G4VL63_SCHMA Loading...

UPF0020 domain-containing protein

AlphaFold DB , UniProt , Accession G4VL63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 365 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
1M89.3Confident89.8Confident137 Ų13749.7 Ų49.768%0.67528%0.28SS*.  01510-70.7-174.9-77.400108.7E49 M50M1-E49 HydrophobicContact CB-CB 4.02Å; M1-E49 HydrophobicContact SD-CB 4.41Å; M1-M50 CarbonylContact C-O 3.57Å; M1-M50 WeakPolarHBondContact CA-O 3.46Å; M1-M50 WeakPolarHBondContact CB-O 3.49Å
2K96.7Very high88.9Confident95 Ų9549.3 Ų49.341%0.41327%0.274SS..EExtended strand (participates in β ladder)trans-97.4151.1175.5-65.7176.1178.9-178.80109.6Y4 E49 M50K2-Y4 HydrophobicContact CB-CD2 4.46Å; K2-Y4 HydrophobicContact CB-CE2 3.62Å; K2-Y4 WeakPolarHBondContact CD-OH 3.3Å; K2-Y4 WeakPolarHBondContact O-CD2 3.46Å; K2-Y4 WeakPolarHBondContact O-CE2 3.25Å; K2-E49 VanDerWaalsContact O-CA 3.25Å; K2-E49 WeakPolarHBondContact O-CA 3.49Å; K2-M50 PolarHBondContact N-O 3Å; K2-M50 PolarHBondContact O-N 3.41Å
3K98.1Very high89Confident109 Ų10949.7 Ų49.747%0.47427%0.271SS..EExtended strand (participates in β ladder)trans-89.2137.4176.7-71.4179178.3-178.20110.6I48 E49 H71 L72K3-I48 CarbonylContact C-O 3.52Å; K3-I48 WeakPolarHBondContact CA-O 3.49Å; K3-E49 WeakPolarHBondContact CE-OE1 3.26Å; K3-E49 HydrophobicContact CG-CG 3.7Å; K3-H71 PolarHBondContact O-CD2 2.73Å; K3-L72 HydrophobicContact CB-CB 3.96Å; K3-L72 HydrophobicContact CB-CD2 4.12Å; K3-L72 HydrophobicContact CB-CG 4.47Å; K3-L72 WeakPolarHBondContact O-CB 3.42Å; K3-L72 PolarHBondContact O-N 2.74Å
4Y98.5Very high89.1Confident0 Ų048.7 Ų48.70%027%0.267CS..EExtended strand (participates in β ladder)trans-132.2159.8178.2-61.6-87.1000110.6K2 V47 I48 M50 N52 D53 V56 F70 H71 I178K2-Y4 HydrophobicContact CB-CD2 4.46Å; K2-Y4 HydrophobicContact CB-CE2 3.62Å; K2-Y4 WeakPolarHBondContact CD-OH 3.3Å; K2-Y4 WeakPolarHBondContact O-CD2 3.46Å; K2-Y4 WeakPolarHBondContact O-CE2 3.25Å; Y4-V47 CarbonylContact O-C 3.41Å; Y4-V47 VanDerWaalsContact O-CA 3.29Å; Y4-V47 WeakPolarHBondContact O-CA 3.49Å; Y4-I48 PolarHBondContact N-O 3.31Å; Y4-I48 PolarHBondContact O-N 2.84Å; Y4-M50 HydrophobicContact CD2-CB 4.07Å; Y4-M50 HydrophobicContact CE2-CB 4Å; Y4-N52 WeakPolarHBondContact OH-CA 3.47Å; Y4-N52 PolarHBondContact OH-O 3.46Å; Y4-D53 WeakPolarHBondContact CE1-OD1 3.41Å; Y4-D53 PolarHBondContact OH-N 3.32Å; Y4-D53 PolarHBondContact OH-OD1 3.39Å; Y4-V56 HydrophobicContact CD1-CB 4.45Å; Y4-V56 HydrophobicContact CD1-CG1 4.27Å; Y4-V56 HydrophobicContact CD1-CG2 3.74Å; Y4-V56 HydrophobicContact CD2-CG2 3.59Å; Y4-V56 HydrophobicContact CE1-CB 4.48Å; Y4-V56 HydrophobicContact CE1-CG2 3.84Å; Y4-V56 HydrophobicContact CE2-CG2 3.67Å; Y4-V56 HydrophobicContact CG-CG2 3.63Å; Y4-F70 CarbonylContact C-O 3.48Å; Y4-F70 WeakPolarHBondContact CA-O 3.09Å; Y4-F70 WeakPolarHBondContact CB-O 3.49Å; Y4-H71 HydrophobicContact CD1-CB 4.17Å; Y4-H71 HydrophobicContact CE1-CB 4Å; Y4-H71 AromaticContact CE1-CD2 3.98Å; Y4-I178 HydrophobicContact CD1-CG1 4.07Å; Y4-I178 HydrophobicContact CE1-CD1 4.23Å; Y4-I178 HydrophobicContact CE1-CG1 4.01Å
5V98.1Very high89.3Confident1 Ų150.3 Ų50.31%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-119.4124.1172.6-176.20000109.4F45 V46 V47 A69 F70 L72 L150 L173V5-F45 HydrophobicContact CG1-CB 3.87Å; V5-F45 HydrophobicContact CG1-CD1 4.4Å; V5-V46 CarbonylContact C-O 3.59Å; V5-V46 WeakPolarHBondContact CA-O 3.25Å; V5-V47 HydrophobicContact CG2-CG2 4.25Å; V5-A69 CarbonylContact O-C 3.47Å; V5-A69 WeakPolarHBondContact O-CA 3.07Å; V5-F70 HydrophobicContact CB-CB 4.46Å; V5-F70 HydrophobicContact CB-CD2 4.29Å; V5-F70 PolarHBondContact N-O 2.89Å; V5-F70 PolarHBondContact O-N 2.79Å; V5-L72 HydrophobicContact CG2-CB 4.01Å; V5-L72 HydrophobicContact CG2-CD1 3.63Å; V5-L72 HydrophobicContact CG2-CD2 4.02Å; V5-L72 HydrophobicContact CG2-CG 4.1Å; V5-L150 HydrophobicContact CB-CD1 4.44Å; V5-L150 HydrophobicContact CG1-CD1 3.9Å; V5-L173 HydrophobicContact CG1-CD1 3.81Å; V5-L173 HydrophobicContact CG2-CB 4.43Å; V5-L173 HydrophobicContact CG2-CD1 4.1Å; V5-L173 HydrophobicContact CG2-CD2 4.24Å
6F97.3Very high89.6Confident0 Ų052.4 Ų52.40%028%0.281CS..EExtended strand (participates in β ladder)trans-88.4122162.4-66-38000110.4F8 F21 F45 V46 I48 M50 V56 I59 I60 I66 A69F6-F8 HydrophobicContact CB-CD2 4.45Å; F6-F8 HydrophobicContact CB-CE2 3.66Å; F6-F8 HydrophobicContact CB-CZ 3.99Å; F6-F21 HydrophobicContact CD2-CD2 4.3Å; F6-F21 AromaticContact CE2-CD2 3.51Å; F6-F21 HydrophobicContact CE2-CD2 3.51Å; F6-F21 AromaticContact CE2-CE2 3.48Å; F6-F21 HydrophobicContact CE2-CE2 3.48Å; F6-F21 VanDerWaalsContact CE2-CE2 3.48Å; F6-F21 HydrophobicContact CE2-CG 4.45Å; F6-F21 HydrophobicContact CE2-CZ 4.39Å; F6-F21 HydrophobicContact CZ-CD2 4.22Å; F6-F21 AromaticContact CZ-CE2 3.99Å; F6-F21 HydrophobicContact CZ-CE2 3.99Å; F6-F45 WeakPolarHBondContact O-CA 3.46Å; F6-V46 PolarHBondContact N-O 3.04Å; F6-V46 PolarHBondContact O-N 3.05Å; F6-I48 HydrophobicContact CD2-CG2 3.98Å; F6-I48 HydrophobicContact CE2-CB 4.45Å; F6-I48 HydrophobicContact CE2-CD1 3.96Å; F6-I48 HydrophobicContact CE2-CG2 3.67Å; F6-I48 HydrophobicContact CZ-CG2 4Å; F6-M50 HydrophobicContact CZ-SD 4.31Å; F6-V56 HydrophobicContact CE1-CG1 4.11Å; F6-I59 HydrophobicContact CZ-CG2 4.27Å; F6-I60 HydrophobicContact CE1-CD1 4.38Å; F6-I60 HydrophobicContact CE1-CG1 4.26Å; F6-I66 HydrophobicContact CB-CD1 4.46Å; F6-I66 HydrophobicContact CB-CG1 4.3Å; F6-I66 HydrophobicContact CB-CG2 4.15Å; F6-I66 HydrophobicContact CD1-CD1 3.97Å; F6-I66 HydrophobicContact CD1-CG2 3.9Å; F6-I66 HydrophobicContact CD2-CD1 3.9Å; F6-I66 HydrophobicContact CE1-CD1 4.14Å; F6-I66 HydrophobicContact CE2-CD1 4.08Å; F6-I66 HydrophobicContact CG-CD1 3.86Å; F6-I66 HydrophobicContact CG-CG1 4.23Å; F6-I66 HydrophobicContact CG-CG2 4.23Å; F6-I66 HydrophobicContact CZ-CD1 4.21Å; F6-A69 HydrophobicContact CD1-CB 3.53Å; F6-A69 HydrophobicContact CE1-CB 3.75Å
7S96.1Very high89.9Confident9 Ų949.4 Ų49.46%0.06327%0.265CS..EExtended strand (participates in β ladder)trans-93.7129.5169176.30000110.3P44 F45 K67 S68S7-P44 WeakPolarHBondContact CA-O 3.45Å; S7-F45 WeakPolarHBondContact OG-CE1 3.48Å; S7-K67 WeakPolarHBondContact O-CB 3.29Å; S7-K67 PolarHBondContact O-N 2.91Å; S7-S68 PolarHBondContact N-O 3Å
8F94.2Very high90.2Very high8 Ų849.6 Ų49.64%0.03526%0.261CS..EExtended strand (participates in β ladder)trans-107.6157.1176.4-64.8-88.4000111.6F6 A10 R17 W41 P44 V46 L65 I66F6-F8 HydrophobicContact CB-CD2 4.45Å; F6-F8 HydrophobicContact CB-CE2 3.66Å; F6-F8 HydrophobicContact CB-CZ 3.99Å; F8-A10 PolarHBondContact O-N 3.49Å; F8-R17 HydrophobicContact CD1-CB 4.21Å; F8-R17 HydrophobicContact CD1-CG 3.56Å; F8-R17 HydrophobicContact CE1-CB 3.76Å; F8-R17 HydrophobicContact CE1-CG 3.63Å; F8-R17 HydrophobicContact CG-CG 4.2Å; F8-R17 HydrophobicContact CZ-CB 4.12Å; F8-R17 HydrophobicContact CZ-CG 4.34Å; F8-W41 HydrophobicContact CE2-CZ3 4.46Å; F8-W41 HydrophobicContact CZ-CE3 4.26Å; F8-W41 AromaticContact CZ-CZ3 3.9Å; F8-W41 HydrophobicContact CZ-CZ3 3.9Å; F8-P44 PolarHBondContact N-O 3Å; F8-V46 HydrophobicContact CD2-CG2 4.15Å; F8-V46 HydrophobicContact CE2-CB 4Å; F8-V46 HydrophobicContact CE2-CG2 3.66Å; F8-L65 HydrophobicContact CD1-CB 4.01Å; F8-L65 WeakPolarHBondContact CD1-O 3.28Å; F8-L65 HydrophobicContact CE1-CB 4.11Å; F8-I66 HydrophobicContact CD1-CG1 4.24Å; F8-I66 HydrophobicContact CE1-CB 4.33Å; F8-I66 HydrophobicContact CE1-CG1 3.43Å; F8-I66 VanDerWaalsContact CE1-CG1 3.43Å; F8-I66 HydrophobicContact CZ-CD1 4.48Å; F8-I66 HydrophobicContact CZ-CG1 3.65Å
9A78.8Confident90.5Very high30 Ų3050.3 Ų50.325%0.24827%0.265CS..  trans-66.7126.6161.300000108.9S11 R17A9-S11 PolarHBondContact O-N 3.11Å; A9-R17 PolarHBondContact O-NH2 3.29Å
10A67.4Low90.8Very high46 Ų4647.9 Ų47.938%0.3825%0.252SS..THydrogen-bonded Turntrans-57.5-27.5-162.400000115.7F8 R17F8-A10 PolarHBondContact O-N 3.49Å; A10-R17 PolarHBondContact O-NH2 3.5Å
11S73.1Confident91.1Very high112 Ų11245.6 Ų45.678%0.78324%0.24SC*.THydrogen-bonded Turntrans-130.50.5-165.659.30000116A9A9-S11 PolarHBondContact O-N 3.11Å
12E79Confident91.5Very high45 Ų4542.8 Ų42.821%0.2122%0.224CC..SBendtrans-99.5127-176.1-171.4-179.3-174.100110.5V14 R183 T206E12-V14 PolarHBondContact O-N 3.09Å; E12-R183 IonicContact OE2-CZ 2.66Å; E12-R183 IonicContact OE2-NE 3.64Å; E12-R183 IonicContact OE2-NH2 3.94Å; E12-R183 PolarHBondContact OE2-NH2 3.39Å; E12-T206 WeakPolarHBondContact OE1-CB 3.33Å; E12-T206 PolarHBondContact OE1-OG1 3.35Å
13F90.2Very high91.6Very high54 Ų5438.6 Ų38.624%0.23721%0.206CC..SBendtrans47.138.5171.1-65.3-55.6000114.2N15 F16 L65 N204 T206 L207 I210F13-N15 PolarHBondContact O-N 3.48Å; F13-N15 VanDerWaalsContact O-N 3.14Å; F13-F16 HydrophobicContact CB-CB 4.5Å; F13-F16 HydrophobicContact CB-CD2 3.81Å; F13-F16 AromaticContact CD1-CD2 3.88Å; F13-F16 HydrophobicContact CD1-CD2 3.88Å; F13-F16 AromaticContact CD1-CE2 3.92Å; F13-F16 HydrophobicContact CD1-CE2 3.92Å; F13-F16 HydrophobicContact CG-CD2 4.22Å; F13-F16 WeakPolarHBondContact O-CB 3.28Å; F13-F16 PolarHBondContact O-N 3.38Å; F13-L65 HydrophobicContact CB-CD2 3.74Å; F13-N204 WeakPolarHBondContact CE2-OD1 3.38Å; F13-N204 HydrophobicContact CZ-CB 4.44Å; F13-T206 HydrophobicContact CD2-CG2 3.83Å; F13-T206 HydrophobicContact CE2-CG2 4.17Å; F13-L207 HydrophobicContact CD1-CD1 4.15Å; F13-L207 HydrophobicContact CE1-CB 4.07Å; F13-L207 HydrophobicContact CE1-CD1 4Å; F13-L207 HydrophobicContact CE1-CD2 4.25Å; F13-L207 HydrophobicContact CE1-CG 4.34Å; F13-L207 HydrophobicContact CE2-CB 4.26Å; F13-L207 HydrophobicContact CZ-CB 3.81Å; F13-I210 HydrophobicContact CB-CD1 3.73Å; F13-I210 HydrophobicContact CD2-CD1 3.9Å; F13-I210 HydrophobicContact CG-CD1 3.81Å
14V91.3Very high91.5Very high36 Ų3633.5 Ų33.522%0.21818%0.184CC..G310 helixtrans-57.6-34.9-171.1-55.80000113.3E12 F16 R17 L42E12-V14 PolarHBondContact O-N 3.09Å; V14-F16 PolarHBondContact O-N 3.26Å; V14-R17 WeakPolarHBondContact O-CG 3.37Å; V14-R17 PolarHBondContact O-N 3.11Å; V14-L42 HydrophobicContact CB-CD2 4.06Å; V14-L42 HydrophobicContact CG2-CD2 3.63Å
15N90.9Very high91.5Very high73 Ų7333.5 Ų33.539%0.3919%0.185SC..G310 helixtrans-67.8-16.2178-66.5-30.7000113.5F13F13-N15 PolarHBondContact O-N 3.48Å; F13-N15 VanDerWaalsContact O-N 3.14Å
16F94.5Very high91.5Very high83 Ų8339 Ų3936%0.36421%0.21SC..G310 helixtrans-98.3-5.2-177.6-62.2-71.8000113.6F13 V14 W18 I19 E20 L65 L207 I210F13-F16 HydrophobicContact CB-CB 4.5Å; F13-F16 HydrophobicContact CB-CD2 3.81Å; F13-F16 AromaticContact CD1-CD2 3.88Å; F13-F16 HydrophobicContact CD1-CD2 3.88Å; F13-F16 AromaticContact CD1-CE2 3.92Å; F13-F16 HydrophobicContact CD1-CE2 3.92Å; F13-F16 HydrophobicContact CG-CD2 4.22Å; F13-F16 WeakPolarHBondContact O-CB 3.28Å; F13-F16 PolarHBondContact O-N 3.38Å; V14-F16 PolarHBondContact O-N 3.26Å; F16-W18 PolarHBondContact O-N 3.24Å; F16-I19 HydrophobicContact CB-CG2 4.25Å; F16-I19 HydrophobicContact CD1-CG2 4.14Å; F16-I19 WeakPolarHBondContact O-CG2 3.26Å; F16-I19 PolarHBondContact O-N 3.41Å; F16-E20 WeakPolarHBondContact O-CB 3.13Å; F16-E20 PolarHBondContact O-N 3.13Å; F16-L65 HydrophobicContact CB-CD1 3.98Å; F16-L207 HydrophobicContact CD2-CD1 4.46Å; F16-L207 HydrophobicContact CE2-CD1 4.01Å; F16-L207 HydrophobicContact CZ-CD1 4.23Å; F16-I210 HydrophobicContact CB-CD1 4.16Å; F16-I210 HydrophobicContact CB-CG2 3.89Å; F16-I210 HydrophobicContact CD1-CG2 4.36Å; F16-I210 HydrophobicContact CG-CG2 4.22Å
17R95.2Very high91.4Very high2 Ų240.6 Ų40.61%0.00822%0.218CC..Hα-helixtrans-60.5-45.8-176.8-66.2171.7177.6162.2-2.6112.4F8 A9 A10 V14 F21 W41 L42 R43 L65F8-R17 HydrophobicContact CD1-CB 4.21Å; F8-R17 HydrophobicContact CD1-CG 3.56Å; F8-R17 HydrophobicContact CE1-CB 3.76Å; F8-R17 HydrophobicContact CE1-CG 3.63Å; F8-R17 HydrophobicContact CG-CG 4.2Å; F8-R17 HydrophobicContact CZ-CB 4.12Å; F8-R17 HydrophobicContact CZ-CG 4.34Å; A9-R17 PolarHBondContact O-NH2 3.29Å; A10-R17 PolarHBondContact O-NH2 3.5Å; V14-R17 WeakPolarHBondContact O-CG 3.37Å; V14-R17 PolarHBondContact O-N 3.11Å; R17-F21 WeakPolarHBondContact O-CB 3.4Å; R17-F21 PolarHBondContact O-N 3.39Å; R17-W41 HydrophobicContact CB-CE3 3.83Å; R17-W41 HydrophobicContact CB-CZ3 4.46Å; R17-W41 WeakPolarHBondContact CD-O 3.46Å; R17-W41 PolarHBondContact NH1-O 2.87Å; R17-L42 PolarHBondContact NH1-O 2.88Å; R17-R43 PolarHBondContact NH1-O 3.47Å; R17-L65 HydrophobicContact CB-CD1 4.43Å; R17-L65 HydrophobicContact CG-CB 4.4Å; R17-L65 HydrophobicContact CG-CD1 4.02Å
18W95.5Very high91.4Very high53 Ų5343.2 Ų43.220%0.20123%0.229CC..Hα-helixtrans-61.8-53.7178.1168.8-133.6000111.7F16 E20 F21 K22 Y32 V34 E36 W41F16-W18 PolarHBondContact O-N 3.24Å; W18-E20 VanDerWaalsContact C-N 3.35Å; W18-E20 PolarHBondContact O-N 3.5Å; W18-F21 HydrophobicContact CE3-CD1 4.04Å; W18-F21 AromaticContact CZ3-CD1 3.82Å; W18-F21 HydrophobicContact CZ3-CD1 3.82Å; W18-F21 HydrophobicContact CZ3-CE1 4.16Å; W18-F21 PolarHBondContact O-N 2.92Å; W18-K22 HydrophobicContact CD2-CB 4.47Å; W18-K22 HydrophobicContact CE3-CB 4.32Å; W18-K22 HydrophobicContact CH2-CB 4.32Å; W18-K22 HydrophobicContact CH2-CD 4.25Å; W18-K22 HydrophobicContact CZ2-CB 4.44Å; W18-K22 HydrophobicContact CZ2-CD 3.8Å; W18-K22 HydrophobicContact CZ3-CB 4.25Å; W18-K22 WeakPolarHBondContact O-CB 3.43Å; W18-K22 PolarHBondContact O-N 3.03Å; W18-Y32 HydrophobicContact CH2-CE2 4.18Å; W18-Y32 HydrophobicContact CZ3-CE2 4.25Å; W18-V34 HydrophobicContact CH2-CG1 4.35Å; W18-V34 HydrophobicContact CZ3-CG1 3.91Å; W18-E36 HydrophobicContact CH2-CG 3.72Å; W18-E36 HydrophobicContact CZ2-CB 4.2Å; W18-E36 HydrophobicContact CZ2-CG 3.73Å; W18-W41 HydrophobicContact CB-CB 4.26Å; W18-W41 HydrophobicContact CB-CD2 3.78Å; W18-W41 HydrophobicContact CB-CE3 4.19Å; W18-W41 HydrophobicContact CB-CG 3.77Å; W18-W41 HydrophobicContact CD2-CZ2 4.42Å; W18-W41 HydrophobicContact CE3-CD2 4.2Å; W18-W41 AromaticContact CE3-CE2 3.42Å; W18-W41 VanDerWaalsContact CE3-CE2 3.42Å; W18-W41 AromaticContact CE3-CH2 3.99Å; W18-W41 HydrophobicContact CE3-CH2 3.99Å; W18-W41 AromaticContact CE3-CZ2 3.32Å; W18-W41 HydrophobicContact CE3-CZ2 3.32Å; W18-W41 AromaticContact CE3-NE1 3.67Å; W18-W41 HydrophobicContact CZ3-CH2 4.48Å; W18-W41 AromaticContact CZ3-CZ2 3.71Å; W18-W41 HydrophobicContact CZ3-CZ2 3.71Å
19I96Very high91.5Very high63 Ų6351.3 Ų51.332%0.32327%0.267SS..Hα-helixtrans-66.8-36.6-175.3-168.861.8000112F16 S23 V214F16-I19 HydrophobicContact CB-CG2 4.25Å; F16-I19 HydrophobicContact CD1-CG2 4.14Å; F16-I19 WeakPolarHBondContact O-CG2 3.26Å; F16-I19 PolarHBondContact O-N 3.41Å; I19-S23 WeakPolarHBondContact O-CB 3.47Å; I19-S23 PolarHBondContact O-N 3.07Å; I19-S23 PolarHBondContact O-OG 3Å; I19-V214 HydrophobicContact CG1-CG1 4.01Å; I19-V214 HydrophobicContact CG1-CG2 3.94Å; I19-V214 HydrophobicContact CG2-CG2 4.07Å
20E96.2Very high92.4Very high1 Ų151.7 Ų51.71%0.00527%0.265CS..Hα-helixtrans-62.2-52.8173.3-171.6-166.7-147.300110.4F16 W18 K22 S23 L24 S63 V64 L65 N213F16-E20 WeakPolarHBondContact O-CB 3.13Å; F16-E20 PolarHBondContact O-N 3.13Å; W18-E20 VanDerWaalsContact C-N 3.35Å; W18-E20 PolarHBondContact O-N 3.5Å; E20-K22 VanDerWaalsContact C-N 3.35Å; E20-K22 PolarHBondContact O-N 2.95Å; E20-S23 PolarHBondContact O-N 3.21Å; E20-L24 HydrophobicContact CG-CD1 4.06Å; E20-L24 HydrophobicContact CG-CG 4.42Å; E20-L24 WeakPolarHBondContact O-CG 3.26Å; E20-L24 PolarHBondContact O-N 3.01Å; E20-S63 PolarHBondContact OE2-OG 2.98Å; E20-V64 WeakPolarHBondContact OE1-CG2 3.46Å; E20-V64 PolarHBondContact OE1-N 3.28Å; E20-L65 HydrophobicContact CB-CD1 4.11Å; E20-L65 WeakPolarHBondContact OE2-CB 3.46Å; E20-L65 VanDerWaalsContact OE2-CG 3.31Å; E20-L65 WeakPolarHBondContact OE2-CG 3.42Å; E20-L65 PolarHBondContact OE2-N 3.42Å; E20-N213 HydrophobicContact CG-CB 4.1Å; E20-N213 PolarHBondContact OE1-ND2 3.26Å
21F96.9Very high93.8Very high1 Ų154 Ų540%0.00428%0.278CS..Hα-helixtrans-56.2-49.7179.8167.3-100.1000111.6F6 R17 W18 S23 L24 A25 Y32 W41 I48 I59F6-F21 HydrophobicContact CD2-CD2 4.3Å; F6-F21 AromaticContact CE2-CD2 3.51Å; F6-F21 HydrophobicContact CE2-CD2 3.51Å; F6-F21 AromaticContact CE2-CE2 3.48Å; F6-F21 HydrophobicContact CE2-CE2 3.48Å; F6-F21 VanDerWaalsContact CE2-CE2 3.48Å; F6-F21 HydrophobicContact CE2-CG 4.45Å; F6-F21 HydrophobicContact CE2-CZ 4.39Å; F6-F21 HydrophobicContact CZ-CD2 4.22Å; F6-F21 AromaticContact CZ-CE2 3.99Å; F6-F21 HydrophobicContact CZ-CE2 3.99Å; R17-F21 WeakPolarHBondContact O-CB 3.4Å; R17-F21 PolarHBondContact O-N 3.39Å; W18-F21 HydrophobicContact CE3-CD1 4.04Å; W18-F21 AromaticContact CZ3-CD1 3.82Å; W18-F21 HydrophobicContact CZ3-CD1 3.82Å; W18-F21 HydrophobicContact CZ3-CE1 4.16Å; W18-F21 PolarHBondContact O-N 2.92Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 2.66Å; F21-L24 PolarHBondContact O-N 3.16Å; F21-L24 VanDerWaalsContact O-N 3.16Å; F21-A25 HydrophobicContact CE1-CB 4.47Å; F21-A25 HydrophobicContact CE2-CB 4.42Å; F21-A25 HydrophobicContact CZ-CB 4.07Å; F21-A25 PolarHBondContact O-N 3.38Å; F21-Y32 HydrophobicContact CE1-CD1 4.19Å; F21-Y32 AromaticContact CE1-CD2 3.77Å; F21-Y32 HydrophobicContact CE1-CD2 3.77Å; F21-Y32 HydrophobicContact CE1-CE1 4.12Å; F21-Y32 AromaticContact CE1-CE2 3.69Å; F21-Y32 HydrophobicContact CE1-CE2 3.69Å; F21-Y32 HydrophobicContact CE1-CG 4.02Å; F21-Y32 AromaticContact CE1-CZ 3.86Å; F21-Y32 AromaticContact CZ-CD1 3.97Å; F21-Y32 HydrophobicContact CZ-CD1 3.97Å; F21-Y32 HydrophobicContact CZ-CD2 4.05Å; F21-Y32 HydrophobicContact CZ-CE1 4.28Å; F21-Y32 HydrophobicContact CZ-CE2 4.35Å; F21-Y32 AromaticContact CZ-CG 3.85Å; F21-Y32 HydrophobicContact CZ-CG 3.85Å; F21-W41 HydrophobicContact CB-CH2 3.61Å; F21-W41 HydrophobicContact CB-CZ3 3.71Å; F21-W41 AromaticContact CD1-CH2 3.34Å; F21-W41 HydrophobicContact CD1-CH2 3.34Å; F21-W41 AromaticContact CD1-CZ2 3.83Å; F21-W41 HydrophobicContact CD1-CZ2 3.83Å; F21-W41 HydrophobicContact CD1-CZ3 4.31Å; F21-W41 HydrophobicContact CD2-CH2 4.39Å; F21-W41 HydrophobicContact CE1-CH2 4.2Å; F21-W41 HydrophobicContact CE1-CZ2 4.47Å; F21-W41 AromaticContact CG-CH2 3.47Å; F21-W41 HydrophobicContact CG-CH2 3.47Å; F21-W41 VanDerWaalsContact CG-CH2 3.47Å; F21-W41 HydrophobicContact CG-CZ2 4.4Å; F21-W41 HydrophobicContact CG-CZ3 4.08Å; F21-I48 HydrophobicContact CD1-CD1 4.47Å; F21-I48 HydrophobicContact CE1-CD1 3.53Å; F21-I48 HydrophobicContact CE2-CD1 3.6Å; F21-I48 HydrophobicContact CZ-CD1 3.03Å; F21-I59 HydrophobicContact CD2-CG2 4.01Å; F21-I59 HydrophobicContact CE2-CD1 4.43Å; F21-I59 HydrophobicContact CE2-CG1 4.31Å; F21-I59 HydrophobicContact CE2-CG2 4.29Å
22K97.3Very high95Very high78 Ų7851.7 Ų51.734%0.33925%0.253SS..Hα-helixtrans-56.1-43.3178.8-179.9173.4-179.3169.20111.7W18 E20 A25 E26W18-K22 HydrophobicContact CD2-CB 4.47Å; W18-K22 HydrophobicContact CE3-CB 4.32Å; W18-K22 HydrophobicContact CH2-CB 4.32Å; W18-K22 HydrophobicContact CH2-CD 4.25Å; W18-K22 HydrophobicContact CZ2-CB 4.44Å; W18-K22 HydrophobicContact CZ2-CD 3.8Å; W18-K22 HydrophobicContact CZ3-CB 4.25Å; W18-K22 WeakPolarHBondContact O-CB 3.43Å; W18-K22 PolarHBondContact O-N 3.03Å; E20-K22 VanDerWaalsContact C-N 3.35Å; E20-K22 PolarHBondContact O-N 2.95Å; K22-A25 PolarHBondContact O-N 2.87Å; K22-E26 WeakPolarHBondContact O-CB 3.49Å; K22-E26 PolarHBondContact O-N 3.14Å
23S98Very high95.8Very high6 Ų652.3 Ų52.34%0.04226%0.262CS..Hα-helixtrans-68-37.4180-52.40000112.3I19 E20 F21 M27 N213 V214 L216I19-S23 WeakPolarHBondContact O-CB 3.47Å; I19-S23 PolarHBondContact O-N 3.07Å; I19-S23 PolarHBondContact O-OG 3Å; E20-S23 PolarHBondContact O-N 3.21Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 2.66Å; S23-M27 VanDerWaalsContact O-CB 3.31Å; S23-M27 WeakPolarHBondContact O-CB 3.28Å; S23-M27 PolarHBondContact O-N 3.26Å; S23-N213 WeakPolarHBondContact CB-O 3.4Å; S23-V214 WeakPolarHBondContact OG-CA 3.33Å; S23-L216 VanDerWaalsContact O-CD2 3.3Å; S23-L216 WeakPolarHBondContact O-CD2 3.39Å
24L97.5Very high96.1Very high2 Ų251 Ų511%0.0126%0.259CS..Hα-helixtrans-68.2-39.8175.1-66174.7000111.8E20 F21 M27 E28 I59 R62 N213E20-L24 HydrophobicContact CG-CD1 4.06Å; E20-L24 HydrophobicContact CG-CG 4.42Å; E20-L24 WeakPolarHBondContact O-CG 3.26Å; E20-L24 PolarHBondContact O-N 3.01Å; F21-L24 PolarHBondContact O-N 3.16Å; F21-L24 VanDerWaalsContact O-N 3.16Å; L24-M27 PolarHBondContact O-N 3.29Å; L24-E28 WeakPolarHBondContact O-CG 3.34Å; L24-E28 PolarHBondContact O-N 2.97Å; L24-E28 VanDerWaalsContact O-N 3.07Å; L24-I59 VanDerWaalsContact C-CD1 3.43Å; L24-I59 HydrophobicContact CB-CD1 3.63Å; L24-I59 HydrophobicContact CB-CG2 4.29Å; L24-I59 HydrophobicContact CD1-CG2 4.05Å; L24-R62 HydrophobicContact CD2-CB 3.98Å; L24-R62 HydrophobicContact CD2-CG 3.58Å; L24-N213 HydrophobicContact CD2-CB 4.15Å
25A97.8Very high96.1Very high1 Ų151.9 Ų51.91%0.00827%0.266CS..Hα-helixtrans-66.8-39.217600000112.1F21 K22 Q29 L30 Y32 I59F21-A25 HydrophobicContact CE1-CB 4.47Å; F21-A25 HydrophobicContact CE2-CB 4.42Å; F21-A25 HydrophobicContact CZ-CB 4.07Å; F21-A25 PolarHBondContact O-N 3.38Å; K22-A25 PolarHBondContact O-N 2.87Å; A25-Q29 WeakPolarHBondContact O-CA 3.15Å; A25-Q29 PolarHBondContact O-N 3.45Å; A25-L30 PolarHBondContact O-N 2.88Å; A25-Y32 HydrophobicContact CB-CD1 3.67Å; A25-Y32 HydrophobicContact CB-CE1 3.37Å; A25-I59 HydrophobicContact CB-CD1 4.13Å
26E97.6Very high96Very high116 Ų11654.3 Ų54.354%0.54228%0.275SS..Hα-helixtrans-62.3-45.5172.3-178.1177.1160.200111.6K22 E28 Q29K22-E26 WeakPolarHBondContact O-CB 3.49Å; K22-E26 PolarHBondContact O-N 3.14Å; E26-E28 VanDerWaalsContact C-N 3.35Å; E26-E28 PolarHBondContact O-N 3.43Å; E26-Q29 PolarHBondContact O-N 3.11Å; E26-Q29 VanDerWaalsContact O-N 3.11Å
27M96Very high95.9Very high33 Ų3352.9 Ų52.916%0.16328%0.275CS..Hα-helixtrans-60.5-42.1180-178178.9-62.100113.1S23 L24 Q29 R62 L216S23-M27 VanDerWaalsContact O-CB 3.31Å; S23-M27 WeakPolarHBondContact O-CB 3.28Å; S23-M27 PolarHBondContact O-N 3.26Å; L24-M27 PolarHBondContact O-N 3.29Å; M27-Q29 VanDerWaalsContact C-N 3.31Å; M27-R62 PolarHBondContact SD-NH1 2.99Å; M27-L216 HydrophobicContact CB-CD2 4.33Å; M27-L216 VanDerWaalsContact CE-C 3.5Å; M27-L216 VanDerWaalsContact CE-CA 3.45Å; M27-L216 HydrophobicContact CE-CB 4.17Å; M27-L216 HydrophobicContact CE-CD2 4.2Å
28E96.2Very high95.6Very high65 Ų6559.5 Ų59.530%0.30430%0.304SS..THydrogen-bonded Turntrans-89.81.9179-56.5-75.7143.100112.1L24 E26 L30 K61L24-E28 WeakPolarHBondContact O-CG 3.34Å; L24-E28 PolarHBondContact O-N 2.97Å; L24-E28 VanDerWaalsContact O-N 3.07Å; E26-E28 VanDerWaalsContact C-N 3.35Å; E26-E28 PolarHBondContact O-N 3.43Å; E28-L30 VanDerWaalsContact C-N 3.3Å; E28-L30 HydrophobicContact CB-CD1 3.72Å; E28-L30 HydrophobicContact CB-CG 3.73Å; E28-L30 PolarHBondContact O-N 2.94Å; E28-K61 IonicContact OE1-NZ 2.87Å; E28-K61 IonicContact OE2-NZ 2.77Å; E28-K61 PolarHBondContact OE2-NZ 3.37Å
29Q97Very high95.3Very high178 Ų17862.5 Ų62.583%0.83232%0.324SS*.THydrogen-bonded Turntrans54.240.8-179.4-57176.920.400113.7A25 E26 M27A25-Q29 WeakPolarHBondContact O-CA 3.15Å; A25-Q29 PolarHBondContact O-N 3.45Å; E26-Q29 PolarHBondContact O-N 3.11Å; E26-Q29 VanDerWaalsContact O-N 3.11Å; M27-Q29 VanDerWaalsContact C-N 3.31Å
30L97.2Very high95.1Very high37 Ų3762.2 Ų62.219%0.19432%0.323CS..  trans-92.2137.4-174.1-62.5173.5000111.9A25 E28 Y32 M50 S55 I59A25-L30 PolarHBondContact O-N 2.88Å; E28-L30 VanDerWaalsContact C-N 3.3Å; E28-L30 HydrophobicContact CB-CD1 3.72Å; E28-L30 HydrophobicContact CB-CG 3.73Å; E28-L30 PolarHBondContact O-N 2.94Å; L30-Y32 WeakPolarHBondContact O-CD1 3.3Å; L30-M50 HydrophobicContact CB-CE 4.03Å; L30-M50 HydrophobicContact CD1-CE 3.81Å; L30-M50 HydrophobicContact CG-CE 4.5Å; L30-S55 VanDerWaalsContact CD1-O 3.28Å; L30-S55 WeakPolarHBondContact CD1-O 3.48Å; L30-I59 HydrophobicContact CD1-CD1 3.92Å; L30-I59 HydrophobicContact CD1-CG1 3.98Å
31S96.8Very high95Very high96 Ų9662.4 Ų62.467%0.67132%0.324SS*.  trans-82.1138.2169-65.80000110.8
32Y97.2Very high94.7Very high62 Ų6265.6 Ų65.624%0.24334%0.341CS..EExtended strand (participates in β ladder)trans-149.8160.8177.760.3-90.7000111.6W18 F21 A25 L30 V34 I48 E49W18-Y32 HydrophobicContact CH2-CE2 4.18Å; W18-Y32 HydrophobicContact CZ3-CE2 4.25Å; F21-Y32 HydrophobicContact CE1-CD1 4.19Å; F21-Y32 AromaticContact CE1-CD2 3.77Å; F21-Y32 HydrophobicContact CE1-CD2 3.77Å; F21-Y32 HydrophobicContact CE1-CE1 4.12Å; F21-Y32 AromaticContact CE1-CE2 3.69Å; F21-Y32 HydrophobicContact CE1-CE2 3.69Å; F21-Y32 HydrophobicContact CE1-CG 4.02Å; F21-Y32 AromaticContact CE1-CZ 3.86Å; F21-Y32 AromaticContact CZ-CD1 3.97Å; F21-Y32 HydrophobicContact CZ-CD1 3.97Å; F21-Y32 HydrophobicContact CZ-CD2 4.05Å; F21-Y32 HydrophobicContact CZ-CE1 4.28Å; F21-Y32 HydrophobicContact CZ-CE2 4.35Å; F21-Y32 AromaticContact CZ-CG 3.85Å; F21-Y32 HydrophobicContact CZ-CG 3.85Å; A25-Y32 HydrophobicContact CB-CD1 3.67Å; A25-Y32 HydrophobicContact CB-CE1 3.37Å; L30-Y32 WeakPolarHBondContact O-CD1 3.3Å; Y32-V34 HydrophobicContact CD2-CB 4.39Å; Y32-V34 HydrophobicContact CD2-CG1 3.74Å; Y32-V34 HydrophobicContact CE2-CG1 3.77Å; Y32-I48 HydrophobicContact CD2-CD1 4.24Å; Y32-I48 HydrophobicContact CG-CD1 4.27Å; Y32-E49 CarbonylContact C-O 3.54Å; Y32-E49 WeakPolarHBondContact CA-O 3.4Å; Y32-E49 WeakPolarHBondContact CB-O 3.43Å
33S97.4Very high94.4Very high58 Ų5865.4 Ų65.441%0.40634%0.338SS..EExtended strand (participates in β ladder)trans-128.2125.2168.9171.10000109.4E49S33-E49 PolarHBondContact N-O 3.26Å; S33-E49 PolarHBondContact O-N 3.27Å
34V95.6Very high94.2Very high28 Ų2865.3 Ų65.317%0.1734%0.337CS..  trans-154.6155.9-175.670.10000110.4W18 Y32 E36 W41 V46 I48W18-V34 HydrophobicContact CH2-CG1 4.35Å; W18-V34 HydrophobicContact CZ3-CG1 3.91Å; Y32-V34 HydrophobicContact CD2-CB 4.39Å; Y32-V34 HydrophobicContact CD2-CG1 3.74Å; Y32-V34 HydrophobicContact CE2-CG1 3.77Å; V34-E36 PolarHBondContact O-N 2.84Å; V34-W41 HydrophobicContact CG1-CZ2 4.14Å; V34-W41 HydrophobicContact CG2-CZ2 3.76Å; V34-V46 HydrophobicContact CG2-CG1 4.17Å; V34-I48 HydrophobicContact CB-CB 4.47Å; V34-I48 HydrophobicContact CB-CD1 4.14Å; V34-I48 HydrophobicContact CB-CG1 4Å; V34-I48 HydrophobicContact CG2-CB 4.22Å; V34-I48 HydrophobicContact CG2-CD1 4.38Å; V34-I48 HydrophobicContact CG2-CG1 4.26Å
35S91.6Very high94.1Very high54 Ų5465.5 Ų65.538%0.37834%0.338SS..  trans-67.6125.2166179.50000110.1S37 D40 W41S35-S37 VanDerWaalsContact C-N 3.26Å; S35-S37 WeakPolarHBondContact OG-CB 3.48Å; S35-S37 PolarHBondContact OG-N 2.77Å; S35-D40 WeakPolarHBondContact CB-OD2 3.25Å; S35-D40 PolarHBondContact OG-OD2 3.25Å; S35-W41 PolarHBondContact O-NE1 3.07Å
36E88.9Confident94.1Very high124 Ų12465.9 Ų65.958%0.57934%0.34SS*.  trans-87.95.5172.7-58.3-166.1-166.800112.5W18 V34 K38W18-E36 HydrophobicContact CH2-CG 3.72Å; W18-E36 HydrophobicContact CZ2-CB 4.2Å; W18-E36 HydrophobicContact CZ2-CG 3.73Å; V34-E36 PolarHBondContact O-N 2.84Å; E36-K38 PolarHBondContact O-N 3.26Å
