A0A077ZCB2_TRITR Loading...

HAD 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCB2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M85.6Confident89.9Confident46 Ų4678.5 Ų78.523%0.22745%0.451CS..  0-910-167174.496.300112.1L3 D4 Y5 F43 A60 F61M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.08Å; M1-D4 WeakPolarHBondContact CA-OD2 3.38Å; M1-D4 PolarHBondContact N-OD2 3.25Å; M1-D4 VanDerWaalsContact O-CB 3.27Å; M1-D4 WeakPolarHBondContact O-CB 3.49Å; M1-D4 PolarHBondContact O-N 2.98Å; M1-D4 VanDerWaalsContact O-OD2 3.06Å; M1-Y5 WeakPolarHBondContact O-CD2 3.34Å; M1-F43 HydrophobicContact CE-CE1 4.12Å; M1-A60 HydrophobicContact CB-CB 4.23Å; M1-A60 HydrophobicContact CG-CB 3.6Å; M1-A60 HydrophobicContact SD-CB 3.79Å; M1-F61 HydrophobicContact CE-CB 4.26Å; M1-F61 HydrophobicContact CE-CD2 4.34Å; M1-F61 VanDerWaalsContact SD-CA 3.52Å; M1-F61 HydrophobicContact SD-CB 3.62Å; M1-F61 HydrophobicContact SD-CD2 4.5Å; M1-F61 PolarHBondContact SD-N 3.21Å
2F86.9Confident90.4Very high18 Ų1883.3 Ų83.38%0.07947%0.467CS..G310 helixtrans-67.7-29.8-174.4-75.7-67.8000114.2D4 Y5 V7 F9 W46 L50F2-D4 PolarHBondContact O-N 3.19Å; F2-Y5 CarbonylContact O-C 3.58Å; F2-Y5 WeakPolarHBondContact O-CA 3.34Å; F2-Y5 PolarHBondContact O-N 3.01Å; F2-V7 CarbonylContact C-O 3.23Å; F2-V7 VanDerWaalsContact C-O 3.23Å; F2-V7 HydrophobicContact CB-CB 4.16Å; F2-V7 HydrophobicContact CB-CG1 4.24Å; F2-V7 HydrophobicContact CD1-CG1 4.5Å; F2-V7 PolarHBondContact O-N 2.8Å; F2-F9 HydrophobicContact CB-CB 4.07Å; F2-F9 HydrophobicContact CB-CD2 4.48Å; F2-F9 HydrophobicContact CD1-CD2 4.38Å; F2-F9 HydrophobicContact CD2-CB 3.9Å; F2-F9 HydrophobicContact CD2-CD1 4.5Å; F2-F9 AromaticContact CD2-CD2 3.15Å; F2-F9 HydrophobicContact CD2-CD2 3.15Å; F2-F9 AromaticContact CD2-CE2 3.7Å; F2-F9 HydrophobicContact CD2-CE2 3.7Å; F2-F9 AromaticContact CD2-CG 3.62Å; F2-F9 HydrophobicContact CD2-CG 3.62Å; F2-F9 HydrophobicContact CE1-CD2 4.44Å; F2-F9 AromaticContact CE2-CD2 3.21Å; F2-F9 HydrophobicContact CE2-CD2 3.21Å; F2-F9 AromaticContact CE2-CE2 3.19Å; F2-F9 HydrophobicContact CE2-CE2 3.19Å; F2-F9 HydrophobicContact CE2-CG 4.01Å; F2-F9 AromaticContact CE2-CZ 3.99Å; F2-F9 HydrophobicContact CE2-CZ 3.99Å; F2-F9 HydrophobicContact CG-CB 4.25Å; F2-F9 AromaticContact CG-CD2 3.78Å; F2-F9 HydrophobicContact CG-CD2 3.78Å; F2-F9 HydrophobicContact CG-CG 4.33Å; F2-F9 AromaticContact CZ-CD2 3.91Å; F2-F9 HydrophobicContact CZ-CD2 3.91Å; F2-F9 AromaticContact CZ-CE2 3.72Å; F2-F9 HydrophobicContact CZ-CE2 3.72Å; F2-W46 HydrophobicContact CD1-CE3 4.24Å; F2-W46 HydrophobicContact CE1-CB 4.18Å; F2-W46 AromaticContact CE1-CD2 3.64Å; F2-W46 HydrophobicContact CE1-CD2 3.64Å; F2-W46 AromaticContact CE1-CE3 3.63Å; F2-W46 HydrophobicContact CE1-CE3 3.63Å; F2-W46 AromaticContact CE1-CG 3.9Å; F2-W46 HydrophobicContact CE1-CG 3.9Å; F2-W46 HydrophobicContact CE1-CZ3 4.28Å; F2-W46 HydrophobicContact CZ-CB 4.39Å; F2-W46 AromaticContact CZ-CD2 3.88Å; F2-W46 HydrophobicContact CZ-CD2 3.88Å; F2-W46 HydrophobicContact CZ-CE3 4.31Å; F2-W46 AromaticContact CZ-CG 3.89Å; F2-W46 HydrophobicContact CZ-CG 3.89Å; F2-L50 HydrophobicContact CD1-CD1 3.87Å; F2-L50 HydrophobicContact CE1-CD1 3.87Å
3L87.3Confident90.7Very high131 Ų13178.5 Ų78.569%0.68644%0.44SS*.G310 helixtrans-60.4-28.5172.4-70.3173.7000112.7M1 Y5 S6 V7M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.08Å; L3-Y5 PolarHBondContact O-N 3.29Å; L3-Y5 VanDerWaalsContact O-N 3.13Å; L3-S6 PolarHBondContact O-N 2.97Å; L3-V7 PolarHBondContact N-O 3.43Å
4D87.5Confident90.9Very high125 Ų12580.3 Ų80.367%0.66844%0.441SS*.G310 helixtrans-66.3-15.5177.1-50.2-43.4000111.5M1 F2M1-D4 WeakPolarHBondContact CA-OD2 3.38Å; M1-D4 PolarHBondContact N-OD2 3.25Å; M1-D4 VanDerWaalsContact O-CB 3.27Å; M1-D4 WeakPolarHBondContact O-CB 3.49Å; M1-D4 PolarHBondContact O-N 2.98Å; M1-D4 VanDerWaalsContact O-OD2 3.06Å; F2-D4 PolarHBondContact O-N 3.19Å
5Y89.6Confident91.2Very high78 Ų7884.1 Ų84.131%0.30645%0.454SS..G310 helixtrans-11018175.8-55.8-77.7000112.9M1 F2 L3 V7 L50 V52 L57M1-Y5 WeakPolarHBondContact O-CD2 3.34Å; F2-Y5 CarbonylContact O-C 3.58Å; F2-Y5 WeakPolarHBondContact O-CA 3.34Å; F2-Y5 PolarHBondContact O-N 3.01Å; L3-Y5 PolarHBondContact O-N 3.29Å; L3-Y5 VanDerWaalsContact O-N 3.13Å; Y5-V7 PolarHBondContact O-N 3.44Å; Y5-L50 HydrophobicContact CD2-CD1 3.99Å; Y5-L50 HydrophobicContact CG-CD1 4.02Å; Y5-V52 HydrophobicContact CD1-CG1 4.39Å; Y5-V52 HydrophobicContact CE1-CG1 3.62Å; Y5-L57 HydrophobicContact CD2-CD2 4.36Å; Y5-L57 HydrophobicContact CE2-CD2 3.66Å
6S90.5Very high91.3Very high119 Ų11984.9 Ų84.983%0.83246%0.458SS*.THydrogen-bonded Turntrans57.826.6-174.7-50.50000114.2L3L3-S6 PolarHBondContact O-N 2.97Å
7V90Very high91.6Very high26 Ų2680.6 Ų80.616%0.15843%0.434CS..  trans-104.3121.2175.7173.70000110.4F2 L3 Y5 F9 W46 L50F2-V7 CarbonylContact C-O 3.23Å; F2-V7 VanDerWaalsContact C-O 3.23Å; F2-V7 HydrophobicContact CB-CB 4.16Å; F2-V7 HydrophobicContact CB-CG1 4.24Å; F2-V7 HydrophobicContact CD1-CG1 4.5Å; F2-V7 PolarHBondContact O-N 2.8Å; L3-V7 PolarHBondContact N-O 3.43Å; Y5-V7 PolarHBondContact O-N 3.44Å; V7-F9 PolarHBondContact O-N 3.26Å; V7-W46 HydrophobicContact CG1-CH2 4.25Å; V7-W46 HydrophobicContact CG1-CZ3 4.02Å; V7-L50 HydrophobicContact CG2-CD2 3.73Å
8T92.1Very high91.8Very high110 Ų11078.8 Ų78.868%0.67542%0.422SS*.  trans-80.8102.9165.8-57.50000108.5T10T8-T10 PolarHBondContact O-N 2.64Å
9F91.3Very high92Very high68 Ų6878.3 Ų78.330%0.29843%0.43SS..  trans-74.4120.2178.9-164.3-97.3000110.6F2 V7 D13 F14 W46F2-F9 HydrophobicContact CB-CB 4.07Å; F2-F9 HydrophobicContact CB-CD2 4.48Å; F2-F9 HydrophobicContact CD1-CD2 4.38Å; F2-F9 HydrophobicContact CD2-CB 3.9Å; F2-F9 HydrophobicContact CD2-CD1 4.5Å; F2-F9 AromaticContact CD2-CD2 3.15Å; F2-F9 HydrophobicContact CD2-CD2 3.15Å; F2-F9 AromaticContact CD2-CE2 3.7Å; F2-F9 HydrophobicContact CD2-CE2 3.7Å; F2-F9 AromaticContact CD2-CG 3.62Å; F2-F9 HydrophobicContact CD2-CG 3.62Å; F2-F9 HydrophobicContact CE1-CD2 4.44Å; F2-F9 AromaticContact CE2-CD2 3.21Å; F2-F9 HydrophobicContact CE2-CD2 3.21Å; F2-F9 AromaticContact CE2-CE2 3.19Å; F2-F9 HydrophobicContact CE2-CE2 3.19Å; F2-F9 HydrophobicContact CE2-CG 4.01Å; F2-F9 AromaticContact CE2-CZ 3.99Å; F2-F9 HydrophobicContact CE2-CZ 3.99Å; F2-F9 HydrophobicContact CG-CB 4.25Å; F2-F9 AromaticContact CG-CD2 3.78Å; F2-F9 HydrophobicContact CG-CD2 3.78Å; F2-F9 HydrophobicContact CG-CG 4.33Å; F2-F9 AromaticContact CZ-CD2 3.91Å; F2-F9 HydrophobicContact CZ-CD2 3.91Å; F2-F9 AromaticContact CZ-CE2 3.72Å; F2-F9 HydrophobicContact CZ-CE2 3.72Å; V7-F9 PolarHBondContact O-N 3.26Å; F9-D13 HydrophobicContact CD1-CB 4.31Å; F9-D13 HydrophobicContact CD2-CB 3.71Å; F9-D13 HydrophobicContact CE1-CB 4.17Å; F9-D13 HydrophobicContact CE2-CB 3.54Å; F9-D13 HydrophobicContact CG-CB 4.12Å; F9-D13 HydrophobicContact CZ-CB 3.79Å; F9-F14 HydrophobicContact CE1-CB 3.75Å; F9-F14 HydrophobicContact CE1-CD2 4.2Å; F9-F14 HydrophobicContact CE1-CG 4.49Å; F9-F14 HydrophobicContact CZ-CB 4.38Å; F9-W46 HydrophobicContact CD2-CH2 4.48Å; F9-W46 HydrophobicContact CD2-CZ2 4.19Å; F9-W46 AromaticContact CE2-CZ2 3.86Å; F9-W46 HydrophobicContact CE2-CZ2 3.86Å
10T94.2Very high92.2Very high64 Ų6477.5 Ų77.539%0.39343%0.428SS..  trans-98.8174.8-173.869.40000112.6T8 E12 D13 F14T8-T10 PolarHBondContact O-N 2.64Å; T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 PolarHBondContact O-N 3.36Å; T10-E12 PolarHBondContact OG1-N 3.06Å; T10-D13 WeakPolarHBondContact CB-OD2 3.28Å; T10-D13 PolarHBondContact N-OD2 3.22Å; T10-D13 PolarHBondContact O-N 2.95Å; T10-D13 VanDerWaalsContact OG1-CG 3.29Å; T10-D13 PolarHBondContact OG1-N 3.12Å; T10-D13 PolarHBondContact OG1-OD2 2.84Å; T10-F14 PolarHBondContact O-N 3.33Å; T10-F14 VanDerWaalsContact O-N 3.14Å
11A94.2Very high92.5Very high78 Ų7874.4 Ų74.465%0.64541%0.411SS*.Hα-helixtrans-66-30.6172.200000112.6F14 Q15A11-F14 PolarHBondContact O-N 3.22Å; A11-Q15 WeakPolarHBondContact O-CG 3.49Å; A11-Q15 PolarHBondContact O-N 3.48Å; A11-Q15 VanDerWaalsContact O-N 3.14Å
12E95.1Very high92.9Very high136 Ų13678.3 Ų78.364%0.63643%0.426SS*.Hα-helixtrans-68.8-47.2175.2-174.6173.1-164.500110.3T10 F14 Q15 D16T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 PolarHBondContact O-N 3.36Å; T10-E12 PolarHBondContact OG1-N 3.06Å; E12-F14 PolarHBondContact O-N 2.97Å; E12-F14 VanDerWaalsContact O-N 3.17Å; E12-Q15 WeakPolarHBondContact O-CA 3.21Å; E12-Q15 WeakPolarHBondContact O-CB 3.37Å; E12-Q15 PolarHBondContact O-N 3.46Å; E12-D16 PolarHBondContact O-N 3.23Å
13D94.7Very high93.4Very high22 Ų2280.7 Ų80.712%0.11844%0.443CS..Hα-helixtrans-56.8-35.4174.3-62.7-60.8000112.2F9 T10 Y17 W46F9-D13 HydrophobicContact CD1-CB 4.31Å; F9-D13 HydrophobicContact CD2-CB 3.71Å; F9-D13 HydrophobicContact CE1-CB 4.17Å; F9-D13 HydrophobicContact CE2-CB 3.54Å; F9-D13 HydrophobicContact CG-CB 4.12Å; F9-D13 HydrophobicContact CZ-CB 3.79Å; T10-D13 WeakPolarHBondContact CB-OD2 3.28Å; T10-D13 PolarHBondContact N-OD2 3.22Å; T10-D13 PolarHBondContact O-N 2.95Å; T10-D13 VanDerWaalsContact OG1-CG 3.29Å; T10-D13 PolarHBondContact OG1-N 3.12Å; T10-D13 PolarHBondContact OG1-OD2 2.84Å; D13-Y17 WeakPolarHBondContact O-CB 3.39Å; D13-Y17 PolarHBondContact O-N 2.79Å; D13-W46 HydrophobicContact CB-CH2 4.4Å; D13-W46 HydrophobicContact CB-CZ2 3.83Å; D13-W46 WeakPolarHBondContact OD1-CH2 3.24Å; D13-W46 WeakPolarHBondContact OD1-CZ2 3.17Å
14F94.2Very high93.9Very high103 Ų10375.9 Ų75.945%0.45242%0.418SS..Hα-helixtrans-67.5-39.1174.6-175.9-112.6000112.7F9 T10 A11 E12 Y17 Q18F9-F14 HydrophobicContact CE1-CB 3.75Å; F9-F14 HydrophobicContact CE1-CD2 4.2Å; F9-F14 HydrophobicContact CE1-CG 4.49Å; F9-F14 HydrophobicContact CZ-CB 4.38Å; T10-F14 PolarHBondContact O-N 3.33Å; T10-F14 VanDerWaalsContact O-N 3.14Å; A11-F14 PolarHBondContact O-N 3.22Å; E12-F14 PolarHBondContact O-N 2.97Å; E12-F14 VanDerWaalsContact O-N 3.17Å; F14-Y17 HydrophobicContact CD2-CD1 4.37Å; F14-Y17 HydrophobicContact CE2-CD1 4.4Å; F14-Q18 HydrophobicContact CD1-CG 4.35Å; F14-Q18 HydrophobicContact CD2-CG 4.44Å; F14-Q18 HydrophobicContact CE1-CG 3.96Å; F14-Q18 HydrophobicContact CE2-CG 4.06Å; F14-Q18 HydrophobicContact CZ-CG 3.81Å; F14-Q18 WeakPolarHBondContact O-CB 3.27Å; F14-Q18 VanDerWaalsContact O-CG 3.24Å; F14-Q18 WeakPolarHBondContact O-CG 3.39Å; F14-Q18 PolarHBondContact O-N 3.29Å
15Q94.3Very high94.3Very high137 Ų13772.8 Ų72.864%0.6440%0.397SS*.Hα-helixtrans-65.4-44.5175.8-72.8-180-1.900111A11 E12 Q18 A19A11-Q15 WeakPolarHBondContact O-CG 3.49Å; A11-Q15 PolarHBondContact O-N 3.48Å; A11-Q15 VanDerWaalsContact O-N 3.14Å; E12-Q15 WeakPolarHBondContact O-CA 3.21Å; E12-Q15 WeakPolarHBondContact O-CB 3.37Å; E12-Q15 PolarHBondContact O-N 3.46Å; Q15-Q18 PolarHBondContact O-N 3.45Å; Q15-Q18 VanDerWaalsContact O-N 3.14Å; Q15-A19 PolarHBondContact O-N 2.87Å
16D94Very high94.6Very high97 Ų9772.5 Ų72.552%0.51940%0.403SS..Hα-helixtrans-61.4-45.4176.5-72.2-13.3000111.6E12 Q18 A19 V20E12-D16 PolarHBondContact O-N 3.23Å; D16-Q18 VanDerWaalsContact C-N 3.32Å; D16-Q18 PolarHBondContact O-N 2.92Å; D16-A19 WeakPolarHBondContact O-CB 3.49Å; D16-A19 PolarHBondContact O-N 3.27Å; D16-V20 PolarHBondContact O-N 3.17Å
17Y95.2Very high94.9Very high13 Ų1369.8 Ų69.85%0.05138%0.38CS..Hα-helixtrans-57.5-45172.7166.7-101.4000111.6D13 F14 A19 V20 N21 R42 F43D13-Y17 WeakPolarHBondContact O-CB 3.39Å; D13-Y17 PolarHBondContact O-N 2.79Å; F14-Y17 HydrophobicContact CD2-CD1 4.37Å; F14-Y17 HydrophobicContact CE2-CD1 4.4Å; Y17-A19 VanDerWaalsContact C-N 3.3Å; Y17-A19 PolarHBondContact O-N 3.15Å; Y17-V20 PolarHBondContact O-N 2.88Å; Y17-N21 HydrophobicContact CD1-CB 4.34Å; Y17-N21 HydrophobicContact CD2-CB 4.36Å; Y17-N21 HydrophobicContact CE1-CB 3.87Å; Y17-N21 HydrophobicContact CE2-CB 3.91Å; Y17-N21 VanDerWaalsContact O-CB 3.25Å; Y17-N21 WeakPolarHBondContact O-CB 3.19Å; Y17-N21 PolarHBondContact O-N 2.86Å; Y17-N21 PolarHBondContact OH-OD1 2.76Å; Y17-R42 WeakPolarHBondContact CD2-O 3.42Å; Y17-R42 HydrophobicContact CE2-CB 4.08Å; Y17-R42 HydrophobicContact CE2-CG 4.17Å; Y17-R42 WeakPolarHBondContact CE2-O 3.44Å; Y17-R42 PolarHBondContact OH-NH1 3.14Å; Y17-F43 HydrophobicContact CD2-CE1 4.19Å; Y17-F43 HydrophobicContact CE2-CD1 4.3Å; Y17-F43 AromaticContact CE2-CE1 3.71Å; Y17-F43 HydrophobicContact CE2-CE1 3.71Å; Y17-F43 AromaticContact CE2-CZ 3.85Å; Y17-F43 HydrophobicContact CE2-CZ 3.85Å
18Q95.5Very high95.2Very high47 Ų4769.2 Ų69.222%0.2238%0.375CS..Hα-helixtrans-67.4-29.8-179.5-74.2-77.354.400113.1F14 Q15 D16 V20 N21 K22F14-Q18 HydrophobicContact CD1-CG 4.35Å; F14-Q18 HydrophobicContact CD2-CG 4.44Å; F14-Q18 HydrophobicContact CE1-CG 3.96Å; F14-Q18 HydrophobicContact CE2-CG 4.06Å; F14-Q18 HydrophobicContact CZ-CG 3.81Å; F14-Q18 WeakPolarHBondContact O-CB 3.27Å; F14-Q18 VanDerWaalsContact O-CG 3.24Å; F14-Q18 WeakPolarHBondContact O-CG 3.39Å; F14-Q18 PolarHBondContact O-N 3.29Å; Q15-Q18 PolarHBondContact O-N 3.45Å; Q15-Q18 VanDerWaalsContact O-N 3.14Å; D16-Q18 VanDerWaalsContact C-N 3.32Å; D16-Q18 PolarHBondContact O-N 2.92Å; Q18-V20 PolarHBondContact O-N 3.18Å; Q18-N21 PolarHBondContact OE1-ND2 2.71Å; Q18-K22 WeakPolarHBondContact O-CB 3.49Å; Q18-K22 WeakPolarHBondContact O-CG 3.41Å; Q18-K22 PolarHBondContact O-N 2.65Å; Q18-K22 VanDerWaalsContact O-N 3.1Å
19A96.1Very high95.3Very high69 Ų6966.3 Ų66.357%0.5735%0.354SS*.Hα-helixtrans-64.8-29.7174.900000112.3Q15 D16 Y17 P23Q15-A19 PolarHBondContact O-N 2.87Å; D16-A19 WeakPolarHBondContact O-CB 3.49Å; D16-A19 PolarHBondContact O-N 3.27Å; Y17-A19 VanDerWaalsContact C-N 3.3Å; Y17-A19 PolarHBondContact O-N 3.15Å; A19-P23 VanDerWaalsContact O-CD 3.23Å; A19-P23 WeakPolarHBondContact O-CD 3.4Å; A19-P23 WeakPolarHBondContact O-CG 3.25Å
20V96.6Very high95.5Very high63 Ų6368.8 Ų68.838%0.38237%0.37SS..Hα-helixtrans-89.3-44.8174.3-178.50000111.8D16 Y17 Q18 P23 L24D16-V20 PolarHBondContact O-N 3.17Å; Y17-V20 PolarHBondContact O-N 2.88Å; Q18-V20 PolarHBondContact O-N 3.18Å; V20-P23 WeakPolarHBondContact O-CD 3.32Å; V20-L24 HydrophobicContact CG1-CD1 4Å; V20-L24 WeakPolarHBondContact O-CG 3.4Å
21N96.9Very high95.4Very high13 Ų1368.9 Ų68.97%0.0738%0.383CS..Hα-helixtrans-67.4-41.5-173.1171.971.7000112.8Y17 Q18 L24 W25 R42Y17-N21 HydrophobicContact CD1-CB 4.34Å; Y17-N21 HydrophobicContact CD2-CB 4.36Å; Y17-N21 HydrophobicContact CE1-CB 3.87Å; Y17-N21 HydrophobicContact CE2-CB 3.91Å; Y17-N21 VanDerWaalsContact O-CB 3.25Å; Y17-N21 WeakPolarHBondContact O-CB 3.19Å; Y17-N21 PolarHBondContact O-N 2.86Å; Y17-N21 PolarHBondContact OH-OD1 2.76Å; Q18-N21 PolarHBondContact OE1-ND2 2.71Å; N21-L24 PolarHBondContact O-N 2.95Å; N21-W25 VanDerWaalsContact O-CD1 3.3Å; N21-W25 PolarHBondContact O-N 3.12Å; N21-W25 PolarHBondContact OD1-NE1 3.04Å; N21-R42 HydrophobicContact CB-CB 4.22Å; N21-R42 WeakPolarHBondContact OD1-CD 3.44Å
22K95.1Very high95.6Very high128 Ų12868.6 Ų68.656%0.55738%0.381SS*.Hα-helixtrans-63-49.4-176.4-73.1175.6177.9178.80113Q18 L24 W25 V26Q18-K22 WeakPolarHBondContact O-CB 3.49Å; Q18-K22 WeakPolarHBondContact O-CG 3.41Å; Q18-K22 PolarHBondContact O-N 2.65Å; Q18-K22 VanDerWaalsContact O-N 3.1Å; K22-L24 VanDerWaalsContact C-N 3.3Å; K22-L24 PolarHBondContact O-N 2.65Å; K22-W25 PolarHBondContact O-N 3.4Å; K22-V26 PolarHBondContact O-N 3.14Å
23P96.9Very high95.6Very high67 Ų6763.6 Ų63.644%0.43536%0.358SS..Hα-helixtrans-57.6-40.4175.8-26.935.5000113.5A19 V20 W25 V26 D27A19-P23 VanDerWaalsContact O-CD 3.23Å; A19-P23 WeakPolarHBondContact O-CD 3.4Å; A19-P23 WeakPolarHBondContact O-CG 3.25Å; V20-P23 WeakPolarHBondContact O-CD 3.32Å; P23-W25 VanDerWaalsContact C-N 3.27Å; P23-W25 PolarHBondContact O-N 2.67Å; P23-V26 WeakPolarHBondContact O-CA 3.42Å; P23-V26 WeakPolarHBondContact O-CB 3.3Å; P23-V26 PolarHBondContact O-N 2.99Å; P23-D27 PolarHBondContact O-N 2.93Å
24L97.7Very high95.7Very high30 Ų3066.1 Ų66.116%0.15737%0.374CS..Hα-helixtrans-63.1-33.6179.5-66.1171.2000112.5V20 N21 K22 V26 D27 Y28 I33 L38 R42V20-L24 HydrophobicContact CG1-CD1 4Å; V20-L24 WeakPolarHBondContact O-CG 3.4Å; N21-L24 PolarHBondContact O-N 2.95Å; K22-L24 VanDerWaalsContact C-N 3.3Å; K22-L24 PolarHBondContact O-N 2.65Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-D27 PolarHBondContact O-N 3.11Å; L24-Y28 WeakPolarHBondContact O-CB 3.34Å; L24-Y28 PolarHBondContact O-N 3.28Å; L24-I33 HydrophobicContact CB-CD1 4.07Å; L24-I33 HydrophobicContact CD2-CD1 3.8Å; L24-I33 WeakPolarHBondContact O-CD1 3.47Å; L24-L38 HydrophobicContact CB-CD1 3.37Å; L24-L38 HydrophobicContact CD1-CD1 4.48Å; L24-R42 HydrophobicContact CD1-CB 3.92Å; L24-R42 VanDerWaalsContact CD1-N 3.34Å
25W95.9Very high95.6Very high61 Ų6162.1 Ų62.123%0.23136%0.359CS..Hα-helixtrans-64.5-39.3172.4-85102.1000112.1N21 K22 P23 Y28 Q29 L38 N93 F95N21-W25 VanDerWaalsContact O-CD1 3.3Å; N21-W25 PolarHBondContact O-N 3.12Å; N21-W25 PolarHBondContact OD1-NE1 3.04Å; K22-W25 PolarHBondContact O-N 3.4Å; P23-W25 VanDerWaalsContact C-N 3.27Å; P23-W25 PolarHBondContact O-N 2.67Å; W25-Y28 AromaticContact CE3-CD1 3.99Å; W25-Y28 HydrophobicContact CE3-CD1 3.99Å; W25-Y28 AromaticContact CZ3-CD1 3.86Å; W25-Y28 HydrophobicContact CZ3-CD1 3.86Å; W25-Y28 HydrophobicContact CZ3-CE1 4.16Å; W25-Y28 PolarHBondContact O-N 3.05Å; W25-Q29 WeakPolarHBondContact O-CB 3.17Å; W25-Q29 VanDerWaalsContact O-CG 3.25Å; W25-Q29 WeakPolarHBondContact O-CG 3.45Å; W25-Q29 PolarHBondContact O-N 3.43Å; W25-L38 HydrophobicContact CD2-CD1 4.42Å; W25-L38 HydrophobicContact CD2-CD2 3.68Å; W25-L38 HydrophobicContact CE3-CD2 3.7Å; W25-L38 HydrophobicContact CG-CD1 4.28Å; W25-L38 HydrophobicContact CG-CD2 4.31Å; W25-L38 HydrophobicContact CH2-CD2 3.86Å; W25-L38 HydrophobicContact CZ2-CD2 3.85Å; W25-L38 HydrophobicContact CZ3-CD2 3.77Å; W25-N93 WeakPolarHBondContact CH2-O 3.4Å; W25-N93 HydrophobicContact CZ3-CB 4.06Å; W25-N93 WeakPolarHBondContact CZ3-O 3.5Å; W25-F95 HydrophobicContact CH2-CE1 4.24Å; W25-F95 HydrophobicContact CH2-CE2 4.17Å; W25-F95 AromaticContact CH2-CZ 3.8Å; W25-F95 HydrophobicContact CH2-CZ 3.8Å; W25-F95 AromaticContact CZ2-CE2 3.9Å; W25-F95 HydrophobicContact CZ2-CE2 3.9Å; W25-F95 AromaticContact CZ2-CZ 3.74Å; W25-F95 HydrophobicContact CZ2-CZ 3.74Å
26V95.5Very high95.6Very high72 Ų7260.3 Ų60.344%0.43635%0.353SS..Hα-helixtrans-64.8-44.9175.5176.30000110.3K22 P23 L24 Y28 Q29 N30K22-V26 PolarHBondContact O-N 3.14Å; P23-V26 WeakPolarHBondContact O-CA 3.42Å; P23-V26 WeakPolarHBondContact O-CB 3.3Å; P23-V26 PolarHBondContact O-N 2.99Å; L24-V26 VanDerWaalsContact C-N 3.33Å; V26-Y28 VanDerWaalsContact C-N 3.31Å; V26-Y28 PolarHBondContact O-N 3.09Å; V26-Q29 PolarHBondContact O-N 2.8Å; V26-N30 WeakPolarHBondContact CG1-ND2 3.25Å; V26-N30 WeakPolarHBondContact O-CB 3.41Å; V26-N30 VanDerWaalsContact O-CG 3.22Å; V26-N30 PolarHBondContact O-N 3.18Å; V26-N30 PolarHBondContact O-ND2 3.35Å
27D96.8Very high95.7Very high62 Ų6260.5 Ų60.533%0.33235%0.351SS..Hα-helixtrans-60.8-40.5176-70.3-21.9000111.8P23 L24 N30 G31 A32 I33P23-D27 PolarHBondContact O-N 2.93Å; L24-D27 PolarHBondContact O-N 3.11Å; D27-N30 CarbonylContact O-C 3.52Å; D27-N30 PolarHBondContact O-N 3.42Å; D27-G31 PolarHBondContact O-N 3.35Å; D27-G31 VanDerWaalsContact O-N 3.1Å; D27-A32 HydrophobicContact CB-CB 4.15Å; D27-A32 WeakPolarHBondContact O-CB 3.31Å; D27-A32 PolarHBondContact O-N 3.31Å; D27-I33 HydrophobicContact CB-CD1 3.99Å; D27-I33 HydrophobicContact CB-CG1 3.89Å; D27-I33 HydrophobicContact CB-CG2 4.33Å
28Y96.4Very high95.8Very high13 Ų1359.9 Ų59.95%0.05135%0.349CS..Hα-helixtrans-63.4-45174.8175.9-120.5000111.8L24 W25 V26 N30 G31 I33 L38 N93 S118 E119 A124L24-Y28 WeakPolarHBondContact O-CB 3.34Å; L24-Y28 PolarHBondContact O-N 3.28Å; W25-Y28 AromaticContact CE3-CD1 3.99Å; W25-Y28 HydrophobicContact CE3-CD1 3.99Å; W25-Y28 AromaticContact CZ3-CD1 3.86Å; W25-Y28 HydrophobicContact CZ3-CD1 3.86Å; W25-Y28 HydrophobicContact CZ3-CE1 4.16Å; W25-Y28 PolarHBondContact O-N 3.05Å; V26-Y28 VanDerWaalsContact C-N 3.31Å; V26-Y28 PolarHBondContact O-N 3.09Å; Y28-N30 VanDerWaalsContact C-N 3.26Å; Y28-N30 PolarHBondContact O-N 2.87Å; Y28-G31 PolarHBondContact O-N 2.86Å; Y28-I33 WeakPolarHBondContact CD2-O 3.46Å; Y28-L38 HydrophobicContact CD1-CD2 4.09Å; Y28-L38 HydrophobicContact CG-CD2 4.11Å; Y28-N93 HydrophobicContact CE1-CB 4.42Å; Y28-S118 VanDerWaalsContact OH-C 3.29Å; Y28-S118 VanDerWaalsContact OH-CB 3.31Å; Y28-S118 WeakPolarHBondContact OH-CB 3.38Å; Y28-S118 PolarHBondContact OH-O 3.42Å; Y28-S118 PolarHBondContact OH-OG 3.34Å; Y28-E119 PolarHBondContact OH-N 3.25Å; Y28-A124 HydrophobicContact CD1-CB 4.21Å; Y28-A124 HydrophobicContact CE1-CB 3.81Å
29Q94.9Very high95.8Very high50 Ų5058.8 Ų58.823%0.23434%0.344CS..Hα-helixtrans-63-33.8176.6-72.9173.9-44.800112.6W25 V26 G31 N93 K125 S155W25-Q29 WeakPolarHBondContact O-CB 3.17Å; W25-Q29 VanDerWaalsContact O-CG 3.25Å; W25-Q29 WeakPolarHBondContact O-CG 3.45Å; W25-Q29 PolarHBondContact O-N 3.43Å; V26-Q29 PolarHBondContact O-N 2.8Å; Q29-G31 PolarHBondContact O-N 2.81Å; Q29-N93 PolarHBondContact NE2-ND2 2.81Å; Q29-K125 WeakPolarHBondContact CG-O 3.43Å; Q29-S155 VanDerWaalsContact NE2-CB 3.35Å
30N94.5Very high95.8Very high120 Ų12058.9 Ų58.964%0.64233%0.332SS*.THydrogen-bonded Turntrans-78.8-5.3174.8-68.2-25.9000113.2V26 D27 Y28 A32V26-N30 WeakPolarHBondContact CG1-ND2 3.25Å; V26-N30 WeakPolarHBondContact O-CB 3.41Å; V26-N30 VanDerWaalsContact O-CG 3.22Å; V26-N30 PolarHBondContact O-N 3.18Å; V26-N30 PolarHBondContact O-ND2 3.35Å; D27-N30 CarbonylContact O-C 3.52Å; D27-N30 PolarHBondContact O-N 3.42Å; Y28-N30 VanDerWaalsContact C-N 3.26Å; Y28-N30 PolarHBondContact O-N 2.87Å; N30-A32 PolarHBondContact O-N 3.11Å
31G93.8Very high95.9Very high65 Ų6556.6 Ų56.667%0.6732%0.321SS*.THydrogen-bonded Turntrans71.315.9-176.700000114.2D27 Y28 Q29D27-G31 PolarHBondContact O-N 3.35Å; D27-G31 VanDerWaalsContact O-N 3.1Å; Y28-G31 PolarHBondContact O-N 2.86Å; Q29-G31 PolarHBondContact O-N 2.81Å
32A96.7Very high95.8Very high72 Ų7256.3 Ų56.360%0.59532%0.319SS*.SBendtrans-75.9-27.7178.300000112.4D27 N30D27-A32 HydrophobicContact CB-CB 4.15Å; D27-A32 WeakPolarHBondContact O-CB 3.31Å; D27-A32 PolarHBondContact O-N 3.31Å; N30-A32 PolarHBondContact O-N 3.11Å
33I96.8Very high95.9Very high32 Ų3250.3 Ų50.316%0.16429%0.293CS..SBendtrans-132.7159.9175.166.8175000111.1L24 D27 Y28 Q37 L38L24-I33 HydrophobicContact CB-CD1 4.07Å; L24-I33 HydrophobicContact CD2-CD1 3.8Å; L24-I33 WeakPolarHBondContact O-CD1 3.47Å; D27-I33 HydrophobicContact CB-CD1 3.99Å; D27-I33 HydrophobicContact CB-CG1 3.89Å; D27-I33 HydrophobicContact CB-CG2 4.33Å; Y28-I33 WeakPolarHBondContact CD2-O 3.46Å; I33-Q37 HydrophobicContact CB-CB 3.95Å; I33-L38 HydrophobicContact CD1-CB 3.95Å
34T95.1Very high95.9Very high74 Ų7452.3 Ų52.345%0.45430%0.297SS..  trans-82.9165.5172.861.20000111.8L36 Q37 L38T34-L36 PolarHBondContact O-N 3.03Å; T34-Q37 PolarHBondContact O-N 3.4Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.43Å; T34-Q37 PolarHBondContact OG1-N 3.46Å; T34-Q37 PolarHBondContact OG1-OE1 3.26Å; T34-L38 PolarHBondContact O-N 3.28Å
35S93.5Very high95.7Very high19 Ų1954.2 Ų54.213%0.13331%0.313CS..Hα-helixtrans-60-34.2173.467.70000111.9L38 Q39 E119S35-L38 PolarHBondContact O-N 3.45Å; S35-Q39 WeakPolarHBondContact O-CB 3.39Å; S35-Q39 WeakPolarHBondContact O-CG 3.5Å; S35-Q39 PolarHBondContact O-N 3.19Å; S35-Q39 PolarHBondContact O-NE2 3Å; S35-E119 WeakPolarHBondContact CB-OE1 3.25Å; S35-E119 WeakPolarHBondContact OG-CG 3.45Å; S35-E119 PolarHBondContact OG-OE1 2.96Å
36L94.3Very high95.7Very high99 Ų9952.1 Ų52.152%0.51831%0.305SS..Hα-helixtrans-66.5-43.9177.4-175.864.5000111.6T34 Q39 H40T34-L36 PolarHBondContact O-N 3.03Å; L36-Q39 PolarHBondContact O-N 2.87Å; L36-H40 WeakPolarHBondContact CD1-NE2 3.43Å; L36-H40 PolarHBondContact O-CD2 2.84Å; L36-H40 PolarHBondContact O-N 3.33Å
37Q96.6Very high95.7Very high101 Ų10148.8 Ų48.847%0.47229%0.285SS..Hα-helixtrans-62.8-41.1175.1-75.3167.6-5900111.7I33 T34 G41I33-Q37 HydrophobicContact CB-CB 3.95Å; T34-Q37 PolarHBondContact O-N 3.4Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.43Å; T34-Q37 PolarHBondContact OG1-N 3.46Å; T34-Q37 PolarHBondContact OG1-OE1 3.26Å; Q37-G41 WeakPolarHBondContact O-CA 3.46Å; Q37-G41 PolarHBondContact O-N 3.06Å
38L96.8Very high95.6Very high0 Ų052.9 Ų52.90%030%0.302CS..Hα-helixtrans-60.1-47.7172.3166.662.3000111.8L24 W25 Y28 I33 T34 S35 H40 R42 F95L24-L38 HydrophobicContact CB-CD1 3.37Å; L24-L38 HydrophobicContact CD1-CD1 4.48Å; W25-L38 HydrophobicContact CD2-CD1 4.42Å; W25-L38 HydrophobicContact CD2-CD2 3.68Å; W25-L38 HydrophobicContact CE3-CD2 3.7Å; W25-L38 HydrophobicContact CG-CD1 4.28Å; W25-L38 HydrophobicContact CG-CD2 4.31Å; W25-L38 HydrophobicContact CH2-CD2 3.86Å; W25-L38 HydrophobicContact CZ2-CD2 3.85Å; W25-L38 HydrophobicContact CZ3-CD2 3.77Å; Y28-L38 HydrophobicContact CD1-CD2 4.09Å; Y28-L38 HydrophobicContact CG-CD2 4.11Å; I33-L38 HydrophobicContact CD1-CB 3.95Å; T34-L38 PolarHBondContact O-N 3.28Å; S35-L38 PolarHBondContact O-N 3.45Å; L38-H40 VanDerWaalsContact C-N 3.33Å; L38-H40 PolarHBondContact O-N 2.89Å; L38-R42 WeakPolarHBondContact O-CB 3.43Å; L38-R42 VanDerWaalsContact O-CG 3.29Å; L38-R42 WeakPolarHBondContact O-CG 3.21Å; L38-R42 PolarHBondContact O-N 3.44Å; L38-F95 HydrophobicContact CD2-CE1 4.1Å; L38-F95 HydrophobicContact CD2-CZ 3.8Å; L38-F95 HydrophobicContact CG-CZ 4.09Å
39Q95.3Very high95.5Very high25 Ų2560.7 Ų60.712%0.11733%0.331CS..Hα-helixtrans-61.5-39.7-178.9-77.6175.974.500112.4S35 L36 N58 F95 E119S35-Q39 WeakPolarHBondContact O-CB 3.39Å; S35-Q39 WeakPolarHBondContact O-CG 3.5Å; S35-Q39 PolarHBondContact O-N 3.19Å; S35-Q39 PolarHBondContact O-NE2 3Å; L36-Q39 PolarHBondContact O-N 2.87Å; Q39-N58 HydrophobicContact CB-CB 4.48Å; Q39-N58 WeakPolarHBondContact CB-OD1 3.45Å; Q39-N58 WeakPolarHBondContact CG-OD1 3.17Å; Q39-N58 PolarHBondContact O-OD1 3Å; Q39-N58 PolarHBondContact OE1-ND2 2.91Å; Q39-F95 HydrophobicContact CG-CD1 3.87Å; Q39-F95 HydrophobicContact CG-CD2 4.35Å; Q39-F95 HydrophobicContact CG-CE1 3.43Å; Q39-F95 VanDerWaalsContact CG-CE1 3.43Å; Q39-F95 HydrophobicContact CG-CE2 3.95Å; Q39-F95 HydrophobicContact CG-CG 4.31Å; Q39-F95 HydrophobicContact CG-CZ 3.47Å; Q39-F95 VanDerWaalsContact CG-CZ 3.47Å; Q39-F95 VanDerWaalsContact NE2-CD1 3.29Å; Q39-E119 PolarHBondContact NE2-OE1 3.5Å
40H96.5Very high95.5Very high70 Ų7059.8 Ų59.832%0.32433%0.328SS..Hα-helixtrans-79.9-50.4179.1-74.8-150.6000111.7L36 L38 R42 F43 E44 P54L36-H40 WeakPolarHBondContact CD1-NE2 3.43Å; L36-H40 PolarHBondContact O-CD2 2.84Å; L36-H40 PolarHBondContact O-N 3.33Å; L38-H40 VanDerWaalsContact C-N 3.33Å; L38-H40 PolarHBondContact O-N 2.89Å; H40-R42 VanDerWaalsContact C-N 3.29Å; H40-R42 PolarHBondContact O-N 3.07Å; H40-F43 CarbonylContact O-C 3.57Å; H40-F43 PolarHBondContact O-N 3.22Å; H40-E44 PolarHBondContact O-N 3.18Å; H40-E44 VanDerWaalsContact O-N 3.1Å; H40-P54 HydrophobicContact CB-CB 4.09Å; H40-P54 WeakPolarHBondContact O-CB 3.36Å
41G97Very high95.5Very high15 Ų1561.3 Ų61.316%0.15534%0.336CS..Hα-helixtrans-59.8-35.9-173.400000113.3Q37 F43 E44Q37-G41 WeakPolarHBondContact O-CA 3.46Å; Q37-G41 PolarHBondContact O-N 3.06Å; G41-F43 PolarHBondContact O-N 2.98Å; G41-F43 VanDerWaalsContact O-N 3.15Å; G41-E44 PolarHBondContact O-N 3.42Å
42R96.5Very high95.6Very high8 Ų859.8 Ų59.83%0.0331%0.314CS..THydrogen-bonded Turntrans-68-13.8178.674.4-174.1-179.4159.7-1114.3Y17 N21 L24 L38 H40 N58Y17-R42 WeakPolarHBondContact CD2-O 3.42Å; Y17-R42 HydrophobicContact CE2-CB 4.08Å; Y17-R42 HydrophobicContact CE2-CG 4.17Å; Y17-R42 WeakPolarHBondContact CE2-O 3.44Å; Y17-R42 PolarHBondContact OH-NH1 3.14Å; N21-R42 HydrophobicContact CB-CB 4.22Å; N21-R42 WeakPolarHBondContact OD1-CD 3.44Å; L24-R42 HydrophobicContact CD1-CB 3.92Å; L24-R42 VanDerWaalsContact CD1-N 3.34Å; L38-R42 WeakPolarHBondContact O-CB 3.43Å; L38-R42 VanDerWaalsContact O-CG 3.29Å; L38-R42 WeakPolarHBondContact O-CG 3.21Å; L38-R42 PolarHBondContact O-N 3.44Å; H40-R42 VanDerWaalsContact C-N 3.29Å; H40-R42 PolarHBondContact O-N 3.07Å; R42-N58 VanDerWaalsContact CZ-OD1 3.31Å; R42-N58 PolarHBondContact NE-OD1 3.37Å; R42-N58 VanDerWaalsContact NE-OD1 3.16Å; R42-N58 PolarHBondContact NH2-OD1 3.48Å
43F96.9Very high95.5Very high2 Ų262.5 Ų62.51%0.00931%0.314CS..THydrogen-bonded Turntrans-119.12.8177.9-70.3-63.7000113.2M1 Y17 H40 G41 S45 W46 A47 P54 L57 N58 F61M1-F43 HydrophobicContact CE-CE1 4.12Å; Y17-F43 HydrophobicContact CD2-CE1 4.19Å; Y17-F43 HydrophobicContact CE2-CD1 4.3Å; Y17-F43 AromaticContact CE2-CE1 3.71Å; Y17-F43 HydrophobicContact CE2-CE1 3.71Å; Y17-F43 AromaticContact CE2-CZ 3.85Å; Y17-F43 HydrophobicContact CE2-CZ 3.85Å; H40-F43 CarbonylContact O-C 3.57Å; H40-F43 PolarHBondContact O-N 3.22Å; G41-F43 PolarHBondContact O-N 2.98Å; G41-F43 VanDerWaalsContact O-N 3.15Å; F43-S45 PolarHBondContact O-N 2.96Å; F43-W46 CarbonylContact O-C 3.59Å; F43-W46 PolarHBondContact O-N 3.04Å; F43-W46 VanDerWaalsContact O-N 3.13Å; F43-A47 VanDerWaalsContact O-CB 3.23Å; F43-A47 WeakPolarHBondContact O-CB 3.36Å; F43-A47 PolarHBondContact O-N 3.41Å; F43-P54 HydrophobicContact CB-CB 4.42Å; F43-L57 HydrophobicContact CB-CB 4Å; F43-L57 HydrophobicContact CB-CD1 4.22Å; F43-L57 HydrophobicContact CD1-CB 4.05Å; F43-L57 HydrophobicContact CD2-CB 4.37Å; F43-L57 HydrophobicContact CG-CB 3.88Å; F43-N58 HydrophobicContact CD2-CB 3.78Å; F43-N58 HydrophobicContact CE2-CB 3.98Å; F43-F61 HydrophobicContact CE1-CB 4.49Å; F43-F61 HydrophobicContact CE2-CB 4Å; F43-F61 HydrophobicContact CE2-CD1 4.15Å; F43-F61 HydrophobicContact CE2-CG 4.2Å; F43-F61 HydrophobicContact CZ-CB 3.58Å; F43-F61 AromaticContact CZ-CD1 3.78Å; F43-F61 HydrophobicContact CZ-CD1 3.78Å; F43-F61 HydrophobicContact CZ-CD2 4.08Å; F43-F61 HydrophobicContact CZ-CE1 4.47Å; F43-F61 AromaticContact CZ-CG 3.55Å; F43-F61 HydrophobicContact CZ-CG 3.55Å
44E96Very high95.5Very high109 Ų10961.9 Ų61.951%0.50931%0.312SS..Hα-helixtrans-58.8-48.7-171-171153.9-147.900112.5H40 G41 W46 A47 E48H40-E44 PolarHBondContact O-N 3.18Å; H40-E44 VanDerWaalsContact O-N 3.1Å; G41-E44 PolarHBondContact O-N 3.42Å; E44-W46 VanDerWaalsContact C-N 3.32Å; E44-W46 PolarHBondContact O-N 3.3Å; E44-A47 WeakPolarHBondContact O-CB 3.31Å; E44-A47 PolarHBondContact O-N 2.71Å; E44-A47 VanDerWaalsContact O-N 3.17Å; E44-E48 WeakPolarHBondContact O-CG 3.49Å; E44-E48 PolarHBondContact O-N 3.4Å
45S94.4Very high95.4Very high70 Ų7059.4 Ų59.449%0.4930%0.302SS..Hα-helixtrans-62.1-37.717760.50000113.3F43 R49F43-S45 PolarHBondContact O-N 2.96Å; S45-R49 WeakPolarHBondContact O-CB 3.42Å; S45-R49 PolarHBondContact O-N 2.7Å; S45-R49 VanDerWaalsContact O-N 3.07Å
46W95.5Very high95.4Very high16 Ų1664.4 Ų64.46%0.06132%0.321CS..Hα-helixtrans-71-38175.8-82.3107.8000112F2 V7 F9 D13 F43 E44 R49 L50 L57F2-W46 HydrophobicContact CD1-CE3 4.24Å; F2-W46 HydrophobicContact CE1-CB 4.18Å; F2-W46 AromaticContact CE1-CD2 3.64Å; F2-W46 HydrophobicContact CE1-CD2 3.64Å; F2-W46 AromaticContact CE1-CE3 3.63Å; F2-W46 HydrophobicContact CE1-CE3 3.63Å; F2-W46 AromaticContact CE1-CG 3.9Å; F2-W46 HydrophobicContact CE1-CG 3.9Å; F2-W46 HydrophobicContact CE1-CZ3 4.28Å; F2-W46 HydrophobicContact CZ-CB 4.39Å; F2-W46 AromaticContact CZ-CD2 3.88Å; F2-W46 HydrophobicContact CZ-CD2 3.88Å; F2-W46 HydrophobicContact CZ-CE3 4.31Å; F2-W46 AromaticContact CZ-CG 3.89Å; F2-W46 HydrophobicContact CZ-CG 3.89Å; V7-W46 HydrophobicContact CG1-CH2 4.25Å; V7-W46 HydrophobicContact CG1-CZ3 4.02Å; F9-W46 HydrophobicContact CD2-CH2 4.48Å; F9-W46 HydrophobicContact CD2-CZ2 4.19Å; F9-W46 AromaticContact CE2-CZ2 3.86Å; F9-W46 HydrophobicContact CE2-CZ2 3.86Å; D13-W46 HydrophobicContact CB-CH2 4.4Å; D13-W46 HydrophobicContact CB-CZ2 3.83Å; D13-W46 WeakPolarHBondContact OD1-CH2 3.24Å; D13-W46 WeakPolarHBondContact OD1-CZ2 3.17Å; F43-W46 CarbonylContact O-C 3.59Å; F43-W46 PolarHBondContact O-N 3.04Å; F43-W46 VanDerWaalsContact O-N 3.13Å; E44-W46 VanDerWaalsContact C-N 3.32Å; E44-W46 PolarHBondContact O-N 3.3Å; W46-R49 PolarHBondContact O-N 3.19Å; W46-L50 HydrophobicContact CE3-CD1 4.3Å; W46-L50 HydrophobicContact CE3-CG 4.4Å; W46-L50 VanDerWaalsContact O-CB 3.28Å; W46-L50 WeakPolarHBondContact O-CB 3.19Å; W46-L50 WeakPolarHBondContact O-CG 3.41Å; W46-L50 PolarHBondContact O-N 3.26Å; W46-L57 HydrophobicContact CB-CD1 3.76Å
47A95.6Very high95.5Very high3 Ų359.7 Ų59.73%0.02530%0.296CS..Hα-helixtrans-63.3-44.217800000110.8F43 E44 L50 N51 V52 P54 L57F43-A47 VanDerWaalsContact O-CB 3.23Å; F43-A47 WeakPolarHBondContact O-CB 3.36Å; F43-A47 PolarHBondContact O-N 3.41Å; E44-A47 WeakPolarHBondContact O-CB 3.31Å; E44-A47 PolarHBondContact O-N 2.71Å; E44-A47 VanDerWaalsContact O-N 3.17Å; A47-L50 PolarHBondContact O-N 3.01Å; A47-N51 WeakPolarHBondContact O-CA 3.4Å; A47-N51 PolarHBondContact O-N 3.21Å; A47-V52 CarbonylContact C-O 3.52Å; A47-V52 VanDerWaalsContact CB-O 3.32Å; A47-V52 WeakPolarHBondContact CB-O 3.44Å; A47-V52 PolarHBondContact O-N 3.34Å; A47-P54 HydrophobicContact CB-CB 3.9Å; A47-P54 HydrophobicContact CB-CG 3.52Å; A47-L57 HydrophobicContact CB-CD1 4.08Å
48E95.5Very high95.3Very high148 Ų14855.2 Ų55.269%0.69228%0.276SS*.Hα-helixtrans-60.2-50.4172.1-72.1-179.1169.900111.6E44 L50 N51E44-E48 WeakPolarHBondContact O-CG 3.49Å; E44-E48 PolarHBondContact O-N 3.4Å; E48-L50 VanDerWaalsContact C-N 3.26Å; E48-L50 PolarHBondContact O-N 3.3Å; E48-N51 PolarHBondContact O-N 3.45Å
49R94Very high95.1Very high176 Ų17661 Ų6166%0.66430%0.302SS*.Hα-helixtrans-60.7-35.7-179-175.4176.4-179.3-1772.4112.8S45 W46S45-R49 WeakPolarHBondContact O-CB 3.42Å; S45-R49 PolarHBondContact O-N 2.7Å; S45-R49 VanDerWaalsContact O-N 3.07Å; W46-R49 PolarHBondContact O-N 3.19Å
50L94.4Very high94.9Very high31 Ų3161.1 Ų61.116%0.16231%0.308CS..Hα-helixtrans-94.7-3.3-177.4-61.6179000113.2F2 Y5 V7 W46 A47 E48 V52 L57F2-L50 HydrophobicContact CD1-CD1 3.87Å; F2-L50 HydrophobicContact CE1-CD1 3.87Å; Y5-L50 HydrophobicContact CD2-CD1 3.99Å; Y5-L50 HydrophobicContact CG-CD1 4.02Å; V7-L50 HydrophobicContact CG2-CD2 3.73Å; W46-L50 HydrophobicContact CE3-CD1 4.3Å; W46-L50 HydrophobicContact CE3-CG 4.4Å; W46-L50 VanDerWaalsContact O-CB 3.28Å; W46-L50 WeakPolarHBondContact O-CB 3.19Å; W46-L50 WeakPolarHBondContact O-CG 3.41Å; W46-L50 PolarHBondContact O-N 3.26Å; A47-L50 PolarHBondContact O-N 3.01Å; E48-L50 VanDerWaalsContact C-N 3.26Å; E48-L50 PolarHBondContact O-N 3.3Å; L50-V52 HydrophobicContact CB-CG2 4.01Å; L50-V52 PolarHBondContact O-N 3.41Å; L50-L57 HydrophobicContact CD1-CD1 4.3Å; L50-L57 HydrophobicContact CD1-CD2 4.11Å
51N95.1Very high94.6Very high152 Ų15260.1 Ų60.181%0.81330%0.303SS*.THydrogen-bonded Turntrans5251.4-174.9-168.944.5000112.6A47 E48A47-N51 WeakPolarHBondContact O-CA 3.4Å; A47-N51 PolarHBondContact O-N 3.21Å; E48-N51 PolarHBondContact O-N 3.45Å
52V95.2Very high94.2Very high34 Ų3459.9 Ų59.921%0.20630%0.298CS..SBendtrans-133165.6176.5-63.10000110.9Y5 A47 L50 L57Y5-V52 HydrophobicContact CD1-CG1 4.39Å; Y5-V52 HydrophobicContact CE1-CG1 3.62Å; A47-V52 CarbonylContact C-O 3.52Å; A47-V52 VanDerWaalsContact CB-O 3.32Å; A47-V52 WeakPolarHBondContact CB-O 3.44Å; A47-V52 PolarHBondContact O-N 3.34Å; L50-V52 HydrophobicContact CB-CG2 4.01Å; L50-V52 PolarHBondContact O-N 3.41Å; V52-L57 HydrophobicContact CG2-CD1 3.94Å; V52-L57 HydrophobicContact CG2-CD2 3.96Å; V52-L57 HydrophobicContact CG2-CG 3.75Å
53E95.1Very high93.7Very high128 Ų12863 Ų6360%0.59832%0.315SS*.  trans-70.4133.9172.1-69.2-63.3144.700111.1G55 K56E53-G55 PolarHBondContact O-N 3.31Å; E53-K56 HydrophobicContact CB-CD 4.49Å; E53-K56 HydrophobicContact CB-CG 4.26Å; E53-K56 WeakPolarHBondContact O-CB 3.44Å; E53-K56 PolarHBondContact O-N 3.1Å
54P95.6Very high93.3Very high20 Ų2064.9 Ų64.913%0.1333%0.331CS..Hα-helixtrans-54.9-36.5177.3-21.928000113.2H40 F43 A47 K56 L57 N58H40-P54 HydrophobicContact CB-CB 4.09Å; H40-P54 WeakPolarHBondContact O-CB 3.36Å; F43-P54 HydrophobicContact CB-CB 4.42Å; A47-P54 HydrophobicContact CB-CB 3.9Å; A47-P54 HydrophobicContact CB-CG 3.52Å; P54-K56 VanDerWaalsContact C-N 3.25Å; P54-K56 PolarHBondContact O-N 3.13Å; P54-L57 PolarHBondContact O-N 2.93Å; P54-L57 VanDerWaalsContact O-N 3.17Å; P54-N58 PolarHBondContact O-N 2.91Å
55G93.8Very high92.9Very high22 Ų2261.4 Ų61.423%0.22732%0.315CS..Hα-helixtrans-58.2-33.9176.500000113.5E53 N58 E59E53-G55 PolarHBondContact O-N 3.31Å; G55-N58 WeakPolarHBondContact O-CB 3.39Å; G55-N58 PolarHBondContact O-N 3.16Å; G55-E59 WeakPolarHBondContact O-CB 3.41Å; G55-E59 PolarHBondContact O-N 3.25Å
56K94Very high92.3Very high124 Ų12458.1 Ų58.154%0.53929%0.292SS..Hα-helixtrans-69.9-40.1176.9-72-176.1175.1-1800112.1E53 P54 N58 E59 A60E53-K56 HydrophobicContact CB-CD 4.49Å; E53-K56 HydrophobicContact CB-CG 4.26Å; E53-K56 WeakPolarHBondContact O-CB 3.44Å; E53-K56 PolarHBondContact O-N 3.1Å; P54-K56 VanDerWaalsContact C-N 3.25Å; P54-K56 PolarHBondContact O-N 3.13Å; K56-N58 VanDerWaalsContact C-N 3.32Å; K56-E59 PolarHBondContact O-N 3.37Å; K56-A60 WeakPolarHBondContact O-CB 3.42Å; K56-A60 PolarHBondContact O-N 3.35Å
57L95Very high91.6Very high0 Ų064.1 Ų64.10%032%0.321CS..Hα-helixtrans-65.4-40.7174.3-65.2-178.5000110.6Y5 F43 W46 A47 L50 V52 P54 A60 F61Y5-L57 HydrophobicContact CD2-CD2 4.36Å; Y5-L57 HydrophobicContact CE2-CD2 3.66Å; F43-L57 HydrophobicContact CB-CB 4Å; F43-L57 HydrophobicContact CB-CD1 4.22Å; F43-L57 HydrophobicContact CD1-CB 4.05Å; F43-L57 HydrophobicContact CD2-CB 4.37Å; F43-L57 HydrophobicContact CG-CB 3.88Å; W46-L57 HydrophobicContact CB-CD1 3.76Å; A47-L57 HydrophobicContact CB-CD1 4.08Å; L50-L57 HydrophobicContact CD1-CD1 4.3Å; L50-L57 HydrophobicContact CD1-CD2 4.11Å; V52-L57 HydrophobicContact CG2-CD1 3.94Å; V52-L57 HydrophobicContact CG2-CD2 3.96Å; V52-L57 HydrophobicContact CG2-CG 3.75Å; P54-L57 PolarHBondContact O-N 2.93Å; P54-L57 VanDerWaalsContact O-N 3.17Å; L57-A60 PolarHBondContact O-N 3.33Å; L57-F61 VanDerWaalsContact O-CB 3.3Å; L57-F61 WeakPolarHBondContact O-CB 3.39Å; L57-F61 PolarHBondContact O-N 3.49Å
58N94.3Very high91.1Very high7 Ų770.3 Ų70.34%0.03735%0.352CS..Hα-helixtrans-61.1-45.5175-178.578.1000113Q39 R42 F43 P54 G55 K56 F61 I62Q39-N58 HydrophobicContact CB-CB 4.48Å; Q39-N58 WeakPolarHBondContact CB-OD1 3.45Å; Q39-N58 WeakPolarHBondContact CG-OD1 3.17Å; Q39-N58 PolarHBondContact O-OD1 3Å; Q39-N58 PolarHBondContact OE1-ND2 2.91Å; R42-N58 VanDerWaalsContact CZ-OD1 3.31Å; R42-N58 PolarHBondContact NE-OD1 3.37Å; R42-N58 VanDerWaalsContact NE-OD1 3.16Å; R42-N58 PolarHBondContact NH2-OD1 3.48Å; F43-N58 HydrophobicContact CD2-CB 3.78Å; F43-N58 HydrophobicContact CE2-CB 3.98Å; P54-N58 PolarHBondContact O-N 2.91Å; G55-N58 WeakPolarHBondContact O-CB 3.39Å; G55-N58 PolarHBondContact O-N 3.16Å; K56-N58 VanDerWaalsContact C-N 3.32Å; N58-F61 WeakPolarHBondContact O-CB 3.47Å; N58-F61 PolarHBondContact O-N 2.98Å; N58-I62 WeakPolarHBondContact ND2-CD1 3.31Å; N58-I62 WeakPolarHBondContact O-CG1 3.41Å; N58-I62 PolarHBondContact O-N 3.2Å
59E91.4Very high90.4Very high120 Ų12065.1 Ų65.156%0.56133%0.331SS*.Hα-helixtrans-60.9-48.4176.6-175.2-178.8-177.600111.3G55 K56 F61 I62 N63G55-E59 WeakPolarHBondContact O-CB 3.41Å; G55-E59 PolarHBondContact O-N 3.25Å; K56-E59 PolarHBondContact O-N 3.37Å; E59-F61 VanDerWaalsContact C-N 3.27Å; E59-F61 PolarHBondContact O-N 2.85Å; E59-I62 PolarHBondContact O-N 3.21Å; E59-N63 PolarHBondContact O-N 2.95Å; E59-N63 PolarHBondContact O-ND2 2.84Å
60A91.2Very high90.1Very high28 Ų2862.2 Ų62.223%0.23133%0.333CS..Hα-helixtrans-61-37.1176.600000112.2M1 K56 L57 A64M1-A60 HydrophobicContact CB-CB 4.23Å; M1-A60 HydrophobicContact CG-CB 3.6Å; M1-A60 HydrophobicContact SD-CB 3.79Å; K56-A60 WeakPolarHBondContact O-CB 3.42Å; K56-A60 PolarHBondContact O-N 3.35Å; L57-A60 PolarHBondContact O-N 3.33Å; A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 3.31Å
61F91.2Very high89.9Confident49 Ų4963.3 Ų63.322%0.21534%0.343CS..Hα-helixtrans-67.1-44.7176.5-179.1-111000111.9M1 F43 L57 N58 E59 N63 A64 M65M1-F61 HydrophobicContact CE-CB 4.26Å; M1-F61 HydrophobicContact CE-CD2 4.34Å; M1-F61 VanDerWaalsContact SD-CA 3.52Å; M1-F61 HydrophobicContact SD-CB 3.62Å; M1-F61 HydrophobicContact SD-CD2 4.5Å; M1-F61 PolarHBondContact SD-N 3.21Å; F43-F61 HydrophobicContact CE1-CB 4.49Å; F43-F61 HydrophobicContact CE2-CB 4Å; F43-F61 HydrophobicContact CE2-CD1 4.15Å; F43-F61 HydrophobicContact CE2-CG 4.2Å; F43-F61 HydrophobicContact CZ-CB 3.58Å; F43-F61 AromaticContact CZ-CD1 3.78Å; F43-F61 HydrophobicContact CZ-CD1 3.78Å; F43-F61 HydrophobicContact CZ-CD2 4.08Å; F43-F61 HydrophobicContact CZ-CE1 4.47Å; F43-F61 AromaticContact CZ-CG 3.55Å; F43-F61 HydrophobicContact CZ-CG 3.55Å; L57-F61 VanDerWaalsContact O-CB 3.3Å; L57-F61 WeakPolarHBondContact O-CB 3.39Å; L57-F61 PolarHBondContact O-N 3.49Å; N58-F61 WeakPolarHBondContact O-CB 3.47Å; N58-F61 PolarHBondContact O-N 2.98Å; E59-F61 VanDerWaalsContact C-N 3.27Å; E59-F61 PolarHBondContact O-N 2.85Å; F61-N63 VanDerWaalsContact C-N 3.35Å; F61-N63 PolarHBondContact O-N 2.9Å; F61-A64 PolarHBondContact O-N 2.67Å; F61-M65 HydrophobicContact CD1-CE 3.5Å; F61-M65 VanDerWaalsContact CD1-CE 3.5Å; F61-M65 HydrophobicContact CD1-CG 4.41Å; F61-M65 HydrophobicContact CD1-SD 4.01Å; F61-M65 HydrophobicContact CE1-CE 3.34Å; F61-M65 HydrophobicContact CE1-CG 4.06Å; F61-M65 HydrophobicContact CE1-SD 3.31Å; F61-M65 WeakPolarHBondContact CE1-SD 3.49Å; F61-M65 HydrophobicContact CE2-CG 4.17Å; F61-M65 HydrophobicContact CE2-SD 4.32Å; F61-M65 HydrophobicContact CG-CE 4.41Å; F61-M65 HydrophobicContact CZ-CE 4.13Å; F61-M65 HydrophobicContact CZ-CG 3.92Å; F61-M65 HydrophobicContact CZ-SD 3.49Å; F61-M65 WeakPolarHBondContact CZ-SD 3.38Å; F61-M65 WeakPolarHBondContact O-CB 3.27Å; F61-M65 WeakPolarHBondContact O-CG 3.21Å; F61-M65 PolarHBondContact O-N 2.99Å
62I88.6Confident89.7Confident10 Ų1061.3 Ų61.35%0.05133%0.331CS..Hα-helixtrans-59.5-46.4175.8-75.5172.2000110.6N58 E59 A64 M65 A66 F95 L98N58-I62 WeakPolarHBondContact ND2-CD1 3.31Å; N58-I62 WeakPolarHBondContact O-CG1 3.41Å; N58-I62 PolarHBondContact O-N 3.2Å; E59-I62 PolarHBondContact O-N 3.21Å; I62-A64 PolarHBondContact O-N 3.44Å; I62-M65 HydrophobicContact CG1-CE 4.13Å; I62-M65 PolarHBondContact O-N 2.9Å; I62-A66 WeakPolarHBondContact O-CB 3.38Å; I62-A66 PolarHBondContact O-N 2.67Å; I62-F95 HydrophobicContact CD1-CB 4.25Å; I62-F95 HydrophobicContact CD1-CD2 3.92Å; I62-F95 HydrophobicContact CD1-CG 4.33Å; I62-F95 HydrophobicContact CG1-CD2 4.39Å; I62-L98 HydrophobicContact CG2-CB 3.92Å; I62-L98 HydrophobicContact CG2-CD1 4.11Å
63N85.6Confident89.7Confident75 Ų7565.3 Ų65.340%0.40136%0.358SS..Hα-helixtrans-62.2-45.2179.2-71.7-25.1000111.8E59 F61 M65 A66 E67E59-N63 PolarHBondContact O-N 2.95Å; E59-N63 PolarHBondContact O-ND2 2.84Å; F61-N63 VanDerWaalsContact C-N 3.35Å; F61-N63 PolarHBondContact O-N 2.9Å; N63-M65 PolarHBondContact O-N 2.99Å; N63-A66 WeakPolarHBondContact O-CB 3.39Å; N63-A66 PolarHBondContact O-N 2.92Å; N63-E67 PolarHBondContact O-N 2.87Å; N63-E67 VanDerWaalsContact O-N 3.16Å
64A88.2Confident89.7Confident40 Ų4060.6 Ų60.633%0.33134%0.344SS..Hα-helixtrans-62.7-43.5176.400000112.3A60 F61 I62 A66 E67 I68A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 3.31Å; F61-A64 PolarHBondContact O-N 2.67Å; I62-A64 PolarHBondContact O-N 3.44Å; A64-A66 VanDerWaalsContact C-N 3.25Å; A64-A66 PolarHBondContact O-N 3.35Å; A64-E67 PolarHBondContact O-N 3.46Å; A64-E67 VanDerWaalsContact O-N 3.14Å; A64-I68 PolarHBondContact O-N 2.83Å
65M86.7Confident89.7Confident37 Ų3760.3 Ų60.318%0.18234%0.343CS..Hα-helixtrans-61.9-34.5175.4-77.4-166.5-60.300112.7F61 I62 N63 E67 C69 L98F61-M65 HydrophobicContact CD1-CE 3.5Å; F61-M65 VanDerWaalsContact CD1-CE 3.5Å; F61-M65 HydrophobicContact CD1-CG 4.41Å; F61-M65 HydrophobicContact CD1-SD 4.01Å; F61-M65 HydrophobicContact CE1-CE 3.34Å; F61-M65 HydrophobicContact CE1-CG 4.06Å; F61-M65 HydrophobicContact CE1-SD 3.31Å; F61-M65 WeakPolarHBondContact CE1-SD 3.49Å; F61-M65 HydrophobicContact CE2-CG 4.17Å; F61-M65 HydrophobicContact CE2-SD 4.32Å; F61-M65 HydrophobicContact CG-CE 4.41Å; F61-M65 HydrophobicContact CZ-CE 4.13Å; F61-M65 HydrophobicContact CZ-CG 3.92Å; F61-M65 HydrophobicContact CZ-SD 3.49Å; F61-M65 WeakPolarHBondContact CZ-SD 3.38Å; F61-M65 WeakPolarHBondContact O-CB 3.27Å; F61-M65 WeakPolarHBondContact O-CG 3.21Å; F61-M65 PolarHBondContact O-N 2.99Å; I62-M65 HydrophobicContact CG1-CE 4.13Å; I62-M65 PolarHBondContact O-N 2.9Å; N63-M65 PolarHBondContact O-N 2.99Å; M65-E67 VanDerWaalsContact C-N 3.29Å; M65-C69 PolarHBondContact O-N 3.27Å; M65-L98 HydrophobicContact CB-CD1 4.12Å; M65-L98 HydrophobicContact CE-CD1 4.34Å; M65-L98 HydrophobicContact CE-CD2 3.57Å; M65-L98 HydrophobicContact SD-CD2 4.49Å
66A82.3Confident89.7Confident1 Ų162.4 Ų62.41%0.00835%0.351CS..Hα-helixtrans-71.1-25.3177.500000112.5I62 N63 A64 L98 V101 R105I62-A66 WeakPolarHBondContact O-CB 3.38Å; I62-A66 PolarHBondContact O-N 2.67Å; N63-A66 WeakPolarHBondContact O-CB 3.39Å; N63-A66 PolarHBondContact O-N 2.92Å; A64-A66 VanDerWaalsContact C-N 3.25Å; A64-A66 PolarHBondContact O-N 3.35Å; A66-L98 HydrophobicContact CB-CD1 4.01Å; A66-V101 HydrophobicContact CB-CB 4.23Å; A66-V101 HydrophobicContact CB-CG1 3.6Å; A66-R105 WeakPolarHBondContact O-CD 3.49Å; A66-R105 PolarHBondContact O-NH1 2.63Å
67E81Confident89.8Confident141 Ų14159.2 Ų59.266%0.65935%0.345SS*.Hα-helixtrans-73.8-32.6177.9-73.9177.6178.300112.9N63 A64 M65N63-E67 PolarHBondContact O-N 2.87Å; N63-E67 VanDerWaalsContact O-N 3.16Å; A64-E67 PolarHBondContact O-N 3.46Å; A64-E67 VanDerWaalsContact O-N 3.14Å; M65-E67 VanDerWaalsContact C-N 3.29Å
68I84.2Confident89.9Confident134 Ų13459.9 Ų59.969%0.68735%0.348SS*.SBendtrans-97.73.5-177.265.1174.1000113.2A64 T70A64-I68 PolarHBondContact O-N 2.83Å; I68-T70 PolarHBondContact O-N 3.02Å
69C82.5Confident90Very high38 Ų3860.3 Ų60.326%0.25735%0.35SS..  trans-75.3118.4-174.9-169.60000111.2M65 R102M65-C69 PolarHBondContact O-N 3.27Å; C69-R102 HydrophobicContact CB-CG 3.96Å; C69-R102 VanDerWaalsContact SG-CG 3.58Å
70T86.9Confident90.1Very high115 Ų11558.4 Ų58.471%0.70634%0.344SS*.  trans-119.3147.8171.953.90000110.4I68I68-T70 PolarHBondContact O-N 3.02Å
71P89.4Confident90.3Very high55 Ų5558.6 Ų58.636%0.35735%0.345SS..PPolyproline II helixtrans-61.8147172.1-2133.7000111.1A75 T106 L108P71-A75 HydrophobicContact CB-CB 4.04Å; P71-T106 HydrophobicContact CG-CG2 3.9Å; P71-L108 HydrophobicContact CB-CD1 4.15Å; P71-L108 HydrophobicContact CG-CD1 3.92Å
72L92.4Very high90.4Very high109 Ų10957.6 Ų57.657%0.57134%0.342SS*.PPolyproline II helixtrans-58.9147.5171.6-70.5175.3000110.8G74 A75 L170 L190L72-G74 PolarHBondContact O-N 3.01Å; L72-A75 WeakPolarHBondContact O-CB 3.43Å; L72-A75 PolarHBondContact O-N 3.04Å; L72-L170 HydrophobicContact CD1-CD2 4.08Å; L72-L190 HydrophobicContact CB-CD1 3.73Å; L72-L190 HydrophobicContact CD1-CD1 4.31Å
73P94.4Very high90.5Very high119 Ų11963.3 Ų63.377%0.77336%0.363SS*.THydrogen-bonded Turntrans-51.4129.1171.8-26.735.1000111.5A75P73-A75 VanDerWaalsContact C-N 3.33Å; P73-A75 PolarHBondContact O-N 3.46Å
74G95.5Very high90.7Very high29 Ų2963.4 Ų63.430%0.29938%0.382SS..THydrogen-bonded Turntrans85.3-8.9-177.700000115.4L72 V76 S77 L78L72-G74 PolarHBondContact O-N 3.01Å; G74-V76 PolarHBondContact O-N 3.37Å; G74-S77 WeakPolarHBondContact O-CB 3.49Å; G74-S77 PolarHBondContact O-N 3.2Å; G74-L78 WeakPolarHBondContact O-CB 3.43Å; G74-L78 PolarHBondContact O-N 3.27Å
75A95.3Very high90.9Very high14 Ų1468.3 Ų68.312%0.11640%0.403CS..Hα-helixtrans-58.5-48.4-178.200000112.9P71 L72 P73 S77 L78 L79 L190P71-A75 HydrophobicContact CB-CB 4.04Å; L72-A75 WeakPolarHBondContact O-CB 3.43Å; L72-A75 PolarHBondContact O-N 3.04Å; P73-A75 VanDerWaalsContact C-N 3.33Å; P73-A75 PolarHBondContact O-N 3.46Å; A75-S77 VanDerWaalsContact C-N 3.33Å; A75-S77 PolarHBondContact O-N 3.32Å; A75-L78 PolarHBondContact O-N 3.02Å; A75-L79 VanDerWaalsContact O-CB 3.3Å; A75-L79 WeakPolarHBondContact O-CB 3.44Å; A75-L79 WeakPolarHBondContact O-CG 3.27Å; A75-L79 PolarHBondContact O-N 3.39Å; A75-L190 HydrophobicContact CB-CD1 3.64Å
76V94.6Very high91.2Very high66 Ų6669.2 Ų69.240%0.442%0.416SS..Hα-helixtrans-63.7-40.2178.8-179.40000111.4G74 N80 L108G74-V76 PolarHBondContact O-N 3.37Å; V76-N80 WeakPolarHBondContact O-CB 3.25Å; V76-N80 VanDerWaalsContact O-CG 3.31Å; V76-N80 PolarHBondContact O-N 2.89Å; V76-N80 PolarHBondContact O-ND2 2.99Å; V76-N80 VanDerWaalsContact O-ND2 3.14Å; V76-L108 HydrophobicContact CG2-CD2 4.21Å
77S95.8Very high91.8Very high57 Ų5776.4 Ų76.440%0.39945%0.447SS..Hα-helixtrans-61.5-54.1178.3-173.10000110.8G74 A75 L79 N80 A81 E194G74-S77 WeakPolarHBondContact O-CB 3.49Å; G74-S77 PolarHBondContact O-N 3.2Å; A75-S77 VanDerWaalsContact C-N 3.33Å; A75-S77 PolarHBondContact O-N 3.32Å; S77-L79 PolarHBondContact O-N 3.13Å; S77-N80 WeakPolarHBondContact O-CB 3.29Å; S77-N80 PolarHBondContact O-N 3.23Å; S77-A81 PolarHBondContact O-N 2.96Å; S77-E194 VanDerWaalsContact CB-OE2 3.31Å; S77-E194 WeakPolarHBondContact CB-OE2 3.34Å; S77-E194 PolarHBondContact OG-OE2 3.29Å
78L96.4Very high92.6Very high14 Ų1470.6 Ų70.67%0.07342%0.42CS..Hα-helixtrans-56.3-50.9178171.163.6000111.3G74 A75 N80 A81 I82 L190 L193 E194 L197G74-L78 WeakPolarHBondContact O-CB 3.43Å; G74-L78 PolarHBondContact O-N 3.27Å; A75-L78 PolarHBondContact O-N 3.02Å; L78-N80 VanDerWaalsContact C-N 3.29Å; L78-N80 PolarHBondContact O-N 2.84Å; L78-A81 PolarHBondContact O-N 3.5Å; L78-A81 VanDerWaalsContact O-N 3.11Å; L78-I82 HydrophobicContact CD1-CG2 4.11Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.36Å; L78-I82 VanDerWaalsContact O-N 3.09Å; L78-L190 HydrophobicContact CD2-CB 4.24Å; L78-L190 HydrophobicContact CD2-CD2 3.92Å; L78-L193 HydrophobicContact CD1-CG 4.24Å; L78-L193 HydrophobicContact CD2-CB 4.39Å; L78-L193 HydrophobicContact CD2-CD2 3.62Å; L78-L193 HydrophobicContact CD2-CG 4.04Å; L78-E194 HydrophobicContact CB-CB 4.44Å; L78-E194 HydrophobicContact CD1-CB 3.85Å; L78-E194 HydrophobicContact CD1-CG 4.3Å; L78-E194 PolarHBondContact N-OE2 3.07Å; L78-L197 HydrophobicContact CD1-CD1 4.16Å
79L95.8Very high93.1Very high15 Ų1566.4 Ų66.48%0.07941%0.41CS..Hα-helixtrans-59.5-40-179.4-74173.6000111.6A75 S77 R83 I88 L108 Y111 F112A75-L79 VanDerWaalsContact O-CB 3.3Å; A75-L79 WeakPolarHBondContact O-CB 3.44Å; A75-L79 WeakPolarHBondContact O-CG 3.27Å; A75-L79 PolarHBondContact O-N 3.39Å; S77-L79 PolarHBondContact O-N 3.13Å; L79-R83 WeakPolarHBondContact O-CB 3.11Å; L79-R83 PolarHBondContact O-N 3.47Å; L79-R83 VanDerWaalsContact O-N 3.12Å; L79-I88 HydrophobicContact CD2-CD1 3.84Å; L79-I88 HydrophobicContact CD2-CG2 4.07Å; L79-L108 HydrophobicContact CD1-CD1 4.23Å; L79-L108 HydrophobicContact CD1-CD2 4.02Å; L79-Y111 HydrophobicContact CB-CD1 3.58Å; L79-Y111 HydrophobicContact CB-CE1 3.89Å; L79-Y111 HydrophobicContact CB-CG 4.21Å; L79-Y111 HydrophobicContact CD1-CD1 4.44Å; L79-Y111 HydrophobicContact CD1-CG 4.25Å; L79-Y111 HydrophobicContact CG-CD1 4.47Å; L79-F112 HydrophobicContact CD1-CE2 4.43Å; L79-F112 HydrophobicContact CD1-CZ 4.1Å; L79-F112 HydrophobicContact CD2-CE1 4.11Å; L79-F112 HydrophobicContact CD2-CZ 4.04Å
80N94.4Very high93.8Very high80 Ų8066 Ų6643%0.42841%0.405SS..Hα-helixtrans-65-42.5173.9-77.7-34.8000112.4V76 S77 L78 I82 R83 Y111V76-N80 WeakPolarHBondContact O-CB 3.25Å; V76-N80 VanDerWaalsContact O-CG 3.31Å; V76-N80 PolarHBondContact O-N 2.89Å; V76-N80 PolarHBondContact O-ND2 2.99Å; V76-N80 VanDerWaalsContact O-ND2 3.14Å; S77-N80 WeakPolarHBondContact O-CB 3.29Å; S77-N80 PolarHBondContact O-N 3.23Å; L78-N80 VanDerWaalsContact C-N 3.29Å; L78-N80 PolarHBondContact O-N 2.84Å; N80-I82 VanDerWaalsContact C-N 3.33Å; N80-I82 PolarHBondContact O-N 3.27Å; N80-R83 WeakPolarHBondContact O-CB 3.46Å; N80-R83 PolarHBondContact O-N 3.26Å; N80-Y111 WeakPolarHBondContact OD1-CE1 3.37Å; N80-Y111 PolarHBondContact OD1-OH 2.78Å
81A94.6Very high94.3Very high32 Ų3262 Ų6226%0.26438%0.379SS..Hα-helixtrans-64.8-35.5-176.900000112.9S77 L78 E194S77-A81 PolarHBondContact O-N 2.96Å; L78-A81 PolarHBondContact O-N 3.5Å; L78-A81 VanDerWaalsContact O-N 3.11Å; A81-E194 HydrophobicContact CB-CG 3.85Å
82I94.4Very high94.6Very high29 Ų2960.3 Ų60.315%0.14937%0.368CS..Hα-helixtrans-92.6-11.1-179.969.5176.6000113.2L78 N80 G84 N85 A86 I88 L197L78-I82 HydrophobicContact CD1-CG2 4.11Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.36Å; L78-I82 VanDerWaalsContact O-N 3.09Å; N80-I82 VanDerWaalsContact C-N 3.33Å; N80-I82 PolarHBondContact O-N 3.27Å; I82-G84 PolarHBondContact O-N 3.31Å; I82-N85 PolarHBondContact O-N 3.02Å; I82-A86 PolarHBondContact O-N 3.5Å; I82-I88 HydrophobicContact CD1-CD1 3.7Å; I82-I88 HydrophobicContact CD1-CG1 4.1Å; I82-I88 HydrophobicContact CG1-CD1 3.69Å; I82-I88 HydrophobicContact CG1-CG1 4.38Å; I82-L197 HydrophobicContact CG2-CB 4.41Å; I82-L197 HydrophobicContact CG2-CD1 4.07Å
83R89.9Confident94.7Very high130 Ų13055.8 Ų55.849%0.49134%0.344SS..BIsolated β-bridgetrans-59.4129.3179.7-163.9174-170.2179.15.5110.3L79 N80 N85 D110L79-R83 WeakPolarHBondContact O-CB 3.11Å; L79-R83 PolarHBondContact O-N 3.47Å; L79-R83 VanDerWaalsContact O-N 3.12Å; N80-R83 WeakPolarHBondContact O-CB 3.46Å; N80-R83 PolarHBondContact O-N 3.26Å; R83-N85 PolarHBondContact O-N 3.18Å; R83-D110 PolarHBondContact NH2-O 3.32Å
84G89.2Confident94.5Very high77 Ų7750.7 Ų50.779%0.79431%0.314SS*.THydrogen-bonded Turntrans84.3-15.4-178.600000114.9I82I82-G84 PolarHBondContact O-N 3.31Å
85N92.5Very high94.2Very high143 Ų14349.6 Ų49.677%0.76530%0.3SS*.THydrogen-bonded Turntrans-98.3-25.5175.8-65.1-53.8000112.4I82 R83I82-N85 PolarHBondContact O-N 3.02Å; R83-N85 PolarHBondContact O-N 3.18Å
86A94Very high93.9Very high56 Ų5649.7 Ų49.746%0.46330%0.3SS..BIsolated β-bridgetrans-140.6154.7177.300000111.4I82I82-A86 PolarHBondContact O-N 3.5Å
87K95.3Very high93.2Very high152 Ų15249.3 Ų49.366%0.66130%0.304SS*.  trans-75.9142.2161.5-69.3-172.6-178.7-176.20108.9D113 A138K87-D113 WeakPolarHBondContact CA-OD2 3.38Å; K87-A138 PolarHBondContact NZ-O 3.45Å; K87-A138 VanDerWaalsContact NZ-O 3.08Å
88I96.3Very high92.6Very high19 Ų1946.9 Ų46.910%0.09729%0.287CS..  trans-119.2121.1-178.3-41.7-179.6000108.8L79 I82 F112 D113 L114L79-I88 HydrophobicContact CD2-CD1 3.84Å; L79-I88 HydrophobicContact CD2-CG2 4.07Å; I82-I88 HydrophobicContact CD1-CD1 3.7Å; I82-I88 HydrophobicContact CD1-CG1 4.1Å; I82-I88 HydrophobicContact CG1-CD1 3.69Å; I82-I88 HydrophobicContact CG1-CG1 4.38Å; I88-F112 HydrophobicContact CB-CD1 4.17Å; I88-F112 HydrophobicContact CG2-CD1 3.56Å; I88-F112 HydrophobicContact CG2-CE1 3.61Å; I88-F112 CarbonylContact O-C 3.54Å; I88-F112 WeakPolarHBondContact O-CA 3.22Å; I88-D113 PolarHBondContact N-OD2 2.98Å; I88-D113 PolarHBondContact O-N 3.26Å; I88-L114 PolarHBondContact O-N 3.45Å
89G95.7Very high92.1Very high46 Ų4647.1 Ų47.147%0.47429%0.287SS..EExtended strand (participates in β ladder)trans-119.7150.2177.800000112L114G89-L114 CarbonylContact C-O 3.54Å; G89-L114 VanDerWaalsContact CA-O 3.31Å; G89-L114 WeakPolarHBondContact CA-O 3.43Å
90I96.3Very high91.4Very high29 Ų2951.2 Ų51.215%0.14931%0.306CS..EExtended strand (participates in β ladder)trans-106.6131.9168.2-67.6167.5000108.9T92 L103 F112 L114 L115 V116I90-T92 HydrophobicContact CG2-CG2 4.16Å; I90-L103 HydrophobicContact CD1-CD1 4.18Å; I90-L103 HydrophobicContact CD1-CD2 3.9Å; I90-F112 HydrophobicContact CD1-CB 4.45Å; I90-F112 HydrophobicContact CD1-CD1 3.67Å; I90-F112 HydrophobicContact CD1-CD2 3.69Å; I90-F112 HydrophobicContact CD1-CE1 3.7Å; I90-F112 HydrophobicContact CD1-CE2 3.72Å; I90-F112 HydrophobicContact CD1-CG 3.66Å; I90-F112 HydrophobicContact CD1-CZ 3.73Å; I90-F112 HydrophobicContact CG1-CD1 3.49Å; I90-F112 VanDerWaalsContact CG1-CD1 3.49Å; I90-F112 HydrophobicContact CG1-CD2 4.44Å; I90-F112 HydrophobicContact CG1-CE1 3.52Å; I90-F112 HydrophobicContact CG1-CE2 4.47Å; I90-F112 HydrophobicContact CG1-CG 3.97Å; I90-F112 HydrophobicContact CG1-CZ 4.04Å; I90-L114 PolarHBondContact N-O 3.14Å; I90-L115 HydrophobicContact CB-CD1 3.7Å; I90-L115 HydrophobicContact CD1-CD1 4.29Å; I90-L115 HydrophobicContact CG2-CD1 3.56Å; I90-V116 PolarHBondContact O-N 3.16Å
91I97.3Very high90.8Very high30 Ų3049.2 Ų49.215%0.15430%0.297CS..EExtended strand (participates in β ladder)trans-120.2117.2164.9-51.9176.5000107.5V116 K125 I130 F131 A134I91-V116 WeakPolarHBondContact CA-O 3.47Å; I91-V116 HydrophobicContact CG1-CB 4.49Å; I91-K125 HydrophobicContact CB-CD 4.46Å; I91-K125 HydrophobicContact CG2-CD 3.87Å; I91-K125 HydrophobicContact CG2-CG 4.02Å; I91-K125 PolarHBondContact O-NZ 3.09Å; I91-I130 HydrophobicContact CG2-CD1 3.69Å; I91-I130 HydrophobicContact CG2-CG1 4Å; I91-I130 HydrophobicContact CG2-CG2 4.17Å; I91-F131 HydrophobicContact CD1-CD1 3.68Å; I91-F131 HydrophobicContact CD1-CE1 4.04Å; I91-F131 HydrophobicContact CD1-CG 4.37Å; I91-A134 HydrophobicContact CD1-CB 3.56Å; I91-A134 HydrophobicContact CG1-CB 3.87Å
92T95.9Very high90.3Very high21 Ų2151.3 Ų51.313%0.12930%0.298CS..EExtended strand (participates in β ladder)trans-134.4143.4-172.5-1740000112.6I90 G94 Q99 L115 V116 I117 S118I90-T92 HydrophobicContact CG2-CG2 4.16Å; T92-G94 VanDerWaalsContact C-N 3.27Å; T92-G94 PolarHBondContact OG1-N 3.25Å; T92-Q99 HydrophobicContact CG2-CG 3.76Å; T92-L115 HydrophobicContact CG2-CD1 4.43Å; T92-V116 PolarHBondContact N-O 3.31Å; T92-I117 HydrophobicContact CG2-CB 4.32Å; T92-I117 HydrophobicContact CG2-CG1 3.81Å; T92-I117 HydrophobicContact CG2-CG2 4.36Å; T92-S118 PolarHBondContact O-N 3.08Å
93N95.4Very high89.9Confident13 Ų1350.5 Ų50.57%0.0729%0.294CS..SBendtrans-85-3.2168.8-73.61.1000112.6W25 Y28 Q29 S118 K125W25-N93 WeakPolarHBondContact CH2-O 3.4Å; W25-N93 HydrophobicContact CZ3-CB 4.06Å; W25-N93 WeakPolarHBondContact CZ3-O 3.5Å; Y28-N93 HydrophobicContact CE1-CB 4.42Å; Q29-N93 PolarHBondContact NE2-ND2 2.81Å; N93-S118 WeakPolarHBondContact CA-OG 3.44Å; N93-S118 PolarHBondContact O-OG 3.17Å; N93-K125 PolarHBondContact ND2-O 2.96Å; N93-K125 WeakPolarHBondContact OD1-CB 3.36Å; N93-K125 PolarHBondContact OD1-N 2.91Å
94G90.8Very high89.6Confident13 Ų1350.9 Ų50.913%0.13430%0.301CS..SBendtrans-67.4172.3-179.200000113.4T92 I117T92-G94 VanDerWaalsContact C-N 3.27Å; T92-G94 PolarHBondContact OG1-N 3.25Å; G94-I117 WeakPolarHBondContact O-CG2 3.39Å
95F89.5Confident89.3Confident5 Ų553.6 Ų53.62%0.02229%0.287CS..  trans-83.7144.7179.4-51.6-59.7000111.7W25 L38 Q39 I62 A97 L98 Q99W25-F95 HydrophobicContact CH2-CE1 4.24Å; W25-F95 HydrophobicContact CH2-CE2 4.17Å; W25-F95 AromaticContact CH2-CZ 3.8Å; W25-F95 HydrophobicContact CH2-CZ 3.8Å; W25-F95 AromaticContact CZ2-CE2 3.9Å; W25-F95 HydrophobicContact CZ2-CE2 3.9Å; W25-F95 AromaticContact CZ2-CZ 3.74Å; W25-F95 HydrophobicContact CZ2-CZ 3.74Å; L38-F95 HydrophobicContact CD2-CE1 4.1Å; L38-F95 HydrophobicContact CD2-CZ 3.8Å; L38-F95 HydrophobicContact CG-CZ 4.09Å; Q39-F95 HydrophobicContact CG-CD1 3.87Å; Q39-F95 HydrophobicContact CG-CD2 4.35Å; Q39-F95 HydrophobicContact CG-CE1 3.43Å; Q39-F95 VanDerWaalsContact CG-CE1 3.43Å; Q39-F95 HydrophobicContact CG-CE2 3.95Å; Q39-F95 HydrophobicContact CG-CG 4.31Å; Q39-F95 HydrophobicContact CG-CZ 3.47Å; Q39-F95 VanDerWaalsContact CG-CZ 3.47Å; Q39-F95 VanDerWaalsContact NE2-CD1 3.29Å; I62-F95 HydrophobicContact CD1-CB 4.25Å; I62-F95 HydrophobicContact CD1-CD2 3.92Å; I62-F95 HydrophobicContact CD1-CG 4.33Å; I62-F95 HydrophobicContact CG1-CD2 4.39Å; F95-A97 PolarHBondContact O-N 3.29Å; F95-L98 WeakPolarHBondContact O-CB 3.34Å; F95-L98 PolarHBondContact O-N 2.88Å; F95-L98 VanDerWaalsContact O-N 3.09Å; F95-Q99 WeakPolarHBondContact O-CG 3.3Å; F95-Q99 PolarHBondContact O-N 3.31Å; F95-Q99 VanDerWaalsContact O-N 3.08Å
96S87.2Confident89Confident16 Ų1648.5 Ų48.511%0.11226%0.262CS..Hα-helixtrans-60.1-45.6-171.1-45.10000112L98 Q99 Q100 E119 E120S96-L98 VanDerWaalsContact C-N 3.31Å; S96-L98 PolarHBondContact O-N 3.04Å; S96-Q99 PolarHBondContact O-N 3.47Å; S96-Q100 PolarHBondContact O-N 2.9Å; S96-Q100 VanDerWaalsContact O-N 3.1Å; S96-E119 WeakPolarHBondContact CB-OE2 3.48Å; S96-E119 PolarHBondContact N-OE2 3.39Å; S96-E119 PolarHBondContact OG-OE2 3.02Å; S96-E120 WeakPolarHBondContact OG-CG 3.49Å
97A81.1Confident88.7Confident58 Ų5848.3 Ų48.348%0.47927%0.265SS..Hα-helixtrans-57.5-42176.900000112.5F95 V101F95-A97 PolarHBondContact O-N 3.29Å; A97-V101 VanDerWaalsContact O-CG2 3.26Å; A97-V101 WeakPolarHBondContact O-CG2 3.34Å; A97-V101 PolarHBondContact O-N 2.91Å
98L83.7Confident88.4Confident7 Ų741.9 Ų41.94%0.03724%0.237CC..Hα-helixtrans-68.6-41.2179.8-177.760.2000111.6I62 M65 A66 F95 S96 R102I62-L98 HydrophobicContact CG2-CB 3.92Å; I62-L98 HydrophobicContact CG2-CD1 4.11Å; M65-L98 HydrophobicContact CB-CD1 4.12Å; M65-L98 HydrophobicContact CE-CD1 4.34Å; M65-L98 HydrophobicContact CE-CD2 3.57Å; M65-L98 HydrophobicContact SD-CD2 4.49Å; A66-L98 HydrophobicContact CB-CD1 4.01Å; F95-L98 WeakPolarHBondContact O-CB 3.34Å; F95-L98 PolarHBondContact O-N 2.88Å; F95-L98 VanDerWaalsContact O-N 3.09Å; S96-L98 VanDerWaalsContact C-N 3.31Å; S96-L98 PolarHBondContact O-N 3.04Å; L98-R102 HydrophobicContact CD1-CG 4.18Å; L98-R102 HydrophobicContact CG-CG 4.39Å; L98-R102 WeakPolarHBondContact O-CB 3.28Å; L98-R102 WeakPolarHBondContact O-CG 3.37Å; L98-R102 PolarHBondContact O-N 3.42Å
99Q84.8Confident88.1Confident19 Ų1946.2 Ų46.29%0.08925%0.253CS..Hα-helixtrans-71-39.2-174.1-66.1-63.7110.600112.1T92 F95 S96 L103 I117T92-Q99 HydrophobicContact CG2-CG 3.76Å; F95-Q99 WeakPolarHBondContact O-CG 3.3Å; F95-Q99 PolarHBondContact O-N 3.31Å; F95-Q99 VanDerWaalsContact O-N 3.08Å; S96-Q99 PolarHBondContact O-N 3.47Å; Q99-L103 WeakPolarHBondContact O-CG 3.4Å; Q99-L103 PolarHBondContact O-N 3.21Å; Q99-L103 VanDerWaalsContact O-N 3.13Å; Q99-I117 HydrophobicContact CB-CD1 4.37Å
100Q80.6Confident87.8Confident101 Ų10150.1 Ų50.147%0.47226%0.263SS..Hα-helixtrans-61.9-51.9174.4-69.3-1773.300111.1S96 R102 L103 E104S96-Q100 PolarHBondContact O-N 2.9Å; S96-Q100 VanDerWaalsContact O-N 3.1Å; Q100-R102 VanDerWaalsContact C-N 3.31Å; Q100-R102 PolarHBondContact O-N 2.84Å; Q100-L103 PolarHBondContact O-N 3.31Å; Q100-L103 VanDerWaalsContact O-N 3.16Å; Q100-E104 WeakPolarHBondContact O-CG 3.47Å; Q100-E104 PolarHBondