Å; L59-R67 WeakPolarHBondContact CD1-O 3.09Å; L59-R67 PolarHBondContact N-O 3.42Å; L59-R67 PolarHBondContact O-N 2.91Å; D63-R67 IonicContact OD2-NH2 2.75Å; R67-F76 HydrophobicContact CB-CD1 4.19Å; R67-F76 HydrophobicContact CB-CE1 4.47Å; R67-E78 CarbonylContact C-O 3.52Å; R67-E78 WeakPolarHBondContact CA-O 3.42Å; R67-A79 HydrophobicContact CG-CB 4.17Å
68T91.1Very high87.4Confident2 Ų234.8 Ų34.81%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-101.1131.5175-51.40000109.3E56 L57 L58 F76 T77 E78E56-T68 HydrophobicContact CB-CG2 4.21Å; E56-T68 WeakPolarHBondContact OE2-CG2 3.43Å; L57-T68 CarbonylContact O-C 3.55Å; L57-T68 WeakPolarHBondContact O-CA 3.32Å; L58-T68 HydrophobicContact CD2-CG2 4.09Å; T68-F76 CarbonylContact O-C 3.55Å; T68-F76 WeakPolarHBondContact O-CA 3.43Å; T68-T77 WeakPolarHBondContact CG2-OG1 3.34Å; T68-T77 PolarHBondContact O-N 3.43Å; T68-T77 PolarHBondContact O-OG1 2.97Å; T68-E78 PolarHBondContact N-O 3.44Å
69F90.8Very high87.2Confident0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-124.4121.9179.2178.1-89.9000110W11 L19 F32 E56 L57 L59 G74 F76W11-F69 AromaticContact CH2-CE1 3.58Å; W11-F69 HydrophobicContact CH2-CE1 3.58Å; W11-F69 HydrophobicContact CH2-CZ 4.23Å; W11-F69 HydrophobicContact CZ2-CE1 4.45Å; W11-F69 HydrophobicContact CZ3-CD1 4.4Å; W11-F69 AromaticContact CZ3-CE1 3.65Å; W11-F69 HydrophobicContact CZ3-CE1 3.65Å; W11-F69 HydrophobicContact CZ3-CZ 4.19Å; L19-F69 HydrophobicContact CD2-CB 4.06Å; L19-F69 HydrophobicContact CD2-CD1 3.74Å; L19-F69 HydrophobicContact CD2-CD2 3.92Å; L19-F69 HydrophobicContact CD2-CE1 4.12Å; L19-F69 HydrophobicContact CD2-CE2 4.29Å; L19-F69 HydrophobicContact CD2-CG 3.61Å; L19-F69 HydrophobicContact CD2-CZ 4.37Å; F32-F69 HydrophobicContact CB-CE2 3.73Å; F32-F69 HydrophobicContact CB-CZ 3.84Å; F32-F69 HydrophobicContact CD1-CE2 4.14Å; F32-F69 AromaticContact CD1-CZ 3.6Å; F32-F69 HydrophobicContact CD1-CZ 3.6Å; F32-F69 HydrophobicContact CD2-CZ 4.46Å; F32-F69 HydrophobicContact CE1-CZ 4.26Å; F32-F69 HydrophobicContact CG-CE2 4.12Å; F32-F69 AromaticContact CG-CZ 3.71Å; F32-F69 HydrophobicContact CG-CZ 3.71Å; E56-F69 WeakPolarHBondContact CA-O 3.35Å; L57-F69 HydrophobicContact CB-CB 4.21Å; L57-F69 HydrophobicContact CB-CD1 4.46Å; L57-F69 HydrophobicContact CD1-CD1 4Å; L57-F69 PolarHBondContact N-O 2.89Å; L57-F69 PolarHBondContact O-N 2.97Å; L59-F69 HydrophobicContact CD1-CB 3.8Å; F69-G74 VanDerWaalsContact CE2-C 3.45Å; F69-F76 HydrophobicContact CB-CD1 3.98Å; F69-F76 HydrophobicContact CB-CE1 4.04Å; F69-F76 AromaticContact CD2-CD1 3.97Å; F69-F76 HydrophobicContact CD2-CD1 3.97Å; F69-F76 HydrophobicContact CD2-CD2 4.07Å; F69-F76 AromaticContact CD2-CE1 3.93Å; F69-F76 HydrophobicContact CD2-CE1 3.93Å; F69-F76 HydrophobicContact CD2-CE2 4.02Å; F69-F76 HydrophobicContact CD2-CG 4.05Å; F69-F76 AromaticContact CD2-CZ 3.95Å; F69-F76 HydrophobicContact CD2-CZ 3.95Å; F69-F76 HydrophobicContact CE2-CE2 4.4Å; F69-F76 HydrophobicContact CG-CD1 4.48Å; F69-F76 HydrophobicContact CG-CE1 4.39Å
70S89.2Confident86.8Confident6 Ų640.6 Ų40.64%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-82.4121.8176.4173.70000110E72 K73 G74 I75S70-E72 VanDerWaalsContact C-N 3.33Å; S70-K73 PolarHBondContact OG-N 3.18Å; S70-G74 VanDerWaalsContact O-CA 3.27Å; S70-G74 WeakPolarHBondContact O-CA 3.38Å; S70-G74 PolarHBondContact O-N 3.01Å; S70-I75 PolarHBondContact N-O 3.16Å
71T84.8Confident86.6Confident18 Ų1844.9 Ų44.911%0.1124%0.241CC..THydrogen-bonded Turntrans-71.2-30.4177.159.50000111.8S5 W11 W49 E54 S55 L57S5-T71 WeakPolarHBondContact CB-O 3.48Å; S5-T71 PolarHBondContact OG-O 3.3Å; W11-T71 HydrophobicContact CZ2-CG2 3.9Å; W49-T71 HydrophobicContact CH2-CG2 4.21Å; W49-T71 HydrophobicContact CZ3-CG2 3.74Å; E54-T71 PolarHBondContact O-OG1 3.39Å; S55-T71 PolarHBondContact O-N 2.78Å; S55-T71 PolarHBondContact O-OG1 2.63Å; L57-T71 HydrophobicContact CD1-CG2 3.65Å; L57-T71 HydrophobicContact CG-CG2 3.85Å
72E83.1Confident86.1Confident112 Ų11244.9 Ų44.952%0.52324%0.241SC..THydrogen-bonded Turntrans-68.7-50178.4-64.5-171166.300111.7E2 S70E2-E72 WeakPolarHBondContact CG-O 3.31Å; S70-E72 VanDerWaalsContact C-N 3.33Å
73K81.8Confident85.4Confident123 Ų12344.2 Ų44.254%0.53524%0.236SC..THydrogen-bonded Turntrans-83.9-24.8-177-62.7175.5-177.3169.50112.5S70 I75S70-K73 PolarHBondContact OG-N 3.18Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-I75 HydrophobicContact CB-CD1 4.21Å; K73-I75 HydrophobicContact CB-CG1 3.79Å; K73-I75 HydrophobicContact CD-CD1 4.38Å
74G82.3Confident84.9Confident0 Ų046.9 Ų46.90%025%0.25CS..THydrogen-bonded Turntrans69.230.3-177.200000113.4F69 S70F69-G74 VanDerWaalsContact CE2-C 3.45Å; S70-G74 VanDerWaalsContact O-CA 3.27Å; S70-G74 WeakPolarHBondContact O-CA 3.38Å; S70-G74 PolarHBondContact O-N 3.01Å
75I86.4Confident84.3Confident89 Ų8951.4 Ų51.446%0.45628%0.279SS..EExtended strand (participates in β ladder)trans-131155.3-179.263.9175.9000110.8S70 K73 T77S70-I75 PolarHBondContact N-O 3.16Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-I75 HydrophobicContact CB-CD1 4.21Å; K73-I75 HydrophobicContact CB-CG1 3.79Å; K73-I75 HydrophobicContact CD-CD1 4.38Å; I75-T77 PolarHBondContact O-N 2.89Å
76F86.8Confident83.7Confident76 Ų7659.3 Ų59.333%0.33331%0.314SS..EExtended strand (participates in β ladder)trans-74.9122.1167.7-65.7-84.9000108.9L19 L59 R67 T68 F69L19-F76 HydrophobicContact CB-CZ 4.29Å; L19-F76 HydrophobicContact CD2-CZ 4.34Å; L59-F76 HydrophobicContact CD1-CE1 3.93Å; L59-F76 HydrophobicContact CD2-CE1 4.48Å; R67-F76 HydrophobicContact CB-CD1 4.19Å; R67-F76 HydrophobicContact CB-CE1 4.47Å; T68-F76 CarbonylContact O-C 3.55Å; T68-F76 WeakPolarHBondContact O-CA 3.43Å; F69-F76 HydrophobicContact CB-CD1 3.98Å; F69-F76 HydrophobicContact CB-CE1 4.04Å; F69-F76 AromaticContact CD2-CD1 3.97Å; F69-F76 HydrophobicContact CD2-CD1 3.97Å; F69-F76 HydrophobicContact CD2-CD2 4.07Å; F69-F76 AromaticContact CD2-CE1 3.93Å; F69-F76 HydrophobicContact CD2-CE1 3.93Å; F69-F76 HydrophobicContact CD2-CE2 4.02Å; F69-F76 HydrophobicContact CD2-CG 4.05Å; F69-F76 AromaticContact CD2-CZ 3.95Å; F69-F76 HydrophobicContact CD2-CZ 3.95Å; F69-F76 HydrophobicContact CE2-CE2 4.4Å; F69-F76 HydrophobicContact CG-CD1 4.48Å; F69-F76 HydrophobicContact CG-CE1 4.39Å
77T86.4Confident83Confident56 Ų5660.4 Ų60.434%0.34432%0.319SS..EExtended strand (participates in β ladder)trans-89.5-45.2-178.246.20000110.7T68 I75T68-T77 WeakPolarHBondContact CG2-OG1 3.34Å; T68-T77 PolarHBondContact O-N 3.43Å; T68-T77 PolarHBondContact O-OG1 2.97Å; I75-T77 PolarHBondContact O-N 2.89Å
78E84.8Confident82.6Confident87 Ų8759.1 Ų59.141%0.40732%0.324SS..EExtended strand (participates in β ladder)trans-139.8154.9-173.4-59.9-169.415600112.6R67 T68R67-E78 CarbonylContact C-O 3.52Å; R67-E78 WeakPolarHBondContact CA-O 3.42Å; T68-E78 PolarHBondContact N-O 3.44Å
79A86.8Confident82.3Confident74 Ų7460.7 Ų60.761%0.61233%0.334SS*.EExtended strand (participates in β ladder)trans-137.6122.8168.100000108.6R67R67-A79 HydrophobicContact CG-CB 4.17Å
80R84.2Confident82.2Confident56 Ų5661 Ų6121%0.21134%0.335CS..EExtended strand (participates in β ladder)trans-118.7138.6-178.9-66.7-168.5-79.5-169.3-18.8110.3T65 V66T65-R80 CarbonylContact C-O 3.56Å; T65-R80 VanDerWaalsContact CA-O 3.27Å; T65-R80 WeakPolarHBondContact CA-O 3.05Å; V66-R80 PolarHBondContact N-O 2.88Å; V66-R80 PolarHBondContact O-N 3.29Å
81S85.6Confident82.1Confident89 Ų8960.9 Ų60.962%0.62234%0.335SS*.EExtended strand (participates in β ladder)trans-84.4112169.8-167.80000108.4
82C78.7Confident82.2Confident2 Ų260.1 Ų60.11%0.01433%0.331CS..  trans-122.917.9-171.9-62.60000112.7G64 V66 F90 T103 W113G64-C82 PolarHBondContact O-N 2.8Å; V66-C82 HydrophobicContact CG2-CB 3.88Å; C82-F90 HydrophobicContact CB-CZ 4.37Å; C82-T103 HydrophobicContact CB-CG2 3.89Å; C82-T103 PolarHBondContact O-OG1 3.08Å; C82-W113 VanDerWaalsContact CA-CZ2 3.47Å; C82-W113 HydrophobicContact CB-CD2 4.17Å; C82-W113 HydrophobicContact CB-CG 4.47Å; C82-W113 HydrophobicContact CB-CZ2 4Å; C82-W113 WeakPolarHBondContact O-CZ2 3.14Å
83G72.5Confident82.6Confident8 Ų855.4 Ų55.48%0.08231%0.309CS..SBendtrans-173.2155.2177.700000111.4G64G64-G83 PolarHBondContact O-N 2.77Å
84D74.4Confident83Confident95 Ų9549.7 Ų49.751%0.50829%0.285SS..  trans-85.4136.8172.2-72-49.4000109.5Q86 E87D84-Q86 PolarHBondContact O-N 2.99Å; D84-E87 HydrophobicContact CB-CG 4.09Å; D84-E87 WeakPolarHBondContact O-CB 3.06Å; D84-E87 PolarHBondContact O-N 3.45Å
85P72.3Confident83.3Confident100 Ų10050.4 Ų50.465%0.64929%0.29SS*.G310 helixtrans-57-22.4177.2-26.634.2000114.2E87P85-E87 VanDerWaalsContact C-N 3.31Å
86Q74.7Confident83.2Confident196 Ų19647.5 Ų47.592%0.91628%0.275SS*.G310 helixtrans-76.6-16177.9-62.8-163.4-6.900113.7D84 G88D84-Q86 PolarHBondContact O-N 2.99Å; Q86-G88 VanDerWaalsContact C-N 3.25Å; Q86-G88 PolarHBondContact O-N 2.77Å
87E76.8Confident82.7Confident23 Ų2352.3 Ų52.311%0.10729%0.29CS..G310 helixtrans-83.9-2.5-179.2-68.9179.7158.900112.9D84 P85 A105 C107 K109 R111D84-E87 HydrophobicContact CB-CG 4.09Å; D84-E87 WeakPolarHBondContact O-CB 3.06Å; D84-E87 PolarHBondContact O-N 3.45Å; P85-E87 VanDerWaalsContact C-N 3.31Å; E87-A105 HydrophobicContact CB-CB 4.28Å; E87-C107 HydrophobicContact CB-CB 4.42Å; E87-C107 VanDerWaalsContact O-CB 3.28Å; E87-C107 WeakPolarHBondContact O-CB 3.43Å; E87-C107 PolarHBondContact O-N 3.43Å; E87-K109 WeakPolarHBondContact OE1-CD 2.96Å; E87-K109 WeakPolarHBondContact OE1-CE 3.3Å; E87-K109 IonicContact OE1-NZ 3.24Å; E87-K109 PolarHBondContact OE1-NZ 3.2Å; E87-R111 IonicContact OE1-CZ 3.73Å; E87-R111 IonicContact OE1-NH1 3.48Å; E87-R111 IonicContact OE1-NH2 3.2Å; E87-R111 PolarHBondContact OE1-NH2 2.84Å; E87-R111 IonicContact OE2-CZ 2.84Å; E87-R111 VanDerWaalsContact OE2-CZ 3.31Å; E87-R111 IonicContact OE2-NH1 3.6Å; E87-R111 PolarHBondContact OE2-NH1 3.14Å; E87-R111 IonicContact OE2-NH2 3.13Å; E87-R111 PolarHBondContact OE2-NH2 3.04Å
88G80.9Confident82.1Confident30 Ų3051.2 Ų51.231%0.30929%0.29SS..  trans89.6-173.8179.800000113.2Q86Q86-G88 VanDerWaalsContact C-N 3.25Å; Q86-G88 PolarHBondContact O-N 2.77Å
89C85.6Confident81.9Confident35 Ų3550.3 Ų50.324%0.23629%0.294CS..SBendtrans-74.7160.7-177.2-66.50000111.7R45 S91 E106R45-C89 HydrophobicContact CG-CB 4.4Å; C89-S91 PolarHBondContact O-N 2.75Å; C89-E106 WeakPolarHBondContact O-CG 3.38Å; C89-E106 PolarHBondContact O-N 2.78Å
90F88.3Confident81.9Confident6 Ų647 Ų473%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-67.4126.4170.1-68.2-56000111.6R45 C61 G64 V66 C82 T103 C104R45-F90 WeakPolarHBondContact CG-O 3.26Å; C61-F90 WeakPolarHBondContact O-CD2 3.45Å; C61-F90 WeakPolarHBondContact O-CE2 3.3Å; G64-F90 WeakPolarHBondContact O-CZ 3.34Å; V66-F90 HydrophobicContact CG2-CE2 4.08Å; V66-F90 HydrophobicContact CG2-CZ 4.13Å; C82-F90 HydrophobicContact CB-CZ 4.37Å; F90-T103 HydrophobicContact CE1-CG2 4.07Å; F90-T103 HydrophobicContact CZ-CG2 4.42Å; F90-C104 CarbonylContact C-O 3.57Å; F90-C104 WeakPolarHBondContact CA-O 3.45Å
91S86.9Confident82.2Confident4 Ų444.6 Ų44.63%0.02826%0.258CS..EExtended strand (participates in β ladder)trans-94-14174.765.90000112.5C89 C104 V130 R132 M133C89-S91 PolarHBondContact O-N 2.75Å; S91-C104 PolarHBondContact N-O 2.8Å; S91-C104 PolarHBondContact OG-O 3.32Å; S91-C104 PolarHBondContact OG-SG 3.38Å; S91-C104 VanDerWaalsContact OG-SG 3.33Å; S91-V130 WeakPolarHBondContact CB-O 3.46Å; S91-R132 WeakPolarHBondContact O-CA 3.28Å; S91-M133 PolarHBondContact O-N 3.13Å; S91-M133 VanDerWaalsContact O-N 3.17Å
92G87.3Confident82.5Confident2 Ų240.3 Ų40.32%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-170.3159.6172.500000113C104G92-C104 PolarHBondContact N-O 2.96Å; G92-C104 PolarHBondContact O-N 3.21Å; G92-C104 VanDerWaalsContact O-N 3.13Å
93L91.7Very high83.1Confident13 Ų1340.4 Ų40.47%0.06823%0.228CC..EExtended strand (participates in β ladder)trans-144.7135.5-179.9-175.468.3000108.5A46 C48 L58 V66 I101 I102 T103A46-L93 HydrophobicContact CB-CB 3.67Å; C48-L93 HydrophobicContact CB-CD2 4.48Å; C48-L93 HydrophobicContact CB-CG 4.37Å; L58-L93 HydrophobicContact CB-CD2 3.63Å; L58-L93 HydrophobicContact CB-CG 4.35Å; V66-L93 HydrophobicContact CG1-CD1 4.22Å; V66-L93 HydrophobicContact CG1-CD2 4.4Å; V66-L93 HydrophobicContact CG2-CD1 3.99Å; L93-I101 HydrophobicContact CD1-CG2 3.49Å; L93-I101 VanDerWaalsContact CD1-CG2 3.49Å; L93-I102 WeakPolarHBondContact CA-O 3.46Å; L93-T103 HydrophobicContact CD1-CG2 3.85Å
94A90.5Very high84.1Confident3 Ų340 Ų403%0.02522%0.224CC..EExtended strand (participates in β ladder)trans-148.1158.1175.400000111.8I102 M133 Q135A94-I102 HydrophobicContact CB-CB 4.31Å; A94-I102 HydrophobicContact CB-CD1 4.22Å; A94-I102 PolarHBondContact N-O 2.85Å; A94-I102 PolarHBondContact O-N 2.98Å; A94-M133 HydrophobicContact CB-CE 3.75Å; A94-Q135 HydrophobicContact CB-CB 3.79Å; A94-Q135 HydrophobicContact CB-CG 4.42Å
95S88.6Confident84.9Confident15 Ų1535.9 Ų35.911%0.10520%0.203CC..EExtended strand (participates in β ladder)trans-101.8135.1171.2179.10000110.4A50 G98 A100 Q135A50-S95 WeakPolarHBondContact O-CB 3.34Å; A50-S95 PolarHBondContact O-OG 2.94Å; S95-G98 PolarHBondContact OG-N 2.87Å; S95-A100 CarbonylContact C-O 3.55Å; S95-A100 WeakPolarHBondContact CA-O 3.22Å; S95-Q135 PolarHBondContact O-NE2 3.05Å; S95-Q135 PolarHBondContact O-OE1 2.8Å; S95-Q135 VanDerWaalsContact O-OE1 3.05Å
96L84Confident85.7Confident27 Ų2734.6 Ų34.614%0.14119%0.189CC..EExtended strand (participates in β ladder)trans-105.1100.9175.8-178.168.7000108.7G98 S99 A100 I102 V112 P140 L157L96-G98 PolarHBondContact O-N 3.24Å; L96-G98 VanDerWaalsContact O-N 3.12Å; L96-S99 PolarHBondContact O-N 3.31Å; L96-A100 HydrophobicContact CB-CB 4Å; L96-A100 HydrophobicContact CD2-CB 4.29Å; L96-A100 PolarHBondContact N-O 2.84Å; L96-A100 PolarHBondContact O-N 3.24Å; L96-I102 HydrophobicContact CB-CD1 4.01Å; L96-I102 HydrophobicContact CB-CG1 4.29Å; L96-V112 HydrophobicContact CD2-CG1 4.3Å; L96-P140 HydrophobicContact CD1-CB 3.94Å; L96-P140 WeakPolarHBondContact CD1-O 3.05Å; L96-L157 HydrophobicContact CD1-CD1 4.29Å; L96-L157 HydrophobicContact CD2-CD1 4.3Å
97R76.8Confident86.4Confident177 Ų17727.7 Ų27.767%0.66816%0.161SC*.THydrogen-bonded Turntrans52.133.6176.8-55.6-173.5-179.2168.63.9113.6S99 P140R97-S99 PolarHBondContact O-N 3.02Å; R97-S99 VanDerWaalsContact O-N 3.07Å; R97-P140 HydrophobicContact CG-CB 4.37Å
98G73.8Confident86.9Confident33 Ų3326.6 Ų26.634%0.3416%0.156SC..THydrogen-bonded Turntrans71.4-5.2176.300000116.2S95 L96S95-G98 PolarHBondContact OG-N 2.87Å; L96-G98 PolarHBondContact O-N 3.24Å; L96-G98 VanDerWaalsContact O-N 3.12Å
99S80.1Confident87.4Confident69 Ų6928.6 Ų28.648%0.48316%0.156SC..THydrogen-bonded Turntrans-116.4-10.9-175.152.10000114.1L96 R97 E115L96-S99 PolarHBondContact O-N 3.31Å; R97-S99 PolarHBondContact O-N 3.02Å; R97-S99 VanDerWaalsContact O-N 3.07Å; S99-E115 PolarHBondContact O-N 3Å
100A87.4Confident87.6Confident4 Ų427 Ų273%0.03315%0.145CC..EExtended strand (participates in β ladder)trans-137.4150.5178.300000111.6S95 L96 V112 W113 R114S95-A100 CarbonylContact C-O 3.55Å; S95-A100 WeakPolarHBondContact CA-O 3.22Å; L96-A100 HydrophobicContact CB-CB 4Å; L96-A100 HydrophobicContact CD2-CB 4.29Å; L96-A100 PolarHBondContact N-O 2.84Å; L96-A100 PolarHBondContact O-N 3.24Å; A100-V112 HydrophobicContact CB-CG1 4.2Å; A100-W113 CarbonylContact C-O 3.59Å; A100-W113 WeakPolarHBondContact CA-O 3.17Å; A100-W113 WeakPolarHBondContact CB-O 3.16Å; A100-R114 HydrophobicContact CB-CG 4.1Å
101I90.3Very high87.7Confident5 Ų527.7 Ų27.73%0.02615%0.148CC..EExtended strand (participates in β ladder)trans-110.8135.2175.7-60.2-173.1000108.8L58 V66 L93 T103 V112 W113L58-I101 HydrophobicContact CD1-CD1 3.73Å; L58-I101 HydrophobicContact CD1-CG1 3.85Å; L58-I101 HydrophobicContact CD1-CG2 4.44Å; L58-I101 HydrophobicContact CD2-CD1 3.68Å; L58-I101 HydrophobicContact CG-CD1 4.3Å; V66-I101 HydrophobicContact CG1-CD1 3.99Å; L93-I101 HydrophobicContact CD1-CG2 3.49Å; L93-I101 VanDerWaalsContact CD1-CG2 3.49Å; I101-T103 HydrophobicContact CG2-CG2 3.94Å; I101-V112 CarbonylContact O-C 3.57Å; I101-V112 WeakPolarHBondContact O-CA 3.41Å; I101-W113 HydrophobicContact CB-CB 4.49Å; I101-W113 PolarHBondContact N-O 2.8Å; I101-W113 PolarHBondContact O-N 3.18Å
102I91.6Very high87.9Confident0 Ų028 Ų280%015%0.149CC..EExtended strand (participates in β ladder)trans-103.4120.5171.1-56.7153.4000107.6L93 A94 L96 L110 R111 V112 M133 V143 L157L93-I102 WeakPolarHBondContact CA-O 3.46Å; A94-I102 HydrophobicContact CB-CB 4.31Å; A94-I102 HydrophobicContact CB-CD1 4.22Å; A94-I102 PolarHBondContact N-O 2.85Å; A94-I102 PolarHBondContact O-N 2.98Å; L96-I102 HydrophobicContact CB-CD1 4.01Å; L96-I102 HydrophobicContact CB-CG1 4.29Å; I102-L110 HydrophobicContact CG2-CD1 4.36Å; I102-L110 HydrophobicContact CG2-CD2 3.76Å; I102-L110 HydrophobicContact CG2-CG 4.02Å; I102-R111 WeakPolarHBondContact CA-O 3.44Å; I102-V112 HydrophobicContact CG1-CG2 4.37Å; I102-M133 HydrophobicContact CG2-CE 4.14Å; I102-V143 HydrophobicContact CD1-CG2 4.13Å; I102-L157 HydrophobicContact CD1-CD1 3.43Å; I102-L157 VanDerWaalsContact CD1-CD1 3.43Å; I102-L157 HydrophobicContact CG1-CD1 3.92Å
103T91.8Very high88Confident4 Ų429 Ų293%0.02515%0.153CC..EExtended strand (participates in β ladder)trans-111.6145.5172.164.60000110V66 C82 F90 L93 I101 L110 R111 W113V66-T103 HydrophobicContact CG2-CG2 3.86Å; C82-T103 HydrophobicContact CB-CG2 3.89Å; C82-T103 PolarHBondContact O-OG1 3.08Å; F90-T103 HydrophobicContact CE1-CG2 4.07Å; F90-T103 HydrophobicContact CZ-CG2 4.42Å; L93-T103 HydrophobicContact CD1-CG2 3.85Å; I101-T103 HydrophobicContact CG2-CG2 3.94Å; T103-L110 CarbonylContact O-C 3.51Å; T103-L110 VanDerWaalsContact O-CA 3.32Å; T103-L110 WeakPolarHBondContact O-CA 3.36Å; T103-R111 PolarHBondContact N-O 3.23Å; T103-R111 PolarHBondContact O-N 2.79Å; T103-W113 PolarHBondContact OG1-NE1 3.09Å
104C91.9Very high87.7Confident0 Ų035.3 Ų35.30%018%0.175CC..EExtended strand (participates in β ladder)trans-131.2126.6171.6-1720000109.4F90 S91 G92 L110 M133F90-C104 CarbonylContact C-O 3.57Å; F90-C104 WeakPolarHBondContact CA-O 3.45Å; S91-C104 PolarHBondContact N-O 2.8Å; S91-C104 PolarHBondContact OG-O 3.32Å; S91-C104 PolarHBondContact OG-SG 3.38Å; S91-C104 VanDerWaalsContact OG-SG 3.33Å; G92-C104 PolarHBondContact N-O 2.96Å; G92-C104 PolarHBondContact O-N 3.21Å; G92-C104 VanDerWaalsContact O-N 3.13Å; C104-L110 HydrophobicContact CB-CD1 4.48Å; C104-L110 HydrophobicContact CB-CG 4.45Å; C104-M133 HydrophobicContact CB-CB 3.58Å; C104-M133 HydrophobicContact CB-CG 3.86Å; C104-M133 HydrophobicContact CB-SD 4.47Å
105A91.8Very high86.7Confident7 Ų740.6 Ų40.66%0.05820%0.2CC..EExtended strand (participates in β ladder)trans-94.1159.5176.300000111.4E87 C107 G108 K109E87-A105 HydrophobicContact CB-CB 4.28Å; A105-C107 PolarHBondContact O-N 3.49Å; A105-G108 PolarHBondContact O-N 2.64Å; A105-G108 VanDerWaalsContact O-N 3.07Å; A105-K109 PolarHBondContact N-O 2.92Å
106E90.3Very high85.7Confident74 Ų7447.7 Ų47.735%0.34624%0.236SC..THydrogen-bonded Turntrans-61-27.9175.9-79.7173.2176.600113.1C89 G108 S129 V130C89-E106 WeakPolarHBondContact O-CG 3.38Å; C89-E106 PolarHBondContact O-N 2.78Å; E106-G108 PolarHBondContact O-N 2.77Å; E106-S129 CarbonylContact O-C 3.52Å; E106-S129 WeakPolarHBondContact O-CA 3.32Å; E106-S129 PolarHBondContact O-N 2.75Å; E106-V130 PolarHBondContact O-N 2.87Å
107C89.1Confident84.6Confident50 Ų5048.2 Ų48.234%0.33825%0.249SC..THydrogen-bonded Turntrans-64.4-16.3174.569.70000113.8E87 A105E87-C107 HydrophobicContact CB-CB 4.42Å; E87-C107 VanDerWaalsContact O-CB 3.28Å; E87-C107 WeakPolarHBondContact O-CB 3.43Å; E87-C107 PolarHBondContact O-N 3.43Å; A105-C107 PolarHBondContact O-N 3.49Å
108G87.3Confident83.9Confident0 Ų046.3 Ų46.30%026%0.262CS..SBendtrans104.4-8.4-179.400000114.9A105 E106 L110 A126 G127A105-G108 PolarHBondContact O-N 2.64Å; A105-G108 VanDerWaalsContact O-N 3.07Å; E106-G108 PolarHBondContact O-N 2.77Å; G108-L110 PolarHBondContact O-N 2.92Å; G108-A126 WeakPolarHBondContact O-CB 3.05Å; G108-A126 PolarHBondContact O-N 3.1Å; G108-G127 WeakPolarHBondContact CA-O 3.29Å
109K90.5Very high83.9Confident72 Ų7246.1 Ų46.131%0.31326%0.26SS..EExtended strand (participates in β ladder)trans-71.8121176-67.5-178.1179.5-174.70110.4E87 A105 E123E87-K109 WeakPolarHBondContact OE1-CD 2.96Å; E87-K109 WeakPolarHBondContact OE1-CE 3.3Å; E87-K109 IonicContact OE1-NZ 3.24Å; E87-K109 PolarHBondContact OE1-NZ 3.2Å; A105-K109 PolarHBondContact N-O 2.92Å; K109-E123 WeakPolarHBondContact CD-OE1 3.06Å; K109-E123 IonicContact NZ-OE1 2.7Å
110L90.4Very high84Confident1 Ų145.4 Ų45.41%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-108.2123.1172.6-173.5154.1000108I102 T103 C104 G108 V112 E123 L124 M133 V143 T145 L157I102-L110 HydrophobicContact CG2-CD1 4.36Å; I102-L110 HydrophobicContact CG2-CD2 3.76Å; I102-L110 HydrophobicContact CG2-CG 4.02Å; T103-L110 CarbonylContact O-C 3.51Å; T103-L110 VanDerWaalsContact O-CA 3.32Å; T103-L110 WeakPolarHBondContact O-CA 3.36Å; C104-L110 HydrophobicContact CB-CD1 4.48Å; C104-L110 HydrophobicContact CB-CG 4.45Å; G108-L110 PolarHBondContact O-N 2.92Å; L110-V112 HydrophobicContact CD2-CG2 4.49Å; L110-E123 CarbonylContact O-C 3.47Å; L110-E123 WeakPolarHBondContact O-CA 3.48Å; L110-L124 HydrophobicContact CB-CB 4.3Å; L110-L124 HydrophobicContact CD2-CD1 3.83Å; L110-L124 PolarHBondContact N-O 2.89Å; L110-L124 PolarHBondContact O-N 3.09Å; L110-M133 HydrophobicContact CD1-CG 4.18Å; L110-V143 HydrophobicContact CD1-CB 4.44Å; L110-V143 HydrophobicContact CD1-CG1 3.67Å; L110-T145 HydrophobicContact CD1-CG2 3.96Å; L110-L157 HydrophobicContact CD2-CD2 3.81Å
111R90.8Very high83.8Confident21 Ų2148.7 Ų48.78%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-121.8139.8-175.6-71.2-179.1178.4133.36.2110.9E87 I102 T103 W113 P120 A122 E123E87-R111 IonicContact OE1-CZ 3.73Å; E87-R111 IonicContact OE1-NH1 3.48Å; E87-R111 IonicContact OE1-NH2 3.2Å; E87-R111 PolarHBondContact OE1-NH2 2.84Å; E87-R111 IonicContact OE2-CZ 2.84Å; E87-R111 VanDerWaalsContact OE2-CZ 3.31Å; E87-R111 IonicContact OE2-NH1 3.6Å; E87-R111 PolarHBondContact OE2-NH1 3.14Å; E87-R111 IonicContact OE2-NH2 3.13Å; E87-R111 PolarHBondContact OE2-NH2 3.04Å; I102-R111 WeakPolarHBondContact CA-O 3.44Å; T103-R111 PolarHBondContact N-O 3.23Å; T103-R111 PolarHBondContact O-N 2.79Å; R111-W113 HydrophobicContact CB-CZ2 4.06Å; R111-W113 VanDerWaalsContact CD-CZ2 3.42Å; R111-W113 HydrophobicContact CG-CZ2 4.4Å; R111-P120 HydrophobicContact CB-CB 4.04Å; R111-P120 HydrophobicContact CG-CB 4.09Å; R111-A122 WeakPolarHBondContact CA-O 3.5Å; R111-E123 HydrophobicContact CG-CB 4.37Å; R111-E123 HydrophobicContact CG-CG 4.11Å; R111-E123 IonicContact CZ-OE2 2.71Å; R111-E123 IonicContact NE-OE2 3.38Å; R111-E123 PolarHBondContact NE-OE2 3.34Å; R111-E123 IonicContact NH2-OE2 3.63Å; R111-E123 PolarHBondContact NH2-OE2 2.83Å
112V90.8Very high83.6Confident11 Ų1149.7 Ų49.77%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-107.7121.6173.4-173.90000108.4L96 A100 I101 I102 L110 P120 V121 A122 L157L96-V112 HydrophobicContact CD2-CG1 4.3Å; A100-V112 HydrophobicContact CB-CG1 4.2Å; I101-V112 CarbonylContact O-C 3.57Å; I101-V112 WeakPolarHBondContact O-CA 3.41Å; I102-V112 HydrophobicContact CG1-CG2 4.37Å; L110-V112 HydrophobicContact CD2-CG2 4.49Å; V112-P120 CarbonylContact O-C 3.51Å; V112-P120 WeakPolarHBondContact O-CA 3.43Å; V112-V121 PolarHBondContact O-N 2.83Å; V112-A122 HydrophobicContact CB-CB 4.19Å; V112-A122 HydrophobicContact CG2-CB 4.17Å; V112-A122 PolarHBondContact N-O 3.16Å; V112-L157 HydrophobicContact CG2-CD1 4.46Å; V112-L157 HydrophobicContact CG2-CD2 3.88Å
113W88.6Confident83.4Confident23 Ų2354.3 Ų54.39%0.08730%0.304CS..EExtended strand (participates in β ladder)trans-111.6129.2-177.3-55.786.7000108.8C82 A100 I101 T103 R111 P120C82-W113 VanDerWaalsContact CA-CZ2 3.47Å; C82-W113 HydrophobicContact CB-CD2 4.17Å; C82-W113 HydrophobicContact CB-CG 4.47Å; C82-W113 HydrophobicContact CB-CZ2 4Å; C82-W113 WeakPolarHBondContact O-CZ2 3.14Å; A100-W113 CarbonylContact C-O 3.59Å; A100-W113 WeakPolarHBondContact CA-O 3.17Å; A100-W113 WeakPolarHBondContact CB-O 3.16Å; I101-W113 HydrophobicContact CB-CB 4.49Å; I101-W113 PolarHBondContact N-O 2.8Å; I101-W113 PolarHBondContact O-N 3.18Å; T103-W113 PolarHBondContact OG1-NE1 3.09Å; R111-W113 HydrophobicContact CB-CZ2 4.06Å; R111-W113 VanDerWaalsContact CD-CZ2 3.42Å; R111-W113 HydrophobicContact CG-CZ2 4.4Å; W113-P120 HydrophobicContact CD2-CB 4.36Å; W113-P120 HydrophobicContact CE3-CB 4.35Å; W113-P120 HydrophobicContact CH2-CB 4.22Å; W113-P120 HydrophobicContact CH2-CG 4.25Å; W113-P120 HydrophobicContact CZ2-CB 4.21Å; W113-P120 HydrophobicContact CZ3-CB 4.29Å; W113-P120 HydrophobicContact CZ3-CG 4.46Å
114R85.4Confident83.3Confident145 Ų14554.4 Ų54.455%0.54731%0.305SS..EExtended strand (participates in β ladder)trans-96.9158.4168.5-78-175.6-160.1150.74110.2A100 D116 V121A100-R114 HydrophobicContact CB-CG 4.1Å; R114-D116 VanDerWaalsContact C-N 3.27Å; R114-D116 PolarHBondContact O-N 2.82Å; R114-V121 HydrophobicContact CB-CG2 3.92Å; R114-V121 HydrophobicContact CG-CG2 3.79Å
115E70.3Confident83.2Confident114 Ų11459.8 Ų59.853%0.53333%0.333SS..THydrogen-bonded Turntrans-57.1-37.8178.6-140.1171170.900113.3S99 G117S99-E115 PolarHBondContact O-N 3Å; E115-G117 PolarHBondContact O-N 2.81Å
116D66.8Low82.9Confident164 Ų16459.5 Ų59.588%0.87733%0.331SS*.THydrogen-bonded Turntrans-89.30.5-170.5-53-41.7000115.4R114R114-D116 VanDerWaalsContact C-N 3.27Å; R114-D116 PolarHBondContact O-N 2.82Å
117G60.8Low82.7Confident39 Ų3956.8 Ų56.840%0.40232%0.323SS..  trans-118.5137.2-169.400000114E115 G119E115-G117 PolarHBondContact O-N 2.81Å; G117-G119 PolarHBondContact O-N 2.84Å
118S62.7Low82.6Confident136 Ų13658.6 Ų58.695%0.95134%0.336SS*.SBendtrans-74.3-5.6172.367.30000113.9
119G74.4Confident82.7Confident29 Ų2961.6 Ų61.630%0.29936%0.357SS..SBendtrans-137.6165.8-174.900000113.3G117G117-G119 PolarHBondContact O-N 2.84Å
120P80.6Confident82.8Confident54 Ų5458.2 Ų58.235%0.35134%0.342SS..EExtended strand (participates in β ladder)trans-69.1132.817829.6-33.4000110.2R111 V112 W113R111-P120 HydrophobicContact CB-CB 4.04Å; R111-P120 HydrophobicContact CG-CB 4.09Å; V112-P120 CarbonylContact O-C 3.51Å; V112-P120 WeakPolarHBondContact O-CA 3.43Å; W113-P120 HydrophobicContact CD2-CB 4.36Å; W113-P120 HydrophobicContact CE3-CB 4.35Å; W113-P120 HydrophobicContact CH2-CB 4.22Å; W113-P120 HydrophobicContact CH2-CG 4.25Å; W113-P120 HydrophobicContact CZ2-CB 4.21Å; W113-P120 HydrophobicContact CZ3-CB 4.29Å; W113-P120 HydrophobicContact CZ3-CG 4.46Å
121V84.7Confident82.9Confident73 Ų7359.4 Ų59.444%0.44235%0.351SS..EExtended strand (participates in β ladder)trans-75.1-31.5176.8179.50000111.3V112 R114V112-V121 PolarHBondContact O-N 2.83Å; R114-V121 HydrophobicContact CB-CG2 3.92Å; R114-V121 HydrophobicContact CG-CG2 3.79Å
122A84.5Confident83Confident26 Ų2661 Ų6122%0.21536%0.357CS..EExtended strand (participates in β ladder)trans-142.7142.8173.900000109.8R111 V112 L124R111-A122 WeakPolarHBondContact CA-O 3.5Å; V112-A122 HydrophobicContact CB-CB 4.19Å; V112-A122 HydrophobicContact CG2-CB 4.17Å; V112-A122 PolarHBondContact N-O 3.16Å; A122-L124 HydrophobicContact CB-CD1 4.27Å
123E88.4Confident83.2Confident97 Ų9760.6 Ų60.645%0.45335%0.354SS..EExtended strand (participates in β ladder)trans-125.6131.7170.9-175.5165.9138.300108.4K109 L110 R111K109-E123 WeakPolarHBondContact CD-OE1 3.06Å; K109-E123 IonicContact NZ-OE1 2.7Å; L110-E123 CarbonylContact O-C 3.47Å; L110-E123 WeakPolarHBondContact O-CA 3.48Å; R111-E123 HydrophobicContact CG-CB 4.37Å; R111-E123 HydrophobicContact CG-CG 4.11Å; R111-E123 IonicContact CZ-OE2 2.71Å; R111-E123 IonicContact NE-OE2 3.38Å; R111-E123 PolarHBondContact NE-OE2 3.34Å; R111-E123 IonicContact NH2-OE2 3.63Å; R111-E123 PolarHBondContact NH2-OE2 2.83Å
124L89.6Confident83.4Confident7 Ų763.2 Ų63.24%0.03736%0.364CS..EExtended strand (participates in β ladder)trans-126.9142.3179-62.689.6000109.1L110 A122 W155 L157 P160L110-L124 HydrophobicContact CB-CB 4.3Å; L110-L124 HydrophobicContact CD2-CD1 3.83Å; L110-L124 PolarHBondContact N-O 2.89Å; L110-L124 PolarHBondContact O-N 3.09Å; A122-L124 HydrophobicContact CB-CD1 4.27Å; L124-W155 HydrophobicContact CD2-CB 4.42Å; L124-W155 HydrophobicContact CD2-CD2 4.39Å; L124-W155 HydrophobicContact CD2-CE3 3.9Å; L124-L157 HydrophobicContact CD1-CD2 4.21Å; L124-P160 HydrophobicContact CD1-CB 4.03Å; L124-P160 HydrophobicContact CD2-CB 3.49Å; L124-P160 VanDerWaalsContact CD2-CB 3.49Å; L124-P160 HydrophobicContact CG-CB 3.56Å
125D90.1Very high83.7Confident112 Ų11258.5 Ų58.560%0.59935%0.348SS*.EExtended strand (participates in β ladder)trans-101.2104.2174.5-172.5-3.8000110.6G127 W155D125-G127 PolarHBondContact O-N 3.09Å; D125-G127 WeakPolarHBondContact OD1-CA 3.4Å; D125-G127 PolarHBondContact OD1-N 2.86Å; D125-W155 WeakPolarHBondContact O-CH2 3.01Å; D125-W155 WeakPolarHBondContact O-CZ2 3.19Å
126A85.9Confident84.7Confident1 Ų153.6 Ų53.61%0.00833%0.327CS..  trans-78.3-3.8176.900000113.4G108 V130 T145 N150 K153 W155G108-A126 WeakPolarHBondContact O-CB 3.05Å; G108-A126 PolarHBondContact O-N 3.1Å; A126-V130 HydrophobicContact CB-CG2 4.04Å; A126-T145 HydrophobicContact CB-CG2 3.89Å; A126-N150 PolarHBondContact O-ND2 3.19Å; A126-K153 PolarHBondContact O-NZ 3.43Å; A126-W155 HydrophobicContact CB-CZ2 4.39Å
127G85.2Confident85.5Confident17 Ų1750.2 Ų50.218%0.17531%0.314CS..  trans88.1165.4-172.500000112.7G108 D125 V130 N150G108-G127 WeakPolarHBondContact CA-O 3.29Å; D125-G127 PolarHBondContact O-N 3.09Å; D125-G127 WeakPolarHBondContact OD1-CA 3.4Å; D125-G127 PolarHBondContact OD1-N 2.86Å; G127-V130 WeakPolarHBondContact O-CG2 3.1Å; G127-N150 PolarHBondContact O-ND2 2.83Å
128S86.1Confident86.6Confident88 Ų8852.7 Ų52.762%0.61532%0.32SS*.SBendtrans-67.3157.5-170.760.30000114.4V130 N150S128-V130 PolarHBondContact O-N 2.64Å; S128-N150 PolarHBondContact O-ND2 3.43Å
129S89.8Confident87.8Confident63 Ų6349 Ų4944%0.44129%0.29SS..  trans58.643.3171.2-55.70000115.1E106 C131 G147 K148E106-S129 CarbonylContact O-C 3.52Å; E106-S129 WeakPolarHBondContact O-CA 3.32Å; E106-S129 PolarHBondContact O-N 2.75Å; S129-C131 PolarHBondContact O-N 3.4Å; S129-G147 WeakPolarHBondContact O-CA 3.29Å; S129-K148 PolarHBondContact O-N 3.46Å; S129-K148 VanDerWaalsContact O-N 3.09Å
130V92.5Very high88.3Confident1 Ų149.8 Ų49.81%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-67.1122.3175.5179.50000109.5S91 E106 A126 G127 S128S91-V130 WeakPolarHBondContact CB-O 3.46Å; E106-V130 PolarHBondContact O-N 2.87Å; A126-V130 HydrophobicContact CB-CG2 4.04Å; G127-V130 WeakPolarHBondContact O-CG2 3.1Å; S128-V130 PolarHBondContact O-N 2.64Å
131C92.3Very high88.7Confident27 Ų2748.6 Ų48.618%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-92.3-31.1178.8-71.70000112.2S129 G146 W182 V183S129-C131 PolarHBondContact O-N 3.4Å; C131-G146 PolarHBondContact N-O 2.89Å; C131-W182 PolarHBondContact SG-NE1 3.23Å; C131-V183 VanDerWaalsContact CB-O 3.28Å; C131-V183 WeakPolarHBondContact CB-O 3.39Å
132R93.4Very high89Confident53 Ų5348.3 Ų48.320%0.227%0.272CS..EExtended strand (participates in β ladder)trans-149.8141.1-178.9-157.678.1-179.3173.91.9112.3S91 R134 G146 D185S91-R132 WeakPolarHBondContact O-CA 3.28Å; R132-R134 HydrophobicContact CG-CG 4.34Å; R132-G146 PolarHBondContact N-O 3.48Å; R132-G146 PolarHBondContact O-N 3.36Å; R132-D185 WeakPolarHBondContact CG-OD1 3.07Å; R132-D185 IonicContact NE-OD1 2.8Å; R132-D185 PolarHBondContact NE-OD1 2.79Å
133M94.4Very high89.4Confident4 Ų447 Ų472%0.0226%0.261CS..EExtended strand (participates in β ladder)trans-121.9141.3164.3167.7-85.8155.800110.3S91 A94 I102 C104 L110 Q135 V143 A144 T145S91-M133 PolarHBondContact O-N 3.13Å; S91-M133 VanDerWaalsContact O-N 3.17Å; A94-M133 HydrophobicContact CB-CE 3.75Å; I102-M133 HydrophobicContact CG2-CE 4.14Å; C104-M133 HydrophobicContact CB-CB 3.58Å; C104-M133 HydrophobicContact CB-CG 3.86Å; C104-M133 HydrophobicContact CB-SD 4.47Å; L110-M133 HydrophobicContact CD1-CG 4.18Å; M133-Q135 HydrophobicContact CE-CB 4.06Å; M133-V143 HydrophobicContact CE-CB 4.17Å; M133-V143 HydrophobicContact CE-CG1 3.32Å; M133-V143 HydrophobicContact CE-CG2 3.79Å; M133-V143 HydrophobicContact CG-CG1 3.42Å; M133-V143 VanDerWaalsContact CG-CG1 3.42Å; M133-V143 HydrophobicContact SD-CG1 4.18Å; M133-A144 CarbonylContact C-O 3.56Å; M133-A144 VanDerWaalsContact CA-O 3.29Å; M133-A144 WeakPolarHBondContact CA-O 3.48Å; M133-T145 HydrophobicContact CB-CG2 4.24Å; M133-T145 HydrophobicContact CG-CG2 4.23Å
134R93.5Very high89.7Confident78 Ų7842.4 Ų42.429%0.29424%0.24SC..EExtended strand (participates in β ladder)trans-140.1140.5176.7-66.8-76.5-167.1170.74.3109.8R132 A144 D185 I186 F188R132-R134 HydrophobicContact CG-CG 4.34Å; R134-A144 PolarHBondContact N-O 3.09Å; R134-A144 PolarHBondContact O-N 2.72Å; R134-D185 IonicContact CZ-OD1 3.36Å; R134-D185 IonicContact NE-OD1 3.15Å; R134-D185 PolarHBondContact NE-OD1 3.32Å; R134-D185 VanDerWaalsContact NE-OD1 3.16Å; R134-D185 IonicContact NH2-OD1 2.75Å; R134-D185 PolarHBondContact NH2-OD1 3.33Å; R134-D185 VanDerWaalsContact NH2-OD1 3.13Å; R134-D185 IonicContact NH2-OD2 2.68Å; R134-D185 PolarHBondContact NH2-OD2 3.47Å; R134-I186 HydrophobicContact CG-CB 4.12Å; R134-I186 WeakPolarHBondContact CG-O 3.27Å; R134-I186 PolarHBondContact NE-O 2.57Å; R134-F188 HydrophobicContact CB-CD2 4.47Å; R134-F188 HydrophobicContact CB-CE2 4.26Å; R134-F188 WeakPolarHBondContact O-CE2 3.1Å
135Q92.4Very high90Very high46 Ų4642.1 Ų42.122%0.21524%0.238CC..EExtended strand (participates in β ladder)trans-87.9149.8172.5-170.5-176.630.100109.7A94 S95 M133 P140 F188A94-Q135 HydrophobicContact CB-CB 3.79Å; A94-Q135 HydrophobicContact CB-CG 4.42Å; S95-Q135 PolarHBondContact O-NE2 3.05Å; S95-Q135 PolarHBondContact O-OE1 2.8Å; S95-Q135 VanDerWaalsContact O-OE1 3.05Å; M133-Q135 HydrophobicContact CE-CB 4.06Å; Q135-P140 PolarHBondContact NE2-O 3.27Å; Q135-F188 WeakPolarHBondContact O-CD2 3.32Å
136S90Very high90.1Very high11 Ų1136.8 Ų36.88%0.07721%0.21CC..  trans-70.1131.7171.2175.70000110.1V138 D139 R142S136-V138 PolarHBondContact O-N 3Å; S136-V138 PolarHBondContact OG-N 3.14Å; S136-D139 WeakPolarHBondContact CB-O 3.19Å; S136-D139 PolarHBondContact OG-N 3.22Å; S136-R142 PolarHBondContact N-O 2.77Å
137P84.5Confident90.5Very high93 Ų9336.7 Ų36.760%0.60421%0.209SC*.SBendtrans-71.7-21.1175.129.7-33.8000112.5F188P137-F188 VanDerWaalsContact CD-CB 3.44Å; P137-F188 HydrophobicContact CG-CB 4.2Å
138V84.6Confident90.8Very high90 Ų9041 Ų4155%0.54522%0.223SC..SBendtrans-88-43.5-179.8-178.10000110.9S136S136-V138 PolarHBondContact O-N 3Å; S136-V138 PolarHBondContact OG-N 3.14Å
139D86.6Confident91Very high58 Ų5840.6 Ų40.631%0.3121%0.211SC..  trans-121.1101-176.8-70.9-33.3000110.4S136 N141 R142S136-D139 WeakPolarHBondContact CB-O 3.19Å; S136-D139 PolarHBondContact OG-N 3.22Å; D139-N141 PolarHBondContact O-N 3.16Å; D139-R142 HydrophobicContact CB-CB 4.13Å; D139-R142 HydrophobicContact CB-CG 3.91Å; D139-R142 PolarHBondContact O-N 3.35Å; D139-R142 IonicContact OD2-CZ 3.77Å; D139-R142 IonicContact OD2-NE 3.53Å; D139-R142 PolarHBondContact OD2-NE 3.18Å; D139-R142 IonicContact OD2-NH2 3.83Å
140P85.9Confident90.9Very high46 Ų4638 Ų3830%0.29919%0.193SC..THydrogen-bonded Turntrans-58.9-23.7-177.8-26.534.7000114.2L96 R97 Q135 R142L96-P140 HydrophobicContact CD1-CB 3.94Å; L96-P140 WeakPolarHBondContact CD1-O 3.05Å; R97-P140 HydrophobicContact CG-CB 4.37Å; Q135-P140 PolarHBondContact NE2-O 3.27Å; P140-R142 VanDerWaalsContact C-N 3.31Å
141N88.3Confident90.8Very high29 Ų2938.6 Ų38.616%0.15520%0.199CC..THydrogen-bonded Turntrans-79.1-13.7179-64-19.3000113.1D139 L157 E158D139-N141 PolarHBondContact O-N 3.16Å; N141-L157 WeakPolarHBondContact O-CB 3.19Å; N141-L157 VanDerWaalsContact O-CG 3.26Å; N141-L157 WeakPolarHBondContact O-CG 3.2Å; N141-L157 PolarHBondContact O-N 2.61Å; N141-E158 HydrophobicContact CB-CG 4.47Å; N141-E158 PolarHBondContact ND2-OE1 3.29Å
142R91.1Very high90.9Very high67 Ų6737.4 Ų37.425%0.25319%0.19SC..EExtended strand (participates in β ladder)trans-96.5131.4-178.5-67.2-171.5-174.6-176.114.5111.1S136 D139 P140 W155 L164 E193S136-R142 PolarHBondContact N-O 2.77Å; D139-R142 HydrophobicContact CB-CB 4.13Å; D139-R142 HydrophobicContact CB-CG 3.91Å; D139-R142 PolarHBondContact O-N 3.35Å; D139-R142 IonicContact OD2-CZ 3.77Å; D139-R142 IonicContact OD2-NE 3.53Å; D139-R142 PolarHBondContact OD2-NE 3.18Å; D139-R142 IonicContact OD2-NH2 3.83Å; P140-R142 VanDerWaalsContact C-N 3.31Å; R142-W155 WeakPolarHBondContact CA-O 3.13Å; R142-L164 HydrophobicContact CG-CD1 4.43Å; R142-E193 IonicContact CZ-OE1 3.24Å; R142-E193 IonicContact NH1-OE1 3.88Å; R142-E193 PolarHBondContact NH1-OE1 3Å; R142-E193 IonicContact NH2-OE1 2.85Å; R142-E193 PolarHBondContact NH2-OE1 2.78Å; R142-E193 VanDerWaalsContact NH2-OE1 3.15Å
143V93.2Very high90.9Very high0 Ų036.8 Ų36.80%019%0.189CC..EExtended strand (participates in β ladder)trans-129.2132.5179.4173.70000110.4I102 L110 M133 T145 I154 W155 L157I102-V143 HydrophobicContact CD1-CG2 4.13Å; L110-V143 HydrophobicContact CD1-CB 4.44Å; L110-V143 HydrophobicContact CD1-CG1 3.67Å; M133-V143 HydrophobicContact CE-CB 4.17Å; M133-V143 HydrophobicContact CE-CG1 3.32Å; M133-V143 HydrophobicContact CE-CG2 3.79Å; M133-V143 HydrophobicContact CG-CG1 3.42Å; M133-V143 VanDerWaalsContact CG-CG1 3.42Å; M133-V143 HydrophobicContact SD-CG1 4.18Å; V143-T145 HydrophobicContact CG1-CG2 4.3Å; V143-I154 CarbonylContact O-C 3.57Å; V143-I154 WeakPolarHBondContact O-CA 3.48Å; V143-W155 PolarHBondContact N-O 3.05Å; V143-W155 PolarHBondContact O-N 2.94Å; V143-L157 HydrophobicContact CG2-CD1 3.96Å; V143-L157 HydrophobicContact CG2-CD2 4.34Å; V143-L157 HydrophobicContact CG2-CG 4.2Å
144A94.4Very high90.9Very high0 Ų036.8 Ų36.80%019%0.189CC..EExtended strand (participates in β ladder)trans-100.3139.1170.200000111.4M133 R134 L152 K153 I186 F188M133-A144 CarbonylContact C-O 3.56Å; M133-A144 VanDerWaalsContact CA-O 3.29Å; M133-A144 WeakPolarHBondContact CA-O 3.48Å; R134-A144 PolarHBondContact N-O 3.09Å; R134-A144 PolarHBondContact O-N 2.72Å; A144-L152 HydrophobicContact CB-CD1 3.83Å; A144-K153 CarbonylContact C-O 3.59Å; A144-K153 VanDerWaalsContact CA-O 3.3Å; A144-K153 WeakPolarHBondContact CA-O 3.32Å; A144-I186 HydrophobicContact CB-CD1 4.34Å; A144-I186 HydrophobicContact CB-CG2 3.83Å; A144-F188 HydrophobicContact CB-CE1 4.34Å; A144-F188 HydrophobicContact CB-CE2 3.55Å; A144-F188 HydrophobicContact CB-CZ 3.33Å
145T94.9Very high90.8Very high0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-129146.9175.959.90000109.9L110 A126 M133 V143 K153 W155 I186L110-T145 HydrophobicContact CD1-CG2 3.96Å; A126-T145 HydrophobicContact CB-CG2 3.89Å; M133-T145 HydrophobicContact CB-CG2 4.24Å; M133-T145 HydrophobicContact CG-CG2 4.23Å; V143-T145 HydrophobicContact CG1-CG2 4.3Å; T145-K153 PolarHBondContact N-O 3.2Å; T145-K153 PolarHBondContact O-N 3.3Å; T145-W155 PolarHBondContact OG1-NE1 3.26Å; T145-W155 VanDerWaalsContact OG1-NE1 3.08Å; T145-I186 VanDerWaalsContact C-CD1 3.47Å
146G93.9Very high90.7Very high0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-163.4154.2175.700000111.9C131 R132C131-G146 PolarHBondContact N-O 2.89Å; R132-G146 PolarHBondContact N-O 3.48Å; R132-G146 PolarHBondContact O-N 3.36Å
147G93.4Very high90.6Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-160.6-164.2-170.800000115.3S129 N150 W182 V183S129-G147 WeakPolarHBondContact O-CA 3.29Å; G147-N150 CarbonylContact C-O 3.58Å; G147-N150 PolarHBondContact N-O 3.2Å; G147-N150 VanDerWaalsContact O-O 3.11Å; G147-W182 WeakPolarHBondContact O-CA 3.49Å; G147-V183 PolarHBondContact O-N 3.33Å
148K92.4Very high90.6Very high106 Ų10634.7 Ų34.746%0.46117%0.174SC..BIsolated β-bridgetrans-80.2122.5174.9-172.1179178.6-177.10108.8S129 N150 W182S129-K148 PolarHBondContact O-N 3.46Å; S129-K148 VanDerWaalsContact O-N 3.09Å; K148-N150 PolarHBondContact O-N 2.74Å; K148-W182 HydrophobicContact CB-CD2 4.45Å; K148-W182 HydrophobicContact CB-CG 4.12Å; K148-W182 HydrophobicContact CD-CD2 4.49Å; K148-W182 HydrophobicContact CG-CD2 4.21Å; K148-W182 HydrophobicContact CG-CG 4.1Å
149E88.8Confident90.7Very high80 Ų8039 Ų3937%0.37418%0.181SC..SBendtrans56.715.8-172.3-62.5-58.3133.500114.6R178 H181E149-R178 IonicContact OE2-CZ 3.35Å; E149-R178 VanDerWaalsContact OE2-CZ 3.24Å; E149-R178 IonicContact OE2-NH1 3.26Å; E149-R178 PolarHBondContact OE2-NH1 2.96Å; E149-R178 IonicContact OE2-NH2 3.49Å; E149-R178 PolarHBondContact OE2-NH2 2.79Å; E149-H181 WeakPolarHBondContact CA-CE1 3.42Å; E149-H181 WeakPolarHBondContact CA-O 3.35Å; E149-H181 PolarHBondContact N-O 3.07Å; E149-H181 PolarHBondContact O-CE1 2.84Å; E149-H181 VanDerWaalsContact O-CE1 3.24Å; E149-H181 PolarHBondContact O-NE2 3.1Å; E149-H181 PolarHBondContact OE1-N 2.87Å; E149-H181 IonicContact OE1-ND1 3.79Å; E149-H181 IonicContact OE2-CE1 3.54Å; E149-H181 PolarHBondContact OE2-CE1 2.86Å; E149-H181 IonicContact OE2-ND1 3.53Å; E149-H181 PolarHBondContact OE2-ND1 3.03Å
150N88.6Confident90.3Very high10 Ų1038.6 Ų38.65%0.05318%0.181CC..  trans-126.3103.4175.7-167.57000108.3A126 G127 S128 G147 K148 K153 H181A126-N150 PolarHBondContact O-ND2 3.19Å; G127-N150 PolarHBondContact O-ND2 2.83Å; S128-N150 PolarHBondContact O-ND2 3.43Å; G147-N150 CarbonylContact C-O 3.58Å; G147-N150 PolarHBondContact N-O 3.2Å; G147-N150 VanDerWaalsContact O-O 3.11Å; K148-N150 PolarHBondContact O-N 2.74Å; N150-K153 WeakPolarHBondContact OD1-CE 2.92Å; N150-K153 PolarHBondContact OD1-NZ 3.12Å; N150-H181 PolarHBondContact N-NE2 3.25Å
151G90.3Very high89.9Confident13 Ų1345 Ų4513%0.13421%0.208CC..  trans-63.3174.2-179.600000112.8K153 H181G151-K153 PolarHBondContact O-N 3.31Å; G151-H181 PolarHBondContact N-CD2 3.33Å; G151-H181 PolarHBondContact N-NE2 2.92Å
152L93.8Very high89.8Confident1 Ų151.4 Ų51.41%0.00523%0.234CC..  trans-58.6122.2174.1176.967.9000110.2A144 F165 A167 I186 V195 T197 F207A144-L152 HydrophobicContact CB-CD1 3.83Å; L152-F165 HydrophobicContact CD2-CE1 4.43Å; L152-A167 HydrophobicContact CB-CB 3.91Å; L152-A167 WeakPolarHBondContact O-CB 3.4Å; L152-A167 PolarHBondContact O-N 2.79Å; L152-I186 HydrophobicContact CD1-CD1 3.98Å; L152-I186 HydrophobicContact CD1-CG1 4.43Å; L152-I186 HydrophobicContact CD1-CG2 4.01Å; L152-V195 HydrophobicContact CD1-CG1 3.99Å; L152-V195 HydrophobicContact CD2-CB 3.85Å; L152-V195 HydrophobicContact CD2-CG1 3.67Å; L152-V195 HydrophobicContact CG-CG1 4.5Å; L152-T197 HydrophobicContact CB-CG2 4.11Å; L152-T197 HydrophobicContact CD1-CG2 4.03Å; L152-T197 HydrophobicContact CD2-CG2 3.98Å; L152-T197 HydrophobicContact CG-CG2 4.26Å; L152-F207 HydrophobicContact CD2-CB 3.97Å; L152-F207 HydrophobicContact CD2-CD2 3.62Å; L152-F207 HydrophobicContact CD2-CE2 4.34Å; L152-F207 HydrophobicContact CD2-CG 3.91Å
153K93.6Very high89.6Confident40 Ų4050.1 Ų50.117%0.17423%0.234CC..EExtended strand (participates in β ladder)trans-119.3138168.2-63.5176-171.11660109.3A126 A144 T145 N150 G151 W155 P163 F165 T166A126-K153 PolarHBondContact O-NZ 3.43Å; A144-K153 CarbonylContact C-O 3.59Å; A144-K153 VanDerWaalsContact CA-O 3.3Å; A144-K153 WeakPolarHBondContact CA-O 3.32Å; T145-K153 PolarHBondContact N-O 3.2Å; T145-K153 PolarHBondContact O-N 3.3Å; N150-K153 WeakPolarHBondContact OD1-CE 2.92Å; N150-K153 PolarHBondContact OD1-NZ 3.12Å; G151-K153 PolarHBondContact O-N 3.31Å; K153-W155 HydrophobicContact CB-CZ2 4.38Å; K153-W155 HydrophobicContact CD-CZ2 3.85Å; K153-P163 HydrophobicContact CB-CB 4.47Å; K153-F165 CarbonylContact C-O 3.42Å; K153-F165 VanDerWaalsContact CA-O 3.25Å; K153-F165 WeakPolarHBondContact CA-O 3.47Å; K153-T166 HydrophobicContact CG-CG2 4.18Å
154I93.8Very high89.4Confident5 Ų554.5 Ų54.53%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-112.8128.3173.7-53.8176.6000107.6V143 P163 L164 F165 V195 P209V143-I154 CarbonylContact O-C 3.57Å; V143-I154 WeakPolarHBondContact O-CA 3.48Å; I154-P163 CarbonylContact O-C 3.55Å; I154-P163 WeakPolarHBondContact O-CA 3.42Å; I154-P163 WeakPolarHBondContact O-CB 3.38Å; I154-L164 PolarHBondContact O-N 2.79Å; I154-F165 HydrophobicContact CB-CB 4.04Å; I154-F165 HydrophobicContact CD1-CB 4.05Å; I154-F165 HydrophobicContact CD1-CD1 4.2Å; I154-F165 HydrophobicContact CD1-CG 4.39Å; I154-F165 HydrophobicContact CG1-CB 4.14Å; I154-F165 HydrophobicContact CG1-CD1 4.35Å; I154-F165 PolarHBondContact N-O 2.75Å; I154-F165 PolarHBondContact O-N 3.37Å; I154-V195 HydrophobicContact CD1-CG2 3.8Å; I154-P209 HydrophobicContact CD1-CB 3.79Å; I154-P209 HydrophobicContact CD1-CG 4.04Å
155W92.6Very high89.2Confident14 Ų1455.3 Ų55.35%0.05326%0.261CS..EExtended strand (participates in β ladder)trans-113.6144.7-177.1-60.793.2000109.8L124 D125 A126 R142 V143 T145 K153 P163L124-W155 HydrophobicContact CD2-CB 4.42Å; L124-W155 HydrophobicContact CD2-CD2 4.39Å; L124-W155 HydrophobicContact CD2-CE3 3.9Å; D125-W155 WeakPolarHBondContact O-CH2 3.01Å; D125-W155 WeakPolarHBondContact O-CZ2 3.19Å; A126-W155 HydrophobicContact CB-CZ2 4.39Å; R142-W155 WeakPolarHBondContact CA-O 3.13Å; V143-W155 PolarHBondContact N-O 3.05Å; V143-W155 PolarHBondContact O-N 2.94Å; T145-W155 PolarHBondContact OG1-NE1 3.26Å; T145-W155 VanDerWaalsContact OG1-NE1 3.08Å; K153-W155 HydrophobicContact CB-CZ2 4.38Å; K153-W155 HydrophobicContact CD-CZ2 3.85Å; W155-P163 HydrophobicContact CD2-CB 4.03Å; W155-P163 HydrophobicContact CE3-CB 3.96Å; W155-P163 HydrophobicContact CH2-CB 3.96Å; W155-P163 HydrophobicContact CH2-CG 4Å; W155-P163 HydrophobicContact CZ2-CB 3.97Å; W155-P163 HydrophobicContact CZ2-CG 4.3Å; W155-P163 HydrophobicContact CZ3-CB 3.96Å; W155-P163 HydrophobicContact CZ3-CG 4.21Å
156D90.8Very high89.1Confident22 Ų2257.3 Ų57.312%0.11827%0.273CS..EExtended strand (participates in β ladder)trans-103.5121.6165.8-169.3-9.5000108.2E158 R159 L164D156-E158 PolarHBondContact O-N 3.38Å; D156-E158 PolarHBondContact OD1-N 3.28Å; D156-R159 HydrophobicContact CB-CB 4.37Å; D156-R159 CarbonylContact O-C 3.54Å; D156-R159 PolarHBondContact O-N 3.07Å; D156-R159 VanDerWaalsContact O-N 3.14Å; D156-L164 HydrophobicContact CB-CD1 3.76Å; D156-L164 HydrophobicContact CB-CD2 4.2Å; D156-L164 HydrophobicContact CB-CG 3.86Å
157L86.6Confident89Confident20 Ų2058 Ų5811%0.10528%0.279CS..THydrogen-bonded Turntrans-69.7-21.1179.5-63.2175.2000112.3L96 I102 L110 V112 L124 N141 V143 R159L96-L157 HydrophobicContact CD1-CD1 4.29Å; L96-L157 HydrophobicContact CD2-CD1 4.3Å; I102-L157 HydrophobicContact CD1-CD1 3.43Å; I102-L157 VanDerWaalsContact CD1-CD1 3.43Å; I102-L157 HydrophobicContact CG1-CD1 3.92Å; L110-L157 HydrophobicContact CD2-CD2 3.81Å; V112-L157 HydrophobicContact CG2-CD1 4.46Å; V112-L157 HydrophobicContact CG2-CD2 3.88Å; L124-L157 HydrophobicContact CD1-CD2 4.21Å; N141-L157 WeakPolarHBondContact O-CB 3.19Å; N141-L157 VanDerWaalsContact O-CG 3.26Å; N141-L157 WeakPolarHBondContact O-CG 3.2Å; N141-L157 PolarHBondContact O-N 2.61Å; V143-L157 HydrophobicContact CG2-CD1 3.96Å; V143-L157 HydrophobicContact CG2-CD2 4.34Å; V143-L157 HydrophobicContact CG2-CG 4.2Å; L157-R159 VanDerWaalsContact C-N 3.31Å
158E85.9Confident88.7Confident127 Ų12764 Ų6459%0.59331%0.305SS*.THydrogen-bonded Turntrans-75.2-24173-64.3-173.7173.600112.1N141 D156N141-E158 HydrophobicContact CB-CG 4.47Å; N141-E158 PolarHBondContact ND2-OE1 3.29Å; D156-E158 PolarHBondContact O-N 3.38Å; D156-E158 PolarHBondContact OD1-N 3.28Å
159R85.2Confident88.3Confident180 Ų18060.7 Ų60.768%0.67929%0.292SS*.  trans-131.372.3-176.5-61-177.4-174.2-166.81.7110.6D156 L157 E161D156-R159 HydrophobicContact CB-CB 4.37Å; D156-R159 CarbonylContact O-C 3.54Å; D156-R159 PolarHBondContact O-N 3.07Å; D156-R159 VanDerWaalsContact O-N 3.14Å; L157-R159 VanDerWaalsContact C-N 3.31Å; R159-E161 PolarHBondContact O-N 3.46Å; R159-E161 VanDerWaalsContact O-N 3.14Å
160P79.3Confident88.1Confident50 Ų5058 Ų5833%0.32528%0.28SS..THydrogen-bonded Turntrans-70.1-12.2-17027.6-35.7000114.9L124 K162L124-P160 HydrophobicContact CD1-CB 4.03Å; L124-P160 HydrophobicContact CD2-CB 3.49Å; L124-P160 VanDerWaalsContact CD2-CB 3.49Å; L124-P160 HydrophobicContact CG-CB 3.56Å; P160-K162 PolarHBondContact O-N 2.8Å
161E78.1Confident87.9Confident182 Ų18266.5 Ų66.585%0.8531%0.311SS*.THydrogen-bonded Turntrans-66.8-32.4-171.9-62.2-170.8166.200114.1R159R159-E161 PolarHBondContact O-N 3.46Å; R159-E161 VanDerWaalsContact O-N 3.14Å
162K85.5Confident87.7Confident162 Ų16270.1 Ų70.170%0.70433%0.328SS*.SBendtrans-143.4142.7-176.7-69.2-178.6-176.9168.50111.4P160 L164P160-K162 PolarHBondContact O-N 2.8Å; K162-L164 PolarHBondContact O-N 3.46Å
163P87.5Confident87.3Confident40 Ų4072.5 Ų72.526%0.2634%0.34SS..  trans-66.2135.8171.928.3-32.3000109.4K153 I154 W155 F165 T166K153-P163 HydrophobicContact CB-CB 4.47Å; I154-P163 CarbonylContact O-C 3.55Å; I154-P163 WeakPolarHBondContact O-CA 3.42Å; I154-P163 WeakPolarHBondContact O-CB 3.38Å; W155-P163 HydrophobicContact CD2-CB 4.03Å; W155-P163 HydrophobicContact CE3-CB 3.96Å; W155-P163 HydrophobicContact CH2-CB 3.96Å; W155-P163 HydrophobicContact CH2-CG 4Å; W155-P163 HydrophobicContact CZ2-CB 3.97Å; W155-P163 HydrophobicContact CZ2-CG 4.3Å; W155-P163 HydrophobicContact CZ3-CB 3.96Å; W155-P163 HydrophobicContact CZ3-CG 4.21Å; P163-F165 PolarHBondContact O-N 3.28Å; P163-T166 WeakPolarHBondContact CG-OG1 3.21Å
164L88.9Confident86.8Confident93 Ų9380.4 Ų80.449%0.48737%0.369SS..SBendtrans-59.6-40172.2-70.3178.8000111R142 I154 D156 K162R142-L164 HydrophobicContact CG-CD1 4.43Å; I154-L164 PolarHBondContact O-N 2.79Å; D156-L164 HydrophobicContact CB-CD1 3.76Å; D156-L164 HydrophobicContact CB-CD2 4.2Å; D156-L164 HydrophobicContact CB-CG 3.86Å; K162-L164 PolarHBondContact O-N 3.46Å
165F90.3Very high86.6Confident16 Ų1684.7 Ų84.77%0.0739%0.392CS..EExtended strand (participates in β ladder)trans-139.6136.5-178.3-177.4-96.3000110.5L152 K153 I154 P163 A167 F207 P209 R214L152-F165 HydrophobicContact CD2-CE1 4.43Å; K153-F165 CarbonylContact C-O 3.42Å; K153-F165 VanDerWaalsContact CA-O 3.25Å; K153-F165 WeakPolarHBondContact CA-O 3.47Å; I154-F165 HydrophobicContact CB-CB 4.04Å; I154-F165 HydrophobicContact CD1-CB 4.05Å; I154-F165 HydrophobicContact CD1-CD1 4.2Å; I154-F165 HydrophobicContact CD1-CG 4.39Å; I154-F165 HydrophobicContact CG1-CB 4.14Å; I154-F165 HydrophobicContact CG1-CD1 4.35Å; I154-F165 PolarHBondContact N-O 2.75Å; I154-F165 PolarHBondContact O-N 3.37Å; P163-F165 PolarHBondContact O-N 3.28Å; F165-A167 HydrophobicContact CE1-CB 3.97Å; F165-F207 HydrophobicContact CE1-CB 4.26Å; F165-F207 HydrophobicContact CE1-CD1 4.21Å; F165-F207 HydrophobicContact CE1-CG 4.42Å; F165-F207 HydrophobicContact CZ-CB 4.39Å; F165-F207 HydrophobicContact CZ-CD1 4.19Å; F165-P209 HydrophobicContact CB-CB 4.31Å; F165-P209 HydrophobicContact CD2-CB 4.17Å; F165-P209 HydrophobicContact CG-CB 4.19Å; F165-R214 HydrophobicContact CE2-CG 4.3Å
166T92.1Very high86.3Confident43 Ų4390.9 Ų90.926%0.26443%0.426SS..EExtended strand (participates in β ladder)trans-129.7114.8171.2-58.90000108.1K153 P163 K168 R214K153-T166 HydrophobicContact CG-CG2 4.18Å; P163-T166 WeakPolarHBondContact CG-OG1 3.21Å; T166-K168 PolarHBondContact O-N 3.32Å; T166-R214 WeakPolarHBondContact O-CD 3.42Å
167A90.8Very high86.2Confident14 Ų1495.1 Ų95.112%0.11645%0.448CS..PPolyproline II helixtrans-63134.617500000110.3L152 F165 F207 R214L152-A167 HydrophobicContact CB-CB 3.91Å; L152-A167 WeakPolarHBondContact O-CB 3.4Å; L152-A167 PolarHBondContact O-N 2.79Å; F165-A167 HydrophobicContact CE1-CB 3.97Å; A167-F207 HydrophobicContact CB-CD1 4.15Å; A167-F207 HydrophobicContact CB-CE1 3.68Å; A167-F207 HydrophobicContact CB-CZ 4Å; A167-R214 CarbonylContact C-O 3.6Å; A167-R214 WeakPolarHBondContact CA-O 3.39Å
168K87.9Confident86.1Confident126 Ų126101 Ų10155%0.54847%0.469SS..PPolyproline II helixtrans-88.2144.7165.9-76.6-172.8175.4-175.60108.2T166 R214 R215T166-K168 PolarHBondContact O-N 3.32Å; K168-R214 HydrophobicContact CB-CB 4Å; K168-R214 HydrophobicContact CD-CB 4.25Å; K168-R214 HydrophobicContact CG-CB 3.83Å; K168-R214 PolarHBondContact N-O 3.05Å; K168-R215 HydrophobicContact CB-CG 4.41Å
169N84.1Confident86.1Confident36 Ų3698.6 Ų98.619%0.19345%0.454CS..PPolyproline II helixtrans-60.5160.9173.5-160.415.1000111.5R179N169-R179 PolarHBondContact ND2-O 3.45Å
170L84.4Confident86.1Confident24 Ų2493 Ų9313%0.12644%0.441CS..PPolyproline II helixtrans-60.1168.4172.6-76.383.6000110.7P216 E219L170-P216 HydrophobicContact CD1-CG 4.05Å; L170-P216 HydrophobicContact CD2-CG 4.44Å; L170-P216 HydrophobicContact CG-CG 4.06Å; L170-E219 WeakPolarHBondContact CD2-OE1 3.47Å; L170-E219 VanDerWaalsContact CD2-OE2 3.25Å; L170-E219 WeakPolarHBondContact CD2-OE2 3.3Å
171R84.4Confident86.4Confident188 Ų18892 Ų9271%0.70943%0.432SS*.PPolyproline II helixtrans-60.5151.6171.1-70.1-170.4173.21596109.3R179R171-R179 WeakPolarHBondContact O-CD 3.44Å
172D86.4Confident87.1Confident90 Ų9087.1 Ų87.148%0.48141%0.406SS..PPolyproline II helixtrans-56.5152.6170.5-57.3-33.4000109.3L177 R178D172-L177 WeakPolarHBondContact CA-O 3.47Å; D172-L177 WeakPolarHBondContact CB-O 3.36Å; D172-R178 WeakPolarHBondContact OD1-CA 3.39Å
173D84.9Confident87.5Confident50 Ų5079.8 Ų79.827%0.26738%0.375SS..  trans-69.6175.1-177.2-158.718.2000111.8L175 D176 L177 R179D173-L175 PolarHBondContact O-N 3.38Å; D173-D176 WeakPolarHBondContact O-CA 3.28Å; D173-D176 PolarHBondContact O-N 2.9Å; D173-L177 PolarHBondContact N-O 3.21Å; D173-R179 HydrophobicContact CB-CG 4.21Å; D173-R179 IonicContact OD1-CZ 3.97Å; D173-R179 IonicContact OD1-NE 3.64Å; D173-R179 IonicContact OD1-NH2 3.18Å; D173-R179 PolarHBondContact OD1-NH2 3.22Å
174W83.8Confident87.9Confident206 Ų20680.9 Ų80.978%0.7837%0.374SS*.THydrogen-bonded Turntrans-58.5-13.317764.1-83.5000114.4
175L90.1Very high88.1Confident95 Ų9576.7 Ų76.750%0.49735%0.352SS..THydrogen-bonded Turntrans-9511.3172.6-71.8167.6000113.6D173 L177D173-L175 PolarHBondContact O-N 3.38Å; L175-L177 HydrophobicContact CB-CD1 4.01Å; L175-L177 HydrophobicContact CB-CG 4.12Å; L175-L177 HydrophobicContact CD1-CD1 4.35Å; L175-L177 PolarHBondContact O-N 2.82Å; L175-L177 VanDerWaalsContact O-N 3.12Å
176D85.1Confident88.4Confident144 Ų14476 Ų7677%0.7735%0.349SS*.SBendtrans55.126.3-173-63.1-44.1000113.6D173D173-D176 WeakPolarHBondContact O-CA 3.28Å; D173-D176 PolarHBondContact O-N 2.9Å
177L88.6Confident88.4Confident112 Ų11274.3 Ų74.359%0.58634%0.34SS*.PPolyproline II helixtrans-93.9135.2176.7-70.2171.9000110.6D172 D173 L175 R179D172-L177 WeakPolarHBondContact CA-O 3.47Å; D172-L177 WeakPolarHBondContact CB-O 3.36Å; D173-L177 PolarHBondContact N-O 3.21Å; L175-L177 HydrophobicContact CB-CD1 4.01Å; L175-L177 HydrophobicContact CB-CG 4.12Å; L175-L177 HydrophobicContact CD1-CD1 4.35Å; L175-L177 PolarHBondContact O-N 2.82Å; L175-L177 VanDerWaalsContact O-N 3.12Å; L177-R179 PolarHBondContact O-N 2.91Å; L177-R179 VanDerWaalsContact O-N 3.15Å
178R85.3Confident88.5Confident142 Ų14274.7 Ų74.754%0.53634%0.339SS..PPolyproline II helixtrans-60.8118173.2-179.2173.9173.7-901.6110E149 D172 H181E149-R178 IonicContact OE2-CZ 3.35Å; E149-R178 VanDerWaalsContact OE2-CZ 3.24Å; E149-R178 IonicContact OE2-NH1 3.26Å; E149-R178 PolarHBondContact OE2-NH1 2.96Å; E149-R178 IonicContact OE2-NH2 3.49Å; E149-R178 PolarHBondContact OE2-NH2 2.79Å; D172-R178 WeakPolarHBondContact OD1-CA 3.39Å; R178-H181 PolarHBondContact NH2-CE1 3.26Å; R178-H181 PolarHBondContact NH2-ND1 3.26Å
179R85.6Confident88.7Confident77 Ų7769.3 Ų69.329%0.29132%0.316SS..PPolyproline II helixtrans-64127.4175-67.5-173.5173.4-146.9-2.5109.7N169 R171 D173 L177N169-R179 PolarHBondContact ND2-O 3.45Å; R171-R179 WeakPolarHBondContact O-CD 3.44Å; D173-R179 HydrophobicContact CB-CG 4.21Å; D173-R179 IonicContact OD1-CZ 3.97Å; D173-R179 IonicContact OD1-NE 3.64Å; D173-R179 IonicContact OD1-NH2 3.18Å; D173-R179 PolarHBondContact OD1-NH2 3.22Å; L177-R179 PolarHBondContact O-N 2.91Å; L177-R179 VanDerWaalsContact O-N 3.15Å
180P84.8Confident88.4Confident62 Ų6269.3 Ų69.340%0.40332%0.318SS..PPolyproline II helixtrans-67.1148.5174.430.5-35.4000109.5Y201P180-Y201 HydrophobicContact CB-CE2 3.7Å; P180-Y201 VanDerWaalsContact CB-OH 3.31Å; P180-Y201 WeakPolarHBondContact CB-OH 3.37Å; P180-Y201 HydrophobicContact CG-CD2 4.4Å; P180-Y201 HydrophobicContact CG-CE1 3.89Å; P180-Y201 HydrophobicContact CG-CE2 3.73Å; P180-Y201 VanDerWaalsContact CG-CZ 3.44Å
181H86.2Confident88.1Confident29 Ų2975.5 Ų75.513%0.13435%0.351CS..  trans-131.2129.3-179.771.4-65.7000110E149 N150 G151 R178E149-H181 WeakPolarHBondContact CA-CE1 3.42Å; E149-H181 WeakPolarHBondContact CA-O 3.35Å; E149-H181 PolarHBondContact N-O 3.07Å; E149-H181 PolarHBondContact O-CE1 2.84Å; E149-H181 VanDerWaalsContact O-CE1 3.24Å; E149-H181 PolarHBondContact O-NE2 3.1Å; E149-H181 PolarHBondContact OE1-N 2.87Å; E149-H181 IonicContact OE1-ND1 3.79Å; E149-H181 IonicContact OE2-CE1 3.54Å; E149-H181 PolarHBondContact OE2-CE1 2.86Å; E149-H181 IonicContact OE2-ND1 3.53Å; E149-H181 PolarHBondContact OE2-ND1 3.03Å; N150-H181 PolarHBondContact N-NE2 3.25Å; G151-H181 PolarHBondContact N-CD2 3.33Å; G151-H181 PolarHBondContact N-NE2 2.92Å; R178-H181 PolarHBondContact NH2-CE1 3.26Å; R178-H181 PolarHBondContact NH2-ND1 3.26Å
182W92.8Very high87.8Confident80 Ų8068.5 Ų68.530%0.30333%0.331SS..BIsolated β-bridgetrans-142.695.7-176.7-173.83.1000109.9C131 G147 K148 T199 G200 Y201C131-W182 PolarHBondContact SG-NE1 3.23Å; G147-W182 WeakPolarHBondContact O-CA 3.49Å; K148-W182 HydrophobicContact CB-CD2 4.45Å; K148-W182 HydrophobicContact CB-CG 4.12Å; K148-W182 HydrophobicContact CD-CD2 4.49Å; K148-W182 HydrophobicContact CG-CD2 4.21Å; K148-W182 HydrophobicContact CG-CG 4.1Å; W182-T199 CarbonylContact O-C 3.57Å; W182-T199 WeakPolarHBondContact O-CA 3.28Å; W182-T199 WeakPolarHBondContact O-CB 3.33Å; W182-G200 PolarHBondContact O-N 3.26Å; W182-Y201 HydrophobicContact CB-CD2 4.29Å; W182-Y201 HydrophobicContact CB-CE2 3.86Å
183V94.4Very high87.6Confident8 Ų868.4 Ų68.45%0.04833%0.328CS..EExtended strand (participates in β ladder)trans-76.7125.1176.7-179.10000109C131 G147 I186 T197C131-V183 VanDerWaalsContact CB-O 3.28Å; C131-V183 WeakPolarHBondContact CB-O 3.39Å; G147-V183 PolarHBondContact O-N 3.33Å; V183-I186 HydrophobicContact CG1-CD1 4.16Å; V183-I186 HydrophobicContact CG1-CG1 3.71Å; V183-T197 HydrophobicContact CG1-CG2 4.3Å
184R94.3Very high87.8Confident64 Ų6469.7 Ų69.724%0.24233%0.331CS..EExtended strand (participates in β ladder)trans-105.4-37.8-177-72.1-64.8-55.1135.48.2113.1C198 L227R184-C198 PolarHBondContact N-O 3.14Å; R184-L227 WeakPolarHBondContact CB-O 3.44Å; R184-L227 WeakPolarHBondContact CG-O 3.39Å
185D94.4Very high88.3Confident5 Ų559.9 Ų59.93%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-148.7159.9174.2-157.5-2.2000109.9R132 R134 T197 C198 L230R132-D185 WeakPolarHBondContact CG-OD1 3.07Å; R132-D185 IonicContact NE-OD1 2.8Å; R132-D185 PolarHBondContact NE-OD1 2.79Å; R134-D185 IonicContact CZ-OD1 3.36Å; R134-D185 IonicContact NE-OD1 3.15Å; R134-D185 PolarHBondContact NE-OD1 3.32Å; R134-D185 VanDerWaalsContact NE-OD1 3.16Å; R134-D185 IonicContact NH2-OD1 2.75Å; R134-D185 PolarHBondContact NH2-OD1 3.33Å; R134-D185 VanDerWaalsContact NH2-OD1 3.13Å; R134-D185 IonicContact NH2-OD2 2.68Å; R134-D185 PolarHBondContact NH2-OD2 3.47Å; D185-T197 WeakPolarHBondContact O-CA 3.36Å; D185-C198 PolarHBondContact O-N 2.79Å; D185-L230 HydrophobicContact CB-CB 3.9Å; D185-L230 PolarHBondContact OD2-N 3.39Å
186I95.3Very high88.5Confident1 Ų155.3 Ų55.31%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-134.6149.2-173.1-55.8169.5000108R134 A144 T145 L152 V183 V195 V196 T197R134-I186 HydrophobicContact CG-CB 4.12Å; R134-I186 WeakPolarHBondContact CG-O 3.27Å; R134-I186 PolarHBondContact NE-O 2.57Å; A144-I186 HydrophobicContact CB-CD1 4.34Å; A144-I186 HydrophobicContact CB-CG2 3.83Å; T145-I186 VanDerWaalsContact C-CD1 3.47Å; L152-I186 HydrophobicContact CD1-CD1 3.98Å; L152-I186 HydrophobicContact CD1-CG1 4.43Å; L152-I186 HydrophobicContact CD1-CG2 4.01Å; V183-I186 HydrophobicContact CG1-CD1 4.16Å; V183-I186 HydrophobicContact CG1-CG1 3.71Å; I186-V195 HydrophobicContact CG2-CG1 3.56Å; I186-V196 CarbonylContact C-O 3.39Å; I186-V196 WeakPolarHBondContact CA-O 3.41Å; I186-T197 HydrophobicContact CG1-CG2 4.29Å; I186-T197 HydrophobicContact CG2-CG2 4.44Å
187G93.8Very high89Confident8 Ų848.5 Ų48.58%0.08223%0.234CC..EExtended strand (participates in β ladder)trans-147136.1171.700000111.1V196G187-V196 PolarHBondContact N-O 2.77Å; G187-V196 PolarHBondContact O-N 3.1Å
188F92.8Very high89.3Confident22 Ų2243.2 Ų43.210%0.09621%0.206CC..EExtended strand (participates in β ladder)trans-88.4126.5170.3-71.5-90.3000109.4R134 Q135 P137 A144 P190 V195 L232R134-F188 HydrophobicContact CB-CD2 4.47Å; R134-F188 HydrophobicContact CB-CE2 4.26Å; R134-F188 WeakPolarHBondContact O-CE2 3.1Å; Q135-F188 WeakPolarHBondContact O-CD2 3.32Å; P137-F188 VanDerWaalsContact CD-CB 3.44Å; P137-F188 HydrophobicContact CG-CB 4.2Å; A144-F188 HydrophobicContact CB-CE1 4.34Å; A144-F188 HydrophobicContact CB-CE2 3.55Å; A144-F188 HydrophobicContact CB-CZ 3.33Å; F188-P190 WeakPolarHBondContact O-CD 3.32Å; F188-V195 HydrophobicContact CD1-CG2 3.65Å; F188-V195 HydrophobicContact CE1-CG2 3.66Å; F188-L232 WeakPolarHBondContact O-CD1 3.34Å
189I90.9Very high89.7Confident13 Ų1336.7 Ų36.77%0.06718%0.182CC..PPolyproline II helixtrans-69.8120.3178.7-60.1-177.6000108.3S192 K194 V196 V206 L232 G236 L253I189-S192 WeakPolarHBondContact CB-OG 3.47Å; I189-S192 VanDerWaalsContact CG2-OG 3.28Å; I189-S192 WeakPolarHBondContact CG2-OG 3.5Å; I189-S192 PolarHBondContact O-N 3.32Å; I189-K194 HydrophobicContact CD1-CB 3.84Å; I189-K194 HydrophobicContact CG1-CB 4.4Å; I189-K194 PolarHBondContact N-O 2.88Å; I189-V196 HydrophobicContact CD1-CG2 3.6Å; I189-V196 HydrophobicContact CG1-CG2 3.59Å; I189-V206 HydrophobicContact CD1-CG1 4.31Å; I189-L232 HydrophobicContact CG1-CD1 4.24Å; I189-L232 HydrophobicContact CG1-CD2 4.21Å; I189-G236 WeakPolarHBondContact CG2-O 3.35Å; I189-L253 HydrophobicContact CD1-CD1 3.71Å; I189-L253 HydrophobicContact CG1-CD1 4.22Å
190P79.3Confident90Very high35 Ų3533.4 Ų33.423%0.22717%0.172CC..THydrogen-bonded Turntrans-60.3142.817226.3-32.3000109.3F188 S192F188-P190 WeakPolarHBondContact O-CD 3.32Å; P190-S192 VanDerWaalsContact C-N 3.28Å; P190-S192 PolarHBondContact O-N 3.25Å
191D77.2Confident90.3Very high154 Ų15434.5 Ų34.582%0.82417%0.169SC*.THydrogen-bonded Turntrans74.3-4.4-176.4-49-28.2000117.1
192S77.5Confident90.6Very high41 Ų4135.8 Ų35.829%0.28718%0.175SC..SBendtrans-137.6150.6172.972.10000111.7I189 P190 K194I189-S192 WeakPolarHBondContact CB-OG 3.47Å; I189-S192 VanDerWaalsContact CG2-OG 3.28Å; I189-S192 WeakPolarHBondContact CG2-OG 3.5Å; I189-S192 PolarHBondContact O-N 3.32Å; P190-S192 VanDerWaalsContact C-N 3.28Å; P190-S192 PolarHBondContact O-N 3.25Å; S192-K194 PolarHBondContact O-N 2.8Å; S192-K194 WeakPolarHBondContact OG-CB 3.22Å
193E82.3Confident90.5Very high88 Ų8833 Ų3341%0.41117%0.165SC..SBendtrans-69.51173.1-69.5-163.4131.100113R142 P209R142-E193 IonicContact CZ-OE1 3.24Å; R142-E193 IonicContact NH1-OE1 3.88Å; R142-E193 PolarHBondContact NH1-OE1 3Å; R142-E193 IonicContact NH2-OE1 2.85Å; R142-E193 PolarHBondContact NH2-OE1 2.78Å; R142-E193 VanDerWaalsContact NH2-OE1 3.15Å; E193-P209 HydrophobicContact CB-CG 4.11Å; E193-P209 WeakPolarHBondContact O-CD 3.42Å; E193-P209 WeakPolarHBondContact O-CG 3.32Å
194K90.5Very high90.5Very high77 Ų7732.8 Ų32.834%0.33516%0.164SC..  trans-71.3148.1-176.4-65.1178.2-177.6177.60112.3I189 S192 V206 F207 D208I189-K194 HydrophobicContact CD1-CB 3.84Å; I189-K194 HydrophobicContact CG1-CB 4.4Å; I189-K194 PolarHBondContact N-O 2.88Å; S192-K194 PolarHBondContact O-N 2.8Å; S192-K194 WeakPolarHBondContact OG-CB 3.22Å; K194-V206 HydrophobicContact CB-CG1 4.33Å; K194-V206 HydrophobicContact CD-CG1 4.44Å; K194-F207 CarbonylContact C-O 3.59Å; K194-F207 VanDerWaalsContact CA-O 3.27Å; K194-F207 WeakPolarHBondContact CA-O 3.46Å; K194-F207 WeakPolarHBondContact CB-O 3.26Å; K194-D208 WeakPolarHBondContact CE-OD2 3.38Å; K194-D208 HydrophobicContact CG-CB 4.1Å
195V93.6Very high90.5Very high0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-122.8132.6-178.4-174.10000110L152 I154 I186 F188 V206 F207L152-V195 HydrophobicContact CD1-CG1 3.99Å; L152-V195 HydrophobicContact CD2-CB 3.85Å; L152-V195 HydrophobicContact CD2-CG1 3.67Å; L152-V195 HydrophobicContact CG-CG1 4.5Å; I154-V195 HydrophobicContact CD1-CG2 3.8Å; I186-V195 HydrophobicContact CG2-CG1 3.56Å; F188-V195 HydrophobicContact CD1-CG2 3.65Å; F188-V195 HydrophobicContact CE1-CG2 3.66Å; V195-V206 CarbonylContact O-C 3.54Å; V195-V206 WeakPolarHBondContact O-CA 3.34Å; V195-F207 PolarHBondContact N-O 3.47Å; V195-F207 PolarHBondContact O-N 3.16Å
196V94.7Very high90.5Very high0 Ų030.5 Ų30.50%016%0.156CC..EExtended strand (participates in β ladder)trans-103.9138174.1-167.50000109.4I186 G187 I189 V204 H205 V206 L230 L232 V239 L253I186-V196 CarbonylContact C-O 3.39Å; I186-V196 WeakPolarHBondContact CA-O 3.41Å; G187-V196 PolarHBondContact N-O 2.77Å; G187-V196 PolarHBondContact O-N 3.1Å; I189-V196 HydrophobicContact CD1-CG2 3.6Å; I189-V196 HydrophobicContact CG1-CG2 3.59Å; V196-V204 HydrophobicContact CG1-CG1 3.47Å; V196-V204 VanDerWaalsContact CG1-CG1 3.47Å; V196-H205 CarbonylContact C-O 3.57Å; V196-H205 WeakPolarHBondContact CA-O 3.39Å; V196-V206 HydrophobicContact CG1-CG2 4.4Å; V196-V206 HydrophobicContact CG2-CG2 4.2Å; V196-L230 HydrophobicContact CB-CD1 4.17Å; V196-L230 HydrophobicContact CG1-CD1 3.67Å; V196-L232 HydrophobicContact CG2-CD2 4Å; V196-V239 HydrophobicContact CG1-CG2 4.4Å; V196-L253 HydrophobicContact CG1-CD2 4.27Å; V196-L253 HydrophobicContact CG2-CD1 3.98Å; V196-L253 HydrophobicContact CG2-CD2 4.03Å
197T95.1Very high90.4Very high1 Ų130.9 Ų30.91%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-127.5139.6174.765.60000110.8L152 V183 D185 I186 V204 H205 F207L152-T197 HydrophobicContact CB-CG2 4.11Å; L152-T197 HydrophobicContact CD1-CG2 4.03Å; L152-T197 HydrophobicContact CD2-CG2 3.98Å; L152-T197 HydrophobicContact CG-CG2 4.26Å; V183-T197 HydrophobicContact CG1-CG2 4.3Å; D185-T197 WeakPolarHBondContact O-CA 3.36Å; I186-T197 HydrophobicContact CG1-CG2 4.29Å; I186-T197 HydrophobicContact CG2-CG2 4.44Å; T197-V204 WeakPolarHBondContact O-CA 3.39Å; T197-H205 PolarHBondContact N-O 3.2Å; T197-H205 PolarHBondContact O-N 2.88Å; T197-F207 HydrophobicContact CG2-CD2 4.19Å; T197-F207 HydrophobicContact CG2-CE2 4.12Å
198C94.1Very high90.2Very high0 Ų031.8 Ų31.80%016%0.161CC..EExtended strand (participates in β ladder)trans-97.8137.7168.3-85.60000110.3R184 D185 L227 L230 V241R184-C198 PolarHBondContact N-O 3.14Å; D185-C198 PolarHBondContact O-N 2.79Å; C198-L227 HydrophobicContact CB-CB 3.99Å; C198-L227 HydrophobicContact CB-CD1 4.23Å; C198-L230 HydrophobicContact CB-CB 4.31Å; C198-L230 HydrophobicContact CB-CD1 4.23Å; C198-L230 WeakPolarHBondContact SG-CD1 3.39Å; C198-V241 WeakPolarHBondContact SG-CG1 3.17Å
199T93.5Very high89.9Confident6 Ų632.1 Ų32.14%0.03717%0.165CC..EExtended strand (participates in β ladder)trans-105154.9176.9800000112.8W182 Y201 Q203 L227W182-T199 CarbonylContact O-C 3.57Å; W182-T199 WeakPolarHBondContact O-CA 3.28Å; W182-T199 WeakPolarHBondContact O-CB 3.33Å; T199-Y201 PolarHBondContact O-N 2.75Å; T199-Y201 PolarHBondContact OG1-N 3.34Å; T199-Q203 HydrophobicContact CG2-CB 4.28Å; T199-Q203 PolarHBondContact N-O 2.85Å; T199-Q203 WeakPolarHBondContact OG1-CB 3.44Å; T199-Q203 PolarHBondContact OG1-N 2.76Å; T199-Q203 PolarHBondContact OG1-O 2.89Å; T199-L227 WeakPolarHBondContact O-CB 3.32Å; T199-L227 PolarHBondContact O-N 2.84Å
200G92.5Very high89.7Confident7 Ų734.8 Ų34.87%0.07219%0.189CC..THydrogen-bonded Turntrans-67.1-4.7168.300000113.6W182 P226W182-G200 PolarHBondContact O-N 3.26Å; G200-P226 WeakPolarHBondContact O-CA 3.29Å; G200-P226 WeakPolarHBondContact O-CB 3.32Å; G200-P226 WeakPolarHBondContact O-CG 3.5Å
201Y91.9Very high89.9Confident86 Ų8635.3 Ų35.334%0.33719%0.191SC..THydrogen-bonded Turntrans-11144.5177.7-59.5-73.6000110.6P180 W182 T199 Q203P180-Y201 HydrophobicContact CB-CE2 3.7Å; P180-Y201 VanDerWaalsContact CB-OH 3.31Å; P180-Y201 WeakPolarHBondContact CB-OH 3.37Å; P180-Y201 HydrophobicContact CG-CD2 4.4Å; P180-Y201 HydrophobicContact CG-CE1 3.89Å; P180-Y201 HydrophobicContact CG-CE2 3.73Å; P180-Y201 VanDerWaalsContact CG-CZ 3.44Å; W182-Y201 HydrophobicContact CB-CD2 4.29Å; W182-Y201 HydrophobicContact CB-CE2 3.86Å; T199-Y201 PolarHBondContact O-N 2.75Å; T199-Y201 PolarHBondContact OG1-N 3.34Å; Y201-Q203 WeakPolarHBondContact O-CG 3.4Å; Y201-Q203 PolarHBondContact O-N 2.79Å
202H90.9Very high90.1Very high56 Ų5634.1 Ų34.126%0.25919%0.192SC..SBendtrans55.98.917359.7-90.5000117.2F222 G223 Y225H202-F222 PolarHBondContact O-N 3Å; H202-G223 WeakPolarHBondContact CB-O 3.31Å; H202-Y225 WeakPolarHBondContact CB-O 3.48Å
203Q92.1Very high90.5Very high22 Ų2238 Ų3810%0.10321%0.206CC..EExtended strand (participates in β ladder)trans-101.7146.2-177.1-69.9173-20.600111.7T199 Y201 H205 E219 A220 E221T199-Q203 HydrophobicContact CG2-CB 4.28Å; T199-Q203 PolarHBondContact N-O 2.85Å; T199-Q203 WeakPolarHBondContact OG1-CB 3.44Å; T199-Q203 PolarHBondContact OG1-N 2.76Å; T199-Q203 PolarHBondContact OG1-O 2.89Å; Y201-Q203 WeakPolarHBondContact O-CG 3.4Å; Y201-Q203 PolarHBondContact O-N 2.79Å; Q203-H205 PolarHBondContact OE1-NE2 3.13Å; Q203-E219 VanDerWaalsContact CD-OE1 3.29Å; Q203-E219 PolarHBondContact NE2-OE1 2.78Å; Q203-A220 CarbonylContact C-O 3.53Å; Q203-A220 WeakPolarHBondContact CA-O 3.49Å; Q203-E221 HydrophobicContact CG-CG 3.69Å; Q203-E221 PolarHBondContact NE2-OE1 3.4Å
204V94.3Very high90.8Very high3 Ų340 Ų402%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-117.3125.4171.1-176.10000107.4V196 T197 A220 L227 V241 L251V196-V204 HydrophobicContact CG1-CG1 3.47Å; V196-V204 VanDerWaalsContact CG1-CG1 3.47Å; T197-V204 WeakPolarHBondContact O-CA 3.39Å; V204-A220 HydrophobicContact CB-CB 4.46Å; V204-A220 PolarHBondContact N-O 2.84Å; V204-A220 PolarHBondContact O-N 3.21Å; V204-L227 HydrophobicContact CG2-CD1 3.55Å; V204-V241 HydrophobicContact CG2-CG1 3.92Å; V204-L251 HydrophobicContact CB-CD2 4.46Å; V204-L251 HydrophobicContact CG2-CD2 4.16Å
205H93.7Very high90.7Very high10 Ų1041 Ų415%0.04621%0.211CC..EExtended strand (participates in β ladder)trans-116.6138.7-179.6-63-44.5000110.4V196 T197 Q203 F207 P216 L218 E219V196-H205 CarbonylContact C-O 3.57Å; V196-H205 WeakPolarHBondContact CA-O 3.39Å; T197-H205 PolarHBondContact N-O 3.2Å; T197-H205 PolarHBondContact O-N 2.88Å; Q203-H205 PolarHBondContact OE1-NE2 3.13Å; H205-F207 HydrophobicContact CB-CD2 4.3Å; H205-F207 HydrophobicContact CB-CE2 3.55Å; H205-F207 HydrophobicContact CB-CZ 3.97Å; H205-P216 HydrophobicContact CB-CB 3.91Å; H205-L218 WeakPolarHBondContact CA-O 3.43Å; H205-E219 IonicContact CE1-OE1 3.16Å
206V93.7Very high90.5Very high10 Ų1042.2 Ų42.26%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-111.6125.5171.6-172.80000109I189 K194 V195 V196 P216 V217 L218 L253I189-V206 HydrophobicContact CD1-CG1 4.31Å; K194-V206 HydrophobicContact CB-CG1 4.33Å; K194-V206 HydrophobicContact CD-CG1 4.44Å; V195-V206 CarbonylContact O-C 3.54Å; V195-V206 WeakPolarHBondContact O-CA 3.34Å; V196-V206 HydrophobicContact CG1-CG2 4.4Å; V196-V206 HydrophobicContact CG2-CG2 4.2Å; V206-P216 CarbonylContact O-C 3.43Å; V206-P216 WeakPolarHBondContact O-CA 3.33Å; V206-V217 PolarHBondContact O-N 3.49Å; V206-L218 HydrophobicContact CB-CB 3.98Å; V206-L218 HydrophobicContact CG2-CB 3.97Å; V206-L218 HydrophobicContact CG2-CD2 3.94Å; V206-L218 HydrophobicContact CG2-CG 4.47Å; V206-L218 PolarHBondContact N-O 3.48Å; V206-L253 HydrophobicContact CG2-CD2 3.86Å
207F93.2Very high90.2Very high10 Ų1046 Ų464%0.04424%0.242CC..EExtended strand (participates in β ladder)trans-111.1143.8177.2-64.1-85.6000110.1L152 F165 A167 K194 V195 T197 H205 P216L152-F207 HydrophobicContact CD2-CB 3.97Å; L152-F207 HydrophobicContact CD2-CD2 3.62Å; L152-F207 HydrophobicContact CD2-CE2 4.34Å; L152-F207 HydrophobicContact CD2-CG 3.91Å; F165-F207 HydrophobicContact CE1-CB 4.26Å; F165-F207 HydrophobicContact CE1-CD1 4.21Å; F165-F207 HydrophobicContact CE1-CG 4.42Å; F165-F207 HydrophobicContact CZ-CB 4.39Å; F165-F207 HydrophobicContact CZ-CD1 4.19Å; A167-F207 HydrophobicContact CB-CD1 4.15Å; A167-F207 HydrophobicContact CB-CE1 3.68Å; A167-F207 HydrophobicContact CB-CZ 4Å; K194-F207 CarbonylContact C-O 3.59Å; K194-F207 VanDerWaalsContact CA-O 3.27Å; K194-F207 WeakPolarHBondContact CA-O 3.46Å; K194-F207 WeakPolarHBondContact CB-O 3.26Å; V195-F207 PolarHBondContact N-O 3.47Å; V195-F207 PolarHBondContact O-N 3.16Å; T197-F207 HydrophobicContact CG2-CD2 4.19Å; T197-F207 HydrophobicContact CG2-CE2 4.12Å; H205-F207 HydrophobicContact CB-CD2 4.3Å; H205-F207 HydrophobicContact CB-CE2 3.55Å; H205-F207 HydrophobicContact CB-CZ 3.97Å; F207-P216 HydrophobicContact CD1-CB 4.49Å; F207-P216 HydrophobicContact CE1-CB 4.03Å; F207-P216 HydrophobicContact CE1-CG 4.46Å; F207-P216 HydrophobicContact CZ-CB 4.12Å
208D91.1Very high90Very high27 Ų2748 Ų4814%0.14425%0.252CS..  trans-116.9100.5174.7-168.8-21.1000109.2K194 A210 T211 V217K194-D208 WeakPolarHBondContact CE-OD2 3.38Å; K194-D208 HydrophobicContact CG-CB 4.1Å; D208-A210 PolarHBondContact O-N 2.9Å; D208-A210 WeakPolarHBondContact OD1-CB 3.35Å; D208-A210 PolarHBondContact OD1-N 3Å; D208-A210 VanDerWaalsContact OD1-N 3.12Å; D208-T211 HydrophobicContact CB-CG2 4.2Å; D208-T211 PolarHBondContact O-N 2.94Å; D208-T211 PolarHBondContact O-OG1 3.13Å; D208-V217 HydrophobicContact CB-CG2 3.9Å
209P86.6Confident89.9Confident28 Ų2851.8 Ų51.818%0.18227%0.27CS..THydrogen-bonded Turntrans-72.2-16-176.831.3-34.8000113.2I154 F165 E193 T211I154-P209 HydrophobicContact CD1-CB 3.79Å; I154-P209 HydrophobicContact CD1-CG 4.04Å; F165-P209 HydrophobicContact CB-CB 4.31Å; F165-P209 HydrophobicContact CD2-CB 4.17Å; F165-P209 HydrophobicContact CG-CB 4.19Å; E193-P209 HydrophobicContact CB-CG 4.11Å; E193-P209 WeakPolarHBondContact O-CD 3.42Å; E193-P209 WeakPolarHBondContact O-CG 3.32Å; P209-T211 PolarHBondContact O-N 3.39Å
210A86Confident89.7Confident69 Ų6951.9 Ų51.957%0.5727%0.272SS*.THydrogen-bonded Turntrans-70.6-25.7173.600000111.2D208D208-A210 PolarHBondContact O-N 2.9Å; D208-A210 WeakPolarHBondContact OD1-CB 3.35Å; D208-A210 PolarHBondContact OD1-N 3Å; D208-A210 VanDerWaalsContact OD1-N 3.12Å
211T84.3Confident89.6Confident46 Ų4656.6 Ų56.628%0.28229%0.292SS..SBendtrans-88144.7175.470.60000111.2D208 P209 Q213D208-T211 HydrophobicContact CB-CG2 4.2Å; D208-T211 PolarHBondContact O-N 2.94Å; D208-T211 PolarHBondContact O-OG1 3.13Å; P209-T211 PolarHBondContact O-N 3.39Å; T211-Q213 PolarHBondContact O-N 2.87Å
212P80.3Confident89.5Confident129 Ų12952.7 Ų52.784%0.83828%0.276SS*.SBendtrans-68.4-3.5172.828.3-34.1000112.8R214P212-R214 PolarHBondContact O-N 2.88Å
213Q86.3Confident89.3Confident124 Ų12451.8 Ų51.858%0.57928%0.282SS*.  trans-71.8111.8176.1-64.9-167-0.400109.9T211 R215T211-Q213 PolarHBondContact O-N 2.87Å; Q213-R215 PolarHBondContact O-N 3.2Å
214R87.9Confident89.1Confident128 Ų12858.5 Ų58.548%0.48331%0.314SS..  trans-83.32.3178.5-63.3-177.7178-163.70.7113.8F165 T166 A167 K168 P212F165-R214 HydrophobicContact CE2-CG 4.3Å; T166-R214 WeakPolarHBondContact O-CD 3.42Å; A167-R214 CarbonylContact C-O 3.6Å; A167-R214 WeakPolarHBondContact CA-O 3.39Å; K168-R214 HydrophobicContact CB-CB 4Å; K168-R214 HydrophobicContact CD-CB 4.25Å; K168-R214 HydrophobicContact CG-CB 3.83Å; K168-R214 PolarHBondContact N-O 3.05Å; P212-R214 PolarHBondContact O-N 2.88Å
215R89.1Confident89Confident98 Ų9863.5 Ų63.537%0.3733%0.333SS..SBendtrans-103.6158.8-177.4-77.3-177.5173.4-172.4-3110K168 Q213 V217K168-R215 HydrophobicContact CB-CG 4.41Å; Q213-R215 PolarHBondContact O-N 3.2Å; R215-V217 PolarHBondContact O-N 3.37Å
216P89.2Confident89Confident26 Ų2665.7 Ų65.717%0.16935%0.348CS..  trans-62.3134.7178.227.1-35.3000110.7L170 H205 V206 F207L170-P216 HydrophobicContact CD1-CG 4.05Å; L170-P216 HydrophobicContact CD2-CG 4.44Å; L170-P216 HydrophobicContact CG-CG 4.06Å; H205-P216 HydrophobicContact CB-CB 3.91Å; V206-P216 CarbonylContact O-C 3.43Å; V206-P216 WeakPolarHBondContact O-CA 3.33Å; F207-P216 HydrophobicContact CD1-CB 4.49Å; F207-P216 HydrophobicContact CE1-CB 4.03Å; F207-P216 HydrophobicContact CE1-CG 4.46Å; F207-P216 HydrophobicContact CZ-CB 4.12Å
217V89.3Confident89Confident80 Ų8065.2 Ų65.249%0.48535%0.345SS..SBendtrans-76.4-33173.9-179.10000110.3V206 D208 R215V206-V217 PolarHBondContact O-N 3.49Å; D208-V217 HydrophobicContact CB-CG2 3.9Å; R215-V217 PolarHBondContact O-N 3.37Å
218L90Very high89Confident42 Ų4266 Ų6622%0.2235%0.351CS..EExtended strand (participates in β ladder)trans-133.3136.2176.2-176.873.4000109.7H205 V206 L253H205-L218 WeakPolarHBondContact CA-O 3.43Å; V206-L218 HydrophobicContact CB-CB 3.98Å; V206-L218 HydrophobicContact CG2-CB 3.97Å; V206-L218 HydrophobicContact CG2-CD2 3.94Å; V206-L218 HydrophobicContact CG2-CG 4.47Å; V206-L218 PolarHBondContact N-O 3.48Å; L218-L253 WeakPolarHBondContact CD2-O 3.43Å
219E91.3Very high89.1Confident80 Ų8064.7 Ų64.737%0.37434%0.344SS..EExtended strand (participates in β ladder)trans-119.9126.6169.6-179.1172.3-165.100107.7L170 Q203 H205L170-E219 WeakPolarHBondContact CD2-OE1 3.47Å; L170-E219 VanDerWaalsContact CD2-OE2 3.25Å; L170-E219 WeakPolarHBondContact CD2-OE2 3.3Å; Q203-E219 VanDerWaalsContact CD-OE1 3.29Å; Q203-E219 PolarHBondContact NE2-OE1 2.78Å; H205-E219 IonicContact CE1-OE1 3.16Å
220A90.9Very high89.5Confident8 Ų863.5 Ų63.57%0.06634%0.336CS..EExtended strand (participates in β ladder)trans-132.1143.7175.600000109.1Q203 V204 L251 G256Q203-A220 CarbonylContact C-O 3.53Å; Q203-A220 WeakPolarHBondContact CA-O 3.49Å; V204-A220 HydrophobicContact CB-CB 4.46Å; V204-A220 PolarHBondContact N-O 2.84Å; V204-A220 PolarHBondContact O-N 3.21Å; A220-L251 HydrophobicContact CB-CD2 3.74Å; A220-G256 WeakPolarHBondContact CB-O 3.11Å
221E90.8Very high89.9Confident107 Ų10760.6 Ų60.650%0.531%0.312SS..EExtended strand (participates in β ladder)trans-115.9141.5-178.1-75.9175.5178.200110.4Q203Q203-E221 HydrophobicContact CG-CG 3.69Å; Q203-E221 PolarHBondContact NE2-OE1 3.4Å
222F89.3Confident90.3Very high3 Ų359.8 Ų59.81%0.01331%0.306CS..  trans-133.6102176.9178.3-109.9000112.4H202 L227 V241 D247 A249 L251 V258 R261H202-F222 PolarHBondContact O-N 3Å; F222-L227 HydrophobicContact CD1-CD2 3.91Å; F222-V241 HydrophobicContact CB-CG2 4.35Å; F222-V241 HydrophobicContact CD1-CG2 3.87Å; F222-V241 HydrophobicContact CG-CG2 4.17Å; F222-D247 HydrophobicContact CE1-CB 4.13Å; F222-D247 HydrophobicContact CZ-CB 4.11Å; F222-A249 HydrophobicContact CD1-CB 4.09Å; F222-A249 HydrophobicContact CD2-CB 3.67Å; F222-A249 HydrophobicContact CE1-CB 3.69Å; F222-A249 HydrophobicContact CE2-CB 3.23Å; F222-A249 HydrophobicContact CG-CB 4.1Å; F222-A249 HydrophobicContact CZ-CB 3.26Å; F222-L251 HydrophobicContact CB-CD1 4.37Å; F222-L251 HydrophobicContact CD2-CD1 4.44Å; F222-L251 HydrophobicContact CG-CD1 4.47Å; F222-V258 HydrophobicContact CD2-CG1 4.29Å; F222-V258 HydrophobicContact CD2-CG2 3.92Å; F222-V258 HydrophobicContact CE2-CG1 4.31Å; F222-R261 HydrophobicContact CE2-CG 4.21Å; F222-R261 HydrophobicContact CZ-CG 4.36Å
223G86.4Confident90.7Very high37 Ų3754.7 Ų54.738%0.38127%0.272SS..SBendtrans67-162.9177.600000112.4H202H202-G223 WeakPolarHBondContact CB-O 3.31Å
224E87.4Confident90.5Very high164 Ų16450.8 Ų50.877%0.76626%0.261SS*.SBendtrans-110.2-9.9-175.2-61.7176.6175.900112.3
225Y92.8Very high90.1Very high108 Ų10847.7 Ų47.742%0.42427%0.269SS..SBendtrans-96.2149.3-173.8-60.2-66.7000112.3H202 L227 Q245H202-Y225 WeakPolarHBondContact CB-O 3.48Å; Y225-L227 PolarHBondContact O-N 2.77Å; Y225-Q245 HydrophobicContact CD1-CG 3.85Å; Y225-Q245 HydrophobicContact CD2-CB 4.31Å; Y225-Q245 HydrophobicContact CD2-CG 3.75Å; Y225-Q245 HydrophobicContact CE1-CG 3.95Å; Y225-Q245 HydrophobicContact CE2-CG 3.84Å; Y225-Q245 HydrophobicContact CG-CG 3.75Å
226P92.6Very high89.7Confident56 Ų5643.5 Ų43.536%0.36426%0.257SS..PPolyproline II helixtrans-54.3136.3176.7-27.635.6000113G200 N243 T244G200-P226 WeakPolarHBondContact O-CA 3.29Å; G200-P226 WeakPolarHBondContact O-CB 3.32Å; G200-P226 WeakPolarHBondContact O-CG 3.5Å; P226-N243 VanDerWaalsContact O-CA 3.32Å; P226-N243 WeakPolarHBondContact O-CA 3.47Å; P226-N243 WeakPolarHBondContact O-CB 3.27Å; P226-T244 PolarHBondContact O-N 2.91Å; P226-T244 PolarHBondContact O-OG1 2.79Å
227L94.6Very high89.6Confident0 Ų043.5 Ų43.50%026%0.262CS..EExtended strand (participates in β ladder)trans-81.9136.5170.7-53.4178.5000109.3R184 C198 T199 V204 F222 Y225 V241 G242 N243R184-L227 WeakPolarHBondContact CB-O 3.44Å; R184-L227 WeakPolarHBondContact CG-O 3.39Å; C198-L227 HydrophobicContact CB-CB 3.99Å; C198-L227 HydrophobicContact CB-CD1 4.23Å; T199-L227 WeakPolarHBondContact O-CB 3.32Å; T199-L227 PolarHBondContact O-N 2.84Å; V204-L227 HydrophobicContact CG2-CD1 3.55Å; F222-L227 HydrophobicContact CD1-CD2 3.91Å; Y225-L227 PolarHBondContact O-N 2.77Å; L227-V241 HydrophobicContact CD1-CB 4.41Å; L227-V241 HydrophobicContact CD2-CB 4.46Å; L227-V241 HydrophobicContact CD2-CG2 4.4Å; L227-G242 WeakPolarHBondContact CA-O 3.03Å; L227-N243 HydrophobicContact CD2-CB 4.35Å
228T93.4Very high89.7Confident26 Ų2640.2 Ų40.216%0.1624%0.242CC..EExtended strand (participates in β ladder)trans-114.8-33-172.8490000113G242 T244 V269T228-G242 PolarHBondContact N-O 2.94Å; T228-G242 PolarHBondContact OG1-O 3.41Å; T228-T244 WeakPolarHBondContact CG2-OG1 3.41Å; T228-V269 VanDerWaalsContact CB-O 3.22Å; T228-V269 WeakPolarHBondContact CB-O 3.22Å; T228-V269 PolarHBondContact OG1-O 3.26Å
229A92.9Very high89.8Confident0 Ų038.2 Ų38.20%023%0.232CC..EExtended strand (participates in β ladder)trans-141.4151.8-175.800000111.3G242 V269 L272A229-G242 PolarHBondContact O-N 2.73Å; A229-V269 HydrophobicContact CB-CG1 4.44Å; A229-L272 HydrophobicContact CB-CB 4.28Å; A229-L272 HydrophobicContact CB-CD1 4.08Å; A229-L272 HydrophobicContact CB-CG 4.1Å
230L94.9Very high90Very high3 Ų334.4 Ų34.42%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-136.7141.3178.6-179.4145.5000110.2D185 V196 C198 L232 V239 V240D185-L230 HydrophobicContact CB-CB 3.9Å; D185-L230 PolarHBondContact OD2-N 3.39Å; V196-L230 HydrophobicContact CB-CD1 4.17Å; V196-L230 HydrophobicContact CG1-CD1 3.67Å; C198-L230 HydrophobicContact CB-CB 4.31Å; C198-L230 HydrophobicContact CB-CD1 4.23Å; C198-L230 WeakPolarHBondContact SG-CD1 3.39Å; L230-L232 HydrophobicContact CD2-CG 4.18Å; L230-V239 HydrophobicContact CD1-CG2 3.58Å; L230-V239 HydrophobicContact CD2-CG2 3.97Å; L230-V239 HydrophobicContact CG-CG2 3.51Å; L230-V240 WeakPolarHBondContact CA-O 3.28Å
231A93.8Very high90.2Very high8 Ų834 Ų347%0.06621%0.211CC..EExtended strand (participates in β ladder)trans-140.3139.4168.900000110.6V239 V240 L272A231-V239 WeakPolarHBondContact O-CG2 3.39Å; A231-V240 PolarHBondContact N-O 3.35Å; A231-V240 PolarHBondContact O-N 2.92Å; A231-L272 HydrophobicContact CB-CB 3.83Å
232L92.4Very high90.4Very high29 Ų2928.9 Ų28.915%0.15219%0.187CC..EExtended strand (participates in β ladder)trans-96.2143.8177.9-73.5162.8000110.9F188 I189 V196 L230 V239 L253 C274F188-L232 WeakPolarHBondContact O-CD1 3.34Å; I189-L232 HydrophobicContact CG1-CD1 4.24Å; I189-L232 HydrophobicContact CG1-CD2 4.21Å; V196-L232 HydrophobicContact CG2-CD2 4Å; L230-L232 HydrophobicContact CD2-CG 4.18Å; L232-V239 HydrophobicContact CD2-CB 3.89Å; L232-V239 HydrophobicContact CD2-CG2 3.86Å; L232-V239 HydrophobicContact CG-CG2 4.43Å; L232-L253 HydrophobicContact CD2-CD1 3.87Å; L232-C274 WeakPolarHBondContact O-CB 3.41Å; L232-C274 PolarHBondContact O-SG 3.25Å
233T89.9Confident90.6Very high21 Ų2128.8 Ų28.813%0.12919%0.187CC..  trans-76.2151.6175.660.50000111G235 G236 A238 V240 L295T233-G235 PolarHBondContact O-N 3.38Å; T233-G236 PolarHBondContact O-N 3Å; T233-A238 HydrophobicContact CG2-CB 3.95Å; T233-A238 WeakPolarHBondContact CG2-O 3.42Å; T233-A238 PolarHBondContact N-O 3.03Å; T233-A238 VanDerWaalsContact N-O 3.1Å; T233-A238 PolarHBondContact OG1-N 3Å; T233-A238 PolarHBondContact OG1-O 2.59Å; T233-V240 HydrophobicContact CG2-CG2 4.36Å; T233-L295 HydrophobicContact CG2-CD1 3.67Å
234A81.6Confident90.9Very high42 Ų4229.9 Ų29.935%0.34719%0.186SC..THydrogen-bonded Turntrans-51.4-40.6-179.700000113.6G236 A276A234-G236 VanDerWaalsContact C-N 3.27Å; A234-G236 PolarHBondContact O-N 3.18Å; A234-A276 WeakPolarHBondContact CB-O 3.49Å
235G79.4Confident91.1Very high63 Ų6327.2 Ų27.265%0.64917%0.173SC*.THydrogen-bonded Turntrans-81.78.1-179.500000115.4T233 G237T233-G235 PolarHBondContact O-N 3.38Å; G235-G237 PolarHBondContact O-N 3.18Å
236G81.2Confident90.9Very high11 Ų1122.2 Ų22.211%0.11316%0.155CC..SBendtrans66.1-11.217400000116.9I189 T233 A234I189-G236 WeakPolarHBondContact CG2-O 3.35Å; T233-G236 PolarHBondContact O-N 3Å; A234-G236 VanDerWaalsContact C-N 3.27Å; A234-G236 PolarHBondContact O-N 3.18Å
237G86.1Confident90.9Very high26 Ų2622.3 Ų22.327%0.26815%0.153SC..SBendtrans-85.4-11.4-174.900000115.4G235 L253G235-G237 PolarHBondContact O-N 3.18Å; G237-L253 PolarHBondContact O-N 2.95Å
238A91.2Very high90.9Very high10 Ų1022.5 Ų22.58%0.08315%0.154CC..EExtended strand (participates in β ladder)trans-140153.8-178.700000112.3T233 V250 L251T233-A238 HydrophobicContact CG2-CB 3.95Å; T233-A238 WeakPolarHBondContact CG2-O 3.42Å; T233-A238 PolarHBondContact N-O 3.03Å; T233-A238 VanDerWaalsContact N-O 3.1Å; T233-A238 PolarHBondContact OG1-N 3Å; T233-A238 PolarHBondContact OG1-O 2.59Å; A238-V250 HydrophobicContact CB-CG1 4.15Å; A238-L251 CarbonylContact C-O 3.55Å; A238-L251 WeakPolarHBondContact CA-O 3.19Å; A238-L251 WeakPolarHBondContact CB-O 3.38Å
239V93.9Very high90.9Very high0 Ų021.3 Ų21.30%015%0.146CC..EExtended strand (participates in β ladder)trans-124.7141.6176.967.50000110.2V196 L230 A231 L232 V241 V250 L251 L253V196-V239 HydrophobicContact CG1-CG2 4.4Å; L230-V239 HydrophobicContact CD1-CG2 3.58Å; L230-V239 HydrophobicContact CD2-CG2 3.97Å; L230-V239 HydrophobicContact CG-CG2 3.51Å; A231-V239 WeakPolarHBondContact O-CG2 3.39Å; L232-V239 HydrophobicContact CD2-CB 3.89Å; L232-V239 HydrophobicContact CD2-CG2 3.86Å; L232-V239 HydrophobicContact CG-CG2 4.43Å; V239-V241 HydrophobicContact CG1-CG1 4.34Å; V239-V241 HydrophobicContact CG2-CG1 4.23Å; V239-V250 CarbonylContact O-C 3.18Å; V239-V250 WeakPolarHBondContact O-CA 3.41Å; V239-L251 HydrophobicContact CG1-CB 3.72Å; V239-L251 PolarHBondContact N-O 3.32Å; V239-L251 PolarHBondContact O-N 2.82Å; V239-L253 HydrophobicContact CB-CD1 4.29Å; V239-L253 HydrophobicContact CB-CD2 4.07Å; V239-L253 HydrophobicContact CB-CG 4.27Å; V239-L253 HydrophobicContact CG1-CD2 3.65Å; V239-L253 HydrophobicContact CG1-CG 4.18Å
240V94.9Very high91Very high0 Ų021.8 Ų21.80%015%0.149CC..EExtended strand (participates in β ladder)trans-104.3127.5172.1-1690000108.7L230 A231 T233 V248 A249 V250 L272 V281 L295L230-V240 WeakPolarHBondContact CA-O 3.28Å; A231-V240 PolarHBondContact N-O 3.35Å; A231-V240 PolarHBondContact O-N 2.92Å; T233-V240 HydrophobicContact CG2-CG2 4.36Å; V240-V248 HydrophobicContact CG1-CG1 3.38Å; V240-A249 CarbonylContact C-O 3.58Å; V240-A249 VanDerWaalsContact CA-O 3.28Å; V240-A249 WeakPolarHBondContact CA-O 3.49Å; V240-V250 HydrophobicContact CG2-CG2 4.25Å; V240-L272 HydrophobicContact CG1-CD1 4.3Å; V240-V281 HydrophobicContact CB-CG2 4.4Å; V240-V281 HydrophobicContact CG1-CG2 4.15Å; V240-V281 HydrophobicContact CG2-CG2 4.32Å; V240-L295 HydrophobicContact CG2-CD2 3.77Å
241V95.3Very high90.9Very high0 Ų021.8 Ų21.80%015%0.149CC..EExtended strand (participates in β ladder)trans-122.2143.4-179.1-59.80000110.3C198 V204 F222 L227 V239 V248 A249 L251C198-V241 WeakPolarHBondContact SG-CG1 3.17Å; V204-V241 HydrophobicContact CG2-CG1 3.92Å; F222-V241 HydrophobicContact CB-CG2 4.35Å; F222-V241 HydrophobicContact CD1-CG2 3.87Å; F222-V241 HydrophobicContact CG-CG2 4.17Å; L227-V241 HydrophobicContact CD1-CB 4.41Å; L227-V241 HydrophobicContact CD2-CB 4.46Å; L227-V241 HydrophobicContact CD2-CG2 4.4Å; V239-V241 HydrophobicContact CG1-CG1 4.34Å; V239-V241 HydrophobicContact CG2-CG1 4.23Å; V241-V248 CarbonylContact O-C 3.58Å; V241-V248 VanDerWaalsContact O-CA 3.29Å; V241-V248 WeakPolarHBondContact O-CA 3.42Å; V241-A249 HydrophobicContact CG2-CB 4.27Å; V241-A249 PolarHBondContact N-O 2.79Å; V241-A249 PolarHBondContact O-N 2.83Å; V241-L251 HydrophobicContact CG2-CD1 4.01Å
242G94.5Very high90.8Very high0 Ų022.3 Ų22.30%015%0.151CC..EExtended strand (participates in β ladder)trans-122.8145.5177.700000111.3L227 T228 A229 D247 L272L227-G242 WeakPolarHBondContact CA-O 3.03Å; T228-G242 PolarHBondContact N-O 2.94Å; T228-G242 PolarHBondContact OG1-O 3.41Å; A229-G242 PolarHBondContact O-N 2.73Å; G242-D247 WeakPolarHBondContact CA-O 3.18Å; G242-L272 VanDerWaalsContact N-CD1 3.35Å
243N94Very high90.6Very high1 Ų122.1 Ų22.11%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-110.1176.517977.77.9000113.3P226 L227 Q245 G246 D247 V269P226-N243 VanDerWaalsContact O-CA 3.32Å; P226-N243 WeakPolarHBondContact O-CA 3.47Å; P226-N243 WeakPolarHBondContact O-CB 3.27Å; L227-N243 HydrophobicContact CD2-CB 4.35Å; N243-Q245 VanDerWaalsContact C-N 3.28Å; N243-Q245 PolarHBondContact O-N 3.03Å; N243-Q245 WeakPolarHBondContact OD1-CA 2.95Å; N243-Q245 PolarHBondContact OD1-N 2.99Å; N243-G246 PolarHBondContact OD1-N 2.94Å; N243-D247 PolarHBondContact N-O 2.88Å; N243-D247 VanDerWaalsContact ND2-CB 3.32Å; N243-D247 WeakPolarHBondContact ND2-CB 3.4Å; N243-D247 PolarHBondContact ND2-OD2 3.49Å; N243-D247 PolarHBondContact OD1-N 2.9Å; N243-D247 PolarHBondContact OD1-O 3.28Å; N243-V269 PolarHBondContact O-N 3.07Å; N243-V269 VanDerWaalsContact O-N 3.07Å
244T92.8Very high90.5Very high60 Ų6030.4 Ų30.437%0.36818%0.179SC..THydrogen-bonded Turntrans-69.1-17.7177.1-52.30000114.5P226 T228 G268P226-T244 PolarHBondContact O-N 2.91Å; P226-T244 PolarHBondContact O-OG1 2.79Å; T228-T244 WeakPolarHBondContact CG2-OG1 3.41Å; T244-G268 VanDerWaalsContact C-CA 3.44Å; T244-G268 WeakPolarHBondContact O-CA 3.46Å; T244-G268 PolarHBondContact O-N 3.33Å; T244-G268 VanDerWaalsContact O-N 3.14Å
245Q90.4Very high90.7Very high107 Ų10735.7 Ų35.750%0.519%0.194SC..THydrogen-bonded Turntrans-94.6-12.6179.8-65.5-58.3-31.500113.7Y225 N243 G267Y225-Q245 HydrophobicContact CD1-CG 3.85Å; Y225-Q245 HydrophobicContact CD2-CB 4.31Å; Y225-Q245 HydrophobicContact CD2-CG 3.75Å; Y225-Q245 HydrophobicContact CE1-CG 3.95Å; Y225-Q245 HydrophobicContact CE2-CG 3.84Å; Y225-Q245 HydrophobicContact CG-CG 3.75Å; N243-Q245 VanDerWaalsContact C-N 3.28Å; N243-Q245 PolarHBondContact O-N 3.03Å; N243-Q245 WeakPolarHBondContact OD1-CA 2.95Å; N243-Q245 PolarHBondContact OD1-N 2.99Å; Q245-G267 PolarHBondContact O-N 2.87Å
246G89.4Confident91Very high3 Ų333.4 Ų33.43%0.03117%0.171CC..SBendtrans1042.1-177.300000114.6N243 V248 A265 G267N243-G246 PolarHBondContact OD1-N 2.94Å; G246-V248 PolarHBondContact O-N 2.87Å; G246-A265 WeakPolarHBondContact O-CB 3.34Å; G246-G267 WeakPolarHBondContact CA-O 3.44Å; G246-G267 PolarHBondContact N-O 3.02Å
247D92.6Very high91.5Very high59 Ų5938.1 Ų38.132%0.31619%0.192SC..  trans-71.4131.4169.4-54.5-66.7000109.9F222 G242 N243F222-D247 HydrophobicContact CE1-CB 4.13Å; F222-D247 HydrophobicContact CZ-CB 4.11Å; G242-D247 WeakPolarHBondContact CA-O 3.18Å; N243-D247 PolarHBondContact N-O 2.88Å; N243-D247 VanDerWaalsContact ND2-CB 3.32Å; N243-D247 WeakPolarHBondContact ND2-CB 3.4Å; N243-D247 PolarHBondContact ND2-OD2 3.49Å; N243-D247 PolarHBondContact OD1-N 2.9Å; N243-D247 PolarHBondContact OD1-O 3.28Å
248V94.4Very high91.7Very high4 Ų439.9 Ų39.92%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-117.9132.7170.9-1790000107.9V240 V241 G246 R261 L262 V269 L272V240-V248 HydrophobicContact CG1-CG1 3.38Å; V241-V248 CarbonylContact O-C 3.58Å; V241-V248 VanDerWaalsContact O-CA 3.29Å; V241-V248 WeakPolarHBondContact O-CA 3.42Å; G246-V248 PolarHBondContact O-N 2.87Å; V248-R261 CarbonylContact O-C 3.59Å; V248-R261 WeakPolarHBondContact O-CA 3.2Å; V248-L262 HydrophobicContact CB-CB 4.14Å; V248-L262 HydrophobicContact CG1-CB 4.32Å; V248-L262 HydrophobicContact CG1-CD1 3.86Å; V248-L262 HydrophobicContact CG1-CG 4.42Å; V248-L262 PolarHBondContact O-N 3.05Å; V248-V269 HydrophobicContact CG2-CG2 3.72Å; V248-L272 HydrophobicContact CG1-CD1 4.38Å; V248-L272 HydrophobicContact CG1-CD2 4.14Å; V248-L272 HydrophobicContact CG2-CD2 4.35Å
249A93.4Very high91.6Very high0 Ų047.5 Ų47.50%023%0.225CC..EExtended strand (participates in β ladder)trans-132.9150.7179.200000112.6F222 V240 V241 L251 V258 G260 R261F222-A249 HydrophobicContact CD1-CB 4.09Å; F222-A249 HydrophobicContact CD2-CB 3.67Å; F222-A249 HydrophobicContact CE1-CB 3.69Å; F222-A249 HydrophobicContact CE2-CB 3.23Å; F222-A249 HydrophobicContact CG-CB 4.1Å; F222-A249 HydrophobicContact CZ-CB 3.26Å; V240-A249 CarbonylContact C-O 3.58Å; V240-A249 VanDerWaalsContact CA-O 3.28Å; V240-A249 WeakPolarHBondContact CA-O 3.49Å; V241-A249 HydrophobicContact CG2-CB 4.27Å; V241-A249 PolarHBondContact N-O 2.79Å; V241-A249 PolarHBondContact O-N 2.83Å; A249-L251 HydrophobicContact CB-CD1 4.21Å; A249-V258 HydrophobicContact CB-CG1 4.17Å; A249-G260 CarbonylContact C-O 3.43Å; A249-G260 WeakPolarHBondContact CA-O 3.49Å; A249-R261 HydrophobicContact CB-CG 4.3Å
250V94.2Very high91.3Very high11 Ų1148 Ų487%0.06723%0.23CC..EExtended strand (participates in β ladder)trans-103.8119.7174.2-172.50000107.7A238 V239 V240 R259 G260 L262 L295A238-V250 HydrophobicContact CB-CG1 4.15Å; V239-V250 CarbonylContact O-C 3.18Å; V239-V250 WeakPolarHBondContact O-CA 3.41Å; V240-V250 HydrophobicContact CG2-CG2 4.25Å; V250-R259 PolarHBondContact O-N 2.83Å; V250-G260 PolarHBondContact N-O 2.84Å; V250-G260 PolarHBondContact O-N 3.32Å; V250-L262 HydrophobicContact CG2-CD1 4.45Å; V250-L262 HydrophobicContact CG2-CG 4.44Å; V250-L295 HydrophobicContact CG2-CD2 3.91Å
251L93.6Very high91.1Very high3 Ų354.2 Ų54.22%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-106.5139.4175.1-91.168.6000110.3V204 A220 F222 A238 V239 V241 A249 L257 V258V204-L251 HydrophobicContact CB-CD2 4.46Å; V204-L251 HydrophobicContact CG2-CD2 4.16Å; A220-L251 HydrophobicContact CB-CD2 3.74Å; F222-L251 HydrophobicContact CB-CD1 4.37Å; F222-L251 HydrophobicContact CD2-CD1 4.44Å; F222-L251 HydrophobicContact CG-CD1 4.47Å; A238-L251 CarbonylContact C-O 3.55Å; A238-L251 WeakPolarHBondContact CA-O 3.19Å; A238-L251 WeakPolarHBondContact CB-O 3.38Å; V239-L251 HydrophobicContact CG1-CB 3.72Å; V239-L251 PolarHBondContact N-O 3.32Å; V239-L251 PolarHBondContact O-N 2.82Å; V241-L251 HydrophobicContact CG2-CD1 4.01Å; A249-L251 HydrophobicContact CB-CD1 4.21Å; L251-L257 WeakPolarHBondContact CA-O 3.28Å; L251-V258 HydrophobicContact CD1-CB 4.31Å; L251-V258 HydrophobicContact CD1-CG1 4.27Å; L251-V258 HydrophobicContact CD1-CG2 3.83Å; L251-V258 HydrophobicContact CG-CG2 4.16Å
252D92.2Very high90.9Very high18 Ų1854.5 Ų54.510%0.09626%0.255CS..EExtended strand (participates in β ladder)trans-86.2121.9169.6-169.6-29.2000109.5R254 G256 L257D252-R254 VanDerWaalsContact C-N 3.28Å; D252-R254 PolarHBondContact O-N 3.06Å; D252-R254 WeakPolarHBondContact OD1-CB 3.47Å; D252-R254 PolarHBondContact OD1-N 3.17Å; D252-R254 IonicContact OD1-NE 2.72Å; D252-R254 IonicContact OD2-NH2 2.77Å; D252-G256 WeakPolarHBondContact O-CA 3.33Å; D252-G256 PolarHBondContact O-N 2.96Å; D252-L257 PolarHBondContact N-O 2.92Å; D252-L257 PolarHBondContact O-N 2.94Å
253L88.3Confident90.5Very high25 Ų2563.2 Ų63.213%0.13129%0.292CS..THydrogen-bonded Turntrans-76.3-14.3-176-66.7172.7000113.1I189 V196 V206 L218 L232 G237 V239I189-L253 HydrophobicContact CD1-CD1 3.71Å; I189-L253 HydrophobicContact CG1-CD1 4.22Å; V196-L253 HydrophobicContact CG1-CD2 4.27Å; V196-L253 HydrophobicContact CG2-CD1 3.98Å; V196-L253 HydrophobicContact CG2-CD2 4.03Å; V206-L253 HydrophobicContact CG2-CD2 3.86Å; L218-L253 WeakPolarHBondContact CD2-O 3.43Å; L232-L253 HydrophobicContact CD2-CD1 3.87Å; G237-L253 PolarHBondContact O-N 2.95Å; V239-L253 HydrophobicContact CB-CD1 4.29Å; V239-L253 HydrophobicContact CB-CD2 4.07Å; V239-L253 HydrophobicContact CB-CG 4.27Å; V239-L253 HydrophobicContact CG1-CD2 3.65Å; V239-L253 HydrophobicContact CG1-CG 4.18Å
254R87Confident90Very high196 Ų19665.6 Ų65.674%0.7432%0.318SS*.THydrogen-bonded Turntrans-78.8-34.8177-69.2176.2-69.9172.6-6112.3D252D252-R254 VanDerWaalsContact C-N 3.28Å; D252-R254 PolarHBondContact O-N 3.06Å; D252-R254 WeakPolarHBondContact OD1-CB 3.47Å; D252-R254 PolarHBondContact OD1-N 3.17Å; D252-R254 IonicContact OD1-NE 2.72Å; D252-R254 IonicContact OD2-NH2 2.77Å
255K85.9Confident89.6Confident152 Ų15263.9 Ų63.966%0.66131%0.309SS*.THydrogen-bonded Turntrans-108.6-16.3-176.2-63-174.5179.9-177.80113.3L257K255-L257 HydrophobicContact CB-CB 4.28Å; K255-L257 HydrophobicContact CB-CD1 3.96Å; K255-L257 HydrophobicContact CB-CG 3.98Å; K255-L257 HydrophobicContact CD-CD1 4.22Å; K255-L257 PolarHBondContact O-N 2.86Å
256G86.8Confident89.3Confident16 Ų1662.6 Ų62.617%0.16532%0.317CS..THydrogen-bonded Turntrans67.624.3-171.500000113.3A220 D252A220-G256 WeakPolarHBondContact CB-O 3.11Å; D252-G256 WeakPolarHBondContact O-CA 3.33Å; D252-G256 PolarHBondContact O-N 2.96Å
257L89.6Confident89.3Confident109 Ų10963.5 Ų63.557%0.57133%0.326SS*.EExtended strand (participates in β ladder)trans-107.5145.5-175.3-67.6174.8000111.6L251 D252 K255 R259L251-L257 WeakPolarHBondContact CA-O 3.28Å; D252-L257 PolarHBondContact N-O 2.92Å; D252-L257 PolarHBondContact O-N 2.94Å; K255-L257 HydrophobicContact CB-CB 4.28Å; K255-L257 HydrophobicContact CB-CD1 3.96Å; K255-L257 HydrophobicContact CB-CG 3.98Å; K255-L257 HydrophobicContact CD-CD1 4.22Å; K255-L257 PolarHBondContact O-N 2.86Å; L257-R259 PolarHBondContact O-N 2.81Å
258V91.3Very high89.2Confident63 Ų6361 Ų6138%0.38231%0.314SS..EExtended strand (participates in β ladder)trans-72.3113.5173.6-173.10000109.1F222 A249 L251F222-V258 HydrophobicContact CD2-CG1 4.29Å; F222-V258 HydrophobicContact CD2-CG2 3.92Å; F222-V258 HydrophobicContact CE2-CG1 4.31Å; A249-V258 HydrophobicContact CB-CG1 4.17Å; L251-V258 HydrophobicContact CD1-CB 4.31Å; L251-V258 HydrophobicContact CD1-CG1 4.27Å; L251-V258 HydrophobicContact CD1-CG2 3.83Å; L251-V258 HydrophobicContact CG-CG2 4.16Å
259R88.7Confident89.2Confident171 Ų17161 Ų6165%0.64531%0.314SS*.EExtended strand (participates in β ladder)trans-81.4-29.2179.2-163.4176.2178.1164.3-3.3112.2V250 L257 R298V250-R259 PolarHBondContact O-N 2.83Å; L257-R259 PolarHBondContact O-N 2.81Å; R259-R298 PolarHBondContact O-NH1 3.18Å
260G87.7Confident89.1Confident10 Ų1065.1 Ų65.110%0.10333%0.33CS..EExtended strand (participates in β ladder)trans178.9165.5176.100000113.8A249 V250A249-G260 CarbonylContact C-O 3.43Å; A249-G260 WeakPolarHBondContact CA-O 3.49Å; V250-G260 PolarHBondContact N-O 2.84Å; V250-G260 PolarHBondContact O-N 3.32Å
261R91.3Very high89.1Confident131 Ų13165 Ų6549%0.49433%0.33SS..EExtended strand (participates in β ladder)trans-110.7140173.5-63.2-174.9-176.1-146.61.1110.2F222 V248 A249F222-R261 HydrophobicContact CE2-CG 4.21Å; F222-R261 HydrophobicContact CZ-CG 4.36Å; V248-R261 CarbonylContact O-C 3.59Å; V248-R261 WeakPolarHBondContact O-CA 3.2Å; A249-R261 HydrophobicContact CB-CG 4.3Å
262L91Very high89.1Confident6 Ų665.2 Ų65.23%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-96.7117.9172.6-57.8176.5000108.1V248 V250 V281 H293 R298V248-L262 HydrophobicContact CB-CB 4.14Å; V248-L262 HydrophobicContact CG1-CB 4.32Å; V248-L262 HydrophobicContact CG1-CD1 3.86Å; V248-L262 HydrophobicContact CG1-CG 4.42Å; V248-L262 PolarHBondContact O-N 3.05Å; V250-L262 HydrophobicContact CG2-CD1 4.45Å; V250-L262 HydrophobicContact CG2-CG 4.44Å; L262-V281 HydrophobicContact CD1-CG1 3.5Å; L262-V281 VanDerWaalsContact CD1-CG1 3.5Å; L262-H293 HydrophobicContact CD1-CB 4.09Å; L262-H293 HydrophobicContact CD2-CB 4.24Å; L262-R298 HydrophobicContact CD2-CB 3.68Å; L262-R298 HydrophobicContact CD2-CG 3.87Å
263K86.4Confident89.2Confident182 Ų18266.7 Ų66.779%0.79134%0.337SS*.  trans-89.2158.3-178.2-65.8-175.6178.4-178.10111.4H293K263-H293 PolarHBondContact O-NE2 3.31Å; K263-H293 VanDerWaalsContact O-NE2 3.16Å
264G82.1Confident89.3Confident52 Ų5266.1 Ų66.154%0.53634%0.335SS..  trans114.5-9.5164.400000116.1R291G264-R291 PolarHBondContact O-NE 2.93Å; G264-R291 PolarHBondContact O-NH2 3.08Å
265A85.2Confident89.4Confident23 Ų2356.9 Ų56.919%0.1930%0.301CS..  trans-79.8136.9168.900000110.1G246G246-A265 WeakPolarHBondContact O-CB 3.34Å
266A85.1Confident89.3Confident81 Ų8153.3 Ų53.367%0.66930%0.299SS*.  trans-130.867.2-172.200000109.6D287A266-D287 PolarHBondContact N-OD2 2.97Å; A266-D287 WeakPolarHBondContact O-CB 3.15Å
267G87.9Confident89.1Confident21 Ų2156.1 Ų56.122%0.21632%0.316CS..SBendtrans142.3161.8-174.500000112Q245 G246 V269Q245-G267 PolarHBondContact O-N 2.87Å; G246-G267 WeakPolarHBondContact CA-O 3.44Å; G246-G267 PolarHBondContact N-O 3.02Å; G267-V269 PolarHBondContact O-N 3.29Å
268G90.8Very high88.9Confident6 Ų652.9 Ų52.96%0.06230%0.298CS..  trans-56.4128.1-17200000114.5T244 G285 L286T244-G268 VanDerWaalsContact C-CA 3.44Å; T244-G268 WeakPolarHBondContact O-CA 3.46Å; T244-G268 PolarHBondContact O-N 3.33Å; T244-G268 VanDerWaalsContact O-N 3.14Å; G268-G285 WeakPolarHBondContact O-CA 3.25Å; G268-L286 PolarHBondContact O-N 3Å
269V94.2Very high88.8Confident4 Ų452.4 Ų52.42%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-73.5125.8177.1-171.90000108T228 A229 N243 V248 G267 L272T228-V269 VanDerWaalsContact CB-O 3.22Å; T228-V269 WeakPolarHBondContact CB-O 3.22Å; T228-V269 PolarHBondContact OG1-O 3.26Å; A229-V269 HydrophobicContact CB-CG1 4.44Å; N243-V269 PolarHBondContact O-N 3.07Å; N243-V269 VanDerWaalsContact O-N 3.07Å; V248-V269 HydrophobicContact CG2-CG2 3.72Å; G267-V269 PolarHBondContact O-N 3.29Å; V269-L272 HydrophobicContact CG1-CD1 4.17Å; V269-L272 HydrophobicContact CG1-CD2 3.98Å; V269-L272 HydrophobicContact CG1-CG 3.73Å
270R92.8Very high88.9Confident88 Ų8844.9 Ų44.933%0.33227%0.269SS..EExtended strand (participates in β ladder)trans-102.3-34.9-179.2-75.9-173.8165.7-126.41.2112.6C284 L286 L310R270-C284 PolarHBondContact N-O 3.37Å; R270-L286 VanDerWaalsContact NE-CD2 3.3Å; R270-L310 WeakPolarHBondContact CD-O 3.31Å
271A92.3Very high89.1Confident9 Ų944.5 Ų44.57%0.07426%0.264CS..EExtended strand (participates in β ladder)trans-144.5148.1173.800000111.5C284 L313A271-C284 PolarHBondContact N-O 2.82Å; A271-C284 PolarHBondContact O-N 3.14Å; A271-C284 VanDerWaalsContact O-N 3.09Å; A271-L313 HydrophobicContact CB-CB 4.15Å
272L94.4Very high89.2Confident7 Ų738.2 Ų38.24%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-130.7143.8173.8-73.6167.4000107.8A229 A231 V240 G242 V248 V269 V281 A282 S283A229-L272 HydrophobicContact CB-CB 4.28Å; A229-L272 HydrophobicContact CB-CD1 4.08Å; A229-L272 HydrophobicContact CB-CG 4.1Å; A231-L272 HydrophobicContact CB-CB 3.83Å; V240-L272 HydrophobicContact CG1-CD1 4.3Å; G242-L272 VanDerWaalsContact N-CD1 3.35Å; V248-L272 HydrophobicContact CG1-CD1 4.38Å; V248-L272 HydrophobicContact CG1-CD2 4.14Å; V248-L272 HydrophobicContact CG2-CD2 4.35Å; V269-L272 HydrophobicContact CG1-CD1 4.17Å; V269-L272 HydrophobicContact CG1-CD2 3.98Å; V269-L272 HydrophobicContact CG1-CG 3.73Å; L272-V281 HydrophobicContact CD2-CG2 4.25Å; L272-A282 WeakPolarHBondContact CA-O 3.38Å; L272-S283 VanDerWaalsContact CD2-CB 3.48Å
273Q93.3Very high89.3Confident49 Ų4938.2 Ų38.223%0.22924%0.241CC..EExtended strand (participates in β ladder)trans-147.9135168.3-169.7176.3-6.400110A282 L313 L315Q273-A282 PolarHBondContact N-O 3.06Å; Q273-A282 PolarHBondContact O-N 2.96Å; Q273-L313 HydrophobicContact CB-CD2 3.57Å; Q273-L313 PolarHBondContact OE1-O 2.81Å; Q273-L315 HydrophobicContact CB-CD1 4.36Å; Q273-L315 HydrophobicContact CB-CG 4.49Å; Q273-L315 HydrophobicContact CG-CD1 4.36Å; Q273-L315 HydrophobicContact CG-CG 4.48Å
274C91.6Very high89.6Confident13 Ų1329.7 Ų29.79%0.08820%0.204CC..EExtended strand (participates in β ladder)trans-91.1151.2169.7-60.10000110L232 L280L232-C274 WeakPolarHBondContact O-CB 3.41Å; L232-C274 PolarHBondContact O-SG 3.25Å; C274-L280 CarbonylContact C-O 3.54Å; C274-L280 VanDerWaalsContact CA-O 3.26Å; C274-L280 WeakPolarHBondContact CA-O 3.4Å
275H89.6Confident90Very high2 Ų227.3 Ų27.31%0.00918%0.18CC..  trans-67.8146.7171.4-167.5-98.3000110.3S277 Q278 L280 L315 A316 S317 R318H275-S277 PolarHBondContact CE1-OG 2.68Å; H275-S277 PolarHBondContact ND1-N 3.22Å; H275-S277 PolarHBondContact ND1-OG 3.47Å; H275-S277 PolarHBondContact O-N 3.26Å; H275-Q278 HydrophobicContact CB-CB 4.2Å; H275-Q278 WeakPolarHBondContact ND1-CB 3.42Å; H275-Q278 PolarHBondContact ND1-N 2.75Å; H275-L280 HydrophobicContact CB-CB 4.01Å; H275-L280 PolarHBondContact N-O 3.15Å; H275-L315 HydrophobicContact CB-CD1 4.44Å; H275-A316 PolarHBondContact CD2-O 3.41Å; H275-A316 PolarHBondContact NE2-O 3.37Å; H275-S317 PolarHBondContact CE1-O 3.45Å; H275-S317 PolarHBondContact NE2-O 3.49Å; H275-R318 PolarHBondContact NE2-O 2.79Å
276A83.1Confident90.3Very high76 Ų7629.5 Ų29.563%0.62819%0.188SC*.SBendtrans-69.3-32.6-174.300000113.2A234A234-A276 WeakPolarHBondContact CB-O 3.49Å
277S83.4Confident90.6Very high76 Ų7626.6 Ų26.653%0.53116%0.161SC..SBendtrans-118.5-20.9-176.760.50000114.5H275H275-S277 PolarHBondContact CE1-OG 2.68Å; H275-S277 PolarHBondContact ND1-N 3.22Å; H275-S277 PolarHBondContact ND1-OG 3.47Å; H275-S277 PolarHBondContact O-N 3.26Å
278Q85.4Confident90.8Very high41 Ų4131 Ų3119%0.19217%0.172CC..SBendtrans-110.8151.2-171.7-65.4-177.2-4.300109.5H275 L280 L320H275-Q278 HydrophobicContact CB-CB 4.2Å; H275-Q278 WeakPolarHBondContact ND1-CB 3.42Å; H275-Q278 PolarHBondContact ND1-N 2.75Å; Q278-L280 HydrophobicContact CB-CD1 4.34Å; Q278-L280 HydrophobicContact CB-CG 4.08Å; Q278-L280 PolarHBondContact O-N 2.8Å; Q278-L320 PolarHBondContact NE2-O 2.77Å; Q278-L320 PolarHBondContact OE1-O 3.04Å
279P88.4Confident90.8Very high53 Ų5333.4 Ų33.434%0.34418%0.18SC..SBendtrans-77.354.4177.734.5-37.1000111L295 E296P279-L295 HydrophobicContact CB-CB 4.18Å; P279-L295 WeakPolarHBondContact O-CB 3.32Å; P279-L295 PolarHBondContact O-N 3.18Å; P279-E296 HydrophobicContact CB-CG 3.95Å; P279-E296 HydrophobicContact CG-CG 3.99Å
280L90.8Very high90.7Very high13 Ų1333.3 Ų33.37%0.06818%0.179CC..EExtended strand (participates in β ladder)trans-114.4143.4179.4-62-176.6000110.3C274 H275 Q278 V292 H293 L301 L320C274-L280 CarbonylContact C-O 3.54Å; C274-L280 VanDerWaalsContact CA-O 3.26Å; C274-L280 WeakPolarHBondContact CA-O 3.4Å; H275-L280 HydrophobicContact CB-CB 4.01Å; H275-L280 PolarHBondContact N-O 3.15Å; Q278-L280 HydrophobicContact CB-CD1 4.34Å; Q278-L280 HydrophobicContact CB-CG 4.08Å; Q278-L280 PolarHBondContact O-N 2.8Å; L280-V292 HydrophobicContact CB-CG1 4.4Å; L280-H293 WeakPolarHBondContact CA-O 3.38Å; L280-L301 HydrophobicContact CD2-CD1 3.35Å; L280-L320 HydrophobicContact CD1-CB 3.92Å; L280-L320 HydrophobicContact CD1-CD1 3.79Å; L280-L320 HydrophobicContact CD1-CG 4.49Å
281V92.9Very high90.7Very high1 Ų129.9 Ų29.91%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-127.4132169.763.90000110.3V240 L262 L272 V292 H293 L295V240-V281 HydrophobicContact CB-CG2 4.4Å; V240-V281 HydrophobicContact CG1-CG2 4.15Å; V240-V281 HydrophobicContact CG2-CG2 4.32Å; L262-V281 HydrophobicContact CD1-CG1 3.5Å; L262-V281 VanDerWaalsContact CD1-CG1 3.5Å; L272-V281 HydrophobicContact CD2-CG2 4.25Å; V281-V292 CarbonylContact O-C 3.54Å; V281-V292 WeakPolarHBondContact O-CA 3.35Å; V281-H293 HydrophobicContact CG1-CB 3.94Å; V281-H293 PolarHBondContact N-O 2.87Å; V281-H293 PolarHBondContact O-N 2.98Å; V281-L295 HydrophobicContact CB-CD2 3.98Å; V281-L295 HydrophobicContact CB-CG 4.32Å; V281-L295 HydrophobicContact CG1-CD2 3.63Å; V281-L295 HydrophobicContact CG1-CG 4.21Å
282A93.1Very high90.7Very high0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-104139171.700000110.1L272 Q273 L290 R291 V292 L313 L315L272-A282 WeakPolarHBondContact CA-O 3.38Å; Q273-A282 PolarHBondContact N-O 3.06Å; Q273-A282 PolarHBondContact O-N 2.96Å; A282-L290 HydrophobicContact CB-CD1 4.33Å; A282-R291 CarbonylContact C-O 3.51Å; A282-R291 VanDerWaalsContact CA-O 3.3Å; A282-R291 WeakPolarHBondContact CA-O 3.37Å; A282-V292 HydrophobicContact CB-CG2 4.16Å; A282-L313 HydrophobicContact CB-CD1 3.76Å; A282-L313 HydrophobicContact CB-CD2 3.77Å; A282-L313 HydrophobicContact CB-CG 4.43Å; A282-L315 HydrophobicContact CB-CD1 3.82Å; A282-L315 HydrophobicContact CB-CD2 3.8Å; A282-L315 HydrophobicContact CB-CG 4.05Å
283S93.6Very high90.6Very high5 Ų529.4 Ų29.44%0.03516%0.163CC..EExtended strand (participates in β ladder)trans-130.9139-17856.10000110.6L272 R291L272-S283 VanDerWaalsContact CD2-CB 3.48Å; S283-R291 PolarHBondContact N-O 2.87Å; S283-R291 PolarHBondContact O-N 2.87Å; S283-R291 PolarHBondContact OG-O 2.74Å
284C92.5Very high90.5Very high3 Ų327.6 Ų27.62%0.0216%0.155CC..EExtended strand (participates in β ladder)trans-139151.9171.970.90000111.3L12 R270 A271 L310 L313L12-C284 HydrophobicContact CD2-CB 4.34Å; R270-C284 PolarHBondContact N-O 3.37Å; A271-C284 PolarHBondContact N-O 2.82Å; A271-C284 PolarHBondContact O-N 3.14Å; A271-C284 VanDerWaalsContact O-N 3.09Å; C284-L310 HydrophobicContact CB-CB 3.9Å; C284-L310 HydrophobicContact CB-CD1 3.83Å; C284-L313 HydrophobicContact CB-CD1 4.01Å
285G90.4Very high90.3Very high2 Ų228.4 Ų28.42%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-161.6-157.5-17800000114.3G268 D287 L310G268-G285 WeakPolarHBondContact O-CA 3.25Å; G285-D287 PolarHBondContact O-N 3.44Å; G285-L310 PolarHBondContact O-N 3.12Å
286L91.6Very high90.1Very high70 Ų7035.3 Ų35.337%0.36619%0.191SC..THydrogen-bonded Turntrans-69.2-18.4178.9-71.5174.7000113.7G268 R270 R288G268-L286 PolarHBondContact O-N 3Å; R270-L286 VanDerWaalsContact NE-CD2 3.3Å; L286-R288 PolarHBondContact O-N 2.84Å
287D90.2Very high90.2Very high20 Ų2036.5 Ų36.511%0.10719%0.187CC..THydrogen-bonded Turntrans-76.7-3.7-177.668.60.9000114A266 G285 F289 R291A266-D287 PolarHBondContact N-OD2 2.97Å; A266-D287 WeakPolarHBondContact O-CB 3.15Å; G285-D287 PolarHBondContact O-N 3.44Å; D287-F289 HydrophobicContact CB-CD2 4.44Å; D287-F289 WeakPolarHBondContact O-CD2 3.36Å; D287-F289 PolarHBondContact O-N 2.78Å; D287-F289 PolarHBondContact OD1-N 2.78Å; D287-R291 IonicContact OD1-NH1 3.09Å; D287-R291 PolarHBondContact OD1-NH1 2.93Å; D287-R291 IonicContact OD2-CZ 2.71Å; D287-R291 IonicContact OD2-NH1 3.98Å; D287-R291 PolarHBondContact OD2-NH1 2.91Å; D287-R291 IonicContact OD2-NH2 3.61Å; D287-R291 PolarHBondContact OD2-NH2 2.85Å
288R91.6Very high90.3Very high114 Ų11439 Ų3943%0.4319%0.185SC..  trans67.116.9175.3-46.6173.6-74.8-152.4-2.5114L286 Y305 L306 S308 R309L286-R288 PolarHBondContact O-N 2.84Å; R288-Y305 HydrophobicContact CB-CD2 4.41Å; R288-Y305 HydrophobicContact CB-CE2 3.87Å; R288-L306 PolarHBondContact O-N 3.09Å; R288-S308 WeakPolarHBondContact CA-O 3.5Å; R288-S308 VanDerWaalsContact CB-O 3.31Å; R288-S308 WeakPolarHBondContact CB-O 3.37Å; R288-S308 WeakPolarHBondContact CG-O 3.4Å; R288-R309 HydrophobicContact CG-CG 4.08Å
289F92Very high90.4Very high56 Ų5645.3 Ų45.325%0.24621%0.207CC..EExtended strand (participates in β ladder)trans-108.7140.2174.7-73-89000110.5D287 R291 R303 V304 Y305D287-F289 HydrophobicContact CB-CD2 4.44Å; D287-F289 WeakPolarHBondContact O-CD2 3.36Å; D287-F289 PolarHBondContact O-N 2.78Å; D287-F289 PolarHBondContact OD1-N 2.78Å; F289-R291 VanDerWaalsContact CB-NH1 3.3Å; F289-R303 HydrophobicContact CD1-CG 3.85Å; F289-R303 HydrophobicContact CE1-CG 4.33Å; F289-V304 CarbonylContact C-O 3.53Å; F289-V304 WeakPolarHBondContact CA-O 3.33Å; F289-Y305 HydrophobicContact CD1-CD2 4.01Å; F289-Y305 HydrophobicContact CD1-CG 4.44Å; F289-Y305 HydrophobicContact CD2-CD2 4.11Å; F289-Y305 AromaticContact CE1-CD2 3.66Å; F289-Y305 HydrophobicContact CE1-CD2 3.66Å; F289-Y305 AromaticContact CE1-CG 3.97Å; F289-Y305 HydrophobicContact CE1-CG 3.97Å; F289-Y305 AromaticContact CE2-CD2 3.73Å; F289-Y305 HydrophobicContact CE2-CD2 3.73Å; F289-Y305 HydrophobicContact CE2-CE2 4.16Å; F289-Y305 HydrophobicContact CG-CD2 4.22Å; F289-Y305 AromaticContact CZ-CD2 3.48Å; F289-Y305 HydrophobicContact CZ-CD2 3.48Å; F289-Y305 VanDerWaalsContact CZ-CD2 3.48Å; F289-Y305 HydrophobicContact CZ-CE2 4.2Å; F289-Y305 HydrophobicContact CZ-CG 4.12Å
290L92.3Very high90.4Very high1 Ų146.9 Ų46.91%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-88.5128158.1171.968.1000107.5V10 L12 V22 L24 A282 R303 V304 L306 L313V10-L290 HydrophobicContact CB-CD2 4.08Å; V10-L290 HydrophobicContact CG1-CD1 4.11Å; V10-L290 HydrophobicContact CG1-CD2 3.91Å; V10-L290 HydrophobicContact CG2-CD2 4.19Å; L12-L290 HydrophobicContact CD1-CB 4.17Å; L12-L290 HydrophobicContact CD1-CD1 4.37Å; L12-L290 HydrophobicContact CD1-CD2 4.16Å; L12-L290 HydrophobicContact CD1-CG 4.46Å; L12-L290 HydrophobicContact CD2-CD1 4.19Å; V22-L290 HydrophobicContact CB-CD2 4.06Å; V22-L290 HydrophobicContact CG1-CD2 4.01Å; V22-L290 HydrophobicContact CG2-CD2 4.05Å; L24-L290 HydrophobicContact CD2-CD2 4.42Å; A282-L290 HydrophobicContact CB-CD1 4.33Å; L290-R303 WeakPolarHBondContact O-CA 3.46Å; L290-V304 HydrophobicContact CB-CB 4.43Å; L290-V304 PolarHBondContact N-O 3.2Å; L290-V304 PolarHBondContact O-N 3.38Å; L290-L306 HydrophobicContact CB-CD1 3.68Å; L290-L313 HydrophobicContact CD1-CD1 3.48Å; L290-L313 VanDerWaalsContact CD1-CD1 3.48Å
291R91.8Very high90.3Very high16 Ų1649.6 Ų49.66%0.0623%0.231CC..EExtended strand (participates in β ladder)trans-122.6138.1170.6-66177.5-168.774.9-7.1110.7G264 A282 S283 D287 F289 H302 R303G264-R291 PolarHBondContact O-NE 2.93Å; G264-R291 PolarHBondContact O-NH2 3.08Å; A282-R291 CarbonylContact C-O 3.51Å; A282-R291 VanDerWaalsContact CA-O 3.3Å; A282-R291 WeakPolarHBondContact CA-O 3.37Å; S283-R291 PolarHBondContact N-O 2.87Å; S283-R291 PolarHBondContact O-N 2.87Å; S283-R291 PolarHBondContact OG-O 2.74Å; D287-R291 IonicContact OD1-NH1 3.09Å; D287-R291 PolarHBondContact OD1-NH1 2.93Å; D287-R291 IonicContact OD2-CZ 2.71Å; D287-R291 IonicContact OD2-NH1 3.98Å; D287-R291 PolarHBondContact OD2-NH1 2.91Å; D287-R291 IonicContact OD2-NH2 3.61Å; D287-R291 PolarHBondContact OD2-NH2 2.85Å; F289-R291 VanDerWaalsContact CB-NH1 3.3Å; R291-H302 VanDerWaalsContact CA-O 3.31Å; R291-H302 WeakPolarHBondContact CA-O 3.08Å; R291-R303 HydrophobicContact CG-CG 4.3Å
292V92.6Very high90Very high2 Ų251 Ų511%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-118.7126.1172.4-175.60000107.9L24 L280 V281 A282 L301 H302L24-V292 HydrophobicContact CD1-CG2 4.04Å; L24-V292 HydrophobicContact CD2-CG2 4.09Å; L280-V292 HydrophobicContact CB-CG1 4.4Å; V281-V292 CarbonylContact O-C 3.54Å; V281-V292 WeakPolarHBondContact O-CA 3.35Å; A282-V292 HydrophobicContact CB-CG2 4.16Å; V292-L301 PolarHBondContact O-N 2.87Å; V292-H302 HydrophobicContact CB-CB 4.15Å; V292-H302 HydrophobicContact CG2-CB 4.33Å; V292-H302 PolarHBondContact N-O 2.84Å; V292-H302 PolarHBondContact O-N 2.8Å
293H92.1Very high89.9Confident4 Ų460 Ų602%0.01927%0.272CS..EExtended strand (participates in β ladder)trans-118.8145.2-179.3-61.781.9000110.2L262 K263 L280 V281 R299L262-H293 HydrophobicContact CD1-CB 4.09Å; L262-H293 HydrophobicContact CD2-CB 4.24Å; K263-H293 PolarHBondContact O-NE2 3.31Å; K263-H293 VanDerWaalsContact O-NE2 3.16Å; L280-H293 WeakPolarHBondContact CA-O 3.38Å; V281-H293 HydrophobicContact CG1-CB 3.94Å; V281-H293 PolarHBondContact N-O 2.87Å; V281-H293 PolarHBondContact O-N 2.98Å; H293-R299 WeakPolarHBondContact CA-O 3.39Å
294S91.3Very high89.8Confident11 Ų1160.3 Ų60.38%0.07727%0.273CS..EExtended strand (participates in β ladder)trans-77.8133.6164.7171.10000109.3E296 R298 R299S294-E296 PolarHBondContact OG-N 3.24Å; S294-R298 WeakPolarHBondContact O-CA 3.25Å; S294-R298 PolarHBondContact O-N 2.84Å; S294-R299 PolarHBondContact N-O 3.18Å
295L87.4Confident89.7Confident31 Ų3165 Ų6516%0.16229%0.292CS..THydrogen-bonded Turntrans-78.4-25.3178.6-68.4172.6000112.5T233 V240 V250 P279 V281T233-L295 HydrophobicContact CG2-CD1 3.67Å; V240-L295 HydrophobicContact CG2-CD2 3.77Å; V250-L295 HydrophobicContact CG2-CD2 3.91Å; P279-L295 HydrophobicContact CB-CB 4.18Å; P279-L295 WeakPolarHBondContact O-CB 3.32Å; P279-L295 PolarHBondContact O-N 3.18Å; V281-L295 HydrophobicContact CB-CD2 3.98Å; V281-L295 HydrophobicContact CB-CG 4.32Å; V281-L295 HydrophobicContact CG1-CD2 3.63Å; V281-L295 HydrophobicContact CG1-CG 4.21Å
296E86.5Confident89.6Confident146 Ų14665.2 Ų65.268%0.68229%0.292SS*.THydrogen-bonded Turntrans-74.3-55.5178.2-65.6-179.4169.600110.4P279 S294P279-E296 HydrophobicContact CB-CG 3.95Å; P279-E296 HydrophobicContact CG-CG 3.99Å; S294-E296 PolarHBondContact OG-N 3.24Å
297D83.8Confident89.4Confident102 Ų10270 Ų7055%0.54531%0.31SS..THydrogen-bonded Turntrans-87.8-15.1-176.6-67.7-37000113.4R299D297-R299 HydrophobicContact CB-CB 4.26Å; D297-R299 HydrophobicContact CB-CG 3.96Å; D297-R299 PolarHBondContact O-N 2.85Å; D297-R299 VanDerWaalsContact O-N 3.14Å
298R86.2Confident89.2Confident128 Ų12870 Ų7048%0.48331%0.311SS..  trans59.218.3-173.4-61.4171.7-69.9-176.42.8113.6R259 L262 S294R259-R298 PolarHBondContact O-NH1 3.18Å; L262-R298 HydrophobicContact CD2-CB 3.68Å; L262-R298 HydrophobicContact CD2-CG 3.87Å; S294-R298 WeakPolarHBondContact O-CA 3.25Å; S294-R298 PolarHBondContact O-N 2.84Å
299R87.7Confident89.1Confident173 Ų17369.4 Ų69.465%0.65331%0.309SS*.  trans-87.9142.3179.8-68.3177.4-177.2-171.10.9110.7H293 S294 D297 L301H293-R299 WeakPolarHBondContact CA-O 3.39Å; S294-R299 PolarHBondContact N-O 3.18Å; D297-R299 HydrophobicContact CB-CB 4.26Å; D297-R299 HydrophobicContact CB-CG 3.96Å; D297-R299 PolarHBondContact O-N 2.85Å; D297-R299 VanDerWaalsContact O-N 3.14Å; R299-L301 PolarHBondContact O-N 3.3Å
300P88.4Confident89.1Confident86 Ų8666.7 Ų66.756%0.55830%0.297SS*.EExtended strand (participates in β ladder)trans-71.4123.6169.230.1-32000109.6
301L88.9Confident89Confident71 Ų7167 Ų6737%0.37230%0.299SS..EExtended strand (participates in β ladder)trans-89-46.3175.1-64.2176.8000111.2L280 V292 R299L280-L301 HydrophobicContact CD2-CD1 3.35Å; V292-L301 PolarHBondContact O-N 2.87Å; R299-L301 PolarHBondContact O-N 3.3Å
302H86.9Confident88.9Confident30 Ų3066.5 Ų66.514%0.13930%0.298CS..EExtended strand (participates in β ladder)trans-130.5141-177.8-60.2-92.5000110.9L24 R291 V292L24-H302 HydrophobicContact CD2-CB 3.88Å; L24-H302 PolarHBondContact O-CE1 3.48Å; R291-H302 VanDerWaalsContact CA-O 3.31Å; R291-H302 WeakPolarHBondContact CA-O 3.08Å; V292-H302 HydrophobicContact CB-CB 4.15Å; V292-H302 HydrophobicContact CG2-CB 4.33Å; V292-H302 PolarHBondContact N-O 2.84Å; V292-H302 PolarHBondContact O-N 2.8Å
303R91.1Very high88.9Confident188 Ų18867 Ų6771%0.70930%0.3SS*.EExtended strand (participates in β ladder)trans-135.6111.1171.2-176.5177.275.9172.33.5108.1F289 L290 R291F289-R303 HydrophobicContact CD1-CG 3.85Å; F289-R303 HydrophobicContact CE1-CG 4.33Å; L290-R303 WeakPolarHBondContact O-CA 3.46Å; R291-R303 HydrophobicContact CG-CG 4.3Å
304V90.8Very high88.8Confident12 Ų1267.4 Ų67.47%0.07330%0.303CS..EExtended strand (participates in β ladder)trans-121.8123.9-176.6-176.50000109.3V22 F289 L290 L306V22-V304 HydrophobicContact CG1-CG1 4.23Å; V22-V304 HydrophobicContact CG1-CG2 4.23Å; F289-V304 CarbonylContact C-O 3.53Å; F289-V304 WeakPolarHBondContact CA-O 3.33Å; L290-V304 HydrophobicContact CB-CB 4.43Å; L290-V304 PolarHBondContact N-O 3.2Å; L290-V304 PolarHBondContact O-N 3.38Å; V304-L306 HydrophobicContact CG1-CD2 4.11Å; V304-L306 HydrophobicContact CG1-CG 4.36Å
305Y91.1Very high88.7Confident103 Ų10367.2 Ų67.240%0.40430%0.301SS..EExtended strand (participates in β ladder)trans-84.8128.7176.3-176.6-121.7000110.7R288 F289 K307R288-Y305 HydrophobicContact CB-CD2 4.41Å; R288-Y305 HydrophobicContact CB-CE2 3.87Å; F289-Y305 HydrophobicContact CD1-CD2 4.01Å; F289-Y305 HydrophobicContact CD1-CG 4.44Å; F289-Y305 HydrophobicContact CD2-CD2 4.11Å; F289-Y305 AromaticContact CE1-CD2 3.66Å; F289-Y305 HydrophobicContact CE1-CD2 3.66Å; F289-Y305 AromaticContact CE1-CG 3.97Å; F289-Y305 HydrophobicContact CE1-CG 3.97Å; F289-Y305 AromaticContact CE2-CD2 3.73Å; F289-Y305 HydrophobicContact CE2-CD2 3.73Å; F289-Y305 HydrophobicContact CE2-CE2 4.16Å; F289-Y305 HydrophobicContact CG-CD2 4.22Å; F289-Y305 AromaticContact CZ-CD2 3.48Å; F289-Y305 HydrophobicContact CZ-CD2 3.48Å; F289-Y305 VanDerWaalsContact CZ-CD2 3.48Å; F289-Y305 HydrophobicContact CZ-CE2 4.2Å; F289-Y305 HydrophobicContact CZ-CG 4.12Å; Y305-K307 HydrophobicContact CD1-CG 3.84Å; Y305-K307 HydrophobicContact CE1-CB 4.2Å; Y305-K307 HydrophobicContact CE1-CG 3.43Å; Y305-K307 VanDerWaalsContact CE1-CG 3.43Å
306L87.3Confident88.7Confident5 Ų566 Ų663%0.02630%0.296CS..  trans-115.85.8-171.1-67.8167.5000113.7L12 K20 V22 A29 R288 L290 V304 S308 L310L12-L306 HydrophobicContact CD1-CD1 3.14Å; K20-L306 HydrophobicContact CD-CB 4.47Å; K20-L306 HydrophobicContact CD-CD2 4.4Å; K20-L306 PolarHBondContact NZ-O 3.44Å; V22-L306 HydrophobicContact CG2-CD1 4.27Å; V22-L306 HydrophobicContact CG2-CD2 3.83Å; A29-L306 HydrophobicContact CB-CD2 3.2Å; R288-L306 PolarHBondContact O-N 3.09Å; L290-L306 HydrophobicContact CB-CD1 3.68Å; V304-L306 HydrophobicContact CG1-CD2 4.11Å; V304-L306 HydrophobicContact CG1-CG 4.36Å; L306-S308 PolarHBondContact O-N 3.02Å; L306-S308 PolarHBondContact O-OG 3.19Å; L306-L310 HydrophobicContact CB-CD1 4.37Å; L306-L310 HydrophobicContact CB-CD2 4.42Å; L306-L310 HydrophobicContact CD1-CD1 3.53Å; L306-L310 HydrophobicContact CD1-CD2 4.25Å; L306-L310 HydrophobicContact CD1-CG 4.49Å
307K87.1Confident88.2Confident171 Ų17161.9 Ų61.974%0.74328%0.283SS*.SBendtrans59.6-11.8176.3-61.2179.1178-174.40116.4Y305Y305-K307 HydrophobicContact CD1-CG 3.84Å; Y305-K307 HydrophobicContact CE1-CB 4.2Å; Y305-K307 HydrophobicContact CE1-CG 3.43Å; Y305-K307 VanDerWaalsContact CE1-CG 3.43Å
308S86.6Confident87.7Confident19 Ų1965.9 Ų65.913%0.13329%0.29CS..SBendtrans-123.7151.8-179.161.60000111.2K20 R288 L306K20-S308 WeakPolarHBondContact CE-OG 3.44Å; K20-S308 PolarHBondContact NZ-OG 2.73Å; R288-S308 WeakPolarHBondContact CA-O 3.5Å; R288-S308 VanDerWaalsContact CB-O 3.31Å; R288-S308 WeakPolarHBondContact CB-O 3.37Å; R288-S308 WeakPolarHBondContact CG-O 3.4Å; L306-S308 PolarHBondContact O-N 3.02Å; L306-S308 PolarHBondContact O-OG 3.19Å
309R89.8Confident86.5Confident102 Ų10266.9 Ų66.939%0.38530%0.3SS..  trans-70.1130.8171-64.9-176.8-63.4-163.33.3109.3S14 E15 R288S14-R309 WeakPolarHBondContact CA-O 3.5Å; E15-R309 PolarHBondContact N-O 3.2Å; E15-R309 IonicContact OE1-CZ 2.64Å; E15-R309 IonicContact OE1-NH2 3.4Å; E15-R309 PolarHBondContact OE1-NH2 3.48Å; E15-R309 IonicContact OE2-CZ 2.81Å; E15-R309 IonicContact OE2-NE 3.72Å; E15-R309 PolarHBondContact OE2-NE 3.37Å; E15-R309 IonicContact OE2-NH2 3.25Å; E15-R309 PolarHBondContact OE2-NH2 3.25Å; R288-R309 HydrophobicContact CG-CG 4.08Å
310L91.1Very high85.2Confident0 Ų059.3 Ų59.30%027%0.273CS..EExtended strand (participates in β ladder)trans-103.8141.6-173.4-56.6169.2000109.4L12 G13 R270 C284 G285 L306L12-L310 HydrophobicContact CB-CD2 4.22Å; L12-L310 HydrophobicContact CD1-CD1 4.17Å; G13-L310 WeakPolarHBondContact O-CA 3.46Å; R270-L310 WeakPolarHBondContact CD-O 3.31Å; C284-L310 HydrophobicContact CB-CB 3.9Å; C284-L310 HydrophobicContact CB-CD1 3.83Å; G285-L310 PolarHBondContact O-N 3.12Å; L306-L310 HydrophobicContact CB-CD1 4.37Å; L306-L310 HydrophobicContact CB-CD2 4.42Å; L306-L310 HydrophobicContact CD1-CD1 3.53Å; L306-L310 HydrophobicContact CD1-CD2 4.25Å; L306-L310 HydrophobicContact CD1-CG 4.49Å
311T90Very high83.4Confident8 Ų862.7 Ų62.75%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-113.4-41.6-171.449.70000111.5G13 E15 E43 V44G13-T311 PolarHBondContact O-N 3.36Å; G13-T311 PolarHBondContact O-OG1 2.85Å; G13-T311 VanDerWaalsContact O-OG1 3.13Å; E15-T311 HydrophobicContact CB-CG2 4.14Å; E43-T311 HydrophobicContact CG-CG2 4.11Å; E43-T311 WeakPolarHBondContact OE1-CG2 3.36Å; V44-T311 WeakPolarHBondContact O-CB 3.39Å; V44-T311 PolarHBondContact O-OG1 3.43Å
312C89.7Confident81.1Confident4 Ų462.9 Ų62.93%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-140.2158.3-176.750.90000111G13 L47G13-C312 PolarHBondContact N-O 3.33Å; G13-C312 VanDerWaalsContact N-O 3.1Å; L47-C312 HydrophobicContact CD1-CB 4.24Å; L47-C312 WeakPolarHBondContact CD1-SG 3.44Å; L47-C312 HydrophobicContact CG-CB 4.33Å; L47-C312 VanDerWaalsContact CG-SG 3.51Å
313L92.6Very high78.6Confident13 Ų1363.7 Ų63.77%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-140.1140.1-174.5-174.1151.5000109.4V10 L12 A271 Q273 A282 C284 L290 L315V10-L313 HydrophobicContact CG1-CD1 4.48Å; V10-L313 HydrophobicContact CG1-CD2 4.44Å; V10-L313 HydrophobicContact CG1-CG 4.18Å; L12-L313 HydrophobicContact CD2-CB 3.76Å; L12-L313 HydrophobicContact CD2-CD1 3.62Å; L12-L313 HydrophobicContact CD2-CG 3.53Å; A271-L313 HydrophobicContact CB-CB 4.15Å; Q273-L313 HydrophobicContact CB-CD2 3.57Å; Q273-L313 PolarHBondContact OE1-O 2.81Å; A282-L313 HydrophobicContact CB-CD1 3.76Å; A282-L313 HydrophobicContact CB-CD2 3.77Å; A282-L313 HydrophobicContact CB-CG 4.43Å; C284-L313 HydrophobicContact CB-CD1 4.01Å; L290-L313 HydrophobicContact CD1-CD1 3.48Å; L290-L313 VanDerWaalsContact CD1-CD1 3.48Å; L313-L315 HydrophobicContact CD2-CD2 4.35Å; L313-L315 HydrophobicContact CD2-CG 3.92Å
314L91.2Very high75.9Confident13 Ų1361 Ų617%0.06832%0.316CS..EExtended strand (participates in β ladder)trans-136.3120174.7-166.867.7000110.8W11 L47 W49 L57W11-L314 HydrophobicContact CB-CB 4.26Å; W11-L314 PolarHBondContact N-O 3.47Å; W11-L314 PolarHBondContact O-N 2.8Å; L47-L314 HydrophobicContact CB-CB 4.26Å; W49-L314 HydrophobicContact CD2-CD2 3.69Å; W49-L314 HydrophobicContact CD2-CG 4.37Å; W49-L314 VanDerWaalsContact CE2-CD2 3.48Å; W49-L314 HydrophobicContact CE3-CD2 4.39Å; W49-L314 HydrophobicContact CG-CD1 4.48Å; W49-L314 HydrophobicContact CG-CD2 3.87Å; W49-L314 HydrophobicContact CG-CG 4.45Å; W49-L314 HydrophobicContact CZ2-CD2 4Å; W49-L314 HydrophobicContact CZ2-CG 4.17Å; L57-L314 HydrophobicContact CD2-CD2 3.21Å
315L89.6Confident73.1Confident6 Ų663.9 Ų63.93%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-90.8137.4171.5-68175.1000110.6V10 W49 Q273 H275 A282 L313V10-L315 HydrophobicContact CB-CD2 4.11Å; V10-L315 HydrophobicContact CG1-CD2 3.86Å; V10-L315 HydrophobicContact CG2-CD2 3.46Å; V10-L315 VanDerWaalsContact CG2-CD2 3.46Å; W49-L315 PolarHBondContact NE1-O 3.14Å; W49-L315 VanDerWaalsContact NE1-O 3.09Å; Q273-L315 HydrophobicContact CB-CD1 4.36Å; Q273-L315 HydrophobicContact CB-CG 4.49Å; Q273-L315 HydrophobicContact CG-CD1 4.36Å; Q273-L315 HydrophobicContact CG-CG 4.48Å; H275-L315 HydrophobicContact CB-CD1 4.44Å; A282-L315 HydrophobicContact CB-CD1 3.82Å; A282-L315 HydrophobicContact CB-CD2 3.8Å; A282-L315 HydrophobicContact CB-CG 4.05Å; L313-L315 HydrophobicContact CD2-CD2 4.35Å; L313-L315 HydrophobicContact CD2-CG 3.92Å
316A85.6Confident70.2Confident7 Ų763.2 Ų63.26%0.05837%0.373CS..  trans-72.2148.2163.300000109.9S9 W49 E54 H275 R318S9-A316 WeakPolarHBondContact O-CB 3.13Å; S9-A316 PolarHBondContact O-N 2.78Å; W49-A316 HydrophobicContact CZ2-CB 4.03Å; E54-A316 VanDerWaalsContact OE2-CA 3.24Å; E54-A316 WeakPolarHBondContact OE2-CA 3.38Å; E54-A316 VanDerWaalsContact OE2-CB 3.28Å; E54-A316 WeakPolarHBondContact OE2-CB 3.39Å; H275-A316 PolarHBondContact CD2-O 3.41Å; H275-A316 PolarHBondContact NE2-O 3.37Å; A316-R318 VanDerWaalsContact C-N 3.28Å
317S77.5Confident67.2Low59 Ų5965.7 Ų65.741%0.41340%0.4SS..SBendtrans-79.1-12177.458.90000113.3E54 H275 E319E54-S317 VanDerWaalsContact CD-N 3.29Å; E54-S317 WeakPolarHBondContact OE1-CA 3.32Å; E54-S317 WeakPolarHBondContact OE1-CB 3.45Å; E54-S317 PolarHBondContact OE1-N 2.83Å; E54-S317 PolarHBondContact OE1-OG 3.18Å; E54-S317 PolarHBondContact OE2-N 3.37Å; E54-S317 PolarHBondContact OE2-OG 3.07Å; H275-S317 PolarHBondContact CE1-O 3.45Å; H275-S317 PolarHBondContact NE2-O 3.49Å; S317-E319 PolarHBondContact O-N 3.41Å
318R73Confident64.7Low186 Ų18662.4 Ų62.470%0.70240%0.404SS*.SBendtrans-54.9129.6174.8-170.1175.8-174.8178.12.2109.4H275 A316 L320H275-R318 PolarHBondContact NE2-O 2.79Å; A316-R318 VanDerWaalsContact C-N 3.28Å; R318-L320 PolarHBondContact O-N 3.02Å
319E60.8Low61.9Low149 Ų14967.9 Ų67.970%0.69644%0.437SS*.  trans-50114.3179.1-70.7-175.2173.800110.6S317 Q321S317-E319 PolarHBondContact O-N 3.41Å; E319-Q321 PolarHBondContact O-N 3.28Å
320L60.2Low59.5Low13 Ų1372 Ų727%0.06846%0.461CS..  trans-70.1110.2167.1-74.3159.7000105.8S9 L24 Q278 L280 R318 A322S9-L320 WeakPolarHBondContact OG-CD2 3.37Å; L24-L320 HydrophobicContact CB-CD2 4.03Å; L24-L320 HydrophobicContact CD1-CD1 4.05Å; L24-L320 HydrophobicContact CD1-CD2 3.34Å; L24-L320 HydrophobicContact CD1-CG 4.34Å; L24-L320 HydrophobicContact CG-CD2 4.19Å; Q278-L320 PolarHBondContact NE2-O 2.77Å; Q278-L320 PolarHBondContact OE1-O 3.04Å; L280-L320 HydrophobicContact CD1-CB 3.92Å; L280-L320 HydrophobicContact CD1-CD1 3.79Å; L280-L320 HydrophobicContact CD1-CG 4.49Å; R318-L320 PolarHBondContact O-N 3.02Å; L320-A322 PolarHBondContact O-N 3.29Å
321Q51.3Low56.8Low158 Ų15875.6 Ų75.674%0.73850%0.498SS*.  trans-62.2112.6166.9-71.1-161.7-4.400106.4E319 G323E319-Q321 PolarHBondContact O-N 3.28Å; Q321-G323 VanDerWaalsContact C-N 3.31Å; Q321-G323 PolarHBondContact O-N 3.42Å
322A39.8Very low53.8Low75 Ų7579.8 Ų79.862%0.6253%0.533SS*.  trans-59.2102.5166.600000106.1L320L320-A322 PolarHBondContact O-N 3.29Å
323G35.2Very low50.8Low47 Ų4788.2 Ų88.249%0.48557%0.572SS.*  trans-51.5142.4172.900000109.1Q321 G325Q321-G323 VanDerWaalsContact C-N 3.31Å; Q321-G323 PolarHBondContact O-N 3.42Å; G323-G325 PolarHBondContact O-N 3.04Å
324P34.5Very low47.9Very low130 Ų13092.5 Ų92.584%0.84460%0.601SS**SBendtrans-58.1138.6-177.725.7-32000109.1
325G31.8Very low45.1Very low73 Ų73100.7 Ų100.775%0.75364%0.639SS**  trans-9.4124-177.700000117.3G323 G327G323-G325 PolarHBondContact O-N 3.04Å; G325-G327 PolarHBondContact O-N 3.24Å
326G29.9Very low42.7Very low89 Ų89104.6 Ų104.692%0.91866%0.663SS**  trans-61.280.9158.200000110.6
327G24.2Very low40.3Very low58 Ų58111.8 Ų111.860%0.59869%0.693SS**  trans-59.9131.8143.100000106.9G325 T329G325-G327 PolarHBondContact O-N 3.24Å; G327-T329 PolarHBondContact O-N 2.87Å
328A35.6Very low38.3Very low101 Ų101116.4 Ų116.484%0.83571%0.708SS**  trans-55103.6170.900000108.8E330A328-E330 PolarHBondContact O-N 3.41Å
329T27.3Very low36.7Very low134 Ų134115.1 Ų115.182%0.82271%0.709SS**  trans-84.793.2156.550.10000106.2G327G327-T329 PolarHBondContact O-N 2.87Å
330E37.8Very low35.8Very low190 Ų190113.6 Ų113.689%0.88870%0.702SS**  trans-48.7139.6143.7-72.9178.3150.300108.4A328A328-E330 PolarHBondContact O-N 3.41Å
331G34.8Very low35.1Very low75 Ų75117.9 Ų117.977%0.77373%0.725SS**  trans11469.2174.800000114.7
332A26.9Very low35.1Very low96 Ų96116.2 Ų116.279%0.79372%0.718SS**  trans-158.777.1145.100000107.1
333E26.7Very low35.5Very low180 Ų180117 Ų11784%0.84171%0.714SS**  trans-60.6130.8164-68.5-173.8150.500108.5Q335E333-Q335 PolarHBondContact O-N 2.82Å
334P32.2Very low36.3Very low103 Ų103123.6 Ų123.667%0.66973%0.725SS**  trans-71.6119.5167.327.3-27.6000108.3V336P334-V336 HydrophobicContact CB-CG2 4.31Å; P334-V336 PolarHBondContact O-N 2.85Å
335Q33.6Very low37.2Very low186 Ų186124.6 Ų124.687%0.86972%0.723SS**THydrogen-bonded Turntrans-64.157.7169.6-71.7179-39.900111.9E333E333-Q335 PolarHBondContact O-N 2.82Å
336V38.7Very low38Very low88 Ų88131 Ų13153%0.53372%0.724SS.*THydrogen-bonded Turntrans-123.4-6.2177.5-172.50000111P334P334-V336 HydrophobicContact CB-CG2 4.31Å; P334-V336 PolarHBondContact O-N 2.85Å
337K34.1Very low38.6Very low158 Ų158133.4 Ų133.469%0.68771%0.714SS**Hα-helixtrans-82.5-33.4178.3-81.9-173.9170.7-175.40114.4E339 E340 D341K337-E339 PolarHBondContact O-N 3.22Å; K337-E340 PolarHBondContact O-N 3.39Å; K337-D341 PolarHBondContact O-N 3.05Å
338E35.5Very low39.6Very low156 Ų156139.7 Ų139.773%0.72973%0.727SS**Hα-helixtrans-70.3-31.9-174.6-67.5-177.316300112.8E342E338-E342 PolarHBondContact O-N 2.7Å
339E39.1Very low39.8Very low158 Ų158146.3 Ų146.374%0.73873%0.731SS**Hα-helixtrans-79.1-27.1178.2-66.9-172.7172.100113.3K337 V343K337-E339 PolarHBondContact O-N 3.22Å; E339-V343 VanDerWaalsContact O-CG2 3.31Å; E339-V343 WeakPolarHBondContact O-CG2 3.33Å
340E42.1Very low40.3Very low118 Ų118145.9 Ų145.955%0.55173%0.727SS**Hα-helixtrans-75.2-43.6175.6-75.5-174.4161.300110.5K337 E342 V343 W344K337-E340 PolarHBondContact O-N 3.39Å; E340-E342 VanDerWaalsContact C-N 3.33Å; E340-E342 PolarHBondContact O-N 3.22Å; E340-V343 PolarHBondContact O-N 3.22Å; E340-W344 PolarHBondContact O-N 2.78Å; E340-W344 VanDerWaalsContact O-N 3.15Å
341D46.5Very low40.4Very low102 Ų102145.6 Ų145.655%0.54573%0.726SS.*Hα-helixtrans-63.2-35.7-178.6-70.3-22000112.5K337 V343 W344 D345K337-D341 PolarHBondContact O-N 3.05Å; D341-V343 VanDerWaalsContact C-N 3.3Å; D341-V343 PolarHBondContact O-N 3.48Å; D341-W344 PolarHBondContact O-N 2.71Å; D341-D345 PolarHBondContact O-N 2.85Å; D341-D345 VanDerWaalsContact O-N 3.13Å
342E50.1Low40.4Very low124 Ų124150.7 Ų150.758%0.57973%0.73SS**Hα-helixtrans-67.1-26.6173.6-76.2-168.6170.800114E338 E340 R346E338-E342 PolarHBondContact O-N 2.7Å; E340-E342 VanDerWaalsContact C-N 3.33Å; E340-E342 PolarHBondContact O-N 3.22Å; E342-R346 WeakPolarHBondContact O-CG 3.47Å; E342-R346 PolarHBondContact O-N 3.38Å
343V49Very low40.8Very low90 Ų90155.2 Ų155.255%0.54574%0.735SS.*Hα-helixtrans-80-35.6178.3173.20000110.9E339 E340 D341 R346E339-V343 VanDerWaalsContact O-CG2 3.31Å; E339-V343 WeakPolarHBondContact O-CG2 3.33Å; E340-V343 PolarHBondContact O-N 3.22Å; D341-V343 VanDerWaalsContact C-N 3.3Å; D341-V343 PolarHBondContact O-N 3.48Å; V343-R346 PolarHBondContact O-N 3.42Å
344W52.2Low41.1Very low186 Ų186156.2 Ų156.271%0.70574%0.739SS**Hα-helixtrans-70.4-33.7174.8-71.499.6000112.6E340 D341 R346 M347E340-W344 PolarHBondContact O-N 2.78Å; E340-W344 VanDerWaalsContact O-N 3.15Å; D341-W344 PolarHBondContact O-N 2.71Å; W344-R346 VanDerWaalsContact C-N 3.29Å; W344-R346 PolarHBondContact O-N 3.24Å; W344-M347 PolarHBondContact O-N 3.15Å
345D52.9Low41.1Very low151 Ų151160.1 Ų160.181%0.80775%0.749SS**THydrogen-bonded Turntrans-75-15.8175.8-89.2-10.1000113.7D341D341-D345 PolarHBondContact O-N 2.85Å; D341-D345 VanDerWaalsContact O-N 3.13Å
346R47.8Very low41.1Very low207 Ų207156.2 Ų156.278%0.78175%0.748SS**THydrogen-bonded Turntrans-93.6-2.2175.5-77.1-178.1-176.21758.4114.5E342 V343 W344E342-R346 WeakPolarHBondContact O-CG 3.47Å; E342-R346 PolarHBondContact O-N 3.38Å; V343-R346 PolarHBondContact O-N 3.42Å; W344-R346 VanDerWaalsContact C-N 3.29Å; W344-R346 PolarHBondContact O-N 3.24Å
347M42.8Very low40.7Very low141 Ų141158.5 Ų158.570%0.69576%0.763SS**SBendtrans-86.6116.7175.9-93.3-173.7172.800111.3W344 R349W344-M347 PolarHBondContact O-N 3.15Å; M347-R349 PolarHBondContact O-N 2.7Å
348E45Very low40.9Very low189 Ų189161 Ų16188%0.88377%0.774SS**  trans-63.4125.1174.4-127.9174.1-172.100110.5V350E348-V350 PolarHBondContact O-N 2.92Å
349R40.2Very low40.6Very low240 Ų240165.4 Ų165.491%0.90678%0.783SS**  trans-76.2112.5178.4-127.4-177.9-175.2111.7-1.4108.5M347 E351M347-R349 PolarHBondContact O-N 2.7Å; R349-E351 PolarHBondContact O-N 2.96Å
350V39.1Very low40.1Very low125 Ų125167.5 Ų167.576%0.75879%0.79SS**  trans-76.5114.3169.8-179.70000107.9E348E348-V350 PolarHBondContact O-N 2.92Å
351E38.1Very low39.6Very low185 Ų185168 Ų16886%0.86480%0.803SS**  trans-79.2112.6166.2-67.4-172.7159.100108.1R349R349-E351 PolarHBondContact O-N 2.96Å
352E35.9Very low38.8Very low181 Ų181168 Ų16885%0.84682%0.818SS**  trans-82.9118.6170.1-75.1-173.7157.100109.3
353E34.6Very low38Very low192 Ų192167.2 Ų167.290%0.89783%0.833SS**  trans-64.8127.9171.4-71.3-178.2142.100110.8E355E353-E355 PolarHBondContact O-N 2.82Å
354E33.7Very low37.1Very low201 Ų201166.3 Ų166.394%0.93984%0.842SS**  trans-74102.8174.2-70.6-172.4152.400111.4
355E31.2Very low36.1Very low185 Ų185166.5 Ų166.586%0.86485%0.85SS**  trans-89.2109.7162.4-94.4-162.1152.400111.6E353 T357E353-E355 PolarHBondContact O-N 2.82Å; E355-T357 PolarHBondContact O-N 3.12Å
356A35Very low35.1Very low104 Ų104168.5 Ų168.586%0.8686%0.855SS**  trans-74.5115.4174.600000112.2
357T30.5Very low34.3Very low136 Ų136162.3 Ų162.383%0.83486%0.856SS**  trans-117114.2164.844.10000112.3E355E355-T357 PolarHBondContact O-N 3.12Å
358K36.8Very low33.7Very low211 Ų211162.3 Ų162.392%0.91786%0.863SS**  trans-68127.8174-77.7173.3175.1168.90111.4
359R29.1Very low33.2Very low247 Ų247163 Ų16393%0.93286%0.863SS**  trans-136.8131.9152.1-74.2-170.8172179-1.6111.4
360K30Very low32.9Very low203 Ų203161.3 Ų161.388%0.88386%0.862SS**PPolyproline II helixtrans-67.5154.1-175.7-71.7176.2173.3178.10112.7
361P32Very low32.7Very low127 Ų127165.1 Ų165.183%0.82587%0.869SS**PPolyproline II helixtrans-86.4142.2176.334-30.7000112.3
362A29.6Very low32.4Very low103 Ų103165.4 Ų165.485%0.85187%0.867SS**PPolyproline II helixtrans-87.3141.2165.400000109.9
363A32.5Very low32.2Very low108 Ų108166.6 Ų166.689%0.89387%0.869SS**PPolyproline II helixtrans-72.4151.7-179.100000112.9
364G29.4Very low32Very low71 Ų71161.2 Ų161.273%0.73287%0.865SS**  trans158.2123.1157.700000115.1
365E32.2Very low32Very low190 Ų190155.6 Ų155.689%0.88886%0.862SS**  trans8883.4153.8-58.2-171.316100119.7
366E32.4Very low32.2Very low192 Ų192158.2 Ų158.290%0.89788%0.882SS**  51107.5117.5-64.9-165.6158.800119.9
367G29.9Very low32.1Very low78 Ų78161 Ų16180%0.80488%0.883SS**  trans-84.5140171.200000114.1
368V31.4Very low32.2Very low141 Ų141162.3 Ų162.386%0.85589%0.885SS**  trans-102.2101.5159.3177.40000108.5
369K33.9Very low31.9Very low202 Ų202159.6 Ų159.688%0.87888%0.884SS**  trans-84.4108.3171.8-83.8-178.9176.6173.40110.5
370K32.6Very low32.1Very low205 Ų205154.4 Ų154.489%0.89188%0.881SS**  trans-81.7108.7156.7-90.5178.6176.4169.40109.1
371K34.9Very low32.2Very low205 Ų205151.4 Ų151.489%0.89188%0.881SS**  trans-79.2127.8164.8-96.7-179.3172.8178.70109.5
372K32.8Very low32.2Very low191 Ų191153 Ų15383%0.8388%0.884SS**  trans-139.7123.8159.9-119.5-175.5-177177.30109.6
373K32.5Very low32.4Very low206 Ų206156.6 Ų156.690%0.89689%0.887SS**  trans64143.1156.8-62.6-177172.5-172.50116.9
374G29.8Very low32.4Very low79 Ų79160.3 Ų160.381%0.81489%0.886SS**  cis173.8175.94.900000109.6
375G34.1Very low32.6Very low83 Ų83167.8 Ų167.886%0.85690%0.899SS**  trans111.384.2165.500000115.1
376N35.2Very low32.7Very low241 Ų241165.7 Ų165.7100%1.28990%0.9SS**  -161.7094.1-151.624.7000109

Retrieved 376 of 376 residues in 99 ms (Link to these results)