37S91.8Very high94.1Very high52 Ų5262 Ų6236%0.36432%0.324SS..  trans-62.2128.1176177.80000110.6S35 D39 D40S35-S37 VanDerWaalsContact C-N 3.26Å; S35-S37 WeakPolarHBondContact OG-CB 3.48Å; S35-S37 PolarHBondContact OG-N 2.77Å; S37-D39 PolarHBondContact O-N 3.04Å; S37-D39 PolarHBondContact OG-N 3.42Å; S37-D40 PolarHBondContact O-N 3.2Å; S37-D40 VanDerWaalsContact O-N 3.13Å
38K88.8Confident94.1Very high142 Ų14260.5 Ų60.562%0.61732%0.317SS*.Hα-helixtrans-53.7-39.1177.1-174.6179.5178.4-177.60112E36 D40 W41 L42E36-K38 PolarHBondContact O-N 3.26Å; K38-D40 VanDerWaalsContact C-N 3.32Å; K38-D40 PolarHBondContact O-N 3.21Å; K38-W41 PolarHBondContact O-N 3.45Å; K38-L42 WeakPolarHBondContact O-CG 3.12Å; K38-L42 PolarHBondContact O-N 2.95Å
39D89.5Confident94.2Very high116 Ų11660.2 Ų60.262%0.6232%0.315SS*.Hα-helixtrans-66.5-34.1-176.4-67.2-31.4000112.4S37 W41 L42S37-D39 PolarHBondContact O-N 3.04Å; S37-D39 PolarHBondContact OG-N 3.42Å; D39-W41 VanDerWaalsContact C-N 3.34Å; D39-W41 PolarHBondContact O-N 3.18Å; D39-L42 WeakPolarHBondContact O-CB 3.37Å; D39-L42 PolarHBondContact O-N 3.22Å
40D91.7Very high94.3Very high56 Ų5651.7 Ų51.730%0.29928%0.276SS..Hα-helixtrans-66.8-37.5177.3-73.2-37.5000111.6S35 S37 K38 L42 R43S35-D40 WeakPolarHBondContact CB-OD2 3.25Å; S35-D40 PolarHBondContact OG-OD2 3.25Å; S37-D40 PolarHBondContact O-N 3.2Å; S37-D40 VanDerWaalsContact O-N 3.13Å; K38-D40 VanDerWaalsContact C-N 3.32Å; K38-D40 PolarHBondContact O-N 3.21Å; D40-L42 VanDerWaalsContact C-N 3.27Å; D40-L42 PolarHBondContact O-N 3.12Å; D40-R43 VanDerWaalsContact O-CB 3.26Å; D40-R43 WeakPolarHBondContact O-CB 3.43Å; D40-R43 WeakPolarHBondContact O-CG 3.48Å; D40-R43 PolarHBondContact O-N 3.37Å; D40-R43 VanDerWaalsContact O-N 3.16Å
41W93.4Very high94.3Very high6 Ų656.4 Ų56.42%0.02330%0.297CS..Hα-helixtrans-74.5-15177.9-72.689.6000113.9F8 R17 W18 F21 V34 S35 K38 D39 R43 V46F8-W41 HydrophobicContact CE2-CZ3 4.46Å; F8-W41 HydrophobicContact CZ-CE3 4.26Å; F8-W41 AromaticContact CZ-CZ3 3.9Å; F8-W41 HydrophobicContact CZ-CZ3 3.9Å; R17-W41 HydrophobicContact CB-CE3 3.83Å; R17-W41 HydrophobicContact CB-CZ3 4.46Å; R17-W41 WeakPolarHBondContact CD-O 3.46Å; R17-W41 PolarHBondContact NH1-O 2.87Å; W18-W41 HydrophobicContact CB-CB 4.26Å; W18-W41 HydrophobicContact CB-CD2 3.78Å; W18-W41 HydrophobicContact CB-CE3 4.19Å; W18-W41 HydrophobicContact CB-CG 3.77Å; W18-W41 HydrophobicContact CD2-CZ2 4.42Å; W18-W41 HydrophobicContact CE3-CD2 4.2Å; W18-W41 AromaticContact CE3-CE2 3.42Å; W18-W41 VanDerWaalsContact CE3-CE2 3.42Å; W18-W41 AromaticContact CE3-CH2 3.99Å; W18-W41 HydrophobicContact CE3-CH2 3.99Å; W18-W41 AromaticContact CE3-CZ2 3.32Å; W18-W41 HydrophobicContact CE3-CZ2 3.32Å; W18-W41 AromaticContact CE3-NE1 3.67Å; W18-W41 HydrophobicContact CZ3-CH2 4.48Å; W18-W41 AromaticContact CZ3-CZ2 3.71Å; W18-W41 HydrophobicContact CZ3-CZ2 3.71Å; F21-W41 HydrophobicContact CB-CH2 3.61Å; F21-W41 HydrophobicContact CB-CZ3 3.71Å; F21-W41 AromaticContact CD1-CH2 3.34Å; F21-W41 HydrophobicContact CD1-CH2 3.34Å; F21-W41 AromaticContact CD1-CZ2 3.83Å; F21-W41 HydrophobicContact CD1-CZ2 3.83Å; F21-W41 HydrophobicContact CD1-CZ3 4.31Å; F21-W41 HydrophobicContact CD2-CH2 4.39Å; F21-W41 HydrophobicContact CE1-CH2 4.2Å; F21-W41 HydrophobicContact CE1-CZ2 4.47Å; F21-W41 AromaticContact CG-CH2 3.47Å; F21-W41 HydrophobicContact CG-CH2 3.47Å; F21-W41 VanDerWaalsContact CG-CH2 3.47Å; F21-W41 HydrophobicContact CG-CZ2 4.4Å; F21-W41 HydrophobicContact CG-CZ3 4.08Å; V34-W41 HydrophobicContact CG1-CZ2 4.14Å; V34-W41 HydrophobicContact CG2-CZ2 3.76Å; S35-W41 PolarHBondContact O-NE1 3.07Å; K38-W41 PolarHBondContact O-N 3.45Å; D39-W41 VanDerWaalsContact C-N 3.34Å; D39-W41 PolarHBondContact O-N 3.18Å; W41-R43 VanDerWaalsContact C-N 3.26Å; W41-V46 HydrophobicContact CD2-CG1 4.38Å; W41-V46 HydrophobicContact CE3-CG1 4.45Å; W41-V46 HydrophobicContact CE3-CG2 4.28Å; W41-V46 HydrophobicContact CH2-CG1 4.27Å; W41-V46 HydrophobicContact CZ2-CG1 4.17Å; W41-V46 HydrophobicContact CZ3-CG1 4.43Å
42L91.1Very high94.3Very high68 Ų6854 Ų5436%0.35628%0.277SS..Hα-helixtrans-74-19.6170.3-64.1177.9000112.2V14 R17 K38 D39 D40V14-L42 HydrophobicContact CB-CD2 4.06Å; V14-L42 HydrophobicContact CG2-CD2 3.63Å; R17-L42 PolarHBondContact NH1-O 2.88Å; K38-L42 WeakPolarHBondContact O-CG 3.12Å; K38-L42 PolarHBondContact O-N 2.95Å; D39-L42 WeakPolarHBondContact O-CB 3.37Å; D39-L42 PolarHBondContact O-N 3.22Å; D40-L42 VanDerWaalsContact C-N 3.27Å; D40-L42 PolarHBondContact O-N 3.12Å
43R91.9Very high94.3Very high73 Ų7352.8 Ų52.828%0.27527%0.274SS..SBendtrans-68.6149.5179.7-58.8-178.671169.32.7112R17 D40 W41 F45 E152R17-R43 PolarHBondContact NH1-O 3.47Å; D40-R43 VanDerWaalsContact O-CB 3.26Å; D40-R43 WeakPolarHBondContact O-CB 3.43Å; D40-R43 WeakPolarHBondContact O-CG 3.48Å; D40-R43 PolarHBondContact O-N 3.37Å; D40-R43 VanDerWaalsContact O-N 3.16Å; W41-R43 VanDerWaalsContact C-N 3.26Å; R43-F45 PolarHBondContact O-N 2.94Å; R43-E152 IonicContact CZ-OE1 3.05Å; R43-E152 IonicContact CZ-OE2 3.54Å; R43-E152 IonicContact NE-OE1 2.72Å; R43-E152 PolarHBondContact NE-OE1 2.95Å; R43-E152 IonicContact NE-OE2 2.92Å; R43-E152 PolarHBondContact NE-OE2 2.93Å; R43-E152 VanDerWaalsContact NH2-CD 3.3Å; R43-E152 IonicContact NH2-OE1 2.62Å; R43-E152 PolarHBondContact NH2-OE1 2.89Å; R43-E152 IonicContact NH2-OE2 3.28Å; R43-E152 PolarHBondContact NH2-OE2 3.02Å
44P93.8Very high94.3Very high4 Ų455.4 Ų55.43%0.02628%0.283CS..SBendtrans-69.2-20.2177.529.9-37.4000113.1S7 F8 A111 E152S7-P44 WeakPolarHBondContact CA-O 3.45Å; F8-P44 PolarHBondContact N-O 3Å; P44-A111 HydrophobicContact CB-CB 3.63Å; P44-A111 HydrophobicContact CG-CB 3.47Å; P44-A111 VanDerWaalsContact CG-CB 3.47Å; P44-E152 HydrophobicContact CG-CG 3.85Å
45F95.6Very high94.4Very high7 Ų754.4 Ų54.43%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-129.9119.2179.3-52.1-61.4000109.5V5 F6 S7 R43 A111 L150 E152 L173V5-F45 HydrophobicContact CG1-CB 3.87Å; V5-F45 HydrophobicContact CG1-CD1 4.4Å; F6-F45 WeakPolarHBondContact O-CA 3.46Å; S7-F45 WeakPolarHBondContact OG-CE1 3.48Å; R43-F45 PolarHBondContact O-N 2.94Å; F45-A111 HydrophobicContact CE2-CB 3.75Å; F45-A111 HydrophobicContact CZ-CB 3.97Å; F45-L150 HydrophobicContact CD1-CB 4.32Å; F45-L150 HydrophobicContact CD1-CD1 3.88Å; F45-L150 HydrophobicContact CD2-CB 4.44Å; F45-L150 HydrophobicContact CE1-CB 3.93Å; F45-L150 HydrophobicContact CE1-CD1 3.97Å; F45-L150 HydrophobicContact CE1-CD2 4.11Å; F45-L150 HydrophobicContact CE1-CG 4.23Å; F45-L150 HydrophobicContact CE2-CB 4.06Å; F45-L150 HydrophobicContact CZ-CB 3.8Å; F45-L150 HydrophobicContact CZ-CD2 4.47Å; F45-E152 HydrophobicContact CD2-CB 3.97Å; F45-E152 HydrophobicContact CD2-CG 4.19Å; F45-E152 HydrophobicContact CE2-CB 4.13Å; F45-L173 HydrophobicContact CB-CD1 3.57Å; F45-L173 HydrophobicContact CD2-CD1 4.27Å; F45-L173 HydrophobicContact CG-CD1 4Å
46V96.4Very high94.7Very high8 Ų851.9 Ų51.95%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-113.2126.4178.6-179.60000108.3V5 F6 F8 V34 W41V5-V46 CarbonylContact C-O 3.59Å; V5-V46 WeakPolarHBondContact CA-O 3.25Å; F6-V46 PolarHBondContact N-O 3.04Å; F6-V46 PolarHBondContact O-N 3.05Å; F8-V46 HydrophobicContact CD2-CG2 4.15Å; F8-V46 HydrophobicContact CE2-CB 4Å; F8-V46 HydrophobicContact CE2-CG2 3.66Å; V34-V46 HydrophobicContact CG2-CG1 4.17Å; W41-V46 HydrophobicContact CD2-CG1 4.38Å; W41-V46 HydrophobicContact CE3-CG1 4.45Å; W41-V46 HydrophobicContact CE3-CG2 4.28Å; W41-V46 HydrophobicContact CH2-CG1 4.27Å; W41-V46 HydrophobicContact CZ2-CG1 4.17Å; W41-V46 HydrophobicContact CZ3-CG1 4.43Å
47V97.6Very high95.1Very high34 Ų3449.1 Ų49.121%0.20625%0.249CC..EExtended strand (participates in β ladder)trans-88.2134.8175.5178.10000109Y4 V5 L72 L173Y4-V47 CarbonylContact O-C 3.41Å; Y4-V47 VanDerWaalsContact O-CA 3.29Å; Y4-V47 WeakPolarHBondContact O-CA 3.49Å; V5-V47 HydrophobicContact CG2-CG2 4.25Å; V47-L72 HydrophobicContact CG1-CD2 3.74Å; V47-L72 HydrophobicContact CG2-CD2 3.91Å; V47-L173 HydrophobicContact CG2-CD2 4.22Å
48I97.6Very high95.3Very high2 Ų248 Ų481%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-138.7151.4180-175.5160.6000110.5K3 Y4 F6 F21 Y32 V34 M50K3-I48 CarbonylContact C-O 3.52Å; K3-I48 WeakPolarHBondContact CA-O 3.49Å; Y4-I48 PolarHBondContact N-O 3.31Å; Y4-I48 PolarHBondContact O-N 2.84Å; F6-I48 HydrophobicContact CD2-CG2 3.98Å; F6-I48 HydrophobicContact CE2-CB 4.45Å; F6-I48 HydrophobicContact CE2-CD1 3.96Å; F6-I48 HydrophobicContact CE2-CG2 3.67Å; F6-I48 HydrophobicContact CZ-CG2 4Å; F21-I48 HydrophobicContact CD1-CD1 4.47Å; F21-I48 HydrophobicContact CE1-CD1 3.53Å; F21-I48 HydrophobicContact CE2-CD1 3.6Å; F21-I48 HydrophobicContact CZ-CD1 3.03Å; Y32-I48 HydrophobicContact CD2-CD1 4.24Å; Y32-I48 HydrophobicContact CG-CD1 4.27Å; V34-I48 HydrophobicContact CB-CB 4.47Å; V34-I48 HydrophobicContact CB-CD1 4.14Å; V34-I48 HydrophobicContact CB-CG1 4Å; V34-I48 HydrophobicContact CG2-CB 4.22Å; V34-I48 HydrophobicContact CG2-CD1 4.38Å; V34-I48 HydrophobicContact CG2-CG1 4.26Å; I48-M50 HydrophobicContact CD1-CG 4.32Å; I48-M50 HydrophobicContact CD1-SD 4.42Å; I48-M50 HydrophobicContact CG1-CG 4.12Å
49E98.3Very high95.6Very high59 Ų5941.2 Ų41.228%0.27621%0.212SC..EExtended strand (participates in β ladder)trans-107.3129.8171.2-70.1179.5-163.900111.1M1 K2 K3 Y32 S33M1-E49 HydrophobicContact CB-CB 4.02Å; M1-E49 HydrophobicContact SD-CB 4.41Å; K2-E49 VanDerWaalsContact O-CA 3.25Å; K2-E49 WeakPolarHBondContact O-CA 3.49Å; K3-E49 WeakPolarHBondContact CE-OE1 3.26Å; K3-E49 HydrophobicContact CG-CG 3.7Å; Y32-E49 CarbonylContact C-O 3.54Å; Y32-E49 WeakPolarHBondContact CA-O 3.4Å; Y32-E49 WeakPolarHBondContact CB-O 3.43Å; S33-E49 PolarHBondContact N-O 3.26Å; S33-E49 PolarHBondContact O-N 3.27Å
50M98.1Very high95.9Very high0 Ų035.8 Ų35.80%018%0.183CC..EExtended strand (participates in β ladder)trans-139.6168.7177.7-61.3-171.378.200110.4M1 K2 Y4 F6 L30 I48 V56 I59M1-M50 CarbonylContact C-O 3.57Å; M1-M50 WeakPolarHBondContact CA-O 3.46Å; M1-M50 WeakPolarHBondContact CB-O 3.49Å; K2-M50 PolarHBondContact N-O 3Å; K2-M50 PolarHBondContact O-N 3.41Å; Y4-M50 HydrophobicContact CD2-CB 4.07Å; Y4-M50 HydrophobicContact CE2-CB 4Å; F6-M50 HydrophobicContact CZ-SD 4.31Å; L30-M50 HydrophobicContact CB-CE 4.03Å; L30-M50 HydrophobicContact CD1-CE 3.81Å; L30-M50 HydrophobicContact CG-CE 4.5Å; I48-M50 HydrophobicContact CD1-CG 4.32Å; I48-M50 HydrophobicContact CD1-SD 4.42Å; I48-M50 HydrophobicContact CG1-CG 4.12Å; M50-V56 HydrophobicContact CB-CG2 4.08Å; M50-V56 HydrophobicContact CG-CG2 4.27Å; M50-V56 HydrophobicContact SD-CG2 3.59Å; M50-V56 VanDerWaalsContact SD-CG2 3.59Å; M50-I59 HydrophobicContact CE-CG1 4.2Å
51E97.1Very high96Very high136 Ų13637.9 Ų37.964%0.63619%0.189SC*.SBendtrans-66.9-51.1-175-170.7-179.816900113.1
52N96.8Very high96Very high46 Ų4638.3 Ų38.325%0.24619%0.191CC..  trans-156.2174.2-170.555.849.3000111.9Y4 D54 S55 V56Y4-N52 WeakPolarHBondContact OH-CA 3.47Å; Y4-N52 PolarHBondContact OH-O 3.46Å; N52-D54 VanDerWaalsContact C-N 3.31Å; N52-D54 PolarHBondContact O-N 3.22Å; N52-D54 PolarHBondContact OD1-N 3.27Å; N52-S55 WeakPolarHBondContact O-CB 3.42Å; N52-S55 PolarHBondContact O-N 3.22Å; N52-S55 PolarHBondContact OD1-N 3.45Å; N52-S55 PolarHBondContact OD1-OG 3.13Å; N52-V56 PolarHBondContact O-N 3.43Å
53D97.6Very high96.2Very high35 Ų3535.1 Ų35.119%0.18717%0.174CC..Hα-helixtrans-66.6-33.1-176.3-650.1000112.1Y4 S55 V56 L57 R176 I178Y4-D53 WeakPolarHBondContact CE1-OD1 3.41Å; Y4-D53 PolarHBondContact OH-N 3.32Å; Y4-D53 PolarHBondContact OH-OD1 3.39Å; D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 PolarHBondContact O-N 3.18Å; D53-V56 WeakPolarHBondContact O-CB 3.37Å; D53-V56 PolarHBondContact O-N 2.67Å; D53-L57 WeakPolarHBondContact O-CB 3.26Å; D53-L57 WeakPolarHBondContact O-CG 3.4Å; D53-L57 PolarHBondContact O-N 2.87Å; D53-R176 IonicContact OD2-CZ 3.37Å; D53-R176 IonicContact OD2-NH2 3.48Å; D53-R176 PolarHBondContact OD2-NH2 3.02Å; D53-I178 HydrophobicContact CB-CD1 4.2Å; D53-I178 HydrophobicContact CB-CG2 4.49Å
54D97.6Very high96.3Very high113 Ų11331.8 Ų31.860%0.60416%0.162SC*.Hα-helixtrans-65.9-35.7179.6-64.7-35.8000112.2N52 V56 L57 S58N52-D54 VanDerWaalsContact C-N 3.31Å; N52-D54 PolarHBondContact O-N 3.22Å; N52-D54 PolarHBondContact OD1-N 3.27Å; D54-V56 VanDerWaalsContact C-N 3.34Å; D54-L57 PolarHBondContact O-N 3.28Å; D54-S58 WeakPolarHBondContact O-CB 3.36Å; D54-S58 PolarHBondContact O-N 3.46Å; D54-S58 PolarHBondContact O-OG 3.1Å
55S97.6Very high96.3Very high8 Ų831.8 Ų31.86%0.05616%0.162CC..Hα-helixtrans-61.5-45.3173.1-56.50000110.6L30 N52 D53 S58 I59L30-S55 VanDerWaalsContact CD1-O 3.28Å; L30-S55 WeakPolarHBondContact CD1-O 3.48Å; N52-S55 WeakPolarHBondContact O-CB 3.42Å; N52-S55 PolarHBondContact O-N 3.22Å; N52-S55 PolarHBondContact OD1-N 3.45Å; N52-S55 PolarHBondContact OD1-OG 3.13Å; D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 PolarHBondContact O-N 3.18Å; S55-S58 PolarHBondContact O-N 3.41Å; S55-I59 PolarHBondContact O-N 3.24Å
56V97.9Very high96.3Very high0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-66.9-43.7179171.30000111.2Y4 F6 M50 N52 D53 D54 S58 I59 I60 A69 I178Y4-V56 HydrophobicContact CD1-CB 4.45Å; Y4-V56 HydrophobicContact CD1-CG1 4.27Å; Y4-V56 HydrophobicContact CD1-CG2 3.74Å; Y4-V56 HydrophobicContact CD2-CG2 3.59Å; Y4-V56 HydrophobicContact CE1-CB 4.48Å; Y4-V56 HydrophobicContact CE1-CG2 3.84Å; Y4-V56 HydrophobicContact CE2-CG2 3.67Å; Y4-V56 HydrophobicContact CG-CG2 3.63Å; F6-V56 HydrophobicContact CE1-CG1 4.11Å; M50-V56 HydrophobicContact CB-CG2 4.08Å; M50-V56 HydrophobicContact CG-CG2 4.27Å; M50-V56 HydrophobicContact SD-CG2 3.59Å; M50-V56 VanDerWaalsContact SD-CG2 3.59Å; N52-V56 PolarHBondContact O-N 3.43Å; D53-V56 WeakPolarHBondContact O-CB 3.37Å; D53-V56 PolarHBondContact O-N 2.67Å; D54-V56 VanDerWaalsContact C-N 3.34Å; V56-S58 VanDerWaalsContact C-N 3.28Å; V56-S58 PolarHBondContact O-N 3.41Å; V56-I59 PolarHBondContact O-N 2.8Å; V56-I60 HydrophobicContact CG1-CD1 3.53Å; V56-I60 WeakPolarHBondContact O-CD1 3.33Å; V56-I60 VanDerWaalsContact O-CG1 3.3Å; V56-I60 WeakPolarHBondContact O-CG1 3.48Å; V56-I60 PolarHBondContact O-N 2.99Å; V56-I60 VanDerWaalsContact O-N 3.1Å; V56-A69 HydrophobicContact CG1-CB 3.72Å; V56-I178 HydrophobicContact CB-CG2 4.35Å; V56-I178 HydrophobicContact CG1-CB 4.31Å; V56-I178 HydrophobicContact CG1-CG1 4.49Å; V56-I178 HydrophobicContact CG1-CG2 3.86Å
57L97Very high96.2Very high67 Ų6735.2 Ų35.235%0.35118%0.176SC..Hα-helixtrans-60.4-37.9174.9-75.9169.7000112D53 D54 I59 I60 K61 I178D53-L57 WeakPolarHBondContact O-CB 3.26Å; D53-L57 WeakPolarHBondContact O-CG 3.4Å; D53-L57 PolarHBondContact O-N 2.87Å; D54-L57 PolarHBondContact O-N 3.28Å; L57-I59 VanDerWaalsContact C-N 3.26Å; L57-I59 PolarHBondContact O-N 2.98Å; L57-I60 PolarHBondContact O-N 3.12Å; L57-K61 WeakPolarHBondContact O-CB 3.26Å; L57-K61 PolarHBondContact O-N 2.93Å; L57-I178 HydrophobicContact CD1-CG2 4.41Å; L57-I178 HydrophobicContact CD2-CG2 3.73Å; L57-I178 HydrophobicContact CG-CG2 3.65Å
58S95.8Very high96.1Very high28 Ų2834.2 Ų34.220%0.19617%0.17CC..Hα-helixtrans-65.1-27.9178.3-67.90000113.7D54 S55 V56 K61D54-S58 WeakPolarHBondContact O-CB 3.36Å; D54-S58 PolarHBondContact O-N 3.46Å; D54-S58 PolarHBondContact O-OG 3.1Å; S55-S58 PolarHBondContact O-N 3.41Å; V56-S58 VanDerWaalsContact C-N 3.28Å; V56-S58 PolarHBondContact O-N 3.41Å; S58-K61 WeakPolarHBondContact O-CE 3.46Å; S58-K61 WeakPolarHBondContact O-CG 3.41Å; S58-K61 PolarHBondContact OG-NZ 3.25Å
59I96.6Very high96.1Very high0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-76.6-48.6170.3-61-63000111.1F6 F21 L24 A25 L30 M50 S55 V56 L57 K61 R62 S63 I66F6-I59 HydrophobicContact CZ-CG2 4.27Å; F21-I59 HydrophobicContact CD2-CG2 4.01Å; F21-I59 HydrophobicContact CE2-CD1 4.43Å; F21-I59 HydrophobicContact CE2-CG1 4.31Å; F21-I59 HydrophobicContact CE2-CG2 4.29Å; L24-I59 VanDerWaalsContact C-CD1 3.43Å; L24-I59 HydrophobicContact CB-CD1 3.63Å; L24-I59 HydrophobicContact CB-CG2 4.29Å; L24-I59 HydrophobicContact CD1-CG2 4.05Å; A25-I59 HydrophobicContact CB-CD1 4.13Å; L30-I59 HydrophobicContact CD1-CD1 3.92Å; L30-I59 HydrophobicContact CD1-CG1 3.98Å; M50-I59 HydrophobicContact CE-CG1 4.2Å; S55-I59 PolarHBondContact O-N 3.24Å; V56-I59 PolarHBondContact O-N 2.8Å; L57-I59 VanDerWaalsContact C-N 3.26Å; L57-I59 PolarHBondContact O-N 2.98Å; I59-K61 PolarHBondContact O-N 3.11Å; I59-R62 PolarHBondContact O-N 2.77Å; I59-S63 PolarHBondContact O-N 2.8Å; I59-I66 HydrophobicContact CG2-CD1 3.79Å
60I94.9Very high96.1Very high2 Ų231.6 Ų31.61%0.0116%0.158CC..Hα-helixtrans-70.4-32.7-170.7-65.2159.5000112.6F6 V56 L57 R62 I66 A69 G180 S181F6-I60 HydrophobicContact CE1-CD1 4.38Å; F6-I60 HydrophobicContact CE1-CG1 4.26Å; V56-I60 HydrophobicContact CG1-CD1 3.53Å; V56-I60 WeakPolarHBondContact O-CD1 3.33Å; V56-I60 VanDerWaalsContact O-CG1 3.3Å; V56-I60 WeakPolarHBondContact O-CG1 3.48Å; V56-I60 PolarHBondContact O-N 2.99Å; V56-I60 VanDerWaalsContact O-N 3.1Å; L57-I60 PolarHBondContact O-N 3.12Å; I60-R62 PolarHBondContact O-N 3.44Å; I60-I66 HydrophobicContact CG1-CG2 4.28Å; I60-A69 HydrophobicContact CD1-CB 3.12Å; I60-A69 HydrophobicContact CG1-CB 4.08Å; I60-G180 WeakPolarHBondContact CG2-O 3.36Å; I60-S181 VanDerWaalsContact O-CA 3.29Å; I60-S181 WeakPolarHBondContact O-CA 3.49Å; I60-S181 WeakPolarHBondContact O-CB 3.16Å
61K93Very high96.2Very high99 Ų9932.4 Ų32.443%0.4316%0.162SC..THydrogen-bonded Turntrans-55.5-21.317673.9-171.5178.9-1550112.2E28 L57 S58 I59 I182E28-K61 IonicContact OE1-NZ 2.87Å; E28-K61 IonicContact OE2-NZ 2.77Å; E28-K61 PolarHBondContact OE2-NZ 3.37Å; L57-K61 WeakPolarHBondContact O-CB 3.26Å; L57-K61 PolarHBondContact O-N 2.93Å; S58-K61 WeakPolarHBondContact O-CE 3.46Å; S58-K61 WeakPolarHBondContact O-CG 3.41Å; S58-K61 PolarHBondContact OG-NZ 3.25Å; I59-K61 PolarHBondContact O-N 3.11Å; K61-I182 WeakPolarHBondContact O-CG1 3.12Å; K61-I182 VanDerWaalsContact O-CG2 3.31Å; K61-I182 WeakPolarHBondContact O-CG2 3.49Å
62R93.4Very high96.2Very high16 Ų1626.7 Ų26.76%0.0614%0.135CC..THydrogen-bonded Turntrans-119.2-29.5-173.3-173.4168.7173.1143.87.6115L24 M27 I59 I60 N213 C217 W240L24-R62 HydrophobicContact CD2-CB 3.98Å; L24-R62 HydrophobicContact CD2-CG 3.58Å; M27-R62 PolarHBondContact SD-NH1 2.99Å; I59-R62 PolarHBondContact O-N 2.77Å; I60-R62 PolarHBondContact O-N 3.44Å; R62-N213 PolarHBondContact NE-OD1 3.05Å; R62-N213 PolarHBondContact NH2-OD1 2.89Å; R62-N213 PolarHBondContact O-ND2 2.88Å; R62-C217 PolarHBondContact NH1-O 3.28Å; R62-C217 PolarHBondContact NH2-O 2.92Å; R62-W240 HydrophobicContact CB-CH2 4.15Å; R62-W240 HydrophobicContact CB-CZ3 4.26Å; R62-W240 HydrophobicContact CG-CD2 4.22Å; R62-W240 HydrophobicContact CG-CE3 4.04Å; R62-W240 HydrophobicContact CG-CH2 3.6Å; R62-W240 HydrophobicContact CG-CZ2 3.81Å; R62-W240 HydrophobicContact CG-CZ3 3.75Å; R62-W240 WeakPolarHBondContact O-CH2 3.4Å; R62-W240 VanDerWaalsContact O-CZ2 3.24Å; R62-W240 WeakPolarHBondContact O-CZ2 3.37Å
63S95.3Very high96.3Very high0 Ų025.6 Ų25.60%013%0.128CC..  trans-60.5139.7-178.5177.80000112.7E20 I59 L65 I66 S181E20-S63 PolarHBondContact OE2-OG 2.98Å; I59-S63 PolarHBondContact O-N 2.8Å; S63-L65 PolarHBondContact OG-N 2.9Å; S63-I66 WeakPolarHBondContact OG-CB 3.19Å; S63-I66 WeakPolarHBondContact OG-CG1 3.45Å; S63-I66 PolarHBondContact OG-N 2.85Å; S63-S181 WeakPolarHBondContact O-CB 3.39Å
64V94Very high96.3Very high3 Ų324 Ų242%0.01812%0.12CC..SBendtrans-105.5-3.4172.4-63.10000113.3E20 R183 M186 T206 A209 I210 W240E20-V64 WeakPolarHBondContact OE1-CG2 3.46Å; E20-V64 PolarHBondContact OE1-N 3.28Å; V64-R183 WeakPolarHBondContact O-CD 3.37Å; V64-R183 VanDerWaalsContact O-CG 3.23Å; V64-R183 WeakPolarHBondContact O-CG 3.46Å; V64-R183 PolarHBondContact O-NE 2.87Å; V64-M186 HydrophobicContact CG1-CG 4.36Å; V64-T206 HydrophobicContact CB-CG2 4.3Å; V64-T206 HydrophobicContact CG2-CG2 4.07Å; V64-A209 HydrophobicContact CB-CB 4.3Å; V64-A209 HydrophobicContact CG1-CB 3.73Å; V64-A209 HydrophobicContact CG2-CB 3.85Å; V64-I210 HydrophobicContact CG2-CG1 3.69Å; V64-W240 HydrophobicContact CG1-CZ2 4.44Å
65L94.9Very high96.4Very high5 Ų521.4 Ų21.43%0.02611%0.105CC..SBendtrans-104.9-40.8174.1-61.3176000113.3F8 F13 F16 R17 E20 S63 K67 T206 I210F8-L65 HydrophobicContact CD1-CB 4.01Å; F8-L65 WeakPolarHBondContact CD1-O 3.28Å; F8-L65 HydrophobicContact CE1-CB 4.11Å; F13-L65 HydrophobicContact CB-CD2 3.74Å; F16-L65 HydrophobicContact CB-CD1 3.98Å; R17-L65 HydrophobicContact CB-CD1 4.43Å; R17-L65 HydrophobicContact CG-CB 4.4Å; R17-L65 HydrophobicContact CG-CD1 4.02Å; E20-L65 HydrophobicContact CB-CD1 4.11Å; E20-L65 WeakPolarHBondContact OE2-CB 3.46Å; E20-L65 VanDerWaalsContact OE2-CG 3.31Å; E20-L65 WeakPolarHBondContact OE2-CG 3.42Å; E20-L65 PolarHBondContact OE2-N 3.42Å; S63-L65 PolarHBondContact OG-N 2.9Å; L65-K67 PolarHBondContact O-N 2.89Å; L65-T206 HydrophobicContact CD2-CG2 4.2Å; L65-I210 HydrophobicContact CD1-CD1 3.95Å; L65-I210 HydrophobicContact CD1-CG1 4.11Å; L65-I210 HydrophobicContact CD2-CD1 3.73Å; L65-I210 HydrophobicContact CD2-CG1 4.27Å; L65-I210 HydrophobicContact CG-CD1 4Å; L65-I210 HydrophobicContact CG-CG1 4.06Å
66I95.3Very high96.4Very high0 Ų021.2 Ų21.20%011%0.105CC..EExtended strand (participates in β ladder)trans-66.7126.2174.3-59.3167.3000106.8F6 F8 I59 I60 S63 S181F6-I66 HydrophobicContact CB-CD1 4.46Å; F6-I66 HydrophobicContact CB-CG1 4.3Å; F6-I66 HydrophobicContact CB-CG2 4.15Å; F6-I66 HydrophobicContact CD1-CD1 3.97Å; F6-I66 HydrophobicContact CD1-CG2 3.9Å; F6-I66 HydrophobicContact CD2-CD1 3.9Å; F6-I66 HydrophobicContact CE1-CD1 4.14Å; F6-I66 HydrophobicContact CE2-CD1 4.08Å; F6-I66 HydrophobicContact CG-CD1 3.86Å; F6-I66 HydrophobicContact CG-CG1 4.23Å; F6-I66 HydrophobicContact CG-CG2 4.23Å; F6-I66 HydrophobicContact CZ-CD1 4.21Å; F8-I66 HydrophobicContact CD1-CG1 4.24Å; F8-I66 HydrophobicContact CE1-CB 4.33Å; F8-I66 HydrophobicContact CE1-CG1 3.43Å; F8-I66 VanDerWaalsContact CE1-CG1 3.43Å; F8-I66 HydrophobicContact CZ-CD1 4.48Å; F8-I66 HydrophobicContact CZ-CG1 3.65Å; I59-I66 HydrophobicContact CG2-CD1 3.79Å; I60-I66 HydrophobicContact CG1-CG2 4.28Å; S63-I66 WeakPolarHBondContact OG-CB 3.19Å; S63-I66 WeakPolarHBondContact OG-CG1 3.45Å; S63-I66 PolarHBondContact OG-N 2.85Å; I66-S181 WeakPolarHBondContact O-CB 3.35Å; I66-S181 PolarHBondContact O-OG 2.98Å
67K94.2Very high96.3Very high87 Ų8723.5 Ų23.538%0.37812%0.123SC..EExtended strand (participates in β ladder)trans-84-44.5176.6177.2-171.2169.1-165.60110.8S7 L65 G180 S181S7-K67 WeakPolarHBondContact O-CB 3.29Å; S7-K67 PolarHBondContact O-N 2.91Å; L65-K67 PolarHBondContact O-N 2.89Å; K67-G180 WeakPolarHBondContact O-CA 3.39Å; K67-S181 PolarHBondContact O-N 3.14Å
68S95.9Very high96.3Very high13 Ų1323.1 Ų23.19%0.09112%0.124CC..EExtended strand (participates in β ladder)trans-162.3157.1-176.351.40000109.8S7 F70 G179S7-S68 PolarHBondContact N-O 3Å; S68-F70 WeakPolarHBondContact OG-CE2 3.18Å; S68-F70 WeakPolarHBondContact OG-CZ 3.35Å; S68-G179 CarbonylContact C-O 3.44Å; S68-G179 WeakPolarHBondContact CA-O 3.3Å; S68-G179 WeakPolarHBondContact CB-O 3.31Å
69A97.9Very high96.4Very high0 Ų024.3 Ų24.30%013%0.128CC..EExtended strand (participates in β ladder)trans-125158169.200000113.3V5 F6 V56 I60 I178 G179V5-A69 CarbonylContact O-C 3.47Å; V5-A69 WeakPolarHBondContact O-CA 3.07Å; F6-A69 HydrophobicContact CD1-CB 3.53Å; F6-A69 HydrophobicContact CE1-CB 3.75Å; V56-A69 HydrophobicContact CG1-CB 3.72Å; I60-A69 HydrophobicContact CD1-CB 3.12Å; I60-A69 HydrophobicContact CG1-CB 4.08Å; A69-I178 PolarHBondContact O-N 2.84Å; A69-G179 PolarHBondContact N-O 2.6Å
70F98.5Very high96.5Very high6 Ų628.1 Ų28.13%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-134.5140.2-175.5-48.4-85.8000109.9Y4 V5 S68 L72 N148 L150 R176 L177Y4-F70 CarbonylContact C-O 3.48Å; Y4-F70 WeakPolarHBondContact CA-O 3.09Å; Y4-F70 WeakPolarHBondContact CB-O 3.49Å; V5-F70 HydrophobicContact CB-CB 4.46Å; V5-F70 HydrophobicContact CB-CD2 4.29Å; V5-F70 PolarHBondContact N-O 2.89Å; V5-F70 PolarHBondContact O-N 2.79Å; S68-F70 WeakPolarHBondContact OG-CE2 3.18Å; S68-F70 WeakPolarHBondContact OG-CZ 3.35Å; F70-L72 PolarHBondContact O-N 3.35Å; F70-N148 HydrophobicContact CD1-CB 3.61Å; F70-N148 HydrophobicContact CE1-CB 3.51Å; F70-N148 WeakPolarHBondContact CE1-OD1 3.48Å; F70-N148 HydrophobicContact CG-CB 4.5Å; F70-N148 HydrophobicContact CZ-CB 4.3Å; F70-L150 HydrophobicContact CD2-CD1 3.64Å; F70-L150 HydrophobicContact CE2-CD1 3.72Å; F70-L150 HydrophobicContact CE2-CD2 4.04Å; F70-L150 HydrophobicContact CE2-CG 4.47Å; F70-L150 HydrophobicContact CG-CD1 4.35Å; F70-L150 HydrophobicContact CZ-CD2 4.08Å; F70-R176 CarbonylContact C-O 3.01Å; F70-R176 WeakPolarHBondContact CA-O 3.07Å; F70-R176 WeakPolarHBondContact CB-O 3.44Å; F70-L177 HydrophobicContact CD1-CB 4.2Å; F70-L177 HydrophobicContact CD1-CD1 4Å; F70-L177 HydrophobicContact CE1-CB 4.26Å; F70-L177 HydrophobicContact CE1-CD1 3.5Å; F70-L177 HydrophobicContact CZ-CD1 4.2Å
71H98.5Very high96.6Very high17 Ų1731.8 Ų31.88%0.07917%0.171CC..EExtended strand (participates in β ladder)trans-72.8116.7163.6-178.5-151.5000107.7K3 Y4 W73 L93 G175 R176 I178K3-H71 PolarHBondContact O-CD2 2.73Å; Y4-H71 HydrophobicContact CD1-CB 4.17Å; Y4-H71 HydrophobicContact CE1-CB 4Å; Y4-H71 AromaticContact CE1-CD2 3.98Å; H71-W73 AromaticContact ND1-NE1 3.61Å; H71-L93 WeakPolarHBondContact CE1-CD1 3.45Å; H71-G175 CarbonylContact O-C 3.54Å; H71-G175 WeakPolarHBondContact O-CA 3.28Å; H71-R176 PolarHBondContact N-O 3.29Å; H71-R176 PolarHBondContact O-N 3.39Å; H71-I178 HydrophobicContact CB-CD1 3.87Å; H71-I178 HydrophobicContact CB-CG1 4.24Å
72L98.6Very high96.9Very high16 Ų1627 Ų278%0.08415%0.151CC..EExtended strand (participates in β ladder)trans-79.7124.8-172.3-176.756.7000110.3K3 V5 V47 F70 C74 D75 L173K3-L72 HydrophobicContact CB-CB 3.96Å; K3-L72 HydrophobicContact CB-CD2 4.12Å; K3-L72 HydrophobicContact CB-CG 4.47Å; K3-L72 WeakPolarHBondContact O-CB 3.42Å; K3-L72 PolarHBondContact O-N 2.74Å; V5-L72 HydrophobicContact CG2-CB 4.01Å; V5-L72 HydrophobicContact CG2-CD1 3.63Å; V5-L72 HydrophobicContact CG2-CD2 4.02Å; V5-L72 HydrophobicContact CG2-CG 4.1Å; V47-L72 HydrophobicContact CG1-CD2 3.74Å; V47-L72 HydrophobicContact CG2-CD2 3.91Å; F70-L72 PolarHBondContact O-N 3.35Å; L72-C74 WeakPolarHBondContact CD1-O 3.41Å; L72-D75 HydrophobicContact CD2-CB 4.3Å; L72-L173 HydrophobicContact CD1-CB 4.12Å; L72-L173 HydrophobicContact CD1-CD2 3.76Å; L72-L173 HydrophobicContact CD2-CD2 4.36Å
73W98.3Very high97.1Very high23 Ų2328.6 Ų28.69%0.08716%0.16CC..EExtended strand (participates in β ladder)trans-102.1-45.6174.3-60.1-20.4000111.6H71 L89 L93 V94 Y97 L98 I147 Y174 R176H71-W73 AromaticContact ND1-NE1 3.61Å; W73-L89 HydrophobicContact CB-CD1 4.33Å; W73-L89 HydrophobicContact CB-CD2 4Å; W73-L93 HydrophobicContact CG-CD2 4.22Å; W73-L93 HydrophobicContact CG-CG 4.49Å; W73-V94 HydrophobicContact CE3-CG1 4.31Å; W73-V94 HydrophobicContact CH2-CG1 4.32Å; W73-V94 HydrophobicContact CZ3-CG1 4.21Å; W73-Y97 HydrophobicContact CH2-CD2 4.23Å; W73-Y97 AromaticContact CZ2-CD2 3.72Å; W73-Y97 HydrophobicContact CZ2-CD2 3.72Å; W73-Y97 HydrophobicContact CZ2-CE2 4.22Å; W73-L98 HydrophobicContact CH2-CD1 4.48Å; W73-L98 HydrophobicContact CZ3-CD1 4.24Å; W73-I147 HydrophobicContact CE3-CG2 4.23Å; W73-I147 HydrophobicContact CH2-CD1 3.37Å; W73-I147 HydrophobicContact CH2-CG1 4.06Å; W73-I147 HydrophobicContact CH2-CG2 4.13Å; W73-I147 HydrophobicContact CZ2-CD1 4.12Å; W73-I147 HydrophobicContact CZ3-CD1 3.99Å; W73-I147 HydrophobicContact CZ3-CG1 4.24Å; W73-I147 HydrophobicContact CZ3-CG2 3.57Å; W73-Y174 HydrophobicContact CB-CD1 4.44Å; W73-Y174 WeakPolarHBondContact CB-O 3.44Å; W73-Y174 AromaticContact CE3-CD1 3.79Å; W73-Y174 HydrophobicContact CE3-CD1 3.79Å; W73-Y174 AromaticContact CE3-CE1 3.44Å; W73-Y174 HydrophobicContact CE3-CE1 3.44Å; W73-Y174 VanDerWaalsContact CE3-CE1 3.44Å; W73-Y174 AromaticContact CE3-CZ 3.97Å; W73-Y174 AromaticContact CZ3-CE1 3.82Å; W73-Y174 HydrophobicContact CZ3-CE1 3.82Å; W73-Y174 AromaticContact CZ3-CZ 3.91Å; W73-Y174 PolarHBondContact N-O 2.95Å; W73-R176 HydrophobicContact CH2-CB 4.29Å; W73-R176 HydrophobicContact CZ2-CB 3.69Å
74C98.5Very high97.3Very high2 Ų234.7 Ų34.71%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-137.2144.6-177-51.80000111.4L72 L82 Q85 L173 Y174L72-C74 WeakPolarHBondContact CD1-O 3.41Å; C74-L82 HydrophobicContact CB-CD1 3.48Å; C74-L82 VanDerWaalsContact CB-CD1 3.48Å; C74-Q85 HydrophobicContact CB-CB 4.02Å; C74-Q85 VanDerWaalsContact CB-OE1 3.26Å; C74-L173 WeakPolarHBondContact O-CA 3.32Å; C74-Y174 PolarHBondContact N-O 3.25Å; C74-Y174 VanDerWaalsContact N-O 3.12Å; C74-Y174 PolarHBondContact O-N 3.34Å
75D98.1Very high97.5Very high57 Ų5737.9 Ų37.931%0.30520%0.203SC..EExtended strand (participates in β ladder)trans-139.9112.9178.1-175.62.8000108.8L72 Q85 R171 L173L72-D75 HydrophobicContact CD2-CB 4.3Å; D75-Q85 PolarHBondContact O-NE2 2.72Å; D75-Q85 PolarHBondContact O-OE1 2.9Å; D75-R171 WeakPolarHBondContact OD1-CG 3.21Å; D75-R171 IonicContact OD1-CZ 3.64Å; D75-R171 IonicContact OD1-NE 2.8Å; D75-R171 PolarHBondContact OD1-NE 2.85Å; D75-R171 IonicContact OD1-NH2 3.63Å; D75-R171 IonicContact OD2-CZ 3.44Å; D75-R171 IonicContact OD2-NE 3.41Å; D75-R171 PolarHBondContact OD2-NE 2.62Å; D75-R171 IonicContact OD2-NH2 2.67Å; D75-R171 PolarHBondContact OD2-NH2 2.8Å; D75-L173 HydrophobicContact CB-CD2 3.79Å; D75-L173 VanDerWaalsContact CG-CD2 3.44Å; D75-L173 WeakPolarHBondContact OD1-CD2 3.38Å
76A98.3Very high97.6Very high5 Ų537.8 Ų37.84%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-139.9154.3-170.400000111.5E81 L82 R171 L172A76-E81 HydrophobicContact CB-CB 3.8Å; A76-L82 HydrophobicContact CB-CB 3.83Å; A76-L82 HydrophobicContact CB-CD1 3.98Å; A76-R171 CarbonylContact O-C 3.58Å; A76-R171 WeakPolarHBondContact O-CA 3.38Å; A76-L172 PolarHBondContact N-O 3.4Å; A76-L172 PolarHBondContact O-N 3.21Å
77A96.6Very high97.7Very high48 Ų4839.6 Ų39.640%0.39722%0.218SC..SBendtrans-85.4-28.8174.100000111.8E81 L172A77-E81 WeakPolarHBondContact CB-OE2 3.34Å; A77-E81 PolarHBondContact N-OE2 2.78Å; A77-L172 WeakPolarHBondContact O-CD1 3.15Å
78T97.1Very high97.9Very high59 Ų5941.5 Ų41.536%0.36223%0.232SC..SBendtrans-127.6160.5-177680000112.5S80 E81 L82 L172T78-S80 VanDerWaalsContact C-N 3.31Å; T78-S80 PolarHBondContact O-N 2.53Å; T78-E81 PolarHBondContact N-OE2 2.85Å; T78-E81 PolarHBondContact O-N 3.15Å; T78-E81 VanDerWaalsContact OG1-CD 3.25Å; T78-E81 VanDerWaalsContact OG1-CG 3.3Å; T78-E81 WeakPolarHBondContact OG1-CG 3.34Å; T78-E81 PolarHBondContact OG1-N 3.09Å; T78-E81 PolarHBondContact OG1-OE1 3.05Å; T78-E81 VanDerWaalsContact OG1-OE1 3.11Å; T78-L82 PolarHBondContact O-N 3.47Å; T78-L82 VanDerWaalsContact O-N 3.11Å; T78-L172 VanDerWaalsContact C-CD1 3.49Å
79L97Very high97.9Very high53 Ų5341.6 Ų41.628%0.27723%0.231SC..Hα-helixtrans-64.6-37.3176.7-178.659.6000111.6L82 I83 I123 I127 L172L79-L82 HydrophobicContact CD1-CD2 4.44Å; L79-L82 WeakPolarHBondContact O-CB 3.39Å; L79-L82 PolarHBondContact O-N 3.28Å; L79-I83 HydrophobicContact CD1-CD1 4.42Å; L79-I83 HydrophobicContact CD1-CG1 4.48Å; L79-I83 HydrophobicContact CG-CD1 4.01Å; L79-I83 WeakPolarHBondContact O-CD1 3.33Å; L79-I83 VanDerWaalsContact O-CG1 3.25Å; L79-I83 WeakPolarHBondContact O-CG1 3.39Å; L79-I83 PolarHBondContact O-N 3.41Å; L79-I123 HydrophobicContact CD1-CG2 4.3Å; L79-I127 HydrophobicContact CD1-CD1 4Å; L79-I127 HydrophobicContact CD1-CG1 3.87Å; L79-L172 HydrophobicContact CB-CD2 4.24Å; L79-L172 HydrophobicContact CD1-CD2 4.07Å
80S97.7Very high97.8Very high80 Ų8044.4 Ų44.456%0.55925%0.249SC*.Hα-helixtrans-61.7-48176.8-57.80000112.1T78 L82 I83 E84T78-S80 VanDerWaalsContact C-N 3.31Å; T78-S80 PolarHBondContact O-N 2.53Å; S80-L82 VanDerWaalsContact C-N 3.29Å; S80-L82 PolarHBondContact O-N 2.89Å; S80-I83 WeakPolarHBondContact O-CB 3.35Å; S80-I83 PolarHBondContact O-N 2.84Å; S80-E84 PolarHBondContact O-N 3.04Å; S80-E84 VanDerWaalsContact O-N 3.09Å
81E98.2Very high97.6Very high78 Ų7846.6 Ų46.636%0.36427%0.266SS..Hα-helixtrans-59.8-39.5174.2-75.6161.4-14200112.1A76 A77 T78 E84 Q85A76-E81 HydrophobicContact CB-CB 3.8Å; A77-E81 WeakPolarHBondContact CB-OE2 3.34Å; A77-E81 PolarHBondContact N-OE2 2.78Å; T78-E81 PolarHBondContact N-OE2 2.85Å; T78-E81 PolarHBondContact O-N 3.15Å; T78-E81 VanDerWaalsContact OG1-CD 3.25Å; T78-E81 VanDerWaalsContact OG1-CG 3.3Å; T78-E81 WeakPolarHBondContact OG1-CG 3.34Å; T78-E81 PolarHBondContact OG1-N 3.09Å; T78-E81 PolarHBondContact OG1-OE1 3.05Å; T78-E81 VanDerWaalsContact OG1-OE1 3.11Å; E81-E84 PolarHBondContact O-N 2.86Å; E81-Q85 WeakPolarHBondContact O-CG 3.27Å; E81-Q85 PolarHBondContact O-N 2.96Å
82L98.3Very high97.5Very high0 Ų053.2 Ų53.20%030%0.297CS..Hα-helixtrans-63.4-43.9178-168.976.9000111.3C74 A76 T78 L79 S80 E84 Q85 V86 I127 L172C74-L82 HydrophobicContact CB-CD1 3.48Å; C74-L82 VanDerWaalsContact CB-CD1 3.48Å; A76-L82 HydrophobicContact CB-CB 3.83Å; A76-L82 HydrophobicContact CB-CD1 3.98Å; T78-L82 PolarHBondContact O-N 3.47Å; T78-L82 VanDerWaalsContact O-N 3.11Å; L79-L82 HydrophobicContact CD1-CD2 4.44Å; L79-L82 WeakPolarHBondContact O-CB 3.39Å; L79-L82 PolarHBondContact O-N 3.28Å; S80-L82 VanDerWaalsContact C-N 3.29Å; S80-L82 PolarHBondContact O-N 2.89Å; L82-E84 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 2.91Å; L82-Q85 PolarHBondContact O-N 3.03Å; L82-V86 HydrophobicContact CG-CG2 4.46Å; L82-V86 VanDerWaalsContact O-CG2 3.26Å; L82-V86 WeakPolarHBondContact O-CG2 3.31Å; L82-V86 PolarHBondContact O-N 2.84Å; L82-I127 HydrophobicContact CD2-CD1 3.47Å; L82-I127 VanDerWaalsContact CD2-CD1 3.47Å; L82-I127 HydrophobicContact CD2-CG1 3.91Å; L82-L172 HydrophobicContact CD1-CB 4.3Å; L82-L172 HydrophobicContact CD2-CB 4.04Å; L82-L172 HydrophobicContact CD2-CD2 3.96Å
83I98.3Very high97.3Very high48 Ų4854.5 Ų54.525%0.24630%0.304CS..Hα-helixtrans-59.2-45.4177.3-70.9159.9000110.5L79 S80 Q85 V86 A87 T126 A130L79-I83 HydrophobicContact CD1-CD1 4.42Å; L79-I83 HydrophobicContact CD1-CG1 4.48Å; L79-I83 HydrophobicContact CG-CD1 4.01Å; L79-I83 WeakPolarHBondContact O-CD1 3.33Å; L79-I83 VanDerWaalsContact O-CG1 3.25Å; L79-I83 WeakPolarHBondContact O-CG1 3.39Å; L79-I83 PolarHBondContact O-N 3.41Å; S80-I83 WeakPolarHBondContact O-CB 3.35Å; S80-I83 PolarHBondContact O-N 2.84Å; I83-Q85 VanDerWaalsContact C-N 3.33Å; I83-Q85 PolarHBondContact O-N 2.99Å; I83-V86 PolarHBondContact O-N 3.32Å; I83-A87 WeakPolarHBondContact O-CB 3.47Å; I83-A87 PolarHBondContact O-N 3.16Å; I83-T126 HydrophobicContact CD1-CG2 3.42Å; I83-T126 VanDerWaalsContact CD1-CG2 3.42Å; I83-T126 HydrophobicContact CG1-CG2 4.13Å; I83-A130 HydrophobicContact CB-CB 4.33Å; I83-A130 HydrophobicContact CG1-CB 4.45Å; I83-A130 HydrophobicContact CG2-CB 3.81Å
84E98.3Very high97.2Very high128 Ų12853.8 Ų53.860%0.59830%0.301SS*.Hα-helixtrans-61.3-41.1176.4-70.5177.4-171.900112S80 E81 L82 N88S80-E84 PolarHBondContact O-N 3.04Å; S80-E84 VanDerWaalsContact O-N 3.09Å; E81-E84 PolarHBondContact O-N 2.86Å; L82-E84 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 2.91Å; E84-N88 PolarHBondContact O-N 3.38Å; E84-N88 PolarHBondContact O-ND2 3.36Å
85Q98.3Very high97.1Very high71 Ų7156.3 Ų56.333%0.33232%0.315SS..Hα-helixtrans-65.2-42.9175.3-70.4179.722.300111.9C74 D75 E81 L82 I83 N88 L89C74-Q85 HydrophobicContact CB-CB 4.02Å; C74-Q85 VanDerWaalsContact CB-OE1 3.26Å; D75-Q85 PolarHBondContact O-NE2 2.72Å; D75-Q85 PolarHBondContact O-OE1 2.9Å; E81-Q85 WeakPolarHBondContact O-CG 3.27Å; E81-Q85 PolarHBondContact O-N 2.96Å; L82-Q85 PolarHBondContact O-N 3.03Å; I83-Q85 VanDerWaalsContact C-N 3.33Å; I83-Q85 PolarHBondContact O-N 2.99Å; Q85-N88 CarbonylContact O-C 3.51Å; Q85-N88 PolarHBondContact O-N 2.97Å; Q85-N88 VanDerWaalsContact O-N 3.14Å; Q85-L89 PolarHBondContact O-N 2.62Å
86V98.3Very high96.9Very high3 Ų356.9 Ų56.92%0.01832%0.322CS..Hα-helixtrans-63.3-43.8179.8170.60000111.3L82 I83 N88 L89 I127 A130 H131 Y174L82-V86 HydrophobicContact CG-CG2 4.46Å; L82-V86 VanDerWaalsContact O-CG2 3.26Å; L82-V86 WeakPolarHBondContact O-CG2 3.31Å; L82-V86 PolarHBondContact O-N 2.84Å; I83-V86 PolarHBondContact O-N 3.32Å; V86-N88 PolarHBondContact O-N 2.98Å; V86-N88 VanDerWaalsContact O-N 3.11Å; V86-L89 HydrophobicContact CB-CD1 4.43Å; V86-L89 HydrophobicContact CG1-CD1 4.38Å; V86-L89 HydrophobicContact CG2-CD1 4.37Å; V86-L89 WeakPolarHBondContact O-CB 3.25Å; V86-L89 PolarHBondContact O-N 2.97Å; V86-L89 VanDerWaalsContact O-N 3.1Å; V86-I127 HydrophobicContact CG2-CG2 4.32Å; V86-A130 HydrophobicContact CB-CB 4.05Å; V86-A130 HydrophobicContact CG1-CB 3.75Å; V86-H131 VanDerWaalsContact CG1-CD2 3.42Å; V86-H131 WeakPolarHBondContact CG1-CD2 3.33Å; V86-H131 WeakPolarHBondContact CG1-NE2 3.44Å; V86-Y174 HydrophobicContact CG2-CD1 3.87Å; V86-Y174 HydrophobicContact CG2-CE1 4.1Å
87A97.4Very high96.8Very high38 Ų3858.8 Ų58.831%0.31433%0.328SS..Hα-helixtrans-60.1-23.2176.300000113.1I83 A130 K132I83-A87 WeakPolarHBondContact O-CB 3.47Å; I83-A87 PolarHBondContact O-N 3.16Å; A87-A130 VanDerWaalsContact CA-O 3.26Å; A87-A130 WeakPolarHBondContact CA-O 3.41Å; A87-K132 WeakPolarHBondContact O-CE 3.47Å
88N97.2Very high96.9Very high126 Ų12656.5 Ų56.567%0.67431%0.309SS*.THydrogen-bonded Turntrans-102.36.6-179.7-70.3-57.7000114.1E84 Q85 V86E84-N88 PolarHBondContact O-N 3.38Å; E84-N88 PolarHBondContact O-ND2 3.36Å; Q85-N88 CarbonylContact O-C 3.51Å; Q85-N88 PolarHBondContact O-N 2.97Å; Q85-N88 VanDerWaalsContact O-N 3.14Å; V86-N88 PolarHBondContact O-N 2.98Å; V86-N88 VanDerWaalsContact O-N 3.11Å
89L97.3Very high96.7Very high16 Ų1654.8 Ų54.88%0.08430%0.298CS..  trans-62.6138.7178.1-75170.2000111.6W73 Q85 V86 L93 V94 Y174W73-L89 HydrophobicContact CB-CD1 4.33Å; W73-L89 HydrophobicContact CB-CD2 4Å; Q85-L89 PolarHBondContact O-N 2.62Å; V86-L89 HydrophobicContact CB-CD1 4.43Å; V86-L89 HydrophobicContact CG1-CD1 4.38Å; V86-L89 HydrophobicContact CG2-CD1 4.37Å; V86-L89 WeakPolarHBondContact O-CB 3.25Å; V86-L89 PolarHBondContact O-N 2.97Å; V86-L89 VanDerWaalsContact O-N 3.1Å; L89-L93 HydrophobicContact CD2-CD2 3.97Å; L89-V94 HydrophobicContact CB-CG1 4.25Å; L89-V94 HydrophobicContact CD1-CG1 3.95Å; L89-Y174 HydrophobicContact CD1-CE1 4.43Å
90P96.1Very high96.4Very high58 Ų5854 Ų5438%0.37730%0.302SS..  trans-63.1135.7171.4-20.532.3000111.1E92 L93P90-E92 VanDerWaalsContact C-N 3.28Å; P90-E92 HydrophobicContact CB-CG 4.29Å; P90-E92 PolarHBondContact O-N 2.77Å; P90-L93 HydrophobicContact CB-CB 4.42Å; P90-L93 WeakPolarHBondContact O-CB 3.36Å; P90-L93 PolarHBondContact O-N 3.09Å; P90-L93 VanDerWaalsContact O-N 3.09Å
91S93.9Very high96.2Very high53 Ų5356.7 Ų56.737%0.37132%0.32SS..Hα-helixtrans-59.3-39.7179.2-67.50000111.6L93 V94 D95S91-L93 PolarHBondContact O-N 2.92Å; S91-V94 PolarHBondContact O-N 3.03Å; S91-V94 VanDerWaalsContact O-N 3.15Å; S91-D95 WeakPolarHBondContact CB-OD2 3.47Å; S91-D95 WeakPolarHBondContact O-CB 3.42Å; S91-D95 PolarHBondContact O-N 3.44Å
92E95Very high96Very high156 Ų15656.3 Ų56.373%0.72932%0.32SS*.Hα-helixtrans-61.1-21.5178.466.2-95.4-161.300114.4P90P90-E92 VanDerWaalsContact C-N 3.28Å; P90-E92 HydrophobicContact CB-CG 4.29Å; P90-E92 PolarHBondContact O-N 2.77Å
93L95.3Very high96Very high43 Ų4357.4 Ų57.423%0.22533%0.327CS..Hα-helixtrans-81.3-34-179.8179.461.3000112.3H71 W73 L89 P90 S91 Y97H71-L93 WeakPolarHBondContact CE1-CD1 3.45Å; W73-L93 HydrophobicContact CG-CD2 4.22Å; W73-L93 HydrophobicContact CG-CG 4.49Å; L89-L93 HydrophobicContact CD2-CD2 3.97Å; P90-L93 HydrophobicContact CB-CB 4.42Å; P90-L93 WeakPolarHBondContact O-CB 3.36Å; P90-L93 PolarHBondContact O-N 3.09Å; P90-L93 VanDerWaalsContact O-N 3.09Å; S91-L93 PolarHBondContact O-N 2.92Å; L93-Y97 WeakPolarHBondContact O-CD2 3.36Å; L93-Y97 WeakPolarHBondContact O-CE2 3.39Å
94V96.1Very high96Very high7 Ų755.3 Ų55.34%0.04232%0.316CS..Hα-helixtrans-107.9-30.7-171.1-64.10000113.2W73 L89 S91 P96 Y97 L98W73-V94 HydrophobicContact CE3-CG1 4.31Å; W73-V94 HydrophobicContact CH2-CG1 4.32Å; W73-V94 HydrophobicContact CZ3-CG1 4.21Å; L89-V94 HydrophobicContact CB-CG1 4.25Å; L89-V94 HydrophobicContact CD1-CG1 3.95Å; S91-V94 PolarHBondContact O-N 3.03Å; S91-V94 VanDerWaalsContact O-N 3.15Å; V94-P96 VanDerWaalsContact C-CD 3.41Å; V94-Y97 PolarHBondContact O-N 2.84Å; V94-L98 HydrophobicContact CB-CD1 4.32Å; V94-L98 PolarHBondContact O-N 3.12Å
95D95.7Very high95.9Very high56 Ų5651.4 Ų51.430%0.29930%0.297SS..Hα-helixtrans-55.5-41-174.6-74.5-4.5000114.1S91 Y97 N99S91-D95 WeakPolarHBondContact CB-OD2 3.47Å; S91-D95 WeakPolarHBondContact O-CB 3.42Å; S91-D95 PolarHBondContact O-N 3.44Å; D95-Y97 PolarHBondContact O-N 3.49Å; D95-N99 HydrophobicContact CB-CB 4.2Å; D95-N99 CarbonylContact O-C 3.58Å; D95-N99 WeakPolarHBondContact O-CA 3.12Å; D95-N99 PolarHBondContact O-N 3.05Å; D95-N99 PolarHBondContact OD1-ND2 3.34Å
96P95.4Very high95.9Very high68 Ų6849.3 Ų49.344%0.44229%0.288SS..Hα-helixtrans-60-17.3177.5-24.935.5000114.5V94V94-P96 VanDerWaalsContact C-CD 3.41Å
97Y96.4Very high95.9Very high46 Ų4651.3 Ų51.318%0.1830%0.3CS..Hα-helixtrans-119.1-27.5-171.5-46.5-62.3000113.4W73 L93 V94 D95 H145 R176W73-Y97 HydrophobicContact CH2-CD2 4.23Å; W73-Y97 AromaticContact CZ2-CD2 3.72Å; W73-Y97 HydrophobicContact CZ2-CD2 3.72Å; W73-Y97 HydrophobicContact CZ2-CE2 4.22Å; L93-Y97 WeakPolarHBondContact O-CD2 3.36Å; L93-Y97 WeakPolarHBondContact O-CE2 3.39Å; V94-Y97 PolarHBondContact O-N 2.84Å; D95-Y97 PolarHBondContact O-N 3.49Å; Y97-H145 HydrophobicContact CD1-CB 4.5Å; Y97-H145 AromaticContact CD1-CE1 3.75Å; Y97-H145 AromaticContact CD1-CG 3.79Å; Y97-H145 AromaticContact CD1-ND1 3.5Å; Y97-R176 VanDerWaalsContact CD1-CD 3.43Å; Y97-R176 VanDerWaalsContact CZ-CD 3.45Å; Y97-R176 PolarHBondContact OH-NE 3.4Å; Y97-R176 PolarHBondContact OH-NH2 2.89Å
98L96.8Very high95.9Very high0 Ų049.9 Ų49.90%029%0.287CS..Hα-helixtrans-118.5-13.8-175-65-178.5000113.8W73 V94 F104 H131 D135 A136 I147W73-L98 HydrophobicContact CH2-CD1 4.48Å; W73-L98 HydrophobicContact CZ3-CD1 4.24Å; V94-L98 HydrophobicContact CB-CD1 4.32Å; V94-L98 PolarHBondContact O-N 3.12Å; L98-F104 HydrophobicContact CD2-CD1 4.16Å; L98-F104 HydrophobicContact CD2-CD2 3.62Å; L98-F104 HydrophobicContact CD2-CE1 4.23Å; L98-F104 HydrophobicContact CD2-CE2 3.73Å; L98-F104 HydrophobicContact CD2-CG 3.85Å; L98-F104 HydrophobicContact CD2-CZ 4.03Å; L98-H131 VanDerWaalsContact CD1-CE1 3.48Å; L98-H131 WeakPolarHBondContact CD1-CE1 3.44Å; L98-D135 PolarHBondContact O-N 3.36Å; L98-A136 VanDerWaalsContact C-CB 3.47Å; L98-A136 WeakPolarHBondContact O-CB 3.37Å; L98-A136 PolarHBondContact O-N 3Å; L98-I147 HydrophobicContact CD2-CG1 4.02Å
99N94Very high95.8Very high23 Ų2345.7 Ų45.712%0.12327%0.267CS..SBendtrans-131.831.7-173.1-62.1-50.2000114.1D95 R133 I134 D135D95-N99 HydrophobicContact CB-CB 4.2Å; D95-N99 CarbonylContact O-C 3.58Å; D95-N99 WeakPolarHBondContact O-CA 3.12Å; D95-N99 PolarHBondContact O-N 3.05Å; D95-N99 PolarHBondContact OD1-ND2 3.34Å; N99-R133 PolarHBondContact ND2-O 2.89Å; N99-R133 VanDerWaalsContact ND2-O 3.11Å; N99-R133 WeakPolarHBondContact OD1-CG 3.35Å; N99-R133 PolarHBondContact OD1-O 3.23Å; N99-I134 WeakPolarHBondContact OD1-CA 3.43Å; N99-I134 PolarHBondContact OD1-N 3.44Å; N99-D135 PolarHBondContact OD1-N 3.49Å
100G89.8Confident95.6Very high36 Ų3646.6 Ų46.637%0.37128%0.275SS..SBendtrans-121.3-169.5178.900000114D102G100-D102 VanDerWaalsContact C-N 3.25Å
101C93.3Very high95.5Very high137 Ų13744.3 Ų44.393%0.92626%0.261SS*.SBendtrans-75.7-15.3173.7-60.60000113.2
102D95.7Very high95.3Very high70 Ų7045.3 Ų45.337%0.37426%0.26SS..SBendtrans-69.9158.7179.4-67.6-8.3000111.2G100 A136 D144 H145G100-D102 VanDerWaalsContact C-N 3.25Å; D102-A136 WeakPolarHBondContact O-CB 3.3Å; D102-D144 HydrophobicContact CB-CB 3.98Å; D102-H145 IonicContact OD2-CD2 3.66Å; D102-H145 IonicContact OD2-CE1 3.77Å; D102-H145 IonicContact OD2-NE2 3.73Å; D102-H145 PolarHBondContact OD2-NE2 2.89Å
103T97.4Very high95.1Very high23 Ų2341 Ų4114%0.14124%0.238CC..EExtended strand (participates in β ladder)trans-98.7151.4176.9660000111.9Q137 P143 D144 H145T103-Q137 CarbonylContact C-O 3.58Å; T103-Q137 WeakPolarHBondContact CA-O 3.35Å; T103-Q137 WeakPolarHBondContact CB-O 3.45Å; T103-Q137 HydrophobicContact CG2-CB 4.31Å; T103-P143 WeakPolarHBondContact OG1-CA 3.49Å; T103-D144 WeakPolarHBondContact CB-OD2 3.43Å; T103-D144 PolarHBondContact N-OD2 3.23Å; T103-D144 WeakPolarHBondContact O-CB 3.48Å; T103-D144 PolarHBondContact O-N 2.8Å; T103-D144 PolarHBondContact OG1-N 2.92Å; T103-D144 VanDerWaalsContact OG1-N 3.14Å; T103-D144 PolarHBondContact OG1-OD2 2.95Å; T103-H145 PolarHBondContact O-N 2.86Å
104F97.9Very high94.8Very high3 Ų348.6 Ų48.61%0.01327%0.27CS..EExtended strand (participates in β ladder)trans-135.4163.9177.179.8-80.1000113.8L98 I106 L128 I134 A136 Q137 V138 S139 H145L98-F104 HydrophobicContact CD2-CD1 4.16Å; L98-F104 HydrophobicContact CD2-CD2 3.62Å; L98-F104 HydrophobicContact CD2-CE1 4.23Å; L98-F104 HydrophobicContact CD2-CE2 3.73Å; L98-F104 HydrophobicContact CD2-CG 3.85Å; L98-F104 HydrophobicContact CD2-CZ 4.03Å; F104-I106 HydrophobicContact CD2-CD1 3.84Å; F104-I106 HydrophobicContact CD2-CG1 4.33Å; F104-I106 HydrophobicContact CE2-CD1 3.66Å; F104-I106 HydrophobicContact CE2-CG1 3.89Å; F104-L128 HydrophobicContact CE2-CD2 4.34Å; F104-I134 HydrophobicContact CE1-CG2 3.87Å; F104-I134 HydrophobicContact CZ-CG2 3.76Å; F104-A136 HydrophobicContact CD1-CB 3.59Å; F104-A136 HydrophobicContact CE1-CB 3.95Å; F104-A136 WeakPolarHBondContact CE1-O 3.15Å; F104-Q137 PolarHBondContact N-O 3.09Å; F104-V138 HydrophobicContact CE1-CG2 3.9Å; F104-V138 HydrophobicContact CE2-CG2 4.35Å; F104-V138 HydrophobicContact CZ-CG2 3.75Å; F104-V138 CarbonylContact O-C 3.56Å; F104-V138 WeakPolarHBondContact O-CA 3.36Å; F104-S139 PolarHBondContact O-N 2.85Å; F104-H145 CarbonylContact C-O 3.56Å; F104-H145 WeakPolarHBondContact CA-O 3.31Å; F104-H145 HydrophobicContact CB-CB 4.18Å
105K97.7Very high94.6Very high46 Ų4649.1 Ų49.120%0.227%0.272CS..EExtended strand (participates in β ladder)trans-134.1154.8164.276.4-179.9165.6-154.80112.1V107 S139 P143 H145 Q146 I147K105-V107 HydrophobicContact CD-CG2 4.05Å; K105-V107 HydrophobicContact CG-CG2 4.15Å; K105-S139 WeakPolarHBondContact CB-O 3.39Å; K105-P143 HydrophobicContact CB-CB 4.17Å; K105-P143 HydrophobicContact CB-CG 4.2Å; K105-P143 HydrophobicContact CD-CB 4.47Å; K105-P143 HydrophobicContact CD-CG 3.61Å; K105-P143 HydrophobicContact CG-CB 4.15Å; K105-P143 HydrophobicContact CG-CG 3.73Å; K105-H145 PolarHBondContact N-O 3.01Å; K105-Q146 HydrophobicContact CD-CG 4.39Å; K105-Q146 HydrophobicContact CG-CB 4.31Å; K105-Q146 HydrophobicContact CG-CG 3.88Å; K105-I147 PolarHBondContact O-N 2.76Å
106I97.9Very high94.5Very high28 Ų2853.2 Ų53.214%0.14429%0.287CS..EExtended strand (participates in β ladder)trans-102.7131.7170-52.9-55.8000110.3F104 I124 L128 I147 I149F104-I106 HydrophobicContact CD2-CD1 3.84Å; F104-I106 HydrophobicContact CD2-CG1 4.33Å; F104-I106 HydrophobicContact CE2-CD1 3.66Å; F104-I106 HydrophobicContact CE2-CG1 3.89Å; I106-I124 HydrophobicContact CB-CG2 4.04Å; I106-I124 HydrophobicContact CG1-CG2 4.22Å; I106-I124 HydrophobicContact CG2-CD1 4.28Å; I106-I124 HydrophobicContact CG2-CG1 3.98Å; I106-I124 HydrophobicContact CG2-CG2 3.88Å; I106-L128 HydrophobicContact CD1-CD2 4.01Å; I106-L128 HydrophobicContact CG1-CD1 4.27Å; I106-L128 HydrophobicContact CG1-CD2 4Å; I106-L128 HydrophobicContact CG1-CG 4.5Å; I106-I147 CarbonylContact C-O 3.56Å; I106-I147 WeakPolarHBondContact CA-O 3.35Å; I106-I147 HydrophobicContact CD1-CB 3.61Å; I106-I147 HydrophobicContact CD1-CG1 4.15Å; I106-I147 HydrophobicContact CD1-CG2 4.24Å; I106-I149 HydrophobicContact CG2-CD1 3.66Å; I106-I149 HydrophobicContact CG2-CG1 4.31Å
107V97.1Very high94.3Very high44 Ų4455.1 Ų55.127%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-123110.3174.3178.30000110.2K105 Q146 I147 N148 I149K105-V107 HydrophobicContact CD-CG2 4.05Å; K105-V107 HydrophobicContact CG-CG2 4.15Å; V107-Q146 HydrophobicContact CB-CG 4.44Å; V107-Q146 HydrophobicContact CG2-CG 3.87Å; V107-I147 PolarHBondContact N-O 3.07Å; V107-N148 WeakPolarHBondContact O-CA 3.4Å; V107-N148 PolarHBondContact O-ND2 3.45Å; V107-I149 PolarHBondContact O-N 3.01Å; V107-I149 VanDerWaalsContact O-N 3.09Å
108L97.5Very high94.2Very high9 Ų959 Ų595%0.04731%0.31CS..EExtended strand (participates in β ladder)trans-90.8120.4173.2-170.3164.4000110.9L115 K120 I123 I124 I149 L151L108-L115 HydrophobicContact CD2-CD1 3.97Å; L108-K120 HydrophobicContact CB-CD 4.38Å; L108-K120 HydrophobicContact CB-CG 4.48Å; L108-K120 HydrophobicContact CD1-CB 4.06Å; L108-K120 HydrophobicContact CD1-CG 4.22Å; L108-K120 HydrophobicContact CD2-CD 4.1Å; L108-K120 HydrophobicContact CD2-CG 3.83Å; L108-K120 HydrophobicContact CG-CG 4.4Å; L108-I123 HydrophobicContact CD1-CB 3.9Å; L108-I123 HydrophobicContact CD1-CD1 4.27Å; L108-I123 HydrophobicContact CD1-CG2 3.8Å; L108-I124 HydrophobicContact CB-CD1 4.07Å; L108-I124 HydrophobicContact CB-CG1 4.19Å; L108-I124 HydrophobicContact CD1-CG1 4.12Å; L108-I149 WeakPolarHBondContact CA-O 3.46Å; L108-I149 HydrophobicContact CB-CB 4.31Å; L108-I149 HydrophobicContact CD1-CG2 4.3Å; L108-I149 HydrophobicContact CG-CB 4.12Å; L108-I149 HydrophobicContact CG-CG2 4.14Å; L108-L151 HydrophobicContact CD1-CD1 4.13Å; L108-L151 HydrophobicContact CD2-CD1 3.75Å; L108-L151 HydrophobicContact CD2-CG 4.18Å; L108-L151 HydrophobicContact CG-CD1 4.2Å; L108-L151 HydrophobicContact CG-CG 4.44Å
109S95Very high94Very high37 Ų3763 Ų6326%0.25933%0.329SS..EExtended strand (participates in β ladder)trans-121143.4175.9-65.10000110.7I149 L150 L151S109-I149 PolarHBondContact N-O 3.41Å; S109-L150 WeakPolarHBondContact O-CA 3.19Å; S109-L151 PolarHBondContact O-N 2.76Å
110S94.1Very high94.1Very high35 Ų3564 Ų6425%0.24533%0.332CS..EExtended strand (participates in β ladder)trans-125.1142.7177.452.70000111.9K113 L151S110-K113 VanDerWaalsContact CB-O 3.26Å; S110-K113 WeakPolarHBondContact CB-O 3.32Å; S110-K113 PolarHBondContact OG-O 3.31Å; S110-L151 CarbonylContact C-O 3.53Å; S110-L151 VanDerWaalsContact CA-O 3.26Å; S110-L151 WeakPolarHBondContact CA-O 3.42Å
111A92.9Very high94.4Very high10 Ų1065.7 Ų65.78%0.08333%0.332CS..EExtended strand (participates in β ladder)trans-101.4146.8170.100000110.3P44 F45 K113 L151 Y153P44-A111 HydrophobicContact CB-CB 3.63Å; P44-A111 HydrophobicContact CG-CB 3.47Å; P44-A111 VanDerWaalsContact CG-CB 3.47Å; F45-A111 HydrophobicContact CE2-CB 3.75Å; F45-A111 HydrophobicContact CZ-CB 3.97Å; A111-K113 PolarHBondContact O-N 3.35Å; A111-L151 PolarHBondContact N-O 2.8Å; A111-Y153 PolarHBondContact O-N 2.92Å
112H89.8Confident94.6Very high75 Ų7562.3 Ų62.335%0.34731%0.308SS..SBendtrans61.4-10.6178.1-50.2-65.8000117.6Y153H112-Y153 WeakPolarHBondContact CB-O 3.07Å; H112-Y153 PolarHBondContact CD2-O 2.76Å
113K90.8Very high94.6Very high64 Ų6460.4 Ų60.428%0.27830%0.298SS..SBendtrans-134.6127171.4-173.4-175.3175.4-169.60109.9S110 A111 L115 Y153S110-K113 VanDerWaalsContact CB-O 3.26Å; S110-K113 WeakPolarHBondContact CB-O 3.32Å; S110-K113 PolarHBondContact OG-O 3.31Å; A111-K113 PolarHBondContact O-N 3.35Å; K113-L115 HydrophobicContact CD-CD2 3.91Å; K113-L115 HydrophobicContact CG-CD2 4.3Å; K113-Y153 HydrophobicContact CB-CD1 4.06Å; K113-Y153 HydrophobicContact CB-CD2 3.58Å; K113-Y153 HydrophobicContact CB-CE1 4.49Å; K113-Y153 HydrophobicContact CB-CE2 4.05Å; K113-Y153 HydrophobicContact CB-CG 3.58Å; K113-Y153 HydrophobicContact CD-CD1 3.59Å; K113-Y153 HydrophobicContact CD-CD2 4.23Å; K113-Y153 HydrophobicContact CD-CE1 3.38Å; K113-Y153 HydrophobicContact CD-CE2 4.05Å; K113-Y153 HydrophobicContact CD-CG 4Å; K113-Y153 HydrophobicContact CG-CD1 4.46Å; K113-Y153 HydrophobicContact CG-CG 4.44Å
114K89.8Confident94.6Very high203 Ų20360.7 Ų60.788%0.88330%0.298SS*.  trans-78132.7167.8-67.9-174.5178.6-177.90108.7
115L92.1Very high94.6Very high19 Ų1965.6 Ų65.610%0.09932%0.321CS..  trans-112.5137.3174.8-64.4174.1000109.2L108 K113 E119 K120 L151 Y153L108-L115 HydrophobicContact CD2-CD1 3.97Å; K113-L115 HydrophobicContact CD-CD2 3.91Å; K113-L115 HydrophobicContact CG-CD2 4.3Å; L115-E119 HydrophobicContact CD2-CB 4.49Å; L115-K120 HydrophobicContact CB-CG 4.17Å; L115-K120 WeakPolarHBondContact O-CE 3.45Å; L115-L151 HydrophobicContact CD1-CD1 3.62Å; L115-Y153 HydrophobicContact CD1-CE2 4.25Å
116K93.1Very high94.6Very high141 Ų14166.1 Ų66.161%0.61333%0.328SS*.  trans-72.4164.4170.1-60.4-177.1-179.6-1800110.6E118 E119 K120K116-E118 VanDerWaalsContact C-N 3.31Å; K116-E118 VanDerWaalsContact CB-OE2 3.25Å; K116-E118 WeakPolarHBondContact CB-OE2 3.46Å; K116-E118 WeakPolarHBondContact CD-OE2 3.06Å; K116-E118 PolarHBondContact O-N 2.86Å; K116-E119 HydrophobicContact CB-CG 4.45Å; K116-E119 PolarHBondContact N-OE2 3.04Å; K116-E119 PolarHBondContact O-N 3.26Å; K116-K120 WeakPolarHBondContact O-CG 3.24Å; K116-K120 PolarHBondContact O-N 2.89Å
117Q91.2Very high94.6Very high109 Ų10964.9 Ų64.951%0.50932%0.322SS..Hα-helixtrans-65.6-39.7-177.1-17261.321.100111.3E119 K120 I121Q117-E119 PolarHBondContact O-N 3.47Å; Q117-K120 WeakPolarHBondContact O-CB 3.4Å; Q117-K120 PolarHBondContact O-N 3.23Å; Q117-I121 HydrophobicContact CG-CD1 4.43Å; Q117-I121 PolarHBondContact O-N 3.01Å
118E94.5Very high94.5Very high127 Ų12764.6 Ų64.659%0.59332%0.319SS*.Hα-helixtrans-59.1-31.9176.9-4578.4-110.800113K116 K120 P122K116-E118 VanDerWaalsContact C-N 3.31Å; K116-E118 VanDerWaalsContact CB-OE2 3.25Å; K116-E118 WeakPolarHBondContact CB-OE2 3.46Å; K116-E118 WeakPolarHBondContact CD-OE2 3.06Å; K116-E118 PolarHBondContact O-N 2.86Å; E118-K120 VanDerWaalsContact C-N 3.35Å; E118-P122 WeakPolarHBondContact O-CD 3.16Å
119E93.8Very high94.5Very high83 Ų8370.6 Ų70.639%0.38835%0.351SS..Hα-helixtrans-77-22.3176.9-65.8174.991.500112.5L115 K116 Q117 I123L115-E119 HydrophobicContact CD2-CB 4.49Å; K116-E119 HydrophobicContact CB-CG 4.45Å; K116-E119 PolarHBondContact N-OE2 3.04Å; K116-E119 PolarHBondContact O-N 3.26Å; Q117-E119 PolarHBondContact O-N 3.47Å; E119-I123 WeakPolarHBondContact O-CD1 3.46Å
120K95.7Very high94.6Very high44 Ų4469.6 Ų69.619%0.19135%0.345CS..Hα-helixtrans-84-37.5-176-66.1177.1-172.6179.80112.5L108 L115 K116 Q117 E118 I123 I124L108-K120 HydrophobicContact CB-CD 4.38Å; L108-K120 HydrophobicContact CB-CG 4.48Å; L108-K120 HydrophobicContact CD1-CB 4.06Å; L108-K120 HydrophobicContact CD1-CG 4.22Å; L108-K120 HydrophobicContact CD2-CD 4.1Å; L108-K120 HydrophobicContact CD2-CG 3.83Å; L108-K120 HydrophobicContact CG-CG 4.4Å; L115-K120 HydrophobicContact CB-CG 4.17Å; L115-K120 WeakPolarHBondContact O-CE 3.45Å; K116-K120 WeakPolarHBondContact O-CG 3.24Å; K116-K120 PolarHBondContact O-N 2.89Å; Q117-K120 WeakPolarHBondContact O-CB 3.4Å; Q117-K120 PolarHBondContact O-N 3.23Å; E118-K120 VanDerWaalsContact C-N 3.35Å; K120-I123 PolarHBondContact O-N 3.03Å; K120-I124 HydrophobicContact CB-CD1 4.4Å; K120-I124 WeakPolarHBondContact O-CG1 3.46Å; K120-I124 PolarHBondContact O-N 3.2Å
121I95.8Very high94.8Very high73 Ų7368.8 Ų68.837%0.37434%0.337SS..Hα-helixtrans-57.3-50.4-173.1-67.4167.2000111.4Q117 I123 I124 E125Q117-I121 HydrophobicContact CG-CD1 4.43Å; Q117-I121 PolarHBondContact O-N 3.01Å; I121-I123 VanDerWaalsContact C-N 3.27Å; I121-I123 PolarHBondContact O-N 2.99Å; I121-I124 WeakPolarHBondContact O-CB 3.47Å; I121-I124 PolarHBondContact O-N 3.32Å; I121-E125 HydrophobicContact CG2-CG 4.22Å; I121-E125 VanDerWaalsContact CG2-OE1 3.3Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.38Å; I121-E125 WeakPolarHBondContact O-CG 3.46Å; I121-E125 PolarHBondContact O-N 3.42Å
122P96.8Very high94.9Very high65 Ų6575.4 Ų75.442%0.42236%0.364SS..Hα-helixtrans-61.2-35.4-179.8-24.234.7000113.2E118 T126E118-P122 WeakPolarHBondContact O-CD 3.16Å; P122-T126 WeakPolarHBondContact O-CB 3.4Å; P122-T126 PolarHBondContact O-N 3.21Å; P122-T126 PolarHBondContact O-OG1 2.93Å
123I97Very high95.1Very high31 Ų3178.4 Ų78.416%0.15937%0.372CS..Hα-helixtrans-66.4-42.6177.5-59.1173.7000110.2L79 L108 E119 K120 I121 I127 L151L79-I123 HydrophobicContact CD1-CG2 4.3Å; L108-I123 HydrophobicContact CD1-CB 3.9Å; L108-I123 HydrophobicContact CD1-CD1 4.27Å; L108-I123 HydrophobicContact CD1-CG2 3.8Å; E119-I123 WeakPolarHBondContact O-CD1 3.46Å; K120-I123 PolarHBondContact O-N 3.03Å; I121-I123 VanDerWaalsContact C-N 3.27Å; I121-I123 PolarHBondContact O-N 2.99Å; I123-I127 HydrophobicContact CG2-CD1 3.86Å; I123-I127 WeakPolarHBondContact O-CD1 3.17Å; I123-I127 VanDerWaalsContact O-CG1 3.28Å; I123-I127 WeakPolarHBondContact O-CG1 3.44Å; I123-I127 PolarHBondContact O-N 2.95Å; I123-L151 HydrophobicContact CD1-CD1 4.01Å
124I97.1Very high95.3Very high28 Ų2878 Ų7814%0.14437%0.372CS..Hα-helixtrans-63.7-51.6178.3-68.2166.8000110.2I106 L108 K120 I121 T126 I127 L128 I149I106-I124 HydrophobicContact CB-CG2 4.04Å; I106-I124 HydrophobicContact CG1-CG2 4.22Å; I106-I124 HydrophobicContact CG2-CD1 4.28Å; I106-I124 HydrophobicContact CG2-CG1 3.98Å; I106-I124 HydrophobicContact CG2-CG2 3.88Å; L108-I124 HydrophobicContact CB-CD1 4.07Å; L108-I124 HydrophobicContact CB-CG1 4.19Å; L108-I124 HydrophobicContact CD1-CG1 4.12Å; K120-I124 HydrophobicContact CB-CD1 4.4Å; K120-I124 WeakPolarHBondContact O-CG1 3.46Å; K120-I124 PolarHBondContact O-N 3.2Å; I121-I124 WeakPolarHBondContact O-CB 3.47Å; I121-I124 PolarHBondContact O-N 3.32Å; I124-T126 PolarHBondContact O-N 3.42Å; I124-I127 PolarHBondContact O-N 2.79Å; I124-L128 HydrophobicContact CG2-CD1 3.77Å; I124-L128 HydrophobicContact CG2-CG 4.28Å; I124-L128 WeakPolarHBondContact O-CG 3.19Å; I124-L128 PolarHBondContact O-N 2.74Å; I124-I149 HydrophobicContact CG1-CD1 3.9Å
125E96.6Very high95.5Very high106 Ų10672.6 Ų72.650%0.49535%0.353SS..Hα-helixtrans-57.5-49.6-179.7-70.4170.1166.100111.1I121 I127 L128 D129I121-E125 HydrophobicContact CG2-CG 4.22Å; I121-E125 VanDerWaalsContact CG2-OE1 3.3Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.38Å; I121-E125 WeakPolarHBondContact O-CG 3.46Å; I121-E125 PolarHBondContact O-N 3.42Å; E125-I127 VanDerWaalsContact C-N 3.26Å; E125-I127 PolarHBondContact O-N 2.84Å; E125-L128 PolarHBondContact O-N 2.87Å; E125-D129 VanDerWaalsContact O-CG 3.28Å; E125-D129 PolarHBondContact O-N 3.34Å
126T97.6Very high95.7Very high58 Ų5872.2 Ų72.236%0.35635%0.353SS..Hα-helixtrans-58.9-37.1179.7-51.90000112.6I83 P122 I124 A130I83-T126 HydrophobicContact CD1-CG2 3.42Å; I83-T126 VanDerWaalsContact CD1-CG2 3.42Å; I83-T126 HydrophobicContact CG1-CG2 4.13Å; P122-T126 WeakPolarHBondContact O-CB 3.4Å; P122-T126 PolarHBondContact O-N 3.21Å; P122-T126 PolarHBondContact O-OG1 2.93Å; I124-T126 PolarHBondContact O-N 3.42Å; T126-A130 PolarHBondContact O-N 3.36Å
127I97.7Very high95.8Very high1 Ų172.1 Ų72.11%0.00536%0.355CS..Hα-helixtrans-74.2-36.6177.6-69.5166.5000111.2L79 L82 V86 I123 I124 E125 A130 H131 I149 Y174L79-I127 HydrophobicContact CD1-CD1 4Å; L79-I127 HydrophobicContact CD1-CG1 3.87Å; L82-I127 HydrophobicContact CD2-CD1 3.47Å; L82-I127 VanDerWaalsContact CD2-CD1 3.47Å; L82-I127 HydrophobicContact CD2-CG1 3.91Å; V86-I127 HydrophobicContact CG2-CG2 4.32Å; I123-I127 HydrophobicContact CG2-CD1 3.86Å; I123-I127 WeakPolarHBondContact O-CD1 3.17Å; I123-I127 VanDerWaalsContact O-CG1 3.28Å; I123-I127 WeakPolarHBondContact O-CG1 3.44Å; I123-I127 PolarHBondContact O-N 2.95Å; I124-I127 PolarHBondContact O-N 2.79Å; E125-I127 VanDerWaalsContact C-N 3.26Å; E125-I127 PolarHBondContact O-N 2.84Å; I127-A130 WeakPolarHBondContact O-CB 3.44Å; I127-A130 PolarHBondContact O-N 3.01Å; I127-H131 PolarHBondContact O-CD2 3.36Å; I127-I149 HydrophobicContact CD1-CD1 3.68Å; I127-I149 HydrophobicContact CD1-CG1 3.97Å; I127-I149 HydrophobicContact CD1-CG2 4.02Å; I127-Y174 HydrophobicContact CG2-CD2 4.29Å; I127-Y174 HydrophobicContact CG2-CE1 4.38Å; I127-Y174 HydrophobicContact CG2-CE2 4.01Å
128L96.5Very high96Very high38 Ų3871 Ų7120%0.19936%0.355CS..Hα-helixtrans-66.9-43.3176.8-70174.9000111.3F104 I106 I124 E125 A130 H131 I134F104-L128 HydrophobicContact CE2-CD2 4.34Å; I106-L128 HydrophobicContact CD1-CD2 4.01Å; I106-L128 HydrophobicContact CG1-CD1 4.27Å; I106-L128 HydrophobicContact CG1-CD2 4Å; I106-L128 HydrophobicContact CG1-CG 4.5Å; I124-L128 HydrophobicContact CG2-CD1 3.77Å; I124-L128 HydrophobicContact CG2-CG 4.28Å; I124-L128 WeakPolarHBondContact O-CG 3.19Å; I124-L128 PolarHBondContact O-N 2.74Å; E125-L128 PolarHBondContact O-N 2.87Å; L128-A130 PolarHBondContact O-N 2.84Å; L128-H131 WeakPolarHBondContact O-CB 3.21Å; L128-H131 PolarHBondContact O-N 2.8Å; L128-H131 VanDerWaalsContact O-N 3.07Å; L128-I134 HydrophobicContact CB-CD1 3.93Å; L128-I134 HydrophobicContact CD2-CD1 3.53Å; L128-I134 HydrophobicContact CG-CD1 4.32Å; L128-I134 WeakPolarHBondContact O-CD1 3.45Å
129D97Very high96.1Very high135 Ų13566.1 Ų66.172%0.72234%0.335SS*.Hα-helixtrans-63.8-20.5178.4-67.5-17.9000113E125 H131E125-D129 VanDerWaalsContact O-CG 3.28Å; E125-D129 PolarHBondContact O-N 3.34Å; D129-H131 VanDerWaalsContact C-N 3.32Å
130A97.5Very high96.2Very high16 Ų1668.9 Ų68.913%0.13235%0.351CS..THydrogen-bonded Turntrans-75.6-18176.300000113.3I83 V86 A87 T126 I127 L128I83-A130 HydrophobicContact CB-CB 4.33Å; I83-A130 HydrophobicContact CG1-CB 4.45Å; I83-A130 HydrophobicContact CG2-CB 3.81Å; V86-A130 HydrophobicContact CB-CB 4.05Å; V86-A130 HydrophobicContact CG1-CB 3.75Å; A87-A130 VanDerWaalsContact CA-O 3.26Å; A87-A130 WeakPolarHBondContact CA-O 3.41Å; T126-A130 PolarHBondContact O-N 3.36Å; I127-A130 WeakPolarHBondContact O-CB 3.44Å; I127-A130 PolarHBondContact O-N 3.01Å; L128-A130 PolarHBondContact O-N 2.84Å
131H97.4Very high96.1Very high19 Ų1971.9 Ų71.99%0.08838%0.378CS..SBendtrans-72.3143.7175.9-78.1-92000110.8V86 L98 I127 L128 D129 R133 I134 Y174V86-H131 VanDerWaalsContact CG1-CD2 3.42Å; V86-H131 WeakPolarHBondContact CG1-CD2 3.33Å; V86-H131 WeakPolarHBondContact CG1-NE2 3.44Å; L98-H131 VanDerWaalsContact CD1-CE1 3.48Å; L98-H131 WeakPolarHBondContact CD1-CE1 3.44Å; I127-H131 PolarHBondContact O-CD2 3.36Å; L128-H131 WeakPolarHBondContact O-CB 3.21Å; L128-H131 PolarHBondContact O-N 2.8Å; L128-H131 VanDerWaalsContact O-N 3.07Å; D129-H131 VanDerWaalsContact C-N 3.32Å; H131-R133 PolarHBondContact O-N 3.24Å; H131-I134 HydrophobicContact CB-CD1 3.84Å; H131-I134 HydrophobicContact CB-CG1 3.69Å; H131-Y174 AromaticContact CE1-CE1 3.93Å; H131-Y174 AromaticContact NE2-CE1 3.5Å; H131-Y174 AromaticContact NE2-CZ 3.6Å; H131-Y174 PolarHBondContact NE2-OH 3Å
132K94.7Very high96Very high149 Ų14972.8 Ų72.865%0.64839%0.391SS*.SBendtrans-61.1-32175.6-64.5173.1-175.5158.70112.7A87A87-K132 WeakPolarHBondContact O-CE 3.47Å
133R93.8Very high96.1Very high138 Ų13871.1 Ų71.152%0.52138%0.38SS..  trans-160.1136.3-174-171.8-178.2176-168.3-4.4109.6N99 H131 D135N99-R133 PolarHBondContact ND2-O 2.89Å; N99-R133 VanDerWaalsContact ND2-O 3.11Å; N99-R133 WeakPolarHBondContact OD1-CG 3.35Å; N99-R133 PolarHBondContact OD1-O 3.23Å; H131-R133 PolarHBondContact O-N 3.24Å; R133-D135 VanDerWaalsContact CG-OD1 3.25Å; R133-D135 WeakPolarHBondContact CG-OD1 3.36Å; R133-D135 IonicContact CZ-OD2 3.98Å; R133-D135 IonicContact NE-OD1 3.44Å; R133-D135 PolarHBondContact NE-OD1 2.9Å; R133-D135 IonicContact NE-OD2 3.73Å; R133-D135 PolarHBondContact NE-OD2 2.99Å; R133-D135 IonicContact NH2-OD2 2.9Å; R133-D135 PolarHBondContact NH2-OD2 2.87Å
134I95.2Very high96.1Very high54 Ų5474.3 Ų74.328%0.27740%0.397SS..  trans-140.9107.7169.6-58.5-174.3000107.2N99 F104 L128 H131N99-I134 WeakPolarHBondContact OD1-CA 3.43Å; N99-I134 PolarHBondContact OD1-N 3.44Å; F104-I134 HydrophobicContact CE1-CG2 3.87Å; F104-I134 HydrophobicContact CZ-CG2 3.76Å; L128-I134 HydrophobicContact CB-CD1 3.93Å; L128-I134 HydrophobicContact CD2-CD1 3.53Å; L128-I134 HydrophobicContact CG-CD1 4.32Å; L128-I134 WeakPolarHBondContact O-CD1 3.45Å; H131-I134 HydrophobicContact CB-CD1 3.84Å; H131-I134 HydrophobicContact CB-CG1 3.69Å
135D94.4Very high96.1Very high91 Ų9174.5 Ų74.549%0.48740%0.397SS..  trans-113.4-19.2-177.1-7312.9000113.4L98 N99 R133L98-D135 PolarHBondContact O-N 3.36Å; N99-D135 PolarHBondContact OD1-N 3.49Å; R133-D135 VanDerWaalsContact CG-OD1 3.25Å; R133-D135 WeakPolarHBondContact CG-OD1 3.36Å; R133-D135 IonicContact CZ-OD2 3.98Å; R133-D135 IonicContact NE-OD1 3.44Å; R133-D135 PolarHBondContact NE-OD1 2.9Å; R133-D135 IonicContact NE-OD2 3.73Å; R133-D135 PolarHBondContact NE-OD2 2.99Å; R133-D135 IonicContact NH2-OD2 2.9Å; R133-D135 PolarHBondContact NH2-OD2 2.87Å
136A95.6Very high96.2Very high10 Ų1071.5 Ų71.58%0.08338%0.384CS..SBendtrans-63.1148.8179.700000111.2L98 D102 F104L98-A136 VanDerWaalsContact C-CB 3.47Å; L98-A136 WeakPolarHBondContact O-CB 3.37Å; L98-A136 PolarHBondContact O-N 3Å; D102-A136 WeakPolarHBondContact O-CB 3.3Å; F104-A136 HydrophobicContact CD1-CB 3.59Å; F104-A136 HydrophobicContact CE1-CB 3.95Å; F104-A136 WeakPolarHBondContact CE1-O 3.15Å
137Q95.6Very high96.2Very high140 Ų14068.8 Ų68.865%0.65437%0.367SS*.EExtended strand (participates in β ladder)trans-79.6138.7179.7-175.5-179.55.200111.2T103 F104T103-Q137 CarbonylContact C-O 3.58Å; T103-Q137 WeakPolarHBondContact CA-O 3.35Å; T103-Q137 WeakPolarHBondContact CB-O 3.45Å; T103-Q137 HydrophobicContact CG2-CB 4.31Å; F104-Q137 PolarHBondContact N-O 3.09Å
138V96.4Very high96.2Very high86 Ų8669 Ų6952%0.52137%0.368SS..EExtended strand (participates in β ladder)trans-77126173-1800000110.7F104 L140F104-V138 HydrophobicContact CE1-CG2 3.9Å; F104-V138 HydrophobicContact CE2-CG2 4.35Å; F104-V138 HydrophobicContact CZ-CG2 3.75Å; F104-V138 CarbonylContact O-C 3.56Å; F104-V138 WeakPolarHBondContact O-CA 3.36Å; V138-L140 HydrophobicContact CG1-CD2 4.13Å
139S96.9Very high96.3Very high23 Ų2367.2 Ų67.216%0.16136%0.358CS..  trans-128.8115.1173.81760000110.6F104 K105 S142 P143F104-S139 PolarHBondContact O-N 2.85Å; K105-S139 WeakPolarHBondContact CB-O 3.39Å; S139-S142 VanDerWaalsContact OG-C 3.25Å; S139-S142 PolarHBondContact OG-O 3.37Å; S139-P143 WeakPolarHBondContact O-CB 3.33Å
140L94.1Very high96.4Very high141 Ų14161 Ų6174%0.73833%0.325SS*.SBendtrans-84.2-32-175.9-61.8-179000113.7V138V138-L140 HydrophobicContact CG1-CD2 4.13Å
141S94.2Very high96.4Very high107 Ų10760.2 Ų60.275%0.74832%0.319SS*.SBendtrans-83.6-50.3-175.245.80000112.1
142S95.1Very high96.3Very high92 Ų9259.9 Ų59.964%0.64332%0.317SS*.SBendtrans-138.774.2-174.6-59.10000109.9S139S139-S142 VanDerWaalsContact OG-C 3.25Å; S139-S142 PolarHBondContact OG-O 3.37Å
143P96.9Very high96.2Very high30 Ų3053.5 Ų53.520%0.19529%0.289CS..  trans-77.9152172.834.2-38000111.4T103 K105 S139 H145T103-P143 WeakPolarHBondContact OG1-CA 3.49Å; K105-P143 HydrophobicContact CB-CB 4.17Å; K105-P143 HydrophobicContact CB-CG 4.2Å; K105-P143 HydrophobicContact CD-CB 4.47Å; K105-P143 HydrophobicContact CD-CG 3.61Å; K105-P143 HydrophobicContact CG-CB 4.15Å; K105-P143 HydrophobicContact CG-CG 3.73Å; S139-P143 WeakPolarHBondContact O-CB 3.33Å; P143-H145 WeakPolarHBondContact CB-O 3.18Å
144D97.7Very high96.1Very high98 Ų9848.2 Ų48.252%0.52427%0.273SS..SBendtrans-74.9-40.6167.2-55.8-68.6000110.4D102 T103D102-D144 HydrophobicContact CB-CB 3.98Å; T103-D144 WeakPolarHBondContact CB-OD2 3.43Å; T103-D144 PolarHBondContact N-OD2 3.23Å; T103-D144 WeakPolarHBondContact O-CB 3.48Å; T103-D144 PolarHBondContact O-N 2.8Å; T103-D144 PolarHBondContact OG1-N 2.92Å; T103-D144 VanDerWaalsContact OG1-N 3.14Å; T103-D144 PolarHBondContact OG1-OD2 2.95Å
145H97.5Very high95.6Very high32 Ų3248.1 Ų48.115%0.14828%0.275CS..EExtended strand (participates in β ladder)trans-120.9141.1-178.3-56.4-60000112.9Y97 D102 T103 F104 K105 P143Y97-H145 HydrophobicContact CD1-CB 4.5Å; Y97-H145 AromaticContact CD1-CE1 3.75Å; Y97-H145 AromaticContact CD1-CG 3.79Å; Y97-H145 AromaticContact CD1-ND1 3.5Å; D102-H145 IonicContact OD2-CD2 3.66Å; D102-H145 IonicContact OD2-CE1 3.77Å; D102-H145 IonicContact OD2-NE2 3.73Å; D102-H145 PolarHBondContact OD2-NE2 2.89Å; T103-H145 PolarHBondContact O-N 2.86Å; F104-H145 CarbonylContact C-O 3.56Å; F104-H145 WeakPolarHBondContact CA-O 3.31Å; F104-H145 HydrophobicContact CB-CB 4.18Å; K105-H145 PolarHBondContact N-O 3.01Å; P143-H145 WeakPolarHBondContact CB-O 3.18Å
146Q97.8Very high94.8Very high44 Ų4450.3 Ų50.321%0.20628%0.281CS..EExtended strand (participates in β ladder)trans-118.4120.8172.5-172.2-174.2-68.200110.1K105 V107 N148 L177K105-Q146 HydrophobicContact CD-CG 4.39Å; K105-Q146 HydrophobicContact CG-CB 4.31Å; K105-Q146 HydrophobicContact CG-CG 3.88Å; V107-Q146 HydrophobicContact CB-CG 4.44Å; V107-Q146 HydrophobicContact CG2-CG 3.87Å; Q146-N148 WeakPolarHBondContact CG-OD1 3.39Å; Q146-N148 PolarHBondContact NE2-ND2 3.14Å; Q146-N148 PolarHBondContact NE2-OD1 2.99Å; Q146-L177 HydrophobicContact CB-CB 4.03Å; Q146-L177 HydrophobicContact CB-CD2 4.18Å; Q146-L177 HydrophobicContact CG-CB 4.48Å; Q146-L177 WeakPolarHBondContact O-CB 3.46Å; Q146-L177 PolarHBondContact O-N 2.69Å
147I98.3Very high93.6Very high0 Ų057 Ų570%032%0.315CS..EExtended strand (participates in β ladder)trans-104.3142.4172.1-44.4-51.7000108.8W73 L98 K105 I106 V107 Y174 G175 R176W73-I147 HydrophobicContact CE3-CG2 4.23Å; W73-I147 HydrophobicContact CH2-CD1 3.37Å; W73-I147 HydrophobicContact CH2-CG1 4.06Å; W73-I147 HydrophobicContact CH2-CG2 4.13Å; W73-I147 HydrophobicContact CZ2-CD1 4.12Å; W73-I147 HydrophobicContact CZ3-CD1 3.99Å; W73-I147 HydrophobicContact CZ3-CG1 4.24Å; W73-I147 HydrophobicContact CZ3-CG2 3.57Å; L98-I147 HydrophobicContact CD2-CG1 4.02Å; K105-I147 PolarHBondContact O-N 2.76Å; I106-I147 CarbonylContact C-O 3.56Å; I106-I147 WeakPolarHBondContact CA-O 3.35Å; I106-I147 HydrophobicContact CD1-CB 3.61Å; I106-I147 HydrophobicContact CD1-CG1 4.15Å; I106-I147 HydrophobicContact CD1-CG2 4.24Å; V107-I147 PolarHBondContact N-O 3.07Å; I147-Y174 HydrophobicContact CG2-CD2 4.01Å; I147-Y174 HydrophobicContact CG2-CE1 4.5Å; I147-Y174 HydrophobicContact CG2-CE2 3.27Å; I147-G175 WeakPolarHBondContact CG2-O 3.36Å; I147-R176 HydrophobicContact CD1-CB 3.86Å; I147-R176 HydrophobicContact CD1-CG 3.91Å
148N98.4Very high91.8Very high5 Ų556.2 Ų56.23%0.02732%0.315CS..EExtended strand (participates in β ladder)trans-124.6136.9-171.5-77.881.6000111.3F70 V107 Q146 L150 Y174 G175F70-N148 HydrophobicContact CD1-CB 3.61Å; F70-N148 HydrophobicContact CE1-CB 3.51Å; F70-N148 WeakPolarHBondContact CE1-OD1 3.48Å; F70-N148 HydrophobicContact CG-CB 4.5Å; F70-N148 HydrophobicContact CZ-CB 4.3Å; V107-N148 WeakPolarHBondContact O-CA 3.4Å; V107-N148 PolarHBondContact O-ND2 3.45Å; Q146-N148 WeakPolarHBondContact CG-OD1 3.39Å; Q146-N148 PolarHBondContact NE2-ND2 3.14Å; Q146-N148 PolarHBondContact NE2-OD1 2.99Å; N148-L150 HydrophobicContact CB-CD2 4.28Å; N148-Y174 WeakPolarHBondContact O-CA 3.48Å; N148-Y174 WeakPolarHBondContact O-CD2 3.43Å; N148-G175 PolarHBondContact N-O 3.35Å; N148-G175 PolarHBondContact O-N 3.24Å; N148-G175 VanDerWaalsContact O-N 3.09Å
149I98.4Very high89.8Confident1 Ų153.9 Ų53.91%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-109.8119.5167.3-59.9155.1000106.3I106 V107 L108 S109 I124 I127 L151 L173 Y174I106-I149 HydrophobicContact CG2-CD1 3.66Å; I106-I149 HydrophobicContact CG2-CG1 4.31Å; V107-I149 PolarHBondContact O-N 3.01Å; V107-I149 VanDerWaalsContact O-N 3.09Å; L108-I149 WeakPolarHBondContact CA-O 3.46Å; L108-I149 HydrophobicContact CB-CB 4.31Å; L108-I149 HydrophobicContact CD1-CG2 4.3Å; L108-I149 HydrophobicContact CG-CB 4.12Å; L108-I149 HydrophobicContact CG-CG2 4.14Å; S109-I149 PolarHBondContact N-O 3.41Å; I124-I149 HydrophobicContact CG1-CD1 3.9Å; I127-I149 HydrophobicContact CD1-CD1 3.68Å; I127-I149 HydrophobicContact CD1-CG1 3.97Å; I127-I149 HydrophobicContact CD1-CG2 4.02Å; I149-L151 HydrophobicContact CG2-CD2 3.85Å; I149-L151 HydrophobicContact CG2-CG 4.3Å; I149-L173 CarbonylContact C-O 3.55Å; I149-L173 WeakPolarHBondContact CA-O 2.95Å; I149-Y174 HydrophobicContact CG1-CD2 3.63Å; I149-Y174 HydrophobicContact CG1-CE2 4Å
150L97.9Very high87.4Confident4 Ų461.3 Ų61.32%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-111.2117.5-179.6-47.2172.7000108.6V5 F45 F70 S109 N148 L172 L173V5-L150 HydrophobicContact CB-CD1 4.44Å; V5-L150 HydrophobicContact CG1-CD1 3.9Å; F45-L150 HydrophobicContact CD1-CB 4.32Å; F45-L150 HydrophobicContact CD1-CD1 3.88Å; F45-L150 HydrophobicContact CD2-CB 4.44Å; F45-L150 HydrophobicContact CE1-CB 3.93Å; F45-L150 HydrophobicContact CE1-CD1 3.97Å; F45-L150 HydrophobicContact CE1-CD2 4.11Å; F45-L150 HydrophobicContact CE1-CG 4.23Å; F45-L150 HydrophobicContact CE2-CB 4.06Å; F45-L150 HydrophobicContact CZ-CB 3.8Å; F45-L150 HydrophobicContact CZ-CD2 4.47Å; F70-L150 HydrophobicContact CD2-CD1 3.64Å; F70-L150 HydrophobicContact CE2-CD1 3.72Å; F70-L150 HydrophobicContact CE2-CD2 4.04Å; F70-L150 HydrophobicContact CE2-CG 4.47Å; F70-L150 HydrophobicContact CG-CD1 4.35Å; F70-L150 HydrophobicContact CZ-CD2 4.08Å; S109-L150 WeakPolarHBondContact O-CA 3.19Å; N148-L150 HydrophobicContact CB-CD2 4.28Å; L150-L172 WeakPolarHBondContact O-CA 3.48Å; L150-L173 HydrophobicContact CB-CB 4.13Å; L150-L173 HydrophobicContact CD1-CB 4.31Å; L150-L173 HydrophobicContact CD1-CD1 4.43Å; L150-L173 PolarHBondContact N-O 2.91Å; L150-L173 PolarHBondContact O-N 2.79Å
151L97.3Very high85.2Confident0 Ų062.1 Ų62.10%034%0.343CS..EExtended strand (participates in β ladder)trans-104.4117.3179.7-56.2-177.5000109.9L108 S109 S110 A111 L115 I123 I149 Y153 L169 L172L108-L151 HydrophobicContact CD1-CD1 4.13Å; L108-L151 HydrophobicContact CD2-CD1 3.75Å; L108-L151 HydrophobicContact CD2-CG 4.18Å; L108-L151 HydrophobicContact CG-CD1 4.2Å; L108-L151 HydrophobicContact CG-CG 4.44Å; S109-L151 PolarHBondContact O-N 2.76Å; S110-L151 CarbonylContact C-O 3.53Å; S110-L151 VanDerWaalsContact CA-O 3.26Å; S110-L151 WeakPolarHBondContact CA-O 3.42Å; A111-L151 PolarHBondContact N-O 2.8Å; L115-L151 HydrophobicContact CD1-CD1 3.62Å; I123-L151 HydrophobicContact CD1-CD1 4.01Å; I149-L151 HydrophobicContact CG2-CD2 3.85Å; I149-L151 HydrophobicContact CG2-CG 4.3Å; L151-Y153 HydrophobicContact CB-CD2 4.3Å; L151-Y153 HydrophobicContact CB-CE2 3.68Å; L151-Y153 HydrophobicContact CD1-CE2 4.26Å; L151-L169 HydrophobicContact CB-CD1 3.86Å; L151-L169 HydrophobicContact CD2-CD1 4.13Å; L151-L169 HydrophobicContact CG-CD1 4.45Å; L151-L172 HydrophobicContact CD2-CB 4.19Å; L151-L172 HydrophobicContact CD2-CD2 3.63Å; L151-L172 HydrophobicContact CD2-CG 3.66Å
152E95.3Very high83Confident12 Ų1261 Ų616%0.05633%0.331CS..EExtended strand (participates in β ladder)trans-96.2120172.6-160.6177.4165.900109.4R43 P44 F45 C170 R171R43-E152 IonicContact CZ-OE1 3.05Å; R43-E152 IonicContact CZ-OE2 3.54Å; R43-E152 IonicContact NE-OE1 2.72Å; R43-E152 PolarHBondContact NE-OE1 2.95Å; R43-E152 IonicContact NE-OE2 2.92Å; R43-E152 PolarHBondContact NE-OE2 2.93Å; R43-E152 VanDerWaalsContact NH2-CD 3.3Å; R43-E152 IonicContact NH2-OE1 2.62Å; R43-E152 PolarHBondContact NH2-OE1 2.89Å; R43-E152 IonicContact NH2-OE2 3.28Å; R43-E152 PolarHBondContact NH2-OE2 3.02Å; P44-E152 HydrophobicContact CG-CG 3.85Å; F45-E152 HydrophobicContact CD2-CB 3.97Å; F45-E152 HydrophobicContact CD2-CG 4.19Å; F45-E152 HydrophobicContact CE2-CB 4.13Å; E152-C170 PolarHBondContact O-N 3.43Å; E152-C170 PolarHBondContact O-SG 3.22Å; E152-R171 HydrophobicContact CB-CB 3.75Å; E152-R171 PolarHBondContact N-O 3.1Å; E152-R171 PolarHBondContact O-N 3.4Å; E152-R171 WeakPolarHBondContact OE2-CD 3.26Å
153Y93.7Very high80.8Confident15 Ų1562.6 Ų62.66%0.05934%0.337CS..EExtended strand (participates in β ladder)trans-105.3148.6170.8-67.8-96.5000109.5A111 H112 K113 L115 L151 G167 H168 L169A111-Y153 PolarHBondContact O-N 2.92Å; H112-Y153 WeakPolarHBondContact CB-O 3.07Å; H112-Y153 PolarHBondContact CD2-O 2.76Å; K113-Y153 HydrophobicContact CB-CD1 4.06Å; K113-Y153 HydrophobicContact CB-CD2 3.58Å; K113-Y153 HydrophobicContact CB-CE1 4.49Å; K113-Y153 HydrophobicContact CB-CE2 4.05Å; K113-Y153 HydrophobicContact CB-CG 3.58Å; K113-Y153 HydrophobicContact CD-CD1 3.59Å; K113-Y153 HydrophobicContact CD-CD2 4.23Å; K113-Y153 HydrophobicContact CD-CE1 3.38Å; K113-Y153 HydrophobicContact CD-CE2 4.05Å; K113-Y153 HydrophobicContact CD-CG 4Å; K113-Y153 HydrophobicContact CG-CD1 4.46Å; K113-Y153 HydrophobicContact CG-CG 4.44Å; L115-Y153 HydrophobicContact CD1-CE2 4.25Å; L151-Y153 HydrophobicContact CB-CD2 4.3Å; L151-Y153 HydrophobicContact CB-CE2 3.68Å; L151-Y153 HydrophobicContact CD1-CE2 4.26Å; Y153-G167 WeakPolarHBondContact CD1-O 3.19Å; Y153-H168 CarbonylContact C-O 3.57Å; Y153-H168 VanDerWaalsContact CA-O 3.28Å; Y153-H168 WeakPolarHBondContact CA-O 3.1Å; Y153-L169 HydrophobicContact CD1-CB 4.09Å; Y153-L169 HydrophobicContact CD1-CD1 4.41Å; Y153-L169 HydrophobicContact CD2-CD1 4.29Å; Y153-L169 HydrophobicContact CE1-CB 3.76Å; Y153-L169 HydrophobicContact CE1-CD1 4.06Å; Y153-L169 HydrophobicContact CE1-CG 4.49Å; Y153-L169 HydrophobicContact CE2-CD1 3.92Å
154T90.9Very high78.6Confident28 Ų2866.7 Ų66.717%0.17237%0.366CS..  trans-64141.7171.249.90000111.2K156 G167 H168 C170T154-K156 PolarHBondContact O-N 3.47Å; T154-G167 VanDerWaalsContact O-CA 3.28Å; T154-G167 WeakPolarHBondContact O-CA 3.23Å; T154-G167 PolarHBondContact O-N 3.16Å; T154-G167 PolarHBondContact OG1-N 3.24Å; T154-H168 VanDerWaalsContact CG2-CE1 3.45Å; T154-H168 WeakPolarHBondContact CG2-CE1 3.36Å; T154-H168 WeakPolarHBondContact CG2-NE2 3.44Å; T154-H168 PolarHBondContact N-O 3.32Å; T154-H168 PolarHBondContact OG1-CE1 3.04Å; T154-H168 PolarHBondContact OG1-N 3.43Å; T154-H168 PolarHBondContact OG1-ND1 3.28Å; T154-H168 PolarHBondContact OG1-NE2 2.64Å; T154-H168 PolarHBondContact OG1-O 3.31Å; T154-C170 HydrophobicContact CG2-CB 3.93Å
155P84.8Confident76.6Confident52 Ų5266.6 Ų66.634%0.33837%0.373SS..  trans-61.4134177.2-2030.4000111.6N157 L158P155-N157 VanDerWaalsContact C-N 3.26Å; P155-N157 PolarHBondContact O-N 3.18Å; P155-L158 HydrophobicContact CB-CD1 3.85Å; P155-L158 HydrophobicContact CG-CD1 3.88Å
156K77.6Confident75.3Confident137 Ų13766.4 Ų66.460%0.59638%0.38SS*.THydrogen-bonded Turntrans-66.2-24.6179.4-66.4-172.8178-172.40114.3T154T154-K156 PolarHBondContact O-N 3.47Å
157N69.9Low74.7Confident150 Ų15065.1 Ų65.180%0.80238%0.379SS*.THydrogen-bonded Turntrans-113.654.2-171.5-66.2-28.1000112.2P155 G159P155-N157 VanDerWaalsContact C-N 3.26Å; P155-N157 PolarHBondContact O-N 3.18Å; N157-G159 PolarHBondContact O-N 3.18Å
158L59.4Low74.4Confident124 Ų12470.2 Ų70.265%0.64940%0.402SS*.SBendtrans-74.360.7170-117.385.9000110.7P155 T162P155-L158 HydrophobicContact CB-CD1 3.85Å; P155-L158 HydrophobicContact CG-CD1 3.88Å; L158-T162 PolarHBondContact O-OG1 3.37Å
159G53.3Low74.2Confident37 Ų3772.7 Ų72.738%0.38142%0.415SS..  trans81.2147.3-177.300000113.9N157 N161 T162N157-G159 PolarHBondContact O-N 3.18Å; G159-N161 PolarHBondContact O-N 3.45Å; G159-N161 VanDerWaalsContact O-N 3.16Å; G159-T162 PolarHBondContact O-OG1 3.42Å
160K46.3Very low74Confident178 Ų17874.5 Ų74.577%0.77443%0.428SS*.THydrogen-bonded Turntrans-69.1-7.2-177.8-76.6-174.8176.6-177.90114.8
161N47.6Very low73.9Confident159 Ų15975.9 Ų75.985%0.8543%0.432SS*.THydrogen-bonded Turntrans-105.10.6-174.3-74.95.8000114.1G159G159-N161 PolarHBondContact O-N 3.45Å; G159-N161 VanDerWaalsContact O-N 3.16Å
162T49.2Very low74Confident83 Ų8375.9 Ų75.951%0.50943%0.433SS..SBendtrans-98.2115.5169.452.90000108.9L158 G159 S164L158-T162 PolarHBondContact O-OG1 3.37Å; G159-T162 PolarHBondContact O-OG1 3.42Å; T162-S164 PolarHBondContact O-N 2.64Å
163V48.6Very low74.1Confident126 Ų12675.4 Ų75.476%0.76443%0.43SS*.  trans-52.9101173.7179.50000109S165V163-S165 PolarHBondContact O-N 2.87Å; V163-S165 PolarHBondContact O-OG 3.4Å
164S51.6Low74.3Confident116 Ų11674.8 Ų74.881%0.81143%0.428SS*.SBendtrans39.523.6157.2-51.60000120.6T162 G166T162-S164 PolarHBondContact O-N 2.64Å; S164-G166 PolarHBondContact O-N 3.44Å
165S55Low74.7Confident95 Ų9573.6 Ų73.666%0.66442%0.421SS*.  trans-88.85.6-169.6-53.70000115.2V163 H168V163-S165 PolarHBondContact O-N 2.87Å; V163-S165 PolarHBondContact O-OG 3.4Å; S165-H168 PolarHBondContact O-ND1 3.04Å; S165-H168 VanDerWaalsContact O-ND1 3.13Å
166G70.8Confident75.3Confident28 Ų2872.5 Ų72.529%0.28941%0.41SS..  trans-91.6168.2-179.500000114.1S164S164-G166 PolarHBondContact O-N 3.44Å
167G83.9Confident76.3Confident18 Ų1868.2 Ų68.219%0.18639%0.393CS..  trans9012176.200000114.9Y153 T154Y153-G167 WeakPolarHBondContact CD1-O 3.19Å; T154-G167 VanDerWaalsContact O-CA 3.28Å; T154-G167 WeakPolarHBondContact O-CA 3.23Å; T154-G167 PolarHBondContact O-N 3.16Å; T154-G167 PolarHBondContact OG1-N 3.24Å
168H91.5Very high77.6Confident106 Ų10662.1 Ų62.149%0.49136%0.36SS..  trans-80.2146.5168.257.6-96000110.1Y153 T154 S165 C170Y153-H168 CarbonylContact C-O 3.57Å; Y153-H168 VanDerWaalsContact CA-O 3.28Å; Y153-H168 WeakPolarHBondContact CA-O 3.1Å; T154-H168 VanDerWaalsContact CG2-CE1 3.45Å; T154-H168 WeakPolarHBondContact CG2-CE1 3.36Å; T154-H168 WeakPolarHBondContact CG2-NE2 3.44Å; T154-H168 PolarHBondContact N-O 3.32Å; T154-H168 PolarHBondContact OG1-CE1 3.04Å; T154-H168 PolarHBondContact OG1-N 3.43Å; T154-H168 PolarHBondContact OG1-ND1 3.28Å; T154-H168 PolarHBondContact OG1-NE2 2.64Å; T154-H168 PolarHBondContact OG1-O 3.31Å; S165-H168 PolarHBondContact O-ND1 3.04Å; S165-H168 VanDerWaalsContact O-ND1 3.13Å; H168-C170 PolarHBondContact O-N 2.92Å
169L94.2Very high79.3Confident57 Ų5756.8 Ų56.830%0.29834%0.336SS..EExtended strand (participates in β ladder)trans-65.9125.5172.4-175.965.1000107.7L151 Y153 L172L151-L169 HydrophobicContact CB-CD1 3.86Å; L151-L169 HydrophobicContact CD2-CD1 4.13Å; L151-L169 HydrophobicContact CG-CD1 4.45Å; Y153-L169 HydrophobicContact CD1-CB 4.09Å; Y153-L169 HydrophobicContact CD1-CD1 4.41Å; Y153-L169 HydrophobicContact CD2-CD1 4.29Å; Y153-L169 HydrophobicContact CE1-CB 3.76Å; Y153-L169 HydrophobicContact CE1-CD1 4.06Å; Y153-L169 HydrophobicContact CE1-CG 4.49Å; Y153-L169 HydrophobicContact CE2-CD1 3.92Å; L169-L172 HydrophobicContact CD1-CD1 4.38Å; L169-L172 HydrophobicContact CD1-CG 4.29Å; L169-L172 HydrophobicContact CD2-CD1 3.6Å; L169-L172 HydrophobicContact CD2-CD2 4.04Å; L169-L172 HydrophobicContact CD2-CG 3.89Å; L169-L172 HydrophobicContact CG-CD1 3.9Å; L169-L172 HydrophobicContact CG-CG 4.3Å
170C94.3Very high81.1Confident40 Ų4057.6 Ų57.627%0.2734%0.344SS..EExtended strand (participates in β ladder)trans-121-14.2-178.560.60000113.6E152 T154 H168E152-C170 PolarHBondContact O-N 3.43Å; E152-C170 PolarHBondContact O-SG 3.22Å; T154-C170 HydrophobicContact CG2-CB 3.93Å; H168-C170 PolarHBondContact O-N 2.92Å
171R97Very high83.1Confident32 Ų3250 Ų5012%0.12131%0.313CS..EExtended strand (participates in β ladder)trans-156.3142.8174.6-153.5-173.1-166.6167.91.7111.5D75 A76 E152 L173D75-R171 WeakPolarHBondContact OD1-CG 3.21Å; D75-R171 IonicContact OD1-CZ 3.64Å; D75-R171 IonicContact OD1-NE 2.8Å; D75-R171 PolarHBondContact OD1-NE 2.85Å; D75-R171 IonicContact OD1-NH2 3.63Å; D75-R171 IonicContact OD2-CZ 3.44Å; D75-R171 IonicContact OD2-NE 3.41Å; D75-R171 PolarHBondContact OD2-NE 2.62Å; D75-R171 IonicContact OD2-NH2 2.67Å; D75-R171 PolarHBondContact OD2-NH2 2.8Å; A76-R171 CarbonylContact O-C 3.58Å; A76-R171 WeakPolarHBondContact O-CA 3.38Å; E152-R171 HydrophobicContact CB-CB 3.75Å; E152-R171 PolarHBondContact N-O 3.1Å; E152-R171 PolarHBondContact O-N 3.4Å; E152-R171 WeakPolarHBondContact OE2-CD 3.26Å; R171-L173 HydrophobicContact CG-CG 4.39Å
172L98.1Very high84.8Confident1 Ų145 Ų451%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-123.3128.5168.3-57.286.2000108.1A76 A77 T78 L79 L82 L150 L151 L169A76-L172 PolarHBondContact N-O 3.4Å; A76-L172 PolarHBondContact O-N 3.21Å; A77-L172 WeakPolarHBondContact O-CD1 3.15Å; T78-L172 VanDerWaalsContact C-CD1 3.49Å; L79-L172 HydrophobicContact CB-CD2 4.24Å; L79-L172 HydrophobicContact CD1-CD2 4.07Å; L82-L172 HydrophobicContact CD1-CB 4.3Å; L82-L172 HydrophobicContact CD2-CB 4.04Å; L82-L172 HydrophobicContact CD2-CD2 3.96Å; L150-L172 WeakPolarHBondContact O-CA 3.48Å; L151-L172 HydrophobicContact CD2-CB 4.19Å; L151-L172 HydrophobicContact CD2-CD2 3.63Å; L151-L172 HydrophobicContact CD2-CG 3.66Å; L169-L172 HydrophobicContact CD1-CD1 4.38Å; L169-L172 HydrophobicContact CD1-CG 4.29Å; L169-L172 HydrophobicContact CD2-CD1 3.6Å; L169-L172 HydrophobicContact CD2-CD2 4.04Å; L169-L172 HydrophobicContact CD2-CG 3.89Å; L169-L172 HydrophobicContact CG-CD1 3.9Å; L169-L172 HydrophobicContact CG-CG 4.3Å
173L98.6Very high86.7Confident2 Ų243.1 Ų43.11%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-119.6135.8174-58157.9000108.5V5 F45 V47 L72 C74 D75 I149 L150 R171V5-L173 HydrophobicContact CG1-CD1 3.81Å; V5-L173 HydrophobicContact CG2-CB 4.43Å; V5-L173 HydrophobicContact CG2-CD1 4.1Å; V5-L173 HydrophobicContact CG2-CD2 4.24Å; F45-L173 HydrophobicContact CB-CD1 3.57Å; F45-L173 HydrophobicContact CD2-CD1 4.27Å; F45-L173 HydrophobicContact CG-CD1 4Å; V47-L173 HydrophobicContact CG2-CD2 4.22Å; L72-L173 HydrophobicContact CD1-CB 4.12Å; L72-L173 HydrophobicContact CD1-CD2 3.76Å; L72-L173 HydrophobicContact CD2-CD2 4.36Å; C74-L173 WeakPolarHBondContact O-CA 3.32Å; D75-L173 HydrophobicContact CB-CD2 3.79Å; D75-L173 VanDerWaalsContact CG-CD2 3.44Å; D75-L173 WeakPolarHBondContact OD1-CD2 3.38Å; I149-L173 CarbonylContact C-O 3.55Å; I149-L173 WeakPolarHBondContact CA-O 2.95Å; L150-L173 HydrophobicContact CB-CB 4.13Å; L150-L173 HydrophobicContact CD1-CB 4.31Å; L150-L173 HydrophobicContact CD1-CD1 4.43Å; L150-L173 PolarHBondContact N-O 2.91Å; L150-L173 PolarHBondContact O-N 2.79Å; R171-L173 HydrophobicContact CG-CG 4.39Å
174Y98.6Very high88.5Confident2 Ų245.1 Ų45.11%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-127.7133.9179.1-179-122000109.9W73 C74 V86 L89 I127 H131 I147 N148 I149W73-Y174 HydrophobicContact CB-CD1 4.44Å; W73-Y174 WeakPolarHBondContact CB-O 3.44Å; W73-Y174 AromaticContact CE3-CD1 3.79Å; W73-Y174 HydrophobicContact CE3-CD1 3.79Å; W73-Y174 AromaticContact CE3-CE1 3.44Å; W73-Y174 HydrophobicContact CE3-CE1 3.44Å; W73-Y174 VanDerWaalsContact CE3-CE1 3.44Å; W73-Y174 AromaticContact CE3-CZ 3.97Å; W73-Y174 AromaticContact CZ3-CE1 3.82Å; W73-Y174 HydrophobicContact CZ3-CE1 3.82Å; W73-Y174 AromaticContact CZ3-CZ 3.91Å; W73-Y174 PolarHBondContact N-O 2.95Å; C74-Y174 PolarHBondContact N-O 3.25Å; C74-Y174 VanDerWaalsContact N-O 3.12Å; C74-Y174 PolarHBondContact O-N 3.34Å; V86-Y174 HydrophobicContact CG2-CD1 3.87Å; V86-Y174 HydrophobicContact CG2-CE1 4.1Å; L89-Y174 HydrophobicContact CD1-CE1 4.43Å; I127-Y174 HydrophobicContact CG2-CD2 4.29Å; I127-Y174 HydrophobicContact CG2-CE1 4.38Å; I127-Y174 HydrophobicContact CG2-CE2 4.01Å; H131-Y174 AromaticContact CE1-CE1 3.93Å; H131-Y174 AromaticContact NE2-CE1 3.5Å; H131-Y174 AromaticContact NE2-CZ 3.6Å; H131-Y174 PolarHBondContact NE2-OH 3Å; I147-Y174 HydrophobicContact CG2-CD2 4.01Å; I147-Y174 HydrophobicContact CG2-CE1 4.5Å; I147-Y174 HydrophobicContact CG2-CE2 3.27Å; N148-Y174 WeakPolarHBondContact O-CA 3.48Å; N148-Y174 WeakPolarHBondContact O-CD2 3.43Å; I149-Y174 HydrophobicContact CG1-CD2 3.63Å; I149-Y174 HydrophobicContact CG1-CE2 4Å
175G98.3Very high90.3Very high2 Ų244.3 Ų44.32%0.02125%0.249CC..EExtended strand (participates in β ladder)trans176.5172.3-175.500000115H71 I147 N148H71-G175 CarbonylContact O-C 3.54Å; H71-G175 WeakPolarHBondContact O-CA 3.28Å; I147-G175 WeakPolarHBondContact CG2-O 3.36Å; N148-G175 PolarHBondContact N-O 3.35Å; N148-G175 PolarHBondContact O-N 3.24Å; N148-G175 VanDerWaalsContact O-N 3.09Å
176R97.9Very high91.9Very high30 Ų3040.1 Ų40.111%0.11322%0.219CC..EExtended strand (participates in β ladder)trans-88.5138.3-178.5-179.1-178.563.991.8-3111.9D53 F70 H71 W73 Y97 I147 I178D53-R176 IonicContact OD2-CZ 3.37Å; D53-R176 IonicContact OD2-NH2 3.48Å; D53-R176 PolarHBondContact OD2-NH2 3.02Å; F70-R176 CarbonylContact C-O 3.01Å; F70-R176 WeakPolarHBondContact CA-O 3.07Å; F70-R176 WeakPolarHBondContact CB-O 3.44Å; H71-R176 PolarHBondContact N-O 3.29Å; H71-R176 PolarHBondContact O-N 3.39Å; W73-R176 HydrophobicContact CH2-CB 4.29Å; W73-R176 HydrophobicContact CZ2-CB 3.69Å; Y97-R176 VanDerWaalsContact CD1-CD 3.43Å; Y97-R176 VanDerWaalsContact CZ-CD 3.45Å; Y97-R176 PolarHBondContact OH-NE 3.4Å; Y97-R176 PolarHBondContact OH-NH2 2.89Å; I147-R176 HydrophobicContact CD1-CB 3.86Å; I147-R176 HydrophobicContact CD1-CG 3.91Å; R176-I178 PolarHBondContact O-N 2.57Å
177L98.2Very high92.7Very high46 Ų4641 Ų4124%0.24122%0.216CC..EExtended strand (participates in β ladder)trans-61.2126.6170.5-178.471.7000111.1F70 Q146F70-L177 HydrophobicContact CD1-CB 4.2Å; F70-L177 HydrophobicContact CD1-CD1 4Å; F70-L177 HydrophobicContact CE1-CB 4.26Å; F70-L177 HydrophobicContact CE1-CD1 3.5Å; F70-L177 HydrophobicContact CZ-CD1 4.2Å; Q146-L177 HydrophobicContact CB-CB 4.03Å; Q146-L177 HydrophobicContact CB-CD2 4.18Å; Q146-L177 HydrophobicContact CG-CB 4.48Å; Q146-L177 WeakPolarHBondContact O-CB 3.46Å; Q146-L177 PolarHBondContact O-N 2.69Å
178I97.3Very high93.1Very high22 Ų2243.6 Ų43.611%0.11323%0.225CC..EExtended strand (participates in β ladder)trans-89.5-46.7168.6-62.9-52.6000110.3Y4 D53 V56 L57 A69 H71 R176Y4-I178 HydrophobicContact CD1-CG1 4.07Å; Y4-I178 HydrophobicContact CE1-CD1 4.23Å; Y4-I178 HydrophobicContact CE1-CG1 4.01Å; D53-I178 HydrophobicContact CB-CD1 4.2Å; D53-I178 HydrophobicContact CB-CG2 4.49Å; V56-I178 HydrophobicContact CB-CG2 4.35Å; V56-I178 HydrophobicContact CG1-CB 4.31Å; V56-I178 HydrophobicContact CG1-CG1 4.49Å; V56-I178 HydrophobicContact CG1-CG2 3.86Å; L57-I178 HydrophobicContact CD1-CG2 4.41Å; L57-I178 HydrophobicContact CD2-CG2 3.73Å; L57-I178 HydrophobicContact CG-CG2 3.65Å; A69-I178 PolarHBondContact O-N 2.84Å; H71-I178 HydrophobicContact CB-CD1 3.87Å; H71-I178 HydrophobicContact CB-CG1 4.24Å; R176-I178 PolarHBondContact O-N 2.57Å
179G95Very high93.2Very high13 Ų1343 Ų4313%0.13423%0.226CC..EExtended strand (participates in β ladder)trans-179.5163-179.300000113.2S68 A69S68-G179 CarbonylContact C-O 3.44Å; S68-G179 WeakPolarHBondContact CA-O 3.3Å; S68-G179 WeakPolarHBondContact CB-O 3.31Å; A69-G179 PolarHBondContact N-O 2.6Å
180G92Very high93.2Very high53 Ų5341.7 Ų41.755%0.54622%0.217SC..EExtended strand (participates in β ladder)trans-102.9150.7168.600000110.7I60 K67I60-G180 WeakPolarHBondContact CG2-O 3.36Å; K67-G180 WeakPolarHBondContact O-CA 3.39Å
181S86.8Confident93.1Very high18 Ų1845.1 Ų45.113%0.12623%0.225CC..  trans-80.7161.2178.269.60000112.9I60 S63 I66 K67 R183I60-S181 VanDerWaalsContact O-CA 3.29Å; I60-S181 WeakPolarHBondContact O-CA 3.49Å; I60-S181 WeakPolarHBondContact O-CB 3.16Å; S63-S181 WeakPolarHBondContact O-CB 3.39Å; I66-S181 WeakPolarHBondContact O-CB 3.35Å; I66-S181 PolarHBondContact O-OG 2.98Å; K67-S181 PolarHBondContact O-N 3.14Å; S181-R183 PolarHBondContact O-N 2.66Å; S181-R183 VanDerWaalsContact O-N 3.12Å; S181-R183 WeakPolarHBondContact OG-CB 3.48Å; S181-R183 PolarHBondContact OG-N 2.77Å
182I84.3Confident92.9Very high54 Ų5445.8 Ų45.828%0.27723%0.23SC..THydrogen-bonded Turntrans-70.6-1.6174.172.3164000113.1K61 R184 I185 M186 W240K61-I182 WeakPolarHBondContact O-CG1 3.12Å; K61-I182 VanDerWaalsContact O-CG2 3.31Å; K61-I182 WeakPolarHBondContact O-CG2 3.49Å; I182-R184 PolarHBondContact O-N 3.14Å; I182-I185 WeakPolarHBondContact O-CA 3.2Å; I182-I185 WeakPolarHBondContact O-CB 3.36Å; I182-I185 PolarHBondContact O-N 3.08Å; I182-M186 PolarHBondContact O-N 3.29Å; I182-W240 HydrophobicContact CD1-CH2 3.22Å; I182-W240 HydrophobicContact CD1-CZ2 4.32Å; I182-W240 HydrophobicContact CD1-CZ3 3.53Å; I182-W240 HydrophobicContact CG1-CH2 3.99Å
183R88.2Confident92.5Very high45 Ų4550.1 Ų50.117%0.1726%0.26CS..Hα-helixtrans-44-45.3-178.5178.2-172.5175.9-78.64.6112.8E12 V64 S181 M187E12-R183 IonicContact OE2-CZ 2.66Å; E12-R183 IonicContact OE2-NE 3.64Å; E12-R183 IonicContact OE2-NH2 3.94Å; E12-R183 PolarHBondContact OE2-NH2 3.39Å; V64-R183 WeakPolarHBondContact O-CD 3.37Å; V64-R183 VanDerWaalsContact O-CG 3.23Å; V64-R183 WeakPolarHBondContact O-CG 3.46Å; V64-R183 PolarHBondContact O-NE 2.87Å; S181-R183 PolarHBondContact O-N 2.66Å; S181-R183 VanDerWaalsContact O-N 3.12Å; S181-R183 WeakPolarHBondContact OG-CB 3.48Å; S181-R183 PolarHBondContact OG-N 2.77Å; R183-M187 HydrophobicContact CG-CE 4.11Å; R183-M187 HydrophobicContact CG-CG 4.46Å; R183-M187 HydrophobicContact CG-SD 3.93Å; R183-M187 PolarHBondContact NH1-SD 2.79Å; R183-M187 VanDerWaalsContact NH2-CE 3.25Å; R183-M187 WeakPolarHBondContact O-CB 3.41Å; R183-M187 WeakPolarHBondContact O-CG 3.24Å; R183-M187 PolarHBondContact O-N 3.37Å
184R87.8Confident92Very high167 Ų16755.6 Ų55.663%0.6329%0.286SS*.Hα-helixtrans-64.5-41.5-179.5-72.8-176.7179.4177.8-1.7112.3I182 N188I182-R184 PolarHBondContact O-N 3.14Å; R184-N188 WeakPolarHBondContact O-CB 3.21Å; R184-N188 PolarHBondContact O-N 2.93Å; R184-N188 VanDerWaalsContact O-N 3.1Å; R184-N188 PolarHBondContact O-ND2 3.44Å; R184-N188 PolarHBondContact O-OD1 3.46Å
185I88.7Confident91.7Very high99 Ų9955.7 Ų55.751%0.50829%0.286SS..Hα-helixtrans-66.5-50.6177.9-60.9173.1000108.7I182 M187 N188 D189I182-I185 WeakPolarHBondContact O-CA 3.2Å; I182-I185 WeakPolarHBondContact O-CB 3.36Å; I182-I185 PolarHBondContact O-N 3.08Å; I185-M187 VanDerWaalsContact C-N 3.3Å; I185-M187 PolarHBondContact O-N 2.96Å; I185-N188 PolarHBondContact O-N 3.49Å; I185-D189 WeakPolarHBondContact CG2-OD2 3.33Å; I185-D189 PolarHBondContact O-N 3.35Å
186M88.3Confident91.4Very high8 Ų856.8 Ų56.84%0.03930%0.295CS..Hα-helixtrans-55.1-43.7176.7-173.167.9-176.400112.6V64 I182 N188 Y190 V205 A209 V239V64-M186 HydrophobicContact CG1-CG 4.36Å; I182-M186 PolarHBondContact O-N 3.29Å; M186-N188 VanDerWaalsContact C-N 3.28Å; M186-N188 PolarHBondContact O-N 2.92Å; M186-Y190 HydrophobicContact CE-CD2 3.98Å; M186-Y190 HydrophobicContact CE-CE2 4.32Å; M186-Y190 HydrophobicContact CE-CG 4.31Å; M186-Y190 HydrophobicContact CG-CD2 4.38Å; M186-Y190 WeakPolarHBondContact O-CB 3.49Å; M186-Y190 WeakPolarHBondContact O-CD2 3.22Å; M186-Y190 PolarHBondContact O-N 2.92Å; M186-Y190 HydrophobicContact SD-CD2 3.43Å; M186-Y190 WeakPolarHBondContact SD-CD2 3.21Å; M186-Y190 HydrophobicContact SD-CE2 3.57Å; M186-Y190 VanDerWaalsContact SD-CE2 3.57Å; M186-Y190 HydrophobicContact SD-CG 4.32Å; M186-V205 HydrophobicContact CE-CG1 4.24Å; M186-V205 HydrophobicContact CG-CG1 4.43Å; M186-A209 HydrophobicContact CE-CB 4.16Å; M186-V239 HydrophobicContact CE-CB 4.26Å; M186-V239 HydrophobicContact CE-CG1 4.33Å; M186-V239 HydrophobicContact CE-CG2 3.85Å; M186-V239 HydrophobicContact SD-CB 4.47Å; M186-V239 HydrophobicContact SD-CG1 3.9Å; M186-V239 HydrophobicContact SD-CG2 4.26Å
187M88.2Confident91Very high45 Ų4555.4 Ų55.422%0.22229%0.29CS..Hα-helixtrans-69-26.6177.4-75.4179.9161.300113.6R183 I185 R191 T206R183-M187 HydrophobicContact CG-CE 4.11Å; R183-M187 HydrophobicContact CG-CG 4.46Å; R183-M187 HydrophobicContact CG-SD 3.93Å; R183-M187 PolarHBondContact NH1-SD 2.79Å; R183-M187 VanDerWaalsContact NH2-CE 3.25Å; R183-M187 WeakPolarHBondContact O-CB 3.41Å; R183-M187 WeakPolarHBondContact O-CG 3.24Å; R183-M187 PolarHBondContact O-N 3.37Å; I185-M187 VanDerWaalsContact C-N 3.3Å; I185-M187 PolarHBondContact O-N 2.96Å; M187-R191 WeakPolarHBondContact O-CG 3.17Å; M187-T206 HydrophobicContact CE-CG2 4.02Å; M187-T206 WeakPolarHBondContact CE-OG1 3.45Å
188N91.4Very high90.7Very high73 Ų7354.4 Ų54.439%0.3929%0.285SS..Hα-helixtrans-85.5-45.3-178.4-72.9-12000112R184 I185 M186 Y190 R191R184-N188 WeakPolarHBondContact O-CB 3.21Å; R184-N188 PolarHBondContact O-N 2.93Å; R184-N188 VanDerWaalsContact O-N 3.1Å; R184-N188 PolarHBondContact O-ND2 3.44Å; R184-N188 PolarHBondContact O-OD1 3.46Å; I185-N188 PolarHBondContact O-N 3.49Å; M186-N188 VanDerWaalsContact C-N 3.28Å; M186-N188 PolarHBondContact O-N 2.92Å; N188-Y190 VanDerWaalsContact C-N 3.33Å; N188-Y190 PolarHBondContact O-N 2.92Å; N188-R191 WeakPolarHBondContact O-CD 3.18Å; N188-R191 VanDerWaalsContact O-CG 3.26Å; N188-R191 WeakPolarHBondContact O-CG 3.29Å; N188-R191 PolarHBondContact OD1-NH2 2.92Å
189D93.4Very high90.1Very high94 Ų9454 Ų5450%0.50329%0.285SS..Hα-helixtrans-77.5-24.7-172.2-63.4-1.2000111.8I185 Y280I185-D189 WeakPolarHBondContact CG2-OD2 3.33Å; I185-D189 PolarHBondContact O-N 3.35Å; D189-Y280 WeakPolarHBondContact O-CE1 3.48Å
190Y94.4Very high89.5Confident30 Ų3060.2 Ų60.212%0.11832%0.316CS..THydrogen-bonded Turntrans-11222.8-177.6-59.3-85.9000113.1M186 N188 L192 V205 I235 V239 Y280 L282M186-Y190 HydrophobicContact CE-CD2 3.98Å; M186-Y190 HydrophobicContact CE-CE2 4.32Å; M186-Y190 HydrophobicContact CE-CG 4.31Å; M186-Y190 HydrophobicContact CG-CD2 4.38Å; M186-Y190 WeakPolarHBondContact O-CB 3.49Å; M186-Y190 WeakPolarHBondContact O-CD2 3.22Å; M186-Y190 PolarHBondContact O-N 2.92Å; M186-Y190 HydrophobicContact SD-CD2 3.43Å; M186-Y190 WeakPolarHBondContact SD-CD2 3.21Å; M186-Y190 HydrophobicContact SD-CE2 3.57Å; M186-Y190 VanDerWaalsContact SD-CE2 3.57Å; M186-Y190 HydrophobicContact SD-CG 4.32Å; N188-Y190 VanDerWaalsContact C-N 3.33Å; N188-Y190 PolarHBondContact O-N 2.92Å; Y190-L192 PolarHBondContact O-N 3.32Å; Y190-V205 WeakPolarHBondContact O-CG2 3.21Å; Y190-I235 HydrophobicContact CD1-CG2 4.27Å; Y190-I235 HydrophobicContact CE1-CG2 4.41Å; Y190-V239 HydrophobicContact CD1-CG2 4.31Å; Y190-V239 HydrophobicContact CE1-CG2 3.55Å; Y190-V239 HydrophobicContact CE2-CG1 4.31Å; Y190-V239 HydrophobicContact CE2-CG2 3.86Å; Y190-V239 WeakPolarHBondContact OH-CG2 3.02Å; Y190-Y280 AromaticContact CD1-CD1 3.64Å; Y190-Y280 HydrophobicContact CD1-CD1 3.64Å; Y190-Y280 AromaticContact CD1-CD2 3.92Å; Y190-Y280 HydrophobicContact CD1-CD2 3.92Å; Y190-Y280 AromaticContact CD1-CE1 3.75Å; Y190-Y280 HydrophobicContact CD1-CE1 3.75Å; Y190-Y280 HydrophobicContact CD1-CE2 4.01Å; Y190-Y280 AromaticContact CD1-CG 3.74Å; Y190-Y280 HydrophobicContact CD1-CG 3.74Å; Y190-Y280 AromaticContact CD1-CZ 3.93Å; Y190-Y280 AromaticContact CE1-CD1 3.7Å; Y190-Y280 HydrophobicContact CE1-CD1 3.7Å; Y190-Y280 HydrophobicContact CE1-CD2 4Å; Y190-Y280 HydrophobicContact CE1-CE1 4.3Å; Y190-Y280 AromaticContact CE1-CG 3.55Å; Y190-Y280 HydrophobicContact CE1-CG 3.55Å; Y190-Y280 HydrophobicContact CG-CE1 4.46Å; Y190-L282 HydrophobicContact CE1-CD1 4.34Å
191R92.8Very high89.1Confident112 Ų11260.2 Ų60.242%0.42331%0.305SS..  trans-51.4127.9178-74.8173.8-171.2-123.2-0.2111M187 N188 S193 E194 R195M187-R191 WeakPolarHBondContact O-CG 3.17Å; N188-R191 WeakPolarHBondContact O-CD 3.18Å; N188-R191 VanDerWaalsContact O-CG 3.26Å; N188-R191 WeakPolarHBondContact O-CG 3.29Å; N188-R191 PolarHBondContact OD1-NH2 2.92Å; R191-S193 PolarHBondContact O-N 3.18Å; R191-E194 PolarHBondContact O-N 3.35Å; R191-E194 VanDerWaalsContact O-N 3.15Å; R191-R195 PolarHBondContact O-N 3.24Å
192L91.9Very high89.2Confident46 Ų4660.1 Ų60.124%0.24130%0.304CS..G310 helixtrans-64.7-28.6-179.6-61.7-175000113.1Y190 E194 R195 L198 T202 V205Y190-L192 PolarHBondContact O-N 3.32Å; L192-E194 PolarHBondContact O-N 3.37Å; L192-R195 VanDerWaalsContact CD2-NH1 3.32Å; L192-R195 PolarHBondContact O-N 2.98Å; L192-L198 HydrophobicContact CB-CD1 4.14Å; L192-L198 HydrophobicContact CD2-CD1 4.39Å; L192-T202 HydrophobicContact CD1-CG2 4.08Å; L192-T202 HydrophobicContact CD2-CG2 3.81Å; L192-V205 HydrophobicContact CD2-CG2 3.71Å; L192-V205 HydrophobicContact CG-CG2 3.84Å
193S89.5Confident89.6Confident91 Ų9158.1 Ų58.164%0.63629%0.294SS*.G310 helixtrans-61.8-26.117750.60000113.1R191R191-S193 PolarHBondContact O-N 3.18Å
194E89.9Confident89.8Confident117 Ų11759.3 Ų59.355%0.54730%0.303SS..G310 helixtrans-104.3-6.5-176.4-65.9170.1-157.100112.1R191 L192 Q279R191-E194 PolarHBondContact O-N 3.35Å; R191-E194 VanDerWaalsContact O-N 3.15Å; L192-E194 PolarHBondContact O-N 3.37Å; E194-Q279 PolarHBondContact O-NE2 3.33Å
195R92.2Very high90Very high5 Ų552.1 Ų52.12%0.01928%0.278CS..  trans-66.5131.7-177.3-177.1173-73.1179.4-3.2111.3R191 L192 H197 S232 K262 N276 Y280R191-R195 PolarHBondContact O-N 3.24Å; L192-R195 VanDerWaalsContact CD2-NH1 3.32Å; L192-R195 PolarHBondContact O-N 2.98Å; R195-H197 WeakPolarHBondContact CD-O 3.34Å; R195-H197 WeakPolarHBondContact CG-O 3.41Å; R195-S232 PolarHBondContact NH1-OG 2.9Å; R195-K262 WeakPolarHBondContact O-CE 3.45Å; R195-K262 PolarHBondContact O-NZ 2.91Å; R195-N276 WeakPolarHBondContact CG-OD1 3.42Å; R195-Y280 WeakPolarHBondContact CB-OH 3.3Å; R195-Y280 HydrophobicContact CG-CE2 4.5Å; R195-Y280 PolarHBondContact NE-OH 3.3Å
196A90.3Very high90.3Very high25 Ų2547.7 Ų47.721%0.20726%0.255CS..SBendtrans-58.3-62.8-179.600000111.5K262 E271 N276A196-K262 PolarHBondContact O-NZ 3.24Å; A196-E271 WeakPolarHBondContact O-CG 3.48Å; A196-N276 PolarHBondContact N-OD1 3Å
197H90.4Very high90.5Very high0 Ų049 Ų490%026%0.263CS..SBendtrans-99.6109.9179.6177.983.5000111.3R195 T230 V253 R268 E271 T272 N276R195-H197 WeakPolarHBondContact CD-O 3.34Å; R195-H197 WeakPolarHBondContact CG-O 3.41Å; H197-T230 VanDerWaalsContact CD2-CB 3.46Å; H197-T230 WeakPolarHBondContact CD2-CB 3.37Å; H197-T230 WeakPolarHBondContact NE2-CG2 3.13Å; H197-V253 PolarHBondContact CE1-O 3.28Å; H197-V253 PolarHBondContact NE2-O 3.13Å; H197-R268 PolarHBondContact CE1-NH1 2.78Å; H197-R268 PolarHBondContact ND1-NH1 3Å; H197-E271 HydrophobicContact CB-CB 4.03Å; H197-E271 PolarHBondContact ND1-O 3.34Å; H197-T272 WeakPolarHBondContact CB-O 3.49Å; H197-N276 PolarHBondContact N-OD1 2.85Å; H197-N276 PolarHBondContact O-ND2 2.8Å
198L91Very high90.9Very high26 Ų2647 Ų4714%0.13625%0.253CS..  trans-127.4147.9-175.7-170.271000110.8L192 T202 P261 K262 R268L192-L198 HydrophobicContact CB-CD1 4.14Å; L192-L198 HydrophobicContact CD2-CD1 4.39Å; L198-T202 HydrophobicContact CD1-CG2 3.57Å; L198-P261 HydrophobicContact CB-CG 4.04Å; L198-P261 HydrophobicContact CD2-CG 4.21Å; L198-P261 HydrophobicContact CG-CG 4.09Å; L198-P261 VanDerWaalsContact O-CD 3.32Å; L198-P261 WeakPolarHBondContact O-CD 3.47Å; L198-P261 VanDerWaalsContact O-CG 3.29Å; L198-P261 WeakPolarHBondContact O-CG 3.16Å; L198-K262 HydrophobicContact CD2-CG 4.48Å; L198-R268 PolarHBondContact O-NH1 3.2Å; L198-R268 PolarHBondContact O-NH2 2.92Å
199G86.1Confident91.1Very high12 Ų1243.5 Ų43.512%0.12423%0.234CC..  trans-132.9165.1178.500000111.4T201 T202G199-T201 PolarHBondContact O-N 3.4Å; G199-T202 PolarHBondContact N-OG1 3.42Å; G199-T202 WeakPolarHBondContact O-CB 3.45Å; G199-T202 PolarHBondContact O-N 2.92Å; G199-T202 VanDerWaalsContact O-N 3.17Å; G199-T202 PolarHBondContact O-OG1 2.86Å
200N82.8Confident91.2Very high144 Ų14439.1 Ų39.177%0.7721%0.211SC*.THydrogen-bonded Turntrans-63.4-30.3-178.1-67-21.7000112.6P261N200-P261 WeakPolarHBondContact OD1-CB 3.29Å
201T83.5Confident91.3Very high53 Ų5339.6 Ų39.633%0.32522%0.215SC..THydrogen-bonded Turntrans-98.78.4179.538.50000113.7G199 M203 R321 E322G199-T201 PolarHBondContact O-N 3.4Å; T201-M203 PolarHBondContact O-N 2.99Å; T201-R321 HydrophobicContact CG2-CB 3.78Å; T201-E322 HydrophobicContact CG2-CG 3.72Å; T201-E322 WeakPolarHBondContact CG2-OE1 3.25Å; T201-E322 PolarHBondContact OG1-OE1 3.11Å
202T89.1Confident91.6Very high17 Ų1734.2 Ų34.210%0.10419%0.194CC..PPolyproline II helixtrans-52129176.5-64.30000111L192 L198 G199 T230 S232L192-T202 HydrophobicContact CD1-CG2 4.08Å; L192-T202 HydrophobicContact CD2-CG2 3.81Å; L198-T202 HydrophobicContact CD1-CG2 3.57Å; G199-T202 PolarHBondContact N-OG1 3.42Å; G199-T202 WeakPolarHBondContact O-CB 3.45Å; G199-T202 PolarHBondContact O-N 2.92Å; G199-T202 VanDerWaalsContact O-N 3.17Å; G199-T202 PolarHBondContact O-OG1 2.86Å; T202-T230 PolarHBondContact OG1-OG1 2.85Å; T202-S232 WeakPolarHBondContact CG2-OG 3.31Å
203M91.4Very high91.8Very high11 Ų1132 Ų325%0.05418%0.183CC..PPolyproline II helixtrans-70.8147.5-179.2-170179-7500112.1T201 L207 A208 M211 S232 T233 D315T201-M203 PolarHBondContact O-N 2.99Å; M203-L207 HydrophobicContact CG-CB 4.22Å; M203-L207 HydrophobicContact CG-CD2 4.18Å; M203-L207 HydrophobicContact CG-CG 4.32Å; M203-L207 HydrophobicContact SD-CB 4.34Å; M203-L207 HydrophobicContact SD-CD2 4.31Å; M203-L207 HydrophobicContact SD-CG 4.07Å; M203-A208 HydrophobicContact CG-CB 4.3Å; M203-A208 HydrophobicContact SD-CB 3.81Å; M203-M211 HydrophobicContact CE-CE 3.99Å; M203-M211 HydrophobicContact CE-SD 3.45Å; M203-M211 WeakPolarHBondContact CE-SD 3.26Å; M203-M211 HydrophobicContact SD-SD 3.39Å; M203-S232 PolarHBondContact N-OG 2.98Å; M203-T233 HydrophobicContact CE-CG2 3.9Å; M203-T233 HydrophobicContact SD-CG2 3.96Å; M203-D315 HydrophobicContact CE-CB 3.27Å; M203-D315 WeakPolarHBondContact CE-OD2 3.48Å
204N91.8Very high92.2Very high70 Ų7030.4 Ų30.437%0.37417%0.169SC..PPolyproline II helixtrans-58137.1169.4175.3-81.8000111.1F13 T206 L207 A208F13-N204 WeakPolarHBondContact CE2-OD1 3.38Å; F13-N204 HydrophobicContact CZ-CB 4.44Å; N204-T206 PolarHBondContact O-N 3.21Å; N204-T206 WeakPolarHBondContact OD1-CA 3.33Å; N204-T206 VanDerWaalsContact OD1-CB 3.25Å; N204-T206 WeakPolarHBondContact OD1-CB 3.42Å; N204-T206 PolarHBondContact OD1-N 3.44Å; N204-T206 PolarHBondContact OD1-OG1 3.26Å; N204-L207 HydrophobicContact CB-CB 4.18Å; N204-L207 PolarHBondContact O-N 3.38Å; N204-L207 PolarHBondContact OD1-N 2.86Å; N204-L207 VanDerWaalsContact OD1-N 3.15Å; N204-A208 PolarHBondContact O-N 3.49Å
205V93.8Very high92.6Very high16 Ų1625.9 Ų25.910%0.09715%0.154CC..Hα-helixtrans-58.2-46.2-176.6-178.50000112.4M186 Y190 L192 L207 A208 A209M186-V205 HydrophobicContact CE-CG1 4.24Å; M186-V205 HydrophobicContact CG-CG1 4.43Å; Y190-V205 WeakPolarHBondContact O-CG2 3.21Å; L192-V205 HydrophobicContact CD2-CG2 3.71Å; L192-V205 HydrophobicContact CG-CG2 3.84Å; V205-L207 VanDerWaalsContact C-N 3.33Å; V205-L207 PolarHBondContact O-N 3.32Å; V205-A208 PolarHBondContact O-N 3.12Å; V205-A209 WeakPolarHBondContact O-CB 3.07Å; V205-A209 PolarHBondContact O-N 3.39Å
206T93.3Very high92.8Very high6 Ų627.7 Ų27.74%0.03716%0.164CC..Hα-helixtrans-60.8-46.4178.2-38.90000110.3E12 F13 V64 L65 M187 N204 A208 A209 I210E12-T206 WeakPolarHBondContact OE1-CB 3.33Å; E12-T206 PolarHBondContact OE1-OG1 3.35Å; F13-T206 HydrophobicContact CD2-CG2 3.83Å; F13-T206 HydrophobicContact CE2-CG2 4.17Å; V64-T206 HydrophobicContact CB-CG2 4.3Å; V64-T206 HydrophobicContact CG2-CG2 4.07Å; L65-T206 HydrophobicContact CD2-CG2 4.2Å; M187-T206 HydrophobicContact CE-CG2 4.02Å; M187-T206 WeakPolarHBondContact CE-OG1 3.45Å; N204-T206 PolarHBondContact O-N 3.21Å; N204-T206 WeakPolarHBondContact OD1-CA 3.33Å; N204-T206 VanDerWaalsContact OD1-CB 3.25Å; N204-T206 WeakPolarHBondContact OD1-CB 3.42Å; N204-T206 PolarHBondContact OD1-N 3.44Å; N204-T206 PolarHBondContact OD1-OG1 3.26Å; T206-A208 PolarHBondContact O-N 2.94Å; T206-A209 PolarHBondContact O-N 3.22Å; T206-I210 HydrophobicContact CG2-CD1 4.24Å; T206-I210 VanDerWaalsContact O-CG1 3.26Å; T206-I210 WeakPolarHBondContact O-CG1 3.34Å; T206-I210 PolarHBondContact O-N 2.94Å
207L93.9Very high93.1Very high37 Ų3726.5 Ų26.519%0.19415%0.154CC..Hα-helixtrans-63.6-44.2-178.8-174.259.4000111.8F13 F16 M203 N204 V205 A209 I210 M211F13-L207 HydrophobicContact CD1-CD1 4.15Å; F13-L207 HydrophobicContact CE1-CB 4.07Å; F13-L207 HydrophobicContact CE1-CD1 4Å; F13-L207 HydrophobicContact CE1-CD2 4.25Å; F13-L207 HydrophobicContact CE1-CG 4.34Å; F13-L207 HydrophobicContact CE2-CB 4.26Å; F13-L207 HydrophobicContact CZ-CB 3.81Å; F16-L207 HydrophobicContact CD2-CD1 4.46Å; F16-L207 HydrophobicContact CE2-CD1 4.01Å; F16-L207 HydrophobicContact CZ-CD1 4.23Å; M203-L207 HydrophobicContact CG-CB 4.22Å; M203-L207 HydrophobicContact CG-CD2 4.18Å; M203-L207 HydrophobicContact CG-CG 4.32Å; M203-L207 HydrophobicContact SD-CB 4.34Å; M203-L207 HydrophobicContact SD-CD2 4.31Å; M203-L207 HydrophobicContact SD-CG 4.07Å; N204-L207 HydrophobicContact CB-CB 4.18Å; N204-L207 PolarHBondContact O-N 3.38Å; N204-L207 PolarHBondContact OD1-N 2.86Å; N204-L207 VanDerWaalsContact OD1-N 3.15Å; V205-L207 VanDerWaalsContact C-N 3.33Å; V205-L207 PolarHBondContact O-N 3.32Å; L207-A209 VanDerWaalsContact C-N 3.28Å; L207-A209 PolarHBondContact O-N 3.21Å; L207-I210 HydrophobicContact CD1-CD1 4.45Å; L207-I210 WeakPolarHBondContact O-CB 3.25Å; L207-I210 PolarHBondContact O-N 2.98Å; L207-M211 HydrophobicContact CG-SD 4.36Å; L207-M211 WeakPolarHBondContact O-CG 3.46Å; L207-M211 PolarHBondContact O-N 3.48Å
208A95.8Very high93.4Very high2 Ų232.4 Ų32.42%0.01718%0.176CC..Hα-helixtrans-60.1-39.5175.200000111.9M203 N204 V205 T206 M211 A212 S232 A236M203-A208 HydrophobicContact CG-CB 4.3Å; M203-A208 HydrophobicContact SD-CB 3.81Å; N204-A208 PolarHBondContact O-N 3.49Å; V205-A208 PolarHBondContact O-N 3.12Å; T206-A208 PolarHBondContact O-N 2.94Å; A208-M211 PolarHBondContact O-N 3.15Å; A208-A212 PolarHBondContact O-N 2.9Å; A208-S232 WeakPolarHBondContact CB-O 3.48Å; A208-A236 HydrophobicContact CB-CB 3.84Å
209A95.7Very high93.7Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-70.1-37.6176.900000113.3V64 M186 V205 T206 L207 M211 A212 N213 A236V64-A209 HydrophobicContact CB-CB 4.3Å; V64-A209 HydrophobicContact CG1-CB 3.73Å; V64-A209 HydrophobicContact CG2-CB 3.85Å; M186-A209 HydrophobicContact CE-CB 4.16Å; V205-A209 WeakPolarHBondContact O-CB 3.07Å; V205-A209 PolarHBondContact O-N 3.39Å; T206-A209 PolarHBondContact O-N 3.22Å; L207-A209 VanDerWaalsContact C-N 3.28Å; L207-A209 PolarHBondContact O-N 3.21Å; A209-M211 VanDerWaalsContact C-N 3.32Å; A209-A212 PolarHBondContact O-N 2.83Å; A209-N213 PolarHBondContact O-N 2.9Å; A209-A236 HydrophobicContact CB-CB 4.49Å
210I95.8Very high94.1Very high2 Ų242 Ų421%0.0122%0.223CC..Hα-helixtrans-58.2-48.5170-66.6162.9000109.3F13 F16 V64 L65 T206 L207 A212 N213 V214F13-I210 HydrophobicContact CB-CD1 3.73Å; F13-I210 HydrophobicContact CD2-CD1 3.9Å; F13-I210 HydrophobicContact CG-CD1 3.81Å; F16-I210 HydrophobicContact CB-CD1 4.16Å; F16-I210 HydrophobicContact CB-CG2 3.89Å; F16-I210 HydrophobicContact CD1-CG2 4.36Å; F16-I210 HydrophobicContact CG-CG2 4.22Å; V64-I210 HydrophobicContact CG2-CG1 3.69Å; L65-I210 HydrophobicContact CD1-CD1 3.95Å; L65-I210 HydrophobicContact CD1-CG1 4.11Å; L65-I210 HydrophobicContact CD2-CD1 3.73Å; L65-I210 HydrophobicContact CD2-CG1 4.27Å; L65-I210 HydrophobicContact CG-CD1 4Å; L65-I210 HydrophobicContact CG-CG1 4.06Å; T206-I210 HydrophobicContact CG2-CD1 4.24Å; T206-I210 VanDerWaalsContact O-CG1 3.26Å; T206-I210 WeakPolarHBondContact O-CG1 3.34Å; T206-I210 PolarHBondContact O-N 2.94Å; L207-I210 HydrophobicContact CD1-CD1 4.45Å; L207-I210 WeakPolarHBondContact O-CB 3.25Å; L207-I210 PolarHBondContact O-N 2.98Å; I210-A212 VanDerWaalsContact C-N 3.32Å; I210-A212 PolarHBondContact O-N 3.42Å; I210-N213 WeakPolarHBondContact O-CB 3.34Å; I210-N213 PolarHBondContact O-N 3.19Å; I210-N213 VanDerWaalsContact O-N 3.11Å; I210-V214 HydrophobicContact CG2-CG2 4.19Å; I210-V214 WeakPolarHBondContact O-CG2 3.43Å; I210-V214 PolarHBondContact O-N 3.1Å
211M97.4Very high94.7Very high39 Ų3935.4 Ų35.419%0.19219%0.188CC..Hα-helixtrans-60.6-41.2179.3-70.1172.271.100111.9M203 L207 A208 A209 N213 V214 G215 T233 I313 T314M203-M211 HydrophobicContact CE-CE 3.99Å; M203-M211 HydrophobicContact CE-SD 3.45Å; M203-M211 WeakPolarHBondContact CE-SD 3.26Å; M203-M211 HydrophobicContact SD-SD 3.39Å; L207-M211 HydrophobicContact CG-SD 4.36Å; L207-M211 WeakPolarHBondContact O-CG 3.46Å; L207-M211 PolarHBondContact O-N 3.48Å; A208-M211 PolarHBondContact O-N 3.15Å; A209-M211 VanDerWaalsContact C-N 3.32Å; M211-N213 VanDerWaalsContact C-N 3.33Å; M211-N213 PolarHBondContact O-N 3.41Å; M211-V214 PolarHBondContact O-N 3.42Å; M211-G215 PolarHBondContact O-N 3.29Å; M211-T233 HydrophobicContact CE-CG2 4.13Å; M211-T233 HydrophobicContact SD-CG2 4.44Å; M211-I313 HydrophobicContact CB-CG2 3.78Å; M211-I313 HydrophobicContact CE-CG2 3.69Å; M211-I313 WeakPolarHBondContact O-CD1 3.06Å; M211-T314 WeakPolarHBondContact CE-O 3.27Å
212A97.5Very high95.2Very high0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-63.2-36.5174.200000113.2A208 A209 I210 L216 C217 A236 A237A208-A212 PolarHBondContact O-N 2.9Å; A209-A212 PolarHBondContact O-N 2.83Å; I210-A212 VanDerWaalsContact C-N 3.32Å; I210-A212 PolarHBondContact O-N 3.42Å; A212-L216 PolarHBondContact O-N 3.38Å; A212-C217 HydrophobicContact CB-CB 4.35Å; A212-C217 VanDerWaalsContact O-CB 3.27Å; A212-C217 WeakPolarHBondContact O-CB 3.31Å; A212-C217 PolarHBondContact O-N 3.07Å; A212-A236 HydrophobicContact CB-CB 4.24Å; A212-A237 HydrophobicContact CB-CB 4.24Å
213N96.9Very high95.6Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-68.9-44.7174.2-72.3-15.3000111.5E20 S23 L24 R62 A209 I210 M211 L216 W240E20-N213 HydrophobicContact CG-CB 4.1Å; E20-N213 PolarHBondContact OE1-ND2 3.26Å; S23-N213 WeakPolarHBondContact CB-O 3.4Å; L24-N213 HydrophobicContact CD2-CB 4.15Å; R62-N213 PolarHBondContact NE-OD1 3.05Å; R62-N213 PolarHBondContact NH2-OD1 2.89Å; R62-N213 PolarHBondContact O-ND2 2.88Å; A209-N213 PolarHBondContact O-N 2.9Å; I210-N213 WeakPolarHBondContact O-CB 3.34Å; I210-N213 PolarHBondContact O-N 3.19Å; I210-N213 VanDerWaalsContact O-N 3.11Å; M211-N213 VanDerWaalsContact C-N 3.33Å; M211-N213 PolarHBondContact O-N 3.41Å; N213-L216 PolarHBondContact O-N 3.11Å; N213-L216 VanDerWaalsContact O-N 3.07Å; N213-W240 PolarHBondContact OD1-NE1 3.03Å
214V97.7Very high95.8Very high56 Ų5636 Ų3634%0.33918%0.184SC..Hα-helixtrans-67.1-35.2178.41750000112.2I19 S23 I210 M211 L216I19-V214 HydrophobicContact CG1-CG1 4.01Å; I19-V214 HydrophobicContact CG1-CG2 3.94Å; I19-V214 HydrophobicContact CG2-CG2 4.07Å; S23-V214 WeakPolarHBondContact OG-CA 3.33Å; I210-V214 HydrophobicContact CG2-CG2 4.19Å; I210-V214 WeakPolarHBondContact O-CG2 3.43Å; I210-V214 PolarHBondContact O-N 3.1Å; M211-V214 PolarHBondContact O-N 3.42Å; V214-L216 PolarHBondContact O-N 2.71Å
215G97.3Very high95.9Very high23 Ų2332.9 Ų32.924%0.23717%0.167CC..THydrogen-bonded Turntrans-76.57.8172.100000114.1M211 C217 A311M211-G215 PolarHBondContact O-N 3.29Å; G215-C217 PolarHBondContact O-N 2.94Å; G215-C217 VanDerWaalsContact O-N 3.07Å; G215-A311 WeakPolarHBondContact O-CB 3.33Å
216L97.3Very high95.9Very high42 Ų4232.5 Ų32.522%0.2217%0.166CC..THydrogen-bonded Turntrans54.527.8178.2-53.4177.3000114.5S23 M27 A212 N213 V214 R218S23-L216 VanDerWaalsContact O-CD2 3.3Å; S23-L216 WeakPolarHBondContact O-CD2 3.39Å; M27-L216 HydrophobicContact CB-CD2 4.33Å; M27-L216 VanDerWaalsContact CE-C 3.5Å; M27-L216 VanDerWaalsContact CE-CA 3.45Å; M27-L216 HydrophobicContact CE-CB 4.17Å; M27-L216 HydrophobicContact CE-CD2 4.2Å; A212-L216 PolarHBondContact O-N 3.38Å; N213-L216 PolarHBondContact O-N 3.11Å; N213-L216 VanDerWaalsContact O-N 3.07Å; V214-L216 PolarHBondContact O-N 2.71Å; L216-R218 PolarHBondContact O-N 3.41Å; L216-R218 PolarHBondContact O-NH1 3.07Å
217C97.6Very high95.9Very high1 Ų135.4 Ų35.41%0.00718%0.178CC..  trans-58.7130.3180-67.30000110R62 A212 G215 V223 A237 S242 I313R62-C217 PolarHBondContact NH1-O 3.28Å; R62-C217 PolarHBondContact NH2-O 2.92Å; A212-C217 HydrophobicContact CB-CB 4.35Å; A212-C217 VanDerWaalsContact O-CB 3.27Å; A212-C217 WeakPolarHBondContact O-CB 3.31Å; A212-C217 PolarHBondContact O-N 3.07Å; G215-C217 PolarHBondContact O-N 2.94Å; G215-C217 VanDerWaalsContact O-N 3.07Å; C217-V223 HydrophobicContact CB-CG2 4.27Å; C217-V223 WeakPolarHBondContact SG-CG2 3.48Å; C217-A237 HydrophobicContact CB-CB 3.92Å; C217-S242 WeakPolarHBondContact CB-OG 3.32Å; C217-I313 WeakPolarHBondContact SG-CD1 3.2Å
218R96.1Very high96Very high123 Ų12333.9 Ų33.946%0.46417%0.17SC..  trans-148176.6-178.360.4-173.1178.4-84.5-0.4110.4L216 S220 S221 W240 G241 S242L216-R218 PolarHBondContact O-N 3.41Å; L216-R218 PolarHBondContact O-NH1 3.07Å; R218-S220 PolarHBondContact O-N 3.01Å; R218-S221 PolarHBondContact N-OG 3.47Å; R218-S221 VanDerWaalsContact N-OG 3.1Å; R218-S221 WeakPolarHBondContact O-CB 3.19Å; R218-S221 PolarHBondContact O-N 2.87Å; R218-S221 PolarHBondContact O-OG 3.05Å; R218-W240 CarbonylContact C-O 3.2Å; R218-G241 CarbonylContact O-C 3.54Å; R218-S242 PolarHBondContact N-OG 3.23Å; R218-S242 PolarHBondContact O-N 3.47Å; R218-S242 PolarHBondContact O-OG 3.05Å
219K96.5Very high95.9Very high165 Ų16534.4 Ų34.472%0.71718%0.176SC*.THydrogen-bonded Turntrans-49.7132.5176.4-170.4179.5177.7-177.30110.7S221 W240 G241K219-S221 PolarHBondContact O-N 2.81Å; K219-W240 PolarHBondContact N-O 3.07Å; K219-G241 WeakPolarHBondContact CA-O 3.39Å
220S94.1Very high95.8Very high76 Ų7634.8 Ų34.853%0.53118%0.178SC..THydrogen-bonded Turntrans67.88.7178-48.70000115.8R218 G241R218-S220 PolarHBondContact O-N 3.01Å; S220-G241 PolarHBondContact N-O 3.35Å
221S95.5Very high95.8Very high4 Ų434.7 Ų34.73%0.02818%0.177CC..  trans-83.1143.3172.975.50000111.3R218 K219 S242 F243 D310R218-S221 PolarHBondContact N-OG 3.47Å; R218-S221 VanDerWaalsContact N-OG 3.1Å; R218-S221 WeakPolarHBondContact O-CB 3.19Å; R218-S221 PolarHBondContact O-N 2.87Å; R218-S221 PolarHBondContact O-OG 3.05Å; K219-S221 PolarHBondContact O-N 2.81Å; S221-S242 CarbonylContact O-C 3.51Å; S221-S242 WeakPolarHBondContact O-CA 3.35Å; S221-S242 VanDerWaalsContact O-CB 3.27Å; S221-S242 WeakPolarHBondContact O-CB 3.26Å; S221-S242 WeakPolarHBondContact OG-CB 3.48Å; S221-S242 PolarHBondContact OG-OG 3.03Å; S221-F243 PolarHBondContact O-N 3.02Å; S221-D310 VanDerWaalsContact CA-OD2 3.23Å; S221-D310 WeakPolarHBondContact CA-OD2 3.15Å
222F95.3Very high95.8Very high82 Ų8233.2 Ų33.236%0.3617%0.171SC..EExtended strand (participates in β ladder)trans-92.2123172.9-66.7-87.4000110.2F243 F309 D310 A311F222-F243 HydrophobicContact CD1-CB 3.75Å; F222-F243 HydrophobicContact CD1-CD2 4.27Å; F222-F243 HydrophobicContact CD1-CG 4.26Å; F222-F243 HydrophobicContact CE1-CB 3.99Å; F222-F243 AromaticContact CE1-CD2 3.94Å; F222-F243 HydrophobicContact CE1-CD2 3.94Å; F222-F243 HydrophobicContact CE1-CG 4.02Å; F222-F243 HydrophobicContact CG-CB 4.5Å; F222-F243 HydrophobicContact CZ-CD2 4.1Å; F222-F309 HydrophobicContact CB-CD1 4.03Å; F222-D310 PolarHBondContact N-OD2 3.39Å; F222-D310 PolarHBondContact O-N 2.9Å; F222-A311 PolarHBondContact O-N 2.81Å
223V96.4Very high95.7Very high0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-122.8129.4-173.8-179.40000109.4C217 A237 F243 G245 A311 I313C217-V223 HydrophobicContact CB-CG2 4.27Å; C217-V223 WeakPolarHBondContact SG-CG2 3.48Å; V223-A237 HydrophobicContact CB-CB 4.16Å; V223-A237 HydrophobicContact CG1-CB 3.92Å; V223-A237 HydrophobicContact CG2-CB 4.06Å; V223-F243 PolarHBondContact N-O 3.26Å; V223-G245 PolarHBondContact O-N 3.14Å; V223-A311 WeakPolarHBondContact CA-O 3.34Å; V223-A311 HydrophobicContact CG2-CB 4.32Å; V223-I313 HydrophobicContact CG1-CD1 4.14Å; V223-I313 HydrophobicContact CG1-CG1 4.29Å
224W95.1Very high95.8Very high12 Ų1233.4 Ų33.45%0.04517%0.172CC..EExtended strand (participates in β ladder)trans-119133.9-179-164.6-98.1000112.2G245 G246 L287 F300 L301 F309 A311 I312 I313W224-G245 CarbonylContact C-O 3.53Å; W224-G245 VanDerWaalsContact CA-O 3.27Å; W224-G245 WeakPolarHBondContact CA-O 3.49Å; W224-G246 VanDerWaalsContact CE2-CA 3.44Å; W224-G246 WeakPolarHBondContact CH2-O 3.43Å; W224-G246 WeakPolarHBondContact CZ2-O 3.36Å; W224-G246 VanDerWaalsContact CZ3-N 3.29Å; W224-L287 HydrophobicContact CE3-CD2 4.14Å; W224-L287 HydrophobicContact CZ3-CD2 4.03Å; W224-F300 HydrophobicContact CH2-CE1 4.48Å; W224-F300 HydrophobicContact CZ2-CE1 4.18Å; W224-L301 HydrophobicContact CG-CD2 4.33Å; W224-F309 HydrophobicContact CB-CB 4.29Å; W224-F309 HydrophobicContact CB-CD1 3.76Å; W224-F309 HydrophobicContact CB-CD2 3.59Å; W224-F309 HydrophobicContact CB-CE1 3.91Å; W224-F309 HydrophobicContact CB-CE2 3.75Å; W224-F309 HydrophobicContact CB-CG 3.6Å; W224-F309 HydrophobicContact CB-CZ 3.9Å; W224-F309 AromaticContact CD2-CE1 3.93Å; W224-F309 HydrophobicContact CD2-CE1 3.93Å; W224-F309 AromaticContact CD2-CE2 3.78Å; W224-F309 HydrophobicContact CD2-CE2 3.78Å; W224-F309 AromaticContact CD2-CZ 3.42Å; W224-F309 HydrophobicContact CD2-CZ 3.42Å; W224-F309 VanDerWaalsContact CD2-CZ 3.42Å; W224-F309 HydrophobicContact CE3-CD1 4.38Å; W224-F309 AromaticContact CE3-CE1 3.44Å; W224-F309 HydrophobicContact CE3-CE1 3.44Å; W224-F309 VanDerWaalsContact CE3-CE1 3.44Å; W224-F309 HydrophobicContact CE3-CE2 4.1Å; W224-F309 AromaticContact CE3-CZ 3.25Å; W224-F309 HydrophobicContact CE3-CZ 3.25Å; W224-F309 HydrophobicContact CG-CD1 4.48Å; W224-F309 AromaticContact CG-CD2 3.99Å; W224-F309 HydrophobicContact CG-CD2 3.99Å; W224-F309 HydrophobicContact CG-CE1 4.18Å; W224-F309 AromaticContact CG-CE2 3.64Å; W224-F309 HydrophobicContact CG-CE2 3.64Å; W224-F309 HydrophobicContact CG-CG 4.4Å; W224-F309 AromaticContact CG-CZ 3.74Å; W224-F309 HydrophobicContact CG-CZ 3.74Å; W224-F309 HydrophobicContact CZ3-CE1 4.24Å; W224-F309 AromaticContact CZ3-CZ 3.95Å; W224-F309 HydrophobicContact CZ3-CZ 3.95Å; W224-A311 PolarHBondContact N-O 3.26Å; W224-I312 VanDerWaalsContact O-CA 3.31Å; W224-I312 WeakPolarHBondContact O-CA 3.49Å; W224-I313 PolarHBondContact O-N 3.23Å
225D95.9Very high95.8Very high4 Ų430.9 Ų30.92%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-112.8111.4166.2-167.8-17.8000110.7F227 I228 T233 V234 G245 G246 S247 I313 T314D225-F227 PolarHBondContact O-N 2.64Å; D225-F227 VanDerWaalsContact OD1-C 3.31Å; D225-F227 PolarHBondContact OD1-N 2.8Å; D225-I228 HydrophobicContact CB-CB 4.01Å; D225-I228 HydrophobicContact CB-CG1 4.2Å; D225-T233 WeakPolarHBondContact OD2-CB 3.41Å; D225-T233 PolarHBondContact OD2-OG1 2.83Å; D225-V234 HydrophobicContact CB-CG1 3.83Å; D225-G245 PolarHBondContact N-O 3.04Å; D225-G246 CarbonylContact O-C 3.44Å; D225-G246 WeakPolarHBondContact O-CA 3.48Å; D225-S247 PolarHBondContact O-N 3.26Å; D225-I313 VanDerWaalsContact CA-O 3.32Å; D225-I313 WeakPolarHBondContact CA-O 3.25Å; D225-I313 WeakPolarHBondContact CB-O 3.4Å; D225-T314 WeakPolarHBondContact OD1-CB 3.4Å; D225-T314 PolarHBondContact OD1-OG1 3.49Å
226P93.6Very high95.8Very high9 Ų929.9 Ų29.96%0.05815%0.146CC..THydrogen-bonded Turntrans-70.6-9.117727.5-36.5000115.6S247 I294 I312 T314P226-S247 CarbonylContact C-O 3.43Å; P226-S247 WeakPolarHBondContact CA-OG 3.17Å; P226-S247 PolarHBondContact O-OG 2.97Å; P226-I294 HydrophobicContact CB-CD1 3.25Å; P226-I294 HydrophobicContact CB-CG1 3.9Å; P226-I294 HydrophobicContact CG-CD1 4.17Å; P226-I312 HydrophobicContact CG-CG2 4.18Å; P226-T314 HydrophobicContact CG-CG2 4.15Å
227F93.5Very high95.8Very high66 Ų6627.9 Ų27.929%0.28914%0.136SC..THydrogen-bonded Turntrans-130.951.8175.4-60.1-83.2000109D225 G229 S247 I294 T314 P316 P317D225-F227 PolarHBondContact O-N 2.64Å; D225-F227 VanDerWaalsContact OD1-C 3.31Å; D225-F227 PolarHBondContact OD1-N 2.8Å; F227-G229 VanDerWaalsContact C-N 3.26Å; F227-G229 PolarHBondContact O-N 2.95Å; F227-S247 WeakPolarHBondContact CA-O 3Å; F227-S247 PolarHBondContact N-O 2.65Å; F227-I294 HydrophobicContact CE1-CG2 4.03Å; F227-I294 HydrophobicContact CE2-CG1 4.37Å; F227-I294 HydrophobicContact CE2-CG2 4.46Å; F227-I294 HydrophobicContact CZ-CB 4.22Å; F227-I294 HydrophobicContact CZ-CG1 4.36Å; F227-I294 HydrophobicContact CZ-CG2 3.66Å; F227-T314 WeakPolarHBondContact CD2-OG1 3.22Å; F227-P316 HydrophobicContact CD2-CB 3.91Å; F227-P316 HydrophobicContact CE2-CB 3.68Å; F227-P316 HydrophobicContact CZ-CB 4.12Å; F227-P317 HydrophobicContact CD1-CG 4.41Å; F227-P317 HydrophobicContact CE1-CG 4.19Å
228I95.2Very high95.8Very high6 Ų627.9 Ų27.93%0.03114%0.135CC..  trans-61.2-31.7-164.2-168.6161.7000113.7D225 T230 G231 V234 G246 S247 D248 L254 L273 V289D225-I228 HydrophobicContact CB-CB 4.01Å; D225-I228 HydrophobicContact CB-CG1 4.2Å; I228-T230 PolarHBondContact O-N 3.15Å; I228-G231 WeakPolarHBondContact O-CA 3.15Å; I228-G231 PolarHBondContact O-N 3.34Å; I228-V234 HydrophobicContact CD1-CB 4.48Å; I228-V234 HydrophobicContact CD1-CG1 4.08Å; I228-V234 HydrophobicContact CD1-CG2 3.61Å; I228-V234 HydrophobicContact CG1-CG1 4.47Å; I228-V234 HydrophobicContact CG1-CG2 4.01Å; I228-G246 VanDerWaalsContact CD1-CA 3.49Å; I228-S247 WeakPolarHBondContact CG2-O 3.46Å; I228-S247 PolarHBondContact N-O 3.43Å; I228-D248 HydrophobicContact CG2-CB 4.16Å; I228-L254 HydrophobicContact CG2-CD2 3.39Å; I228-L273 HydrophobicContact CD1-CD2 3.6Å; I228-L273 HydrophobicContact CG1-CD2 4.22Å; I228-V289 HydrophobicContact CD1-CG1 4.2Å
229G93.5Very high95.8Very high13 Ų1323.3 Ų23.313%0.13412%0.121CC..THydrogen-bonded Turntrans46.6-122.7-172.100000112F227 G231 D248F227-G229 VanDerWaalsContact C-N 3.26Å; F227-G229 PolarHBondContact O-N 2.95Å; G229-G231 PolarHBondContact O-N 2.94Å; G229-D248 WeakPolarHBondContact CA-OD2 3.46Å; G229-D248 PolarHBondContact N-OD2 3.42Å
230T93.8Very high95.7Very high8 Ų817.3 Ų17.35%0.0499%0.094CC..THydrogen-bonded Turntrans-83.110.9177.473.10000114.4H197 T202 I228 V253H197-T230 VanDerWaalsContact CD2-CB 3.46Å; H197-T230 WeakPolarHBondContact CD2-CB 3.37Å; H197-T230 WeakPolarHBondContact NE2-CG2 3.13Å; T202-T230 PolarHBondContact OG1-OG1 2.85Å; I228-T230 PolarHBondContact O-N 3.15Å; T230-V253 HydrophobicContact CG2-CG1 4.22Å
231G96.1Very high95.9Very high0 Ų014 Ų140%07%0.072CC..  trans74.530.2171.100000117.1I228 G229 T233 V234 I235I228-G231 WeakPolarHBondContact O-CA 3.15Å; I228-G231 PolarHBondContact O-N 3.34Å; G229-G231 PolarHBondContact O-N 2.94Å; G231-T233 PolarHBondContact O-N 2.89Å; G231-V234 WeakPolarHBondContact O-CG2 3.44Å; G231-I235 VanDerWaalsContact O-CB 3.31Å; G231-I235 WeakPolarHBondContact O-CB 3.45Å; G231-I235 WeakPolarHBondContact O-CD1 3.4Å; G231-I235 WeakPolarHBondContact O-CG1 3.26Å; G231-I235 PolarHBondContact O-N 2.85Å
232S96.1Very high96Very high8 Ų813.8 Ų13.86%0.0567%0.071CC..Hα-helixtrans-62.2-42.8-176.6-61.70000113.5R195 T202 M203 A208 A236R195-S232 PolarHBondContact NH1-OG 2.9Å; T202-S232 WeakPolarHBondContact CG2-OG 3.31Å; M203-S232 PolarHBondContact N-OG 2.98Å; A208-S232 WeakPolarHBondContact CB-O 3.48Å; S232-A236 WeakPolarHBondContact O-CB 3.46Å; S232-A236 PolarHBondContact O-N 3.03Å; S232-A236 VanDerWaalsContact O-N 3.15Å
233T96.9Very high96.1Very high4 Ų413.1 Ų13.13%0.0257%0.067CC..Hα-helixtrans-64.1-49.1179.445.70000111.4M203 M211 D225 G231 A236 A237 I313M203-T233 HydrophobicContact CE-CG2 3.9Å; M203-T233 HydrophobicContact SD-CG2 3.96Å; M211-T233 HydrophobicContact CE-CG2 4.13Å; M211-T233 HydrophobicContact SD-CG2 4.44Å; D225-T233 WeakPolarHBondContact OD2-CB 3.41Å; D225-T233 PolarHBondContact OD2-OG1 2.83Å; G231-T233 PolarHBondContact O-N 2.89Å; T233-A236 PolarHBondContact O-N 3.24Å; T233-A237 PolarHBondContact O-N 3.4Å; T233-I313 HydrophobicContact CG2-CG2 4.06Å
234V97.9Very high96.2Very high0 Ų013.1 Ų13.10%07%0.067CC..Hα-helixtrans-73.2-34-178.9-60.80000112.8D225 I228 G231 A236 A237 S238 G245 L273 Y277D225-V234 HydrophobicContact CB-CG1 3.83Å; I228-V234 HydrophobicContact CD1-CB 4.48Å; I228-V234 HydrophobicContact CD1-CG1 4.08Å; I228-V234 HydrophobicContact CD1-CG2 3.61Å; I228-V234 HydrophobicContact CG1-CG1 4.47Å; I228-V234 HydrophobicContact CG1-CG2 4.01Å; G231-V234 WeakPolarHBondContact O-CG2 3.44Å; V234-A236 VanDerWaalsContact C-N 3.31Å; V234-A236 PolarHBondContact O-N 3.17Å; V234-A237 PolarHBondContact O-N 2.99Å; V234-S238 WeakPolarHBondContact O-CB 3.47Å; V234-S238 PolarHBondContact O-N 3.27Å; V234-S238 PolarHBondContact O-OG 3.5Å; V234-S238 VanDerWaalsContact O-OG 3.13Å; V234-G245 WeakPolarHBondContact CG1-O 3.42Å; V234-L273 HydrophobicContact CG2-CD2 4.2Å; V234-Y277 HydrophobicContact CG2-CE2 4.45Å; V234-Y277 PolarHBondContact O-OH 2.99Å
235I97.8Very high96.2Very high2 Ų212.5 Ų12.51%0.017%0.065CC..Hα-helixtrans-59.6-46.8170.9-72.2164.4000109.2Y190 G231 A237 S238 V239 L273 N276 Y277 Y280 L282Y190-I235 HydrophobicContact CD1-CG2 4.27Å; Y190-I235 HydrophobicContact CE1-CG2 4.41Å; G231-I235 VanDerWaalsContact O-CB 3.31Å; G231-I235 WeakPolarHBondContact O-CB 3.45Å; G231-I235 WeakPolarHBondContact O-CD1 3.4Å; G231-I235 WeakPolarHBondContact O-CG1 3.26Å; G231-I235 PolarHBondContact O-N 2.85Å; I235-A237 VanDerWaalsContact C-N 3.34Å; I235-A237 PolarHBondContact O-N 3.28Å; I235-S238 CarbonylContact O-C 3.45Å; I235-S238 WeakPolarHBondContact O-CA 3.47Å; I235-S238 PolarHBondContact O-N 3.15Å; I235-S238 VanDerWaalsContact O-N 3.08Å; I235-V239 WeakPolarHBondContact O-CG2 3.44Å; I235-V239 PolarHBondContact O-N 3.29Å; I235-L273 HydrophobicContact CD1-CD1 3.78Å; I235-L273 HydrophobicContact CG1-CD1 4.03Å; I235-N276 HydrophobicContact CD1-CB 3.7Å; I235-Y277 HydrophobicContact CG1-CD2 4.1Å; I235-Y277 HydrophobicContact CG1-CE2 3.67Å; I235-Y280 HydrophobicContact CD1-CE2 4.38Å; I235-Y280 HydrophobicContact CG2-CD2 3.99Å; I235-Y280 HydrophobicContact CG2-CE2 4.21Å; I235-L282 HydrophobicContact CG2-CD1 4.21Å
236A96.9Very high96.2Very high3 Ų312.3 Ų12.33%0.0256%0.064CC..Hα-helixtrans-62.1-40178.700000112.4A208 A209 A212 S232 T233 V234 V239A208-A236 HydrophobicContact CB-CB 3.84Å; A209-A236 HydrophobicContact CB-CB 4.49Å; A212-A236 HydrophobicContact CB-CB 4.24Å; S232-A236 WeakPolarHBondContact O-CB 3.46Å; S232-A236 PolarHBondContact O-N 3.03Å; S232-A236 VanDerWaalsContact O-N 3.15Å; T233-A236 PolarHBondContact O-N 3.24Å; V234-A236 VanDerWaalsContact C-N 3.31Å; V234-A236 PolarHBondContact O-N 3.17Å; A236-V239 PolarHBondContact O-N 3.35Å
237A97.9Very high96.3Very high0 Ų011.9 Ų11.90%06%0.062CC..Hα-helixtrans-63-41.7171.100000112.2A212 C217 V223 T233 V234 I235 V239 W240 G241 S242A212-A237 HydrophobicContact CB-CB 4.24Å; C217-A237 HydrophobicContact CB-CB 3.92Å; V223-A237 HydrophobicContact CB-CB 4.16Å; V223-A237 HydrophobicContact CG1-CB 3.92Å; V223-A237 HydrophobicContact CG2-CB 4.06Å; T233-A237 PolarHBondContact O-N 3.4Å; V234-A237 PolarHBondContact O-N 2.99Å; I235-A237 VanDerWaalsContact C-N 3.34Å; I235-A237 PolarHBondContact O-N 3.28Å; A237-V239 VanDerWaalsContact C-N 3.32Å; A237-V239 PolarHBondContact O-N 3.22Å; A237-W240 WeakPolarHBondContact O-CA 3.21Å; A237-W240 WeakPolarHBondContact O-CB 3.32Å; A237-W240 PolarHBondContact O-N 3.25Å; A237-G241 PolarHBondContact O-N 3.14Å; A237-S242 WeakPolarHBondContact O-CB 3.49Å; A237-S242 PolarHBondContact O-N 3.21Å; A237-S242 PolarHBondContact O-OG 2.75Å
238S98.1Very high96.3Very high0 Ų09.9 Ų9.90%05%0.054CC..Hα-helixtrans-67.8-27.1178.7-69.20000113.4V234 I235 W240 G241 S242 G244 Y277 R285V234-S238 WeakPolarHBondContact O-CB 3.47Å; V234-S238 PolarHBondContact O-N 3.27Å; V234-S238 PolarHBondContact O-OG 3.5Å; V234-S238 VanDerWaalsContact O-OG 3.13Å; I235-S238 CarbonylContact O-C 3.45Å; I235-S238 WeakPolarHBondContact O-CA 3.47Å; I235-S238 PolarHBondContact O-N 3.15Å; I235-S238 VanDerWaalsContact O-N 3.08Å; S238-W240 PolarHBondContact O-N 3.45Å; S238-G241 PolarHBondContact O-N 3.32Å; S238-G241 VanDerWaalsContact O-N 3.14Å; S238-S242 VanDerWaalsContact CA-O 3.26Å; S238-S242 WeakPolarHBondContact CA-O 3.42Å; S238-S242 WeakPolarHBondContact CB-O 3.48Å; S238-S242 PolarHBondContact OG-O 3.37Å; S238-G244 PolarHBondContact OG-N 3.34Å; S238-Y277 WeakPolarHBondContact OG-CE1 3.36Å; S238-Y277 PolarHBondContact OG-OH 3.27Å; S238-R285 WeakPolarHBondContact O-CD 3.38Å; S238-R285 PolarHBondContact O-NH1 2.99Å
239V96Very high96.2Very high28 Ų2814.6 Ų14.617%0.178%0.078CC..Hα-helixtrans-55.8-40.5167.6177.60000110.6M186 Y190 I235 A236 A237 G241 L282 R285M186-V239 HydrophobicContact CE-CB 4.26Å; M186-V239 HydrophobicContact CE-CG1 4.33Å; M186-V239 HydrophobicContact CE-CG2 3.85Å; M186-V239 HydrophobicContact SD-CB 4.47Å; M186-V239 HydrophobicContact SD-CG1 3.9Å; M186-V239 HydrophobicContact SD-CG2 4.26Å; Y190-V239 HydrophobicContact CD1-CG2 4.31Å; Y190-V239 HydrophobicContact CE1-CG2 3.55Å; Y190-V239 HydrophobicContact CE2-CG1 4.31Å; Y190-V239 HydrophobicContact CE2-CG2 3.86Å; Y190-V239 WeakPolarHBondContact OH-CG2 3.02Å; I235-V239 WeakPolarHBondContact O-CG2 3.44Å; I235-V239 PolarHBondContact O-N 3.29Å; A236-V239 PolarHBondContact O-N 3.35Å; A237-V239 VanDerWaalsContact C-N 3.32Å; A237-V239 PolarHBondContact O-N 3.22Å; V239-G241 VanDerWaalsContact C-N 3.28Å; V239-G241 PolarHBondContact O-N 3.32Å; V239-L282 HydrophobicContact CG2-CD1 4.19Å; V239-R285 PolarHBondContact O-NH1 3.41Å; V239-R285 VanDerWaalsContact O-NH1 3.16Å
240W95Very high96Very high39 Ų3917.3 Ų17.315%0.1489%0.089CC..THydrogen-bonded Turntrans-81.43.6180-57125.9000115.7R62 V64 I182 N213 R218 K219 A237 S238R62-W240 HydrophobicContact CB-CH2 4.15Å; R62-W240 HydrophobicContact CB-CZ3 4.26Å; R62-W240 HydrophobicContact CG-CD2 4.22Å; R62-W240 HydrophobicContact CG-CE3 4.04Å; R62-W240 HydrophobicContact CG-CH2 3.6Å; R62-W240 HydrophobicContact CG-CZ2 3.81Å; R62-W240 HydrophobicContact CG-CZ3 3.75Å; R62-W240 WeakPolarHBondContact O-CH2 3.4Å; R62-W240 VanDerWaalsContact O-CZ2 3.24Å; R62-W240 WeakPolarHBondContact O-CZ2 3.37Å; V64-W240 HydrophobicContact CG1-CZ2 4.44Å; I182-W240 HydrophobicContact CD1-CH2 3.22Å; I182-W240 HydrophobicContact CD1-CZ2 4.32Å; I182-W240 HydrophobicContact CD1-CZ3 3.53Å; I182-W240 HydrophobicContact CG1-CH2 3.99Å; N213-W240 PolarHBondContact OD1-NE1 3.03Å; R218-W240 CarbonylContact C-O 3.2Å; K219-W240 PolarHBondContact N-O 3.07Å; A237-W240 WeakPolarHBondContact O-CA 3.21Å; A237-W240 WeakPolarHBondContact O-CB 3.32Å; A237-W240 PolarHBondContact O-N 3.25Å; S238-W240 PolarHBondContact O-N 3.45Å
241G96.7Very high95.9Very high6 Ų623 Ų236%0.06211%0.111CC..THydrogen-bonded Turntrans106.5-0.517600000115.8R218 K219 S220 A237 S238 V239 R285R218-G241 CarbonylContact O-C 3.54Å; K219-G241 WeakPolarHBondContact CA-O 3.39Å; S220-G241 PolarHBondContact N-O 3.35Å; A237-G241 PolarHBondContact O-N 3.14Å; S238-G241 PolarHBondContact O-N 3.32Å; S238-G241 VanDerWaalsContact O-N 3.14Å; V239-G241 VanDerWaalsContact C-N 3.28Å; V239-G241 PolarHBondContact O-N 3.32Å; G241-R285 VanDerWaalsContact CA-CZ 3.46Å
242S98.2Very high95.6Very high0 Ų025.4 Ų25.40%013%0.128CC..  trans-80.8146.1-177.5-54.30000112.9C217 R218 S221 A237 S238 G244 R285C217-S242 WeakPolarHBondContact CB-OG 3.32Å; R218-S242 PolarHBondContact N-OG 3.23Å; R218-S242 PolarHBondContact O-N 3.47Å; R218-S242 PolarHBondContact O-OG 3.05Å; S221-S242 CarbonylContact O-C 3.51Å; S221-S242 WeakPolarHBondContact O-CA 3.35Å; S221-S242 VanDerWaalsContact O-CB 3.27Å; S221-S242 WeakPolarHBondContact O-CB 3.26Å; S221-S242 WeakPolarHBondContact OG-CB 3.48Å; S221-S242 PolarHBondContact OG-OG 3.03Å; A237-S242 WeakPolarHBondContact O-CB 3.49Å; A237-S242 PolarHBondContact O-N 3.21Å; A237-S242 PolarHBondContact O-OG 2.75Å; S238-S242 VanDerWaalsContact CA-O 3.26Å; S238-S242 WeakPolarHBondContact CA-O 3.42Å; S238-S242 WeakPolarHBondContact CB-O 3.48Å; S238-S242 PolarHBondContact OG-O 3.37Å; S242-G244 PolarHBondContact O-N 2.91Å; S242-R285 WeakPolarHBondContact O-CB 3.35Å
243F98.1Very high95.3Very high67 Ų6726.7 Ų26.729%0.29414%0.135SC..EExtended strand (participates in β ladder)trans-74.4117163.6-63.7-81.9000108.8S221 F222 V223 S284 R285S221-F243 PolarHBondContact O-N 3.02Å; F222-F243 HydrophobicContact CD1-CB 3.75Å; F222-F243 HydrophobicContact CD1-CD2 4.27Å; F222-F243 HydrophobicContact CD1-CG 4.26Å; F222-F243 HydrophobicContact CE1-CB 3.99Å; F222-F243 AromaticContact CE1-CD2 3.94Å; F222-F243 HydrophobicContact CE1-CD2 3.94Å; F222-F243 HydrophobicContact CE1-CG 4.02Å; F222-F243 HydrophobicContact CG-CB 4.5Å; F222-F243 HydrophobicContact CZ-CD2 4.1Å; V223-F243 PolarHBondContact N-O 3.26Å; F243-S284 VanDerWaalsContact CE1-O 3.28Å; F243-S284 WeakPolarHBondContact CE1-O 3.35Å; F243-R285 CarbonylContact C-O 3.59Å; F243-R285 VanDerWaalsContact CA-O 3.27Å; F243-R285 WeakPolarHBondContact CA-O 3.37Å
244G97.6Very high95.1Very high0 Ų026.7 Ų26.70%014%0.135CC..EExtended strand (participates in β ladder)trans-107.4128.7-174.300000112S238 S242 R285 L287S238-G244 PolarHBondContact OG-N 3.34Å; S242-G244 PolarHBondContact O-N 2.91Å; G244-R285 PolarHBondContact N-O 3.1Å; G244-L287 WeakPolarHBondContact O-CB 3.13Å; G244-L287 PolarHBondContact O-N 3.47Å
245G96.3Very high94.7Very high0 Ų030.5 Ų30.50%015%0.153CC..EExtended strand (participates in β ladder)trans-150.4175.5174.500000111.6V223 W224 D225 V234 D288V223-G245 PolarHBondContact O-N 3.14Å; W224-G245 CarbonylContact C-O 3.53Å; W224-G245 VanDerWaalsContact CA-O 3.27Å; W224-G245 WeakPolarHBondContact CA-O 3.49Å; D225-G245 PolarHBondContact N-O 3.04Å; V234-G245 WeakPolarHBondContact CG1-O 3.42Å; G245-D288 WeakPolarHBondContact CA-O 3.31Å
246G95.7Very high94.3Very high0 Ų030.6 Ų30.60%016%0.155CC..EExtended strand (participates in β ladder)trans-177.9-177.8-178.700000114.9W224 D225 I228 D288 V289 M290W224-G246 VanDerWaalsContact CE2-CA 3.44Å; W224-G246 WeakPolarHBondContact CH2-O 3.43Å; W224-G246 WeakPolarHBondContact CZ2-O 3.36Å; W224-G246 VanDerWaalsContact CZ3-N 3.29Å; D225-G246 CarbonylContact O-C 3.44Å; D225-G246 WeakPolarHBondContact O-CA 3.48Å; I228-G246 VanDerWaalsContact CD1-CA 3.49Å; G246-D288 PolarHBondContact N-O 3.33Å; G246-D288 VanDerWaalsContact N-O 3.09Å; G246-V289 CarbonylContact O-C 3.58Å; G246-V289 VanDerWaalsContact O-CA 3.28Å; G246-V289 WeakPolarHBondContact O-CA 3.37Å; G246-M290 PolarHBondContact O-N 3.45Å
247S94.6Very high93.7Very high0 Ų034.7 Ų34.70%018%0.175CC..EExtended strand (participates in β ladder)trans-128.3155.2174.258.20000111.8D225 P226 F227 I228 M290 L297D225-S247 PolarHBondContact O-N 3.26Å; P226-S247 CarbonylContact C-O 3.43Å; P226-S247 WeakPolarHBondContact CA-OG 3.17Å; P226-S247 PolarHBondContact O-OG 2.97Å; F227-S247 WeakPolarHBondContact CA-O 3Å; F227-S247 PolarHBondContact N-O 2.65Å; I228-S247 WeakPolarHBondContact CG2-O 3.46Å; I228-S247 PolarHBondContact N-O 3.43Å; S247-M290 WeakPolarHBondContact CA-O 3.42Å; S247-M290 VanDerWaalsContact CB-O 3.23Å; S247-M290 WeakPolarHBondContact CB-O 3.34Å; S247-L297 WeakPolarHBondContact OG-CD1 3.28Å
248D94Very high93Very high23 Ų2336.4 Ų36.412%0.12319%0.193CC..EExtended strand (participates in β ladder)trans-144.3155.6165.4-150.2-65.3000109I228 G229 D250 L254 M290 V291 A292I228-D248 HydrophobicContact CG2-CB 4.16Å; G229-D248 WeakPolarHBondContact CA-OD2 3.46Å; G229-D248 PolarHBondContact N-OD2 3.42Å; D248-D250 PolarHBondContact OD1-N 2.87Å; D248-L254 HydrophobicContact CB-CD1 3.9Å; D248-L254 HydrophobicContact CB-CD2 3.67Å; D248-L254 HydrophobicContact CB-CG 3.73Å; D248-M290 PolarHBondContact N-O 3.28Å; D248-M290 VanDerWaalsContact N-O 3.14Å; D248-V291 CarbonylContact O-C 3.47Å; D248-V291 VanDerWaalsContact O-CA 3.29Å; D248-V291 WeakPolarHBondContact O-CA 3.41Å; D248-A292 CarbonylContact C-O 3.38Å; D248-A292 PolarHBondContact O-N 2.59Å
249I92.3Very high92.1Very high105 Ų10542 Ų4254%0.53822%0.22SC..SBendtrans-80.5-24.8172.7-161.8169.1000110.9Y251 D293I249-Y251 PolarHBondContact O-N 3.22Å; I249-D293 HydrophobicContact CD1-CB 4.18Å
250D90.5Very high91.2Very high70 Ų7041.2 Ų41.237%0.37422%0.216SC..  trans-83.998.9-180-166.9-24.5000111.8D248 S252 V253 L254D248-D250 PolarHBondContact OD1-N 2.87Å; D250-S252 PolarHBondContact O-N 3.09Å; D250-S252 WeakPolarHBondContact OD1-CA 3.35Å; D250-S252 VanDerWaalsContact OD1-CB 3.25Å; D250-S252 WeakPolarHBondContact OD1-CB 3.42Å; D250-S252 PolarHBondContact OD1-N 3.3Å; D250-V253 HydrophobicContact CB-CB 4.15Å; D250-V253 HydrophobicContact CB-CG2 4.02Å; D250-V253 PolarHBondContact O-N 2.87Å; D250-V253 PolarHBondContact OD1-N 3.3Å; D250-V253 WeakPolarHBondContact OD2-CG2 2.99Å; D250-L254 PolarHBondContact O-N 3.46Å
251Y91.7Very high90.1Very high127 Ų12741.6 Ų41.650%0.49822%0.224SC..Hα-helixtrans-51.8-39.4172.6178.9-91.6000113.2I249 L254 H255 I257 V291I249-Y251 PolarHBondContact O-N 3.22Å; Y251-L254 PolarHBondContact O-N 2.79Å; Y251-H255 AromaticContact CD2-CD2 3.47Å; Y251-H255 VanDerWaalsContact CD2-CD2 3.47Å; Y251-H255 WeakPolarHBondContact CD2-CD2 3.35Å; Y251-H255 AromaticContact CD2-NE2 3.91Å; Y251-H255 AromaticContact CE2-CD2 3.23Å; Y251-H255 WeakPolarHBondContact CE2-CD2 3.46Å; Y251-H255 AromaticContact CE2-NE2 3.56Å; Y251-H255 AromaticContact CG-CD2 3.96Å; Y251-H255 AromaticContact CZ-CD2 3.55Å; Y251-H255 PolarHBondContact O-CD2 3.02Å; Y251-H255 PolarHBondContact O-N 2.85Å; Y251-H255 VanDerWaalsContact O-N 3.11Å; Y251-I257 HydrophobicContact CD1-CD1 3.96Å; Y251-I257 HydrophobicContact CE1-CD1 3.35Å; Y251-V291 HydrophobicContact CD2-CG2 3.74Å
252S90.2Very high89.1Confident52 Ų5243.5 Ų43.536%0.36423%0.23SC..Hα-helixtrans-70.1-39.2-174.7-52.10000111D250 G256 I257D250-S252 PolarHBondContact O-N 3.09Å; D250-S252 WeakPolarHBondContact OD1-CA 3.35Å; D250-S252 VanDerWaalsContact OD1-CB 3.25Å; D250-S252 WeakPolarHBondContact OD1-CB 3.42Å; D250-S252 PolarHBondContact OD1-N 3.3Å; S252-G256 CarbonylContact O-C 3.57Å; S252-G256 PolarHBondContact O-N 2.55Å; S252-I257 PolarHBondContact O-N 3Å
253V89.7Confident87.8Confident35 Ų3548.6 Ų48.621%0.21227%0.272CS..Hα-helixtrans-64.6-49.9175.5174.70000110.5H197 T230 D250 H255 G256H197-V253 PolarHBondContact CE1-O 3.28Å; H197-V253 PolarHBondContact NE2-O 3.13Å; T230-V253 HydrophobicContact CG2-CG1 4.22Å; D250-V253 HydrophobicContact CB-CB 4.15Å; D250-V253 HydrophobicContact CB-CG2 4.02Å; D250-V253 PolarHBondContact O-N 2.87Å; D250-V253 PolarHBondContact OD1-N 3.3Å; D250-V253 WeakPolarHBondContact OD2-CG2 2.99Å; V253-H255 VanDerWaalsContact C-N 3.3Å; V253-H255 PolarHBondContact O-N 3.29Å; V253-G256 PolarHBondContact O-N 3.41Å
254L91.5Very high86.6Confident4 Ų449.8 Ų49.82%0.02130%0.303CS..Hα-helixtrans-59.6-40-177.7-68.9-177.7000113.3I228 D248 D250 Y251 V289 M290 V291I228-L254 HydrophobicContact CG2-CD2 3.39Å; D248-L254 HydrophobicContact CB-CD1 3.9Å; D248-L254 HydrophobicContact CB-CD2 3.67Å; D248-L254 HydrophobicContact CB-CG 3.73Å; D250-L254 PolarHBondContact O-N 3.46Å; Y251-L254 PolarHBondContact O-N 2.79Å; L254-V289 HydrophobicContact CB-CG2 4.36Å; L254-V289 HydrophobicContact CD1-CB 4.47Å; L254-V289 HydrophobicContact CD2-CB 3.99Å; L254-V289 HydrophobicContact CD2-CG1 4.14Å; L254-V289 HydrophobicContact CD2-CG2 4.47Å; L254-M290 WeakPolarHBondContact CD1-O 3.38Å; L254-V291 HydrophobicContact CD1-CB 4.34Å; L254-V291 HydrophobicContact CD1-CG2 3.72Å
255H90.1Very high85.4Confident79 Ų7954 Ų5437%0.36632%0.323SS..THydrogen-bonded Turntrans-98.76.9-176.5-64.5-64.6000114.1Y251 V253 I257Y251-H255 AromaticContact CD2-CD2 3.47Å; Y251-H255 VanDerWaalsContact CD2-CD2 3.47Å; Y251-H255 WeakPolarHBondContact CD2-CD2 3.35Å; Y251-H255 AromaticContact CD2-NE2 3.91Å; Y251-H255 AromaticContact CE2-CD2 3.23Å; Y251-H255 WeakPolarHBondContact CE2-CD2 3.46Å; Y251-H255 AromaticContact CE2-NE2 3.56Å; Y251-H255 AromaticContact CG-CD2 3.96Å; Y251-H255 AromaticContact CZ-CD2 3.55Å; Y251-H255 PolarHBondContact O-CD2 3.02Å; Y251-H255 PolarHBondContact O-N 2.85Å; Y251-H255 VanDerWaalsContact O-N 3.11Å; V253-H255 VanDerWaalsContact C-N 3.3Å; V253-H255 PolarHBondContact O-N 3.29Å; H255-I257 VanDerWaalsContact C-N 3.34Å; H255-I257 HydrophobicContact CB-CD1 3.97Å; H255-I257 HydrophobicContact CB-CG1 4.21Å; H255-I257 PolarHBondContact O-N 3.31Å
256G88.5Confident84.5Confident5 Ų561.4 Ų61.45%0.05236%0.357CS..THydrogen-bonded Turntrans67.633.5175.400000114.4S252 V253 R268 E271S252-G256 CarbonylContact O-C 3.57Å; S252-G256 PolarHBondContact O-N 2.55Å; V253-G256 PolarHBondContact O-N 3.41Å; G256-R268 VanDerWaalsContact C-CD 3.47Å; G256-R268 WeakPolarHBondContact O-CB 3.01Å; G256-R268 WeakPolarHBondContact O-CD 3.44Å; G256-E271 WeakPolarHBondContact CA-O 3.42Å
257I85.1Confident83.5Confident88 Ų8868.8 Ų68.845%0.45139%0.39SS..  trans-96.2137.8-178.6-61.4167.4000108.9Y251 S252 H255Y251-I257 HydrophobicContact CD1-CD1 3.96Å; Y251-I257 HydrophobicContact CE1-CD1 3.35Å; S252-I257 PolarHBondContact O-N 3Å; H255-I257 VanDerWaalsContact C-N 3.34Å; H255-I257 HydrophobicContact CB-CD1 3.97Å; H255-I257 HydrophobicContact CB-CG1 4.21Å; H255-I257 PolarHBondContact O-N 3.31Å
258G83.4Confident82.7Confident36 Ų3670.4 Ų70.437%0.37140%0.396SS..SBendtrans108.2-156.917900000112.9K267 R268G258-K267 WeakPolarHBondContact O-CA 3.32Å; G258-R268 WeakPolarHBondContact O-CG 3.5Å; G258-R268 PolarHBondContact O-N 3.44Å
259M78.3Confident81.9Confident118 Ų11875 Ų7558%0.58143%0.428SS*.BIsolated β-bridgetrans-80.5144.2-173.9-61.5-60.2-69.300111.8E266 K267 R268M259-E266 HydrophobicContact CE-CB 4.42Å; M259-E266 WeakPolarHBondContact CE-O 3.19Å; M259-K267 HydrophobicContact SD-CG 3.92Å; M259-R268 PolarHBondContact O-NE 3.19Å
260S76.8Confident81.4Confident11 Ų1173 Ų738%0.07743%0.434CS..  trans-74.6136.6166.6178.20000109K262 Q265 E266S260-K262 PolarHBondContact O-N 3.08Å; S260-K262 WeakPolarHBondContact OG-CB 3.46Å; S260-K262 PolarHBondContact OG-N 3.01Å; S260-Q265 PolarHBondContact OG-OE1 2.9Å; S260-E266 PolarHBondContact N-O 2.94Å
261P73.8Confident81.3Confident48 Ų4870.9 Ų70.931%0.31242%0.421SS..  trans-76-6.8172.533-35.9000112.6L198 N200L198-P261 HydrophobicContact CB-CG 4.04Å; L198-P261 HydrophobicContact CD2-CG 4.21Å; L198-P261 HydrophobicContact CG-CG 4.09Å; L198-P261 VanDerWaalsContact O-CD 3.32Å; L198-P261 WeakPolarHBondContact O-CD 3.47Å; L198-P261 VanDerWaalsContact O-CG 3.29Å; L198-P261 WeakPolarHBondContact O-CG 3.16Å; N200-P261 WeakPolarHBondContact OD1-CB 3.29Å
262K74Confident81.4Confident46 Ų4666.6 Ų66.620%0.241%0.408CS..SBendtrans-73.4134.7-179.2-66.8175.9-175.2153.80110.3R195 A196 L198 S260 G264 Q265R195-K262 WeakPolarHBondContact O-CE 3.45Å; R195-K262 PolarHBondContact O-NZ 2.91Å; A196-K262 PolarHBondContact O-NZ 3.24Å; L198-K262 HydrophobicContact CD2-CG 4.48Å; S260-K262 PolarHBondContact O-N 3.08Å; S260-K262 WeakPolarHBondContact OG-CB 3.46Å; S260-K262 PolarHBondContact OG-N 3.01Å; K262-G264 PolarHBondContact O-N 3.43Å; K262-Q265 HydrophobicContact CB-CB 4.32Å; K262-Q265 HydrophobicContact CB-CG 4.14Å; K262-Q265 PolarHBondContact O-N 3.32Å; K262-Q265 VanDerWaalsContact O-N 3.14Å
263A71.7Confident81.6Confident107 Ų10764.2 Ų64.288%0.88439%0.392SS*.THydrogen-bonded Turntrans-57.3130.1178.200000111Q265A263-Q265 VanDerWaalsContact C-N 3.29Å; A263-Q265 PolarHBondContact O-N 3.16Å
264G73.7Confident81.9Confident91 Ų9167.7 Ų67.794%0.93840%0.401SS*.THydrogen-bonded Turntrans79.72.9178.900000115.3K262K262-G264 PolarHBondContact O-N 3.43Å
265Q71.4Confident82Confident88 Ų8868.4 Ų68.441%0.41141%0.407SS..  trans-100.9145.4171.5-67.7-163.6-28.700111.6S260 K262 A263S260-Q265 PolarHBondContact OG-OE1 2.9Å; K262-Q265 HydrophobicContact CB-CB 4.32Å; K262-Q265 HydrophobicContact CB-CG 4.14Å; K262-Q265 PolarHBondContact O-N 3.32Å; K262-Q265 VanDerWaalsContact O-N 3.14Å; A263-Q265 VanDerWaalsContact C-N 3.29Å; A263-Q265 PolarHBondContact O-N 3.16Å
266E76.9Confident82.3Confident156 Ų15664.7 Ų64.773%0.72939%0.389SS*.  trans-91.7-117.2178.2-61.7-173.5170.200111.1M259 S260M259-E266 HydrophobicContact CE-CB 4.42Å; M259-E266 WeakPolarHBondContact CE-O 3.19Å; S260-E266 PolarHBondContact N-O 2.94Å
267K76.4Confident82.7Confident156 Ų15664.4 Ų64.468%0.67839%0.387SS*.BIsolated β-bridgetrans-75.5144.8175.2-70.3-179.9-179.8176.10110.1G258 M259G258-K267 WeakPolarHBondContact O-CA 3.32Å; M259-K267 HydrophobicContact SD-CG 3.92Å
268R77.8Confident83.3Confident34 Ų3464.9 Ų64.913%0.12839%0.387CS..  trans-60.1137.9169.5-64.7174.2-173.3-128.12.3109.7H197 L198 G256 G258 M259 E271H197-R268 PolarHBondContact CE1-NH1 2.78Å; H197-R268 PolarHBondContact ND1-NH1 3Å; L198-R268 PolarHBondContact O-NH1 3.2Å; L198-R268 PolarHBondContact O-NH2 2.92Å; G256-R268 VanDerWaalsContact C-CD 3.47Å; G256-R268 WeakPolarHBondContact O-CB 3.01Å; G256-R268 WeakPolarHBondContact O-CD 3.44Å; G258-R268 WeakPolarHBondContact O-CG 3.5Å; G258-R268 PolarHBondContact O-N 3.44Å; M259-R268 PolarHBondContact O-NE 3.19Å; R268-E271 HydrophobicContact CB-CB 4.4Å
269C76Confident83.9Confident118 Ų11866.8 Ų66.880%0.79739%0.386SS*.SBendtrans-121.889.4176.7-76.30000109.5E271C269-E271 PolarHBondContact O-N 2.58Å
270G82.8Confident84.8Confident64 Ų6462.3 Ų62.366%0.6636%0.363SS*.SBendtrans76.51.5177.100000115.6T272G270-T272 PolarHBondContact O-N 2.94Å; G270-T272 VanDerWaalsContact O-N 3.11Å
271E87.4Confident85.7Confident25 Ų2570.1 Ų70.112%0.11740%0.396CS..  trans-66.8106.3177.6-64.9177.2-174.700110.8A196 H197 G256 R268 C269A196-E271 WeakPolarHBondContact O-CG 3.48Å; H197-E271 HydrophobicContact CB-CB 4.03Å; H197-E271 PolarHBondContact ND1-O 3.34Å; G256-E271 WeakPolarHBondContact CA-O 3.42Å; R268-E271 HydrophobicContact CB-CB 4.4Å; C269-E271 PolarHBondContact O-N 2.58Å
272T93.4Very high86.9Confident37 Ų3768.4 Ų68.423%0.22738%0.384CS..  trans-128.8172.1176.859.30000111.4H197 G270 R274 S275 N276H197-T272 WeakPolarHBondContact CB-O 3.49Å; G270-T272 PolarHBondContact O-N 2.94Å; G270-T272 VanDerWaalsContact O-N 3.11Å; T272-R274 PolarHBondContact O-N 2.83Å; T272-R274 PolarHBondContact OG1-N 2.9Å; T272-S275 PolarHBondContact N-OG 3.2Å; T272-S275 PolarHBondContact O-N 3.21Å; T272-S275 VanDerWaalsContact O-N 3.1Å; T272-S275 PolarHBondContact O-OG 2.94Å; T272-S275 PolarHBondContact OG1-N 2.72Å; T272-N276 PolarHBondContact O-N 3.03Å
273L95Very high88Confident3 Ų370.1 Ų70.12%0.01639%0.393CS..Hα-helixtrans-54.8-40.8168.6-178.556.1000112I228 V234 I235 S275 N276 Y277 Y286 V289I228-L273 HydrophobicContact CD1-CD2 3.6Å; I228-L273 HydrophobicContact CG1-CD2 4.22Å; V234-L273 HydrophobicContact CG2-CD2 4.2Å; I235-L273 HydrophobicContact CD1-CD1 3.78Å; I235-L273 HydrophobicContact CG1-CD1 4.03Å; L273-S275 VanDerWaalsContact C-N 3.29Å; L273-S275 PolarHBondContact O-N 3.15Å; L273-N276 HydrophobicContact CD1-CB 4.46Å; L273-N276 WeakPolarHBondContact O-CB 3.49Å; L273-N276 PolarHBondContact O-N 2.96Å; L273-Y277 HydrophobicContact CD1-CD2 3.87Å; L273-Y277 HydrophobicContact CD1-CE2 3.72Å; L273-Y277 HydrophobicContact CD2-CE2 4.24Å; L273-Y277 HydrophobicContact CG-CD2 3.95Å; L273-Y277 HydrophobicContact CG-CE2 3.87Å; L273-Y277 WeakPolarHBondContact O-CD2 3.27Å; L273-Y277 PolarHBondContact O-N 3.31Å; L273-Y277 VanDerWaalsContact O-N 3.07Å; L273-Y286 HydrophobicContact CB-CE2 4.34Å; L273-Y286 HydrophobicContact CD2-CE2 4.03Å; L273-Y286 HydrophobicContact CG-CD2 4.48Å; L273-Y286 HydrophobicContact CG-CE2 3.93Å; L273-V289 HydrophobicContact CB-CG1 4.39Å; L273-V289 HydrophobicContact CD2-CG1 3.62Å
274R95.3Very high89.2Confident107 Ų10769.7 Ų69.740%0.40438%0.383SS..Hα-helixtrans-57.5-41.4176.2-176176-70.5-86.95.4112T272 N276 Y277 E278 Y286T272-R274 PolarHBondContact O-N 2.83Å; T272-R274 PolarHBondContact OG1-N 2.9Å; R274-N276 VanDerWaalsContact C-N 3.3Å; R274-N276 PolarHBondContact O-N 2.79Å; R274-Y277 WeakPolarHBondContact O-CA 3.49Å; R274-Y277 WeakPolarHBondContact O-CB 3.27Å; R274-Y277 PolarHBondContact O-N 2.81Å; R274-E278 WeakPolarHBondContact O-CG 3.4Å; R274-E278 PolarHBondContact O-N 2.97Å; R274-Y286 HydrophobicContact CB-CE2 4.38Å; R274-Y286 VanDerWaalsContact CZ-CE1 3.47Å
275S94.4Very high90.3Very high20 Ų2068.8 Ų68.814%0.1435%0.351CS..Hα-helixtrans-63.1-32.4175.372.70000113.6T272 L273 E278 Q279T272-S275 PolarHBondContact N-OG 3.2Å; T272-S275 PolarHBondContact O-N 3.21Å; T272-S275 VanDerWaalsContact O-N 3.1Å; T272-S275 PolarHBondContact O-OG 2.94Å; T272-S275 PolarHBondContact OG1-N 2.72Å; L273-S275 VanDerWaalsContact C-N 3.29Å; L273-S275 PolarHBondContact O-N 3.15Å; S275-E278 PolarHBondContact O-N 2.87Å; S275-Q279 WeakPolarHBondContact O-CB 3.23Å; S275-Q279 PolarHBondContact O-N 2.98Å
276N95.8Very high91.6Very high0 Ų065.9 Ų65.90%034%0.336CS..Hα-helixtrans-66.8-42.7170.9-74.1-20.4000111.3R195 A196 H197 I235 T272 L273 R274 E278 Q279 Y280R195-N276 WeakPolarHBondContact CG-OD1 3.42Å; A196-N276 PolarHBondContact N-OD1 3Å; H197-N276 PolarHBondContact N-OD1 2.85Å; H197-N276 PolarHBondContact O-ND2 2.8Å; I235-N276 HydrophobicContact CD1-CB 3.7Å; T272-N276 PolarHBondContact O-N 3.03Å; L273-N276 HydrophobicContact CD1-CB 4.46Å; L273-N276 WeakPolarHBondContact O-CB 3.49Å; L273-N276 PolarHBondContact O-N 2.96Å; R274-N276 VanDerWaalsContact C-N 3.3Å; R274-N276 PolarHBondContact O-N 2.79Å; N276-E278 VanDerWaalsContact C-N 3.3Å; N276-E278 PolarHBondContact O-N 3.04Å; N276-Q279 PolarHBondContact O-N 3.41Å; N276-Y280 HydrophobicContact CB-CD2 4.42Å; N276-Y280 HydrophobicContact CB-CE2 4.24Å; N276-Y280 WeakPolarHBondContact O-CD2 3.16Å; N276-Y280 PolarHBondContact O-N 2.69Å
277Y97.6Very high92.5Very high0 Ų061.7 Ų61.70%032%0.319CS..Hα-helixtrans-61.2-40.8176.1-88.3-104.7000111.2V234 I235 S238 L273 R274 Y280 K281 L282 R285 Y286V234-Y277 HydrophobicContact CG2-CE2 4.45Å; V234-Y277 PolarHBondContact O-OH 2.99Å; I235-Y277 HydrophobicContact CG1-CD2 4.1Å; I235-Y277 HydrophobicContact CG1-CE2 3.67Å; S238-Y277 WeakPolarHBondContact OG-CE1 3.36Å; S238-Y277 PolarHBondContact OG-OH 3.27Å; L273-Y277 HydrophobicContact CD1-CD2 3.87Å; L273-Y277 HydrophobicContact CD1-CE2 3.72Å; L273-Y277 HydrophobicContact CD2-CE2 4.24Å; L273-Y277 HydrophobicContact CG-CD2 3.95Å; L273-Y277 HydrophobicContact CG-CE2 3.87Å; L273-Y277 WeakPolarHBondContact O-CD2 3.27Å; L273-Y277 PolarHBondContact O-N 3.31Å; L273-Y277 VanDerWaalsContact O-N 3.07Å; R274-Y277 WeakPolarHBondContact O-CA 3.49Å; R274-Y277 WeakPolarHBondContact O-CB 3.27Å; R274-Y277 PolarHBondContact O-N 2.81Å; Y277-Y280 PolarHBondContact O-N 3.2Å; Y277-K281 PolarHBondContact O-N 2.89Å; Y277-K281 VanDerWaalsContact O-N 3.08Å; Y277-L282 HydrophobicContact CD1-CB 3.6Å; Y277-L282 VanDerWaalsContact CD1-O 3.31Å; Y277-L282 WeakPolarHBondContact CD1-O 3.27Å; Y277-L282 HydrophobicContact CE1-CB 4.13Å; Y277-L282 HydrophobicContact CG-CB 4.29Å; Y277-L282 PolarHBondContact O-N 3.25Å; Y277-R285 HydrophobicContact CE1-CB 4.46Å; Y277-Y286 HydrophobicContact CD1-CD2 4.17Å; Y277-Y286 HydrophobicContact CD1-CG 4.4Å; Y277-Y286 AromaticContact CD2-CD2 3.66Å; Y277-Y286 HydrophobicContact CD2-CD2 3.66Å; Y277-Y286 HydrophobicContact CD2-CE2 4.42Å; Y277-Y286 HydrophobicContact CE1-CD2 4.4Å; Y277-Y286 AromaticContact CE2-CD2 3.88Å; Y277-Y286 HydrophobicContact CE2-CD2 3.88Å; Y277-Y286 AromaticContact CG-CD2 3.82Å; Y277-Y286 HydrophobicContact CG-CD2 3.82Å; Y277-Y286 HydrophobicContact CG-CG 4.34Å
278E96.9Very high93.4Very high97 Ų9758 Ų5845%0.45331%0.307SS..Hα-helixtrans-61.5-50.8173.3-71.7166.6-169.400112.4R274 S275 N276 Y280 K281 E283R274-E278 WeakPolarHBondContact O-CG 3.4Å; R274-E278 PolarHBondContact O-N 2.97Å; S275-E278 PolarHBondContact O-N 2.87Å; N276-E278 VanDerWaalsContact C-N 3.3Å; N276-E278 PolarHBondContact O-N 3.04Å; E278-Y280 PolarHBondContact O-N 3.48Å; E278-K281 PolarHBondContact O-N 2.72Å; E278-E283 VanDerWaalsContact CA-CD 3.46Å; E278-E283 WeakPolarHBondContact CA-OE1 3.18Å; E278-E283 HydrophobicContact CB-CG 4.13Å; E278-E283 HydrophobicContact CG-CG 3.5Å; E278-E283 VanDerWaalsContact CG-CG 3.5Å
279Q96.1Very high94.2Very high76 Ų7657.6 Ų57.636%0.35531%0.308SS..Hα-helixtrans-52.7-42.4177.2177-178.5300112.2E194 S275 N276E194-Q279 PolarHBondContact O-NE2 3.33Å; S275-Q279 WeakPolarHBondContact O-CB 3.23Å; S275-Q279 PolarHBondContact O-N 2.98Å; N276-Q279 PolarHBondContact O-N 3.41Å
280Y96.8Very high95.1Very high24 Ų2455.9 Ų55.99%0.09429%0.289CS..THydrogen-bonded Turntrans-91.54.8-176.5-59.5-48.6000114.1D189 Y190 R195 I235 N276 Y277 E278 L282D189-Y280 WeakPolarHBondContact O-CE1 3.48Å; Y190-Y280 AromaticContact CD1-CD1 3.64Å; Y190-Y280 HydrophobicContact CD1-CD1 3.64Å; Y190-Y280 AromaticContact CD1-CD2 3.92Å; Y190-Y280 HydrophobicContact CD1-CD2 3.92Å; Y190-Y280 AromaticContact CD1-CE1 3.75Å; Y190-Y280 HydrophobicContact CD1-CE1 3.75Å; Y190-Y280 HydrophobicContact CD1-CE2 4.01Å; Y190-Y280 AromaticContact CD1-CG 3.74Å; Y190-Y280 HydrophobicContact CD1-CG 3.74Å; Y190-Y280 AromaticContact CD1-CZ 3.93Å; Y190-Y280 AromaticContact CE1-CD1 3.7Å; Y190-Y280 HydrophobicContact CE1-CD1 3.7Å; Y190-Y280 HydrophobicContact CE1-CD2 4Å; Y190-Y280 HydrophobicContact CE1-CE1 4.3Å; Y190-Y280 AromaticContact CE1-CG 3.55Å; Y190-Y280 HydrophobicContact CE1-CG 3.55Å; Y190-Y280 HydrophobicContact CG-CE1 4.46Å; R195-Y280 WeakPolarHBondContact CB-OH 3.3Å; R195-Y280 HydrophobicContact CG-CE2 4.5Å; R195-Y280 PolarHBondContact NE-OH 3.3Å; I235-Y280 HydrophobicContact CD1-CE2 4.38Å; I235-Y280 HydrophobicContact CG2-CD2 3.99Å; I235-Y280 HydrophobicContact CG2-CE2 4.21Å; N276-Y280 HydrophobicContact CB-CD2 4.42Å; N276-Y280 HydrophobicContact CB-CE2 4.24Å; N276-Y280 WeakPolarHBondContact O-CD2 3.16Å; N276-Y280 PolarHBondContact O-N 2.69Å; Y277-Y280 PolarHBondContact O-N 3.2Å; E278-Y280 PolarHBondContact O-N 3.48Å; Y280-L282 VanDerWaalsContact C-N 3.27Å; Y280-L282 PolarHBondContact O-N 3.06Å
281K97.4Very high95.6Very high176 Ų17656 Ų5677%0.76528%0.277SS*.THydrogen-bonded Turntrans57.438.6-177.6-54.8178.6-178.4177.60113.1Y277 E278 E283Y277-K281 PolarHBondContact O-N 2.89Å; Y277-K281 VanDerWaalsContact O-N 3.08Å; E278-K281 PolarHBondContact O-N 2.72Å; K281-E283 WeakPolarHBondContact CA-OE2 3.42Å
282L97.6Very high95.8Very high11 Ų1155.5 Ų55.56%0.05828%0.277CS..  trans-108.23.6-178.2-64.8176.8000112.7Y190 I235 V239 Y277 Y280 S284 R285Y190-L282 HydrophobicContact CE1-CD1 4.34Å; I235-L282 HydrophobicContact CG2-CD1 4.21Å; V239-L282 HydrophobicContact CG2-CD1 4.19Å; Y277-L282 HydrophobicContact CD1-CB 3.6Å; Y277-L282 VanDerWaalsContact CD1-O 3.31Å; Y277-L282 WeakPolarHBondContact CD1-O 3.27Å; Y277-L282 HydrophobicContact CE1-CB 4.13Å; Y277-L282 HydrophobicContact CG-CB 4.29Å; Y277-L282 PolarHBondContact O-N 3.25Å; Y280-L282 VanDerWaalsContact C-N 3.27Å; Y280-L282 PolarHBondContact O-N 3.06Å; L282-S284 PolarHBondContact O-N 3.04Å; L282-R285 WeakPolarHBondContact O-CA 3.23Å; L282-R285 VanDerWaalsContact O-CB 3.31Å; L282-R285 WeakPolarHBondContact O-CB 3.15Å; L282-R285 PolarHBondContact O-N 3.29Å
283E97.1Very high95.6Very high83 Ų8357.2 Ų57.239%0.38829%0.285SS..G310 helixtrans-50.8-37.4-171.8-55.494.2135.300113.4E278 K281 R285 Y286E278-E283 VanDerWaalsContact CA-CD 3.46Å; E278-E283 WeakPolarHBondContact CA-OE1 3.18Å; E278-E283 HydrophobicContact CB-CG 4.13Å; E278-E283 HydrophobicContact CG-CG 3.5Å; E278-E283 VanDerWaalsContact CG-CG 3.5Å; K281-E283 WeakPolarHBondContact CA-OE2 3.42Å; E283-R285 PolarHBondContact O-N 3.29Å; E283-Y286 WeakPolarHBondContact O-CB 3.44Å; E283-Y286 PolarHBondContact O-N 2.92Å; E283-Y286 VanDerWaalsContact O-N 3.07Å
284S97.3Very high95.3Very high97 Ų9759.2 Ų59.268%0.67830%0.295SS*.G310 helixtrans-60-12175.360.90000114.5F243 L282F243-S284 VanDerWaalsContact CE1-O 3.28Å; F243-S284 WeakPolarHBondContact CE1-O 3.35Å; L282-S284 PolarHBondContact O-N 3.04Å
285R97.8Very high94.8Very high73 Ų7359 Ų5928%0.27531%0.306SS..G310 helixtrans-116.52.5-178-58.2178.7-173.1-178.8-1.4112.5S238 V239 G241 S242 F243 G244 Y277 L282 E283 L287S238-R285 WeakPolarHBondContact O-CD 3.38Å; S238-R285 PolarHBondContact O-NH1 2.99Å; V239-R285 PolarHBondContact O-NH1 3.41Å; V239-R285 VanDerWaalsContact O-NH1 3.16Å; G241-R285 VanDerWaalsContact CA-CZ 3.46Å; S242-R285 WeakPolarHBondContact O-CB 3.35Å; F243-R285 CarbonylContact C-O 3.59Å; F243-R285 VanDerWaalsContact CA-O 3.27Å; F243-R285 WeakPolarHBondContact CA-O 3.37Å; G244-R285 PolarHBondContact N-O 3.1Å; Y277-R285 HydrophobicContact CE1-CB 4.46Å; L282-R285 WeakPolarHBondContact O-CA 3.23Å; L282-R285 VanDerWaalsContact O-CB 3.31Å; L282-R285 WeakPolarHBondContact O-CB 3.15Å; L282-R285 PolarHBondContact O-N 3.29Å; E283-R285 PolarHBondContact O-N 3.29Å; R285-L287 PolarHBondContact O-N 2.96Å
286Y98Very high94.3Very high26 Ų2661.9 Ų61.910%0.10233%0.326CS..EExtended strand (participates in β ladder)trans-76.2119.5174.1180-95.1000109.1L273 R274 Y277 E283 D288 V289L273-Y286 HydrophobicContact CB-CE2 4.34Å; L273-Y286 HydrophobicContact CD2-CE2 4.03Å; L273-Y286 HydrophobicContact CG-CD2 4.48Å; L273-Y286 HydrophobicContact CG-CE2 3.93Å; R274-Y286 HydrophobicContact CB-CE2 4.38Å; R274-Y286 VanDerWaalsContact CZ-CE1 3.47Å; Y277-Y286 HydrophobicContact CD1-CD2 4.17Å; Y277-Y286 HydrophobicContact CD1-CG 4.4Å; Y277-Y286 AromaticContact CD2-CD2 3.66Å; Y277-Y286 HydrophobicContact CD2-CD2 3.66Å; Y277-Y286 HydrophobicContact CD2-CE2 4.42Å; Y277-Y286 HydrophobicContact CE1-CD2 4.4Å; Y277-Y286 AromaticContact CE2-CD2 3.88Å; Y277-Y286 HydrophobicContact CE2-CD2 3.88Å; Y277-Y286 AromaticContact CG-CD2 3.82Å; Y277-Y286 HydrophobicContact CG-CD2 3.82Å; Y277-Y286 HydrophobicContact CG-CG 4.34Å; E283-Y286 WeakPolarHBondContact O-CB 3.44Å; E283-Y286 PolarHBondContact O-N 2.92Å; E283-Y286 VanDerWaalsContact O-N 3.07Å; Y286-D288 HydrophobicContact CE1-CB 4.2Å; Y286-D288 VanDerWaalsContact CE1-OD1 3.27Å; Y286-D288 WeakPolarHBondContact CE1-OD1 3.31Å; Y286-D288 PolarHBondContact OH-OD1 2.84Å; Y286-V289 PolarHBondContact OH-N 2.8Å
287L95.5Very high93.7Very high68 Ų6862.4 Ų62.436%0.35633%0.328SS..EExtended strand (participates in β ladder)trans-81.5-85.1175.4-178.263.1000109.6W224 G244 R285 F309W224-L287 HydrophobicContact CE3-CD2 4.14Å; W224-L287 HydrophobicContact CZ3-CD2 4.03Å; G244-L287 WeakPolarHBondContact O-CB 3.13Å; G244-L287 PolarHBondContact O-N 3.47Å; R285-L287 PolarHBondContact O-N 2.96Å; L287-F309 HydrophobicContact CD2-CE1 3.98Å
288D94.9Very high92.6Very high80 Ų8070.8 Ų70.843%0.42836%0.36SS..EExtended strand (participates in β ladder)trans-172.7179.2160-140.3-25.6000110.7G245 G246 Y286G245-D288 WeakPolarHBondContact CA-O 3.31Å; G246-D288 PolarHBondContact N-O 3.33Å; G246-D288 VanDerWaalsContact N-O 3.09Å; Y286-D288 HydrophobicContact CE1-CB 4.2Å; Y286-D288 VanDerWaalsContact CE1-OD1 3.27Å; Y286-D288 WeakPolarHBondContact CE1-OD1 3.31Å; Y286-D288 PolarHBondContact OH-OD1 2.84Å
289V95.4Very high91.4Very high25 Ų2573.4 Ų73.415%0.15237%0.37CS..EExtended strand (participates in β ladder)trans-110.1149.1168.1-61.10000111.8I228 G246 L254 L273 Y286I228-V289 HydrophobicContact CD1-CG1 4.2Å; G246-V289 CarbonylContact O-C 3.58Å; G246-V289 VanDerWaalsContact O-CA 3.28Å; G246-V289 WeakPolarHBondContact O-CA 3.37Å; L254-V289 HydrophobicContact CB-CG2 4.36Å; L254-V289 HydrophobicContact CD1-CB 4.47Å; L254-V289 HydrophobicContact CD2-CB 3.99Å; L254-V289 HydrophobicContact CD2-CG1 4.14Å; L254-V289 HydrophobicContact CD2-CG2 4.47Å; L273-V289 HydrophobicContact CB-CG1 4.39Å; L273-V289 HydrophobicContact CD2-CG1 3.62Å; Y286-V289 PolarHBondContact OH-N 2.8Å
290M93.6Very high90.3Very high81 Ų8173.4 Ų73.440%0.39937%0.369SS..EExtended strand (participates in β ladder)trans-129.4133.4174.2-178.8-176.4-66.500111G246 S247 D248 L254 A292 L297G246-M290 PolarHBondContact O-N 3.45Å; S247-M290 WeakPolarHBondContact CA-O 3.42Å; S247-M290 VanDerWaalsContact CB-O 3.23Å; S247-M290 WeakPolarHBondContact CB-O 3.34Å; D248-M290 PolarHBondContact N-O 3.28Å; D248-M290 VanDerWaalsContact N-O 3.14Å; L254-M290 WeakPolarHBondContact CD1-O 3.38Å; M290-A292 HydrophobicContact CG-CB 4.08Å; M290-A292 PolarHBondContact O-N 2.85Å; M290-A292 HydrophobicContact SD-CB 4.08Å; M290-L297 HydrophobicContact SD-CD2 4.17Å
291V94Very high89.3Confident68 Ų6873.7 Ų73.741%0.41237%0.372SS..EExtended strand (participates in β ladder)trans-77111.4167.9-176.80000107.8D248 Y251 L254D248-V291 CarbonylContact O-C 3.47Å; D248-V291 VanDerWaalsContact O-CA 3.29Å; D248-V291 WeakPolarHBondContact O-CA 3.41Å; Y251-V291 HydrophobicContact CD2-CG2 3.74Å; L254-V291 HydrophobicContact CD1-CB 4.34Å; L254-V291 HydrophobicContact CD1-CG2 3.72Å
292A92.2Very high88Confident14 Ų1474.8 Ų74.812%0.11637%0.371CS..  trans-157.1145.4-178.300000112.6D248 M290 L297D248-A292 CarbonylContact C-O 3.38Å; D248-A292 PolarHBondContact O-N 2.59Å; M290-A292 HydrophobicContact CG-CB 4.08Å; M290-A292 PolarHBondContact O-N 2.85Å; M290-A292 HydrophobicContact SD-CB 4.08Å; A292-L297 HydrophobicContact CB-CD1 3.88Å; A292-L297 HydrophobicContact CB-CD2 3.74Å; A292-L297 HydrophobicContact CB-CG 3.88Å
293D89.6Confident86.5Confident73 Ų7379.4 Ų79.439%0.3939%0.394SS..  trans-77122.4162.8-179.7-10.4000109I249 V295 S296 L297I249-D293 HydrophobicContact CD1-CB 4.18Å; D293-V295 PolarHBondContact O-N 3.35Å; D293-V295 VanDerWaalsContact O-N 3.09Å; D293-V295 WeakPolarHBondContact OD1-CB 3.15Å; D293-V295 WeakPolarHBondContact OD1-CG2 3.29Å; D293-V295 PolarHBondContact OD1-N 3.07Å; D293-S296 WeakPolarHBondContact O-CA 3.07Å; D293-S296 VanDerWaalsContact O-CB 3.3Å; D293-S296 WeakPolarHBondContact O-CB 3.42Å; D293-S296 PolarHBondContact O-N 3.09Å; D293-S296 PolarHBondContact O-OG 2.88Å; D293-L297 PolarHBondContact O-N 3.31Å
294I87Confident84.5Confident45 Ų4579.1 Ų79.123%0.23140%0.4CS..THydrogen-bonded Turntrans-51.6-32.6176.5-172.948.3000113.6P226 F227 S296 L297 L301P226-I294 HydrophobicContact CB-CD1 3.25Å; P226-I294 HydrophobicContact CB-CG1 3.9Å; P226-I294 HydrophobicContact CG-CD1 4.17Å; F227-I294 HydrophobicContact CE1-CG2 4.03Å; F227-I294 HydrophobicContact CE2-CG1 4.37Å; F227-I294 HydrophobicContact CE2-CG2 4.46Å; F227-I294 HydrophobicContact CZ-CB 4.22Å; F227-I294 HydrophobicContact CZ-CG1 4.36Å; F227-I294 HydrophobicContact CZ-CG2 3.66Å; I294-S296 PolarHBondContact O-N 3.01Å; I294-L297 HydrophobicContact CD1-CB 4.2Å; I294-L297 HydrophobicContact CD1-CD1 4.25Å; I294-L297 PolarHBondContact O-N 3.44Å; I294-L297 VanDerWaalsContact O-N 3.07Å; I294-L301 HydrophobicContact CD1-CD1 3.36Å
295V85.1Confident82.9Confident103 Ų10384.2 Ų84.262%0.62441%0.413SS*.THydrogen-bonded Turntrans-64.3-31177.8-179.30000110.9D293D293-V295 PolarHBondContact O-N 3.35Å; D293-V295 VanDerWaalsContact O-N 3.09Å; D293-V295 WeakPolarHBondContact OD1-CB 3.15Å; D293-V295 WeakPolarHBondContact OD1-CG2 3.29Å; D293-V295 PolarHBondContact OD1-N 3.07Å
296S85Confident81.4Confident80 Ų8084.6 Ų84.656%0.55944%0.439SS*.G310 helixtrans-76.7-26.2175.179.20000112.9D293 I294 R298D293-S296 WeakPolarHBondContact O-CA 3.07Å; D293-S296 VanDerWaalsContact O-CB 3.3Å; D293-S296 WeakPolarHBondContact O-CB 3.42Å; D293-S296 PolarHBondContact O-N 3.09Å; D293-S296 PolarHBondContact O-OG 2.88Å; I294-S296 PolarHBondContact O-N 3.01Å; S296-R298 VanDerWaalsContact C-N 3.28Å; S296-R298 PolarHBondContact O-N 2.9Å
297L82.1Confident80.4Confident11 Ų1184.7 Ų84.76%0.05845%0.448CS..G310 helixtrans-79.2-1.3-176.2-63.9-177.2000114.9S247 M290 A292 D293 I294 K299 F300 L301S247-L297 WeakPolarHBondContact OG-CD1 3.28Å; M290-L297 HydrophobicContact SD-CD2 4.17Å; A292-L297 HydrophobicContact CB-CD1 3.88Å; A292-L297 HydrophobicContact CB-CD2 3.74Å; A292-L297 HydrophobicContact CB-CG 3.88Å; D293-L297 PolarHBondContact O-N 3.31Å; I294-L297 HydrophobicContact CD1-CB 4.2Å; I294-L297 HydrophobicContact CD1-CD1 4.25Å; I294-L297 PolarHBondContact O-N 3.44Å; I294-L297 VanDerWaalsContact O-N 3.07Å; L297-K299 PolarHBondContact O-N 3.45Å; L297-F300 HydrophobicContact CD2-CB 4.46Å; L297-F300 WeakPolarHBondContact O-CB 3.38Å; L297-F300 PolarHBondContact O-N 3.46Å; L297-L301 HydrophobicContact CB-CD1 4.21Å; L297-L301 HydrophobicContact CB-CG 4.18Å; L297-L301 PolarHBondContact O-N 2.83Å
298R75.1Confident79.8Confident175 Ų17586 Ų8666%0.6646%0.455SS*.G310 helixtrans-48.8-33.6-178.962.4-176.6175.4169-2.4114.9S296 R302S296-R298 VanDerWaalsContact C-N 3.28Å; S296-R298 PolarHBondContact O-N 2.9Å; R298-R302 WeakPolarHBondContact O-CB 3.42Å; R298-R302 WeakPolarHBondContact O-CG 3.31Å
299K71.7Confident79.5Confident153 Ų15383.4 Ų83.467%0.66544%0.44SS*.THydrogen-bonded Turntrans-77-43.8177-69.1-175.4178.8-1790111.4L297 R302 I303L297-K299 PolarHBondContact O-N 3.45Å; K299-R302 PolarHBondContact O-N 2.86Å; K299-I303 WeakPolarHBondContact O-CB 3.39Å; K299-I303 PolarHBondContact O-N 2.91Å
300F73.1Confident79.4Confident76 Ų7686.8 Ų86.833%0.33346%0.457SS..THydrogen-bonded Turntrans-64.6-44.2-179179.2-104.6000112.3W224 L297 R302 L308 F309W224-F300 HydrophobicContact CH2-CE1 4.48Å; W224-F300 HydrophobicContact CZ2-CE1 4.18Å; L297-F300 HydrophobicContact CD2-CB 4.46Å; L297-F300 WeakPolarHBondContact O-CB 3.38Å; L297-F300 PolarHBondContact O-N 3.46Å; F300-R302 VanDerWaalsContact C-N 3.27Å; F300-R302 PolarHBondContact O-N 2.69Å; F300-L308 HydrophobicContact CE2-CD2 4.11Å; F300-L308 HydrophobicContact CZ-CD2 3.9Å; F300-F309 HydrophobicContact CD1-CE2 4.29Å; F300-F309 AromaticContact CE1-CE2 3.56Å; F300-F309 HydrophobicContact CE1-CE2 3.56Å; F300-F309 AromaticContact CE1-CZ 3.6Å; F300-F309 HydrophobicContact CE1-CZ 3.6Å; F300-F309 HydrophobicContact CZ-CE2 4.12Å; F300-F309 AromaticContact CZ-CZ 3.81Å; F300-F309 HydrophobicContact CZ-CZ 3.81Å
301L75.1Confident79.4Confident29 Ų2983.5 Ų83.515%0.15244%0.443CS..THydrogen-bonded Turntrans-74.9-12.5-177-62.7179.2000114.3W224 I294 L297 F309 I312W224-L301 HydrophobicContact CG-CD2 4.33Å; I294-L301 HydrophobicContact CD1-CD1 3.36Å; L297-L301 HydrophobicContact CB-CD1 4.21Å; L297-L301 HydrophobicContact CB-CG 4.18Å; L297-L301 PolarHBondContact O-N 2.83Å; L301-F309 HydrophobicContact CD2-CD2 4.21Å; L301-F309 HydrophobicContact CD2-CE2 3.89Å; L301-I312 HydrophobicContact CB-CD1 4.49Å; L301-I312 HydrophobicContact CD2-CD1 4.38Å
302R71.3Confident79.4Confident199 Ų19984.4 Ų84.475%0.75144%0.444SS*.THydrogen-bonded Turntrans-115.3-15-173.9-70.5-175.1171.4-176.2-2.4114.7R298 K299 F300R298-R302 WeakPolarHBondContact O-CB 3.42Å; R298-R302 WeakPolarHBondContact O-CG 3.31Å; K299-R302 PolarHBondContact O-N 2.86Å; F300-R302 VanDerWaalsContact C-N 3.27Å; F300-R302 PolarHBondContact O-N 2.69Å
303I65.1Low79.5Confident108 Ų10884.1 Ų84.155%0.55444%0.441SS*.THydrogen-bonded Turntrans-131.9140.8-168.4-59.4178.1000109.1K299K299-I303 WeakPolarHBondContact O-CB 3.39Å; K299-I303 PolarHBondContact O-N 2.91Å
304P56.6Low79.7Confident77 Ų7782.6 Ų82.650%0.543%0.434SS..THydrogen-bonded Turncis-95.4164.13.332.4-27.1000114.8G306 G307P304-G306 VanDerWaalsContact C-N 3.33Å; P304-G306 PolarHBondContact O-N 3.29Å; P304-G307 PolarHBondContact O-N 3.14Å
305H63.1Low79.8Confident205 Ų20583.7 Ų83.795%0.94944%0.44SS*.THydrogen-bonded Turntrans42.740.2162.5-56.5-65000118.3
306G66.9Low80Confident80 Ų8080.5 Ų80.583%0.82542%0.422SS*.THydrogen-bonded Turntrans120.9-7.5178.100000114.6P304P304-G306 VanDerWaalsContact C-N 3.33Å; P304-G306 PolarHBondContact O-N 3.29Å
307G75.5Confident79.8Confident28 Ų2879.9 Ų79.929%0.28942%0.416SS..  trans102.7163179.800000112.5P304P304-G307 PolarHBondContact O-N 3.14Å
308L82.8Confident79.5Confident96 Ų9686.7 Ų86.750%0.50344%0.442SS..SBendtrans-85.1-21.7-178.7-17861.4000113.2F300F300-L308 HydrophobicContact CE2-CD2 4.11Å; F300-L308 HydrophobicContact CZ-CD2 3.9Å
309F90.3Very high79.2Confident25 Ų2579.8 Ų79.811%0.1143%0.425CS..  trans-114137.9-167.4-54.7-68.3000111.2F222 W224 L287 F300 L301 A311F222-F309 HydrophobicContact CB-CD1 4.03Å; W224-F309 HydrophobicContact CB-CB 4.29Å; W224-F309 HydrophobicContact CB-CD1 3.76Å; W224-F309 HydrophobicContact CB-CD2 3.59Å; W224-F309 HydrophobicContact CB-CE1 3.91Å; W224-F309 HydrophobicContact CB-CE2 3.75Å; W224-F309 HydrophobicContact CB-CG 3.6Å; W224-F309 HydrophobicContact CB-CZ 3.9Å; W224-F309 AromaticContact CD2-CE1 3.93Å; W224-F309 HydrophobicContact CD2-CE1 3.93Å; W224-F309 AromaticContact CD2-CE2 3.78Å; W224-F309 HydrophobicContact CD2-CE2 3.78Å; W224-F309 AromaticContact CD2-CZ 3.42Å; W224-F309 HydrophobicContact CD2-CZ 3.42Å; W224-F309 VanDerWaalsContact CD2-CZ 3.42Å; W224-F309 HydrophobicContact CE3-CD1 4.38Å; W224-F309 AromaticContact CE3-CE1 3.44Å; W224-F309 HydrophobicContact CE3-CE1 3.44Å; W224-F309 VanDerWaalsContact CE3-CE1 3.44Å; W224-F309 HydrophobicContact CE3-CE2 4.1Å; W224-F309 AromaticContact CE3-CZ 3.25Å; W224-F309 HydrophobicContact CE3-CZ 3.25Å; W224-F309 HydrophobicContact CG-CD1 4.48Å; W224-F309 AromaticContact CG-CD2 3.99Å; W224-F309 HydrophobicContact CG-CD2 3.99Å; W224-F309 HydrophobicContact CG-CE1 4.18Å; W224-F309 AromaticContact CG-CE2 3.64Å; W224-F309 HydrophobicContact CG-CE2 3.64Å; W224-F309 HydrophobicContact CG-CG 4.4Å; W224-F309 AromaticContact CG-CZ 3.74Å; W224-F309 HydrophobicContact CG-CZ 3.74Å; W224-F309 HydrophobicContact CZ3-CE1 4.24Å; W224-F309 AromaticContact CZ3-CZ 3.95Å; W224-F309 HydrophobicContact CZ3-CZ 3.95Å; L287-F309 HydrophobicContact CD2-CE1 3.98Å; F300-F309 HydrophobicContact CD1-CE2 4.29Å; F300-F309 AromaticContact CE1-CE2 3.56Å; F300-F309 HydrophobicContact CE1-CE2 3.56Å; F300-F309 AromaticContact CE1-CZ 3.6Å; F300-F309 HydrophobicContact CE1-CZ 3.6Å; F300-F309 HydrophobicContact CZ-CE2 4.12Å; F300-F309 AromaticContact CZ-CZ 3.81Å; F300-F309 HydrophobicContact CZ-CZ 3.81Å; L301-F309 HydrophobicContact CD2-CD2 4.21Å; L301-F309 HydrophobicContact CD2-CE2 3.89Å; F309-A311 VanDerWaalsContact C-N 3.28Å
310D92.6Very high78.8Confident97 Ų9777.3 Ų77.352%0.51942%0.415SS..SBendtrans-68.5-29.6173.5-63.3-84.7000112.1S221 F222S221-D310 VanDerWaalsContact CA-OD2 3.23Å; S221-D310 WeakPolarHBondContact CA-OD2 3.15Å; F222-D310 PolarHBondContact N-OD2 3.39Å; F222-D310 PolarHBondContact O-N 2.9Å
311A93.7Very high78.1Confident12 Ų1282 Ų8210%0.09943%0.43CS..EExtended strand (participates in β ladder)trans-146.9143.617600000112.1G215 F222 V223 W224 F309 I313G215-A311 WeakPolarHBondContact O-CB 3.33Å; F222-A311 PolarHBondContact O-N 2.81Å; V223-A311 WeakPolarHBondContact CA-O 3.34Å; V223-A311 HydrophobicContact CG2-CB 4.32Å; W224-A311 PolarHBondContact N-O 3.26Å; F309-A311 VanDerWaalsContact C-N 3.28Å; A311-I313 HydrophobicContact CB-CG1 4.41Å
312I92.8Very high77.4Confident87 Ų8785.6 Ų85.645%0.44645%0.446SS..EExtended strand (participates in β ladder)trans-111.6118.1165.1-61.8176.7000107.3W224 P226 L301W224-I312 VanDerWaalsContact O-CA 3.31Å; W224-I312 WeakPolarHBondContact O-CA 3.49Å; P226-I312 HydrophobicContact CG-CG2 4.18Å; L301-I312 HydrophobicContact CB-CD1 4.49Å; L301-I312 HydrophobicContact CD2-CD1 4.38Å
313I94.5Very high76.8Confident8 Ų885 Ų854%0.04144%0.444CS..  trans-122.8128.3-179.2-62.6-178.2000108M211 C217 V223 W224 D225 T233 A311M211-I313 HydrophobicContact CB-CG2 3.78Å; M211-I313 HydrophobicContact CE-CG2 3.69Å; M211-I313 WeakPolarHBondContact O-CD1 3.06Å; C217-I313 WeakPolarHBondContact SG-CD1 3.2Å; V223-I313 HydrophobicContact CG1-CD1 4.14Å; V223-I313 HydrophobicContact CG1-CG1 4.29Å; W224-I313 PolarHBondContact O-N 3.23Å; D225-I313 VanDerWaalsContact CA-O 3.32Å; D225-I313 WeakPolarHBondContact CA-O 3.25Å; D225-I313 WeakPolarHBondContact CB-O 3.4Å; T233-I313 HydrophobicContact CG2-CG2 4.06Å; A311-I313 HydrophobicContact CB-CG1 4.41Å
314T93.8Very high76.4Confident41 Ų4183 Ų8325%0.25244%0.439SS..  trans-160.2157.4-173.8-163.30000114M211 D225 P226 F227M211-T314 WeakPolarHBondContact CE-O 3.27Å; D225-T314 WeakPolarHBondContact OD1-CB 3.4Å; D225-T314 PolarHBondContact OD1-OG1 3.49Å; P226-T314 HydrophobicContact CG-CG2 4.15Å; F227-T314 WeakPolarHBondContact CD2-OG1 3.22Å
315D90.6Very high76.5Confident67 Ų6783.4 Ų83.436%0.35844%0.444SS..  trans-128.783.4173.6-175.132.4000108.8M203 Y318M203-D315 HydrophobicContact CE-CB 3.27Å; M203-D315 WeakPolarHBondContact CE-OD2 3.48Å; D315-Y318 WeakPolarHBondContact OD1-CE2 3.4Å
316P87.6Confident76.1Confident37 Ų3781.7 Ų81.724%0.2443%0.433CS..  trans-65.2158.9-172.627.9-35000111.7F227 Y318F227-P316 HydrophobicContact CD2-CB 3.91Å; F227-P316 HydrophobicContact CE2-CB 3.68Å; F227-P316 HydrophobicContact CZ-CB 4.12Å; P316-Y318 HydrophobicContact CG-CE1 3.9Å; P316-Y318 HydrophobicContact CG-CE2 4.23Å; P316-Y318 WeakPolarHBondContact O-CD2 3.06Å; P316-Y318 PolarHBondContact O-N 3.29Å
317P81Confident75.6Confident67 Ų6784.3 Ų84.344%0.43543%0.433SS..  trans-68.794.6179.728.4-35.1000111.1F227 G319 S324F227-P317 HydrophobicContact CD1-CG 4.41Å; F227-P317 HydrophobicContact CE1-CG 4.19Å; P317-G319 PolarHBondContact O-N 3.26Å; P317-S324 PolarHBondContact O-OG 3.34Å
318Y76.7Confident74.4Confident153 Ų15385.2 Ų85.260%0.644%0.435SS*.  trans-740177.8-65.2-67.8000114.4D315 P316 F320D315-Y318 WeakPolarHBondContact OD1-CE2 3.4Å; P316-Y318 HydrophobicContact CG-CE1 3.9Å; P316-Y318 HydrophobicContact CG-CE2 4.23Å; P316-Y318 WeakPolarHBondContact O-CD2 3.06Å; P316-Y318 PolarHBondContact O-N 3.29Å; Y318-F320 VanDerWaalsContact CB-CD2 3.49Å
319G69.2Low73.2Confident30 Ų3089.2 Ų89.231%0.30946%0.457SS..SBendtrans85.36.3-17900000115.6P317 E322P317-G319 PolarHBondContact O-N 3.26Å; G319-E322 CarbonylContact C-O 3.54Å; G319-E322 VanDerWaalsContact CA-O 3.25Å; G319-E322 WeakPolarHBondContact CA-O 3.37Å
320F61.9Low71.1Confident101 Ų10195.6 Ų95.644%0.44349%0.487SS..SBendtrans-88.7-44.3-178.8-69.3-95.5000114.1Y318 V339 L344 I347Y318-F320 VanDerWaalsContact CB-CD2 3.49Å; F320-V339 HydrophobicContact CD1-CB 4.1Å; F320-V339 HydrophobicContact CD1-CG2 3.68Å; F320-V339 HydrophobicContact CD2-CG2 4.3Å; F320-V339 HydrophobicContact CE1-CB 3.28Å; F320-V339 HydrophobicContact CE1-CG1 3.49Å; F320-V339 VanDerWaalsContact CE1-CG1 3.49Å; F320-V339 HydrophobicContact CE1-CG2 3.04Å; F320-V339 HydrophobicContact CE2-CG2 3.76Å; F320-V339 HydrophobicContact CG-CG2 4.3Å; F320-V339 HydrophobicContact CZ-CB 3.7Å; F320-V339 HydrophobicContact CZ-CG1 3.6Å; F320-V339 HydrophobicContact CZ-CG2 3.11Å; F320-L344 HydrophobicContact CD1-CD2 4.4Å; F320-L344 HydrophobicContact CE1-CD2 3.78Å; F320-L344 HydrophobicContact CE1-CG 4.34Å; F320-I347 HydrophobicContact CZ-CD1 3.96Å
321R59.9Low68.6Low176 Ų17696.3 Ų96.366%0.66450%0.497SS*.SBendtrans-98.9-34.1-176.4-67.7-176.5173-172.2-4.6112.1T201T201-R321 HydrophobicContact CG2-CB 3.78Å
322E60.1Low66.4Low104 Ų104100.6 Ų100.649%0.48652%0.521SS..SBendtrans-130.7152.1177.2-72.4175.5-169.600109.5T201 G319T201-E322 HydrophobicContact CG2-CG 3.72Å; T201-E322 WeakPolarHBondContact CG2-OE1 3.25Å; T201-E322 PolarHBondContact OG1-OE1 3.11Å; G319-E322 CarbonylContact C-O 3.54Å; G319-E322 VanDerWaalsContact CA-O 3.25Å; G319-E322 WeakPolarHBondContact CA-O 3.37Å
323R58.4Low64Low185 Ų185103.3 Ų103.370%0.69853%0.532SS*.  trans-75.5134.9-179.6-67.5-173.5-174.6-173.54.5110.2E333R323-E333 IonicContact NH1-OE1 3.54Å
324S56Low61.6Low66 Ų66112.7 Ų112.746%0.46257%0.567SS.*  trans-86.9111169.7-49.30000109.9P317P317-S324 PolarHBondContact O-OG 3.34Å
325C59.7Low59.2Low87 Ų87119.8 Ų119.859%0.58859%0.594SS**  trans-116.9140.2171.5-71.30000109.8
326K53.8Low56.9Low168 Ų168120.1 Ų120.173%0.7360%0.601SS**  trans-85125.9167.1-169.5177.7-179-1760107.3S328K326-S328 PolarHBondContact O-N 3.07Å; K326-S328 VanDerWaalsContact O-N 3.15Å
327V56.1Low55.1Low135 Ų135124.5 Ų124.582%0.81863%0.627SS**  trans-70.7109.4168-173.20000106.7
328S51.9Low53.5Low47 Ų47128.6 Ų128.633%0.32964%0.644SS.*  trans-135.6153170.844.90000108.4K326 Q330K326-S328 PolarHBondContact O-N 3.07Å; K326-S328 VanDerWaalsContact O-N 3.15Å; S328-Q330 WeakPolarHBondContact CB-O 3.28Å; S328-Q330 CarbonylContact O-C 3.55Å; S328-Q330 PolarHBondContact O-N 3.04Å; S328-Q330 PolarHBondContact OG-O 3.47Å
329D57.6Low52.5Low180 Ų180123.2 Ų123.296%0.96363%0.627SS**SBendtrans-52.1-26-178.7-60.2-37.2000113
330Q45Very low52.4Low159 Ų159125.9 Ų125.974%0.74364%0.637SS**SBendtrans-114.9117.1159.3-67.3-177.6-7.700108.7S328 V332S328-Q330 WeakPolarHBondContact CB-O 3.28Å; S328-Q330 CarbonylContact O-C 3.55Å; S328-Q330 PolarHBondContact O-N 3.04Å; S328-Q330 PolarHBondContact OG-O 3.47Å; Q330-V332 PolarHBondContact O-N 2.9Å
331P40.6Very low52.6Low113 Ų113128.7 Ų128.773%0.73465%0.65SS**  trans-63.9102.5177.223.2-30.3000109.4E333P331-E333 VanDerWaalsContact C-N 3.32Å; P331-E333 PolarHBondContact O-N 3.47Å
332V46.8Very low52.9Low101 Ų101127 Ų12761%0.61265%0.649SS**  trans-7892.2169.4-178.40000106.6Q330 R334Q330-V332 PolarHBondContact O-N 2.9Å; V332-R334 PolarHBondContact O-N 3.07Å
333E42Very low53.1Low144 Ų144128 Ų12867%0.67365%0.648SS**  trans-65.7103.7178-152.6-179.5-16500108.9R323 P331 K335R323-E333 IonicContact NH1-OE1 3.54Å; P331-E333 VanDerWaalsContact C-N 3.32Å; P331-E333 PolarHBondContact O-N 3.47Å; E333-K335 PolarHBondContact O-N 3.05Å
334R44.2Very low53.3Low206 Ų206122.2 Ų122.278%0.77763%0.631SS**PPolyproline II helixtrans-77.7122.8167.4-76.5-173.9173.8-176.2-2.1107.4V332V332-R334 PolarHBondContact O-N 3.07Å
335K43.3Very low53.6Low189 Ų189120 Ų12082%0.82262%0.617SS**PPolyproline II helixtrans-50.7134166.8-72.2-176179.3178.80107.7E333 T337E333-K335 PolarHBondContact O-N 3.05Å; K335-T337 PolarHBondContact O-N 3.37Å; K335-T337 VanDerWaalsContact O-N 3.08Å
336P44.1Very low53.8Low75 Ų75121 Ų12149%0.48761%0.613SS.*PPolyproline II helixtrans-49.1124.4175.8-23.530.4000108.4L338P336-L338 PolarHBondContact O-N 3.36Å
337T49.5Very low54.1Low129 Ų129117.5 Ų117.579%0.79160%0.601SS**  trans-67.190.3169.2-43.30000105.3K335 V339K335-T337 PolarHBondContact O-N 3.37Å; K335-T337 VanDerWaalsContact O-N 3.08Å; T337-V339 PolarHBondContact O-N 3.24Å
338L46.7Very low54.4Low153 Ų153115.6 Ų115.680%0.80158%0.584SS**  trans-53.3113.9175-74.9170.5000106.2P336 T340P336-L338 PolarHBondContact O-N 3.36Å; L338-T340 PolarHBondContact O-N 3.05Å
339V56.3Low54.4Low39 Ų39115.6 Ų115.624%0.23659%0.592CS.*  trans-60.3120.1179.5177.80000106.8F320 T337 R343 L344F320-V339 HydrophobicContact CD1-CB 4.1Å; F320-V339 HydrophobicContact CD1-CG2 3.68Å; F320-V339 HydrophobicContact CD2-CG2 4.3Å; F320-V339 HydrophobicContact CE1-CB 3.28Å; F320-V339 HydrophobicContact CE1-CG1 3.49Å; F320-V339 VanDerWaalsContact CE1-CG1 3.49Å; F320-V339 HydrophobicContact CE1-CG2 3.04Å; F320-V339 HydrophobicContact CE2-CG2 3.76Å; F320-V339 HydrophobicContact CG-CG2 4.3Å; F320-V339 HydrophobicContact CZ-CB 3.7Å; F320-V339 HydrophobicContact CZ-CG1 3.6Å; F320-V339 HydrophobicContact CZ-CG2 3.11Å; T337-V339 PolarHBondContact O-N 3.24Å; V339-R343 HydrophobicContact CG1-CB 3.48Å; V339-R343 VanDerWaalsContact CG1-CB 3.48Å; V339-R343 HydrophobicContact CG1-CG 3.52Å; V339-L344 HydrophobicContact CB-CG 4.28Å; V339-L344 HydrophobicContact CG1-CD2 4.49Å; V339-L344 HydrophobicContact CG1-CG 3.81Å
340T66.9Low54.1Low86 Ų86111.6 Ų111.653%0.52857%0.57SS.*  trans-59.4150.4-174.760.70000108.8L338 H342 R343 L344L338-T340 PolarHBondContact O-N 3.05Å; T340-H342 PolarHBondContact O-N 3.42Å; T340-R343 PolarHBondContact O-N 3.24Å; T340-R343 PolarHBondContact OG1-N 3.08Å; T340-L344 PolarHBondContact O-N 2.8Å
341K65.8Low54.1Low161 Ų161111.6 Ų111.670%0.757%0.573SS**Hα-helixtrans-48.4-36.2174.8-69.5-178.8-179.8176.20111.7A345K341-A345 VanDerWaalsContact O-CB 3.31Å; K341-A345 WeakPolarHBondContact O-CB 3.32Å; K341-A345 PolarHBondContact O-N 3.19Å
342H67.3Low54.4Low140 Ų140113.6 Ų113.665%0.64857%0.572SS**Hα-helixtrans-61.6-50.7175.1-172.6-75.3000112.4T340 L344 A345 E346T340-H342 PolarHBondContact O-N 3.42Å; H342-L344 PolarHBondContact O-N 2.81Å; H342-A345 PolarHBondContact O-N 2.93Å; H342-E346 WeakPolarHBondContact O-CB 3.44Å; H342-E346 PolarHBondContact O-N 3.3Å
343R64.3Low54.2Low124 Ų124111.7 Ų111.747%0.46856%0.558SS.*Hα-helixtrans-68.2-34.1-177.8-174.161.3166.7-171.51.9112.7V339 T340 E346 I347V339-R343 HydrophobicContact CG1-CB 3.48Å; V339-R343 VanDerWaalsContact CG1-CB 3.48Å; V339-R343 HydrophobicContact CG1-CG 3.52Å; T340-R343 PolarHBondContact O-N 3.24Å; T340-R343 PolarHBondContact OG1-N 3.08Å; R343-E346 WeakPolarHBondContact CD-OE2 3.47Å; R343-E346 IonicContact CZ-OE1 2.84Å; R343-E346 IonicContact CZ-OE2 3.79Å; R343-E346 IonicContact NE-OE2 2.8Å; R343-E346 IonicContact NH1-OE1 3.86Å; R343-E346 PolarHBondContact NH1-OE1 2.62Å; R343-E346 IonicContact NH1-OE2 2.62Å; R343-E346 PolarHBondContact NH1-OE2 2.89Å; R343-I347 HydrophobicContact CG-CD1 4.17Å; R343-I347 WeakPolarHBondContact O-CD1 3.49Å; R343-I347 VanDerWaalsContact O-CG1 3.24Å; R343-I347 WeakPolarHBondContact O-CG1 3.23Å; R343-I347 PolarHBondContact O-N 3.11Å; R343-I347 VanDerWaalsContact O-N 3.07Å
344L61.9Low54.1Low65 Ų65108.3 Ų108.334%0.3456%0.561SS.*Hα-helixtrans-65.6-44.1170.5-83.8165.3000112.1F320 V339 T340 H342 E346 I347 M348F320-L344 HydrophobicContact CD1-CD2 4.4Å; F320-L344 HydrophobicContact CE1-CD2 3.78Å; F320-L344 HydrophobicContact CE1-CG 4.34Å; V339-L344 HydrophobicContact CB-CG 4.28Å; V339-L344 HydrophobicContact CG1-CD2 4.49Å; V339-L344 HydrophobicContact CG1-CG 3.81Å; T340-L344 PolarHBondContact O-N 2.8Å; H342-L344 PolarHBondContact O-N 2.81Å; L344-E346 VanDerWaalsContact C-N 3.33Å; L344-E346 PolarHBondContact O-N 3.27Å; L344-I347 PolarHBondContact O-N 2.89Å; L344-M348 WeakPolarHBondContact O-CB 3.39Å; L344-M348 VanDerWaalsContact O-CG 3.27Å; L344-M348 WeakPolarHBondContact O-CG 3.27Å; L344-M348 PolarHBondContact O-N 2.98Å
345A62.3Low54.1Low20 Ų20105.6 Ų105.617%0.16556%0.555CS.*Hα-helixtrans-62.7-40.117700000112.2K341 H342 G349 N350 I353K341-A345 VanDerWaalsContact O-CB 3.31Å; K341-A345 WeakPolarHBondContact O-CB 3.32Å; K341-A345 PolarHBondContact O-N 3.19Å; H342-A345 PolarHBondContact O-N 2.93Å; A345-G349 PolarHBondContact O-N 3.11Å; A345-N350 WeakPolarHBondContact CB-O 3.38Å; A345-N350 PolarHBondContact O-N 3.28Å; A345-N350 VanDerWaalsContact O-N 3.12Å; A345-I353 HydrophobicContact CB-CD1 4.4Å
346E64.3Low53.9Low108 Ų108104.7 Ų104.751%0.50555%0.548SS..Hα-helixtrans-60.5-52.2175-172.9-169.2167.100111.6H342 R343 L344 M348 G349H342-E346 WeakPolarHBondContact O-CB 3.44Å; H342-E346 PolarHBondContact O-N 3.3Å; R343-E346 WeakPolarHBondContact CD-OE2 3.47Å; R343-E346 IonicContact CZ-OE1 2.84Å; R343-E346 IonicContact CZ-OE2 3.79Å; R343-E346 IonicContact NE-OE2 2.8Å; R343-E346 IonicContact NH1-OE1 3.86Å; R343-E346 PolarHBondContact NH1-OE1 2.62Å; R343-E346 IonicContact NH1-OE2 2.62Å; R343-E346 PolarHBondContact NH1-OE2 2.89Å; L344-E346 VanDerWaalsContact C-N 3.33Å; L344-E346 PolarHBondContact O-N 3.27Å; E346-M348 PolarHBondContact O-N 3.05Å; E346-G349 PolarHBondContact O-N 2.74Å
347I59.5Low53.9Low94 Ų94104.7 Ų104.748%0.48254%0.543SS..Hα-helixtrans-63.1-41.1179.9-67.5165.4000111.4F320 R343 L344 G349F320-I347 HydrophobicContact CZ-CD1 3.96Å; R343-I347 HydrophobicContact CG-CD1 4.17Å; R343-I347 WeakPolarHBondContact O-CD1 3.49Å; R343-I347 VanDerWaalsContact O-CG1 3.24Å; R343-I347 WeakPolarHBondContact O-CG1 3.23Å; R343-I347 PolarHBondContact O-N 3.11Å; R343-I347 VanDerWaalsContact O-N 3.07Å; L344-I347 PolarHBondContact O-N 2.89Å; I347-G349 VanDerWaalsContact C-N 3.32Å; I347-G349 PolarHBondContact O-N 3.27Å
348M62.2Low53.2Low94 Ų94105.8 Ų105.846%0.46354%0.539SS..Hα-helixtrans-83.2-4.9-176.8-65.2-178.769.400113.9L344 E346 N350 I353L344-M348 WeakPolarHBondContact O-CB 3.39Å; L344-M348 VanDerWaalsContact O-CG 3.27Å; L344-M348 WeakPolarHBondContact O-CG 3.27Å; L344-M348 PolarHBondContact O-N 2.98Å; E346-M348 PolarHBondContact O-N 3.05Å; M348-N350 PolarHBondContact O-N 3.07Å; M348-I353 HydrophobicContact SD-CD1 4.27Å
349G52.6Low52.5Low48 Ų48104.6 Ų104.650%0.49553%0.533SS..THydrogen-bonded Turntrans63.316.8-175.800000114.7A345 E346 I347A345-G349 PolarHBondContact O-N 3.11Å; E346-G349 PolarHBondContact O-N 2.74Å; I347-G349 VanDerWaalsContact C-N 3.32Å; I347-G349 PolarHBondContact O-N 3.27Å
350N51.7Low51.6Low95 Ų95108.8 Ų108.851%0.50855%0.553SS.*  trans-118.1101.2-174.1-78.4-33.3000110.1A345 M348 H352A345-N350 WeakPolarHBondContact CB-O 3.38Å; A345-N350 PolarHBondContact O-N 3.28Å; A345-N350 VanDerWaalsContact O-N 3.12Å; M348-N350 PolarHBondContact O-N 3.07Å; N350-H352 PolarHBondContact O-N 3Å
351M43.2Very low50Low160 Ų160112.8 Ų112.879%0.78856%0.563SS**SBendtrans-70.98.1-179.2-151.416868.600114.7
352H48.5Very low48.5Very low154 Ų154109.7 Ų109.771%0.71356%0.561SS**  trans-142.383.6-175.6-66.2-64.1000113.9N350N350-H352 PolarHBondContact O-N 3Å
353I41.1Very low46.8Very low62 Ų62110 Ų11032%0.31857%0.566SS.*  trans-103.178.4175.2-54.7173.2000109.8A345 M348A345-I353 HydrophobicContact CB-CD1 4.4Å; M348-I353 HydrophobicContact SD-CD1 4.27Å
354G41.3Very low45.2Very low73 Ų73113.2 Ų113.275%0.75358%0.583SS**SBendtrans-91.1-14.3171.100000114.9
355K44Very low44Very low148 Ų148121.5 Ų121.564%0.64363%0.625SS**SBendtrans-129.1-7.1-169-84.7-164.5170.4-167.80118.5I357K355-I357 PolarHBondContact O-N 2.77Å
356Y38.2Very low43.1Very low171 Ų171126.6 Ų126.667%0.67165%0.648SS**THydrogen-bonded Turntrans-74.8-9.6175.9-96.6-85.1000114.5Q358 L359Y356-Q358 VanDerWaalsContact C-N 3.3Å; Y356-Q358 PolarHBondContact O-N 3.37Å; Y356-L359 PolarHBondContact O-N 2.67Å
357I43.7Very low42Very low75 Ų75127.5 Ų127.539%0.38566%0.656SS.*Hα-helixtrans-73.8-19.8178-66.6175.1000112.5K355 L359 I360 K361K355-I357 PolarHBondContact O-N 2.77Å; I357-L359 PolarHBondContact O-N 3.33Å; I357-I360 PolarHBondContact O-N 3.1Å; I357-K361 HydrophobicContact CG2-CD 4.34Å; I357-K361 HydrophobicContact CG2-CG 4.25Å; I357-K361 PolarHBondContact O-N 3.31Å
358Q35.7Very low41Very low152 Ų152129.4 Ų129.471%0.7167%0.666SS**Hα-helixtrans-70.8-20.8175.1-124.3172.5-700112.5Y356 S362Y356-Q358 VanDerWaalsContact C-N 3.3Å; Y356-Q358 PolarHBondContact O-N 3.37Å; Q358-S362 PolarHBondContact O-OG 3.04Å
359L31.6Very low39.8Very low127 Ų127131.5 Ų131.567%0.66568%0.678SS**Hα-helixtrans-81.7-37.5174.9-13885.3000112Y356 I357 S362Y356-L359 PolarHBondContact O-N 2.67Å; I357-L359 PolarHBondContact O-N 3.33Å; L359-S362 PolarHBondContact O-N 3.23Å
360I37.6Very low39Very low128 Ų128136.7 Ų136.766%0.65669%0.689SS**Hα-helixtrans-76.8-31.3-175.9-60.3175.9000111.9I357 S362I357-I360 PolarHBondContact O-N 3.1Å; I360-S362 PolarHBondContact O-N 3.43Å
361K33.6Very low38.1Very low170 Ų170139.5 Ų139.574%0.73970%0.701SS**THydrogen-bonded Turntrans-70.4-10.8175.6-75.9-169.2174.9-1720114.4I357I357-K361 HydrophobicContact CG2-CD 4.34Å; I357-K361 HydrophobicContact CG2-CG 4.25Å; I357-K361 PolarHBondContact O-N 3.31Å
362S33.2Very low37.8Very low96 Ų96138 Ų13867%0.67170%0.695SS**THydrogen-bonded Turntrans-93.5-10.7-176.6-50.50000113.3Q358 L359 I360 K364Q358-S362 PolarHBondContact O-OG 3.04Å; L359-S362 PolarHBondContact O-N 3.23Å; I360-S362 PolarHBondContact O-N 3.43Å; S362-K364 VanDerWaalsContact C-N 3.34Å; S362-K364 PolarHBondContact O-N 3.44Å
363I31.8Very low37Very low146 Ų146136.8 Ų136.875%0.74969%0.694SS**  trans-95.775.2171.9-53.1176000106.4
364K31.9Very low36.6Very low191 Ų191143 Ų14383%0.8373%0.725SS**  trans-74.4132.5160.3-88.5-174.3174.4-176.90107.5S362S362-K364 VanDerWaalsContact C-N 3.34Å; S362-K364 PolarHBondContact O-N 3.44Å
365I36.8Very low36.2Very low239 Ų239149.4 Ų149.4100%1.22672%0.722SS**  trans-41.40174.4-62164.7000111.6

Retrieved 365 of 365 residues in 80 ms (Link to these results)

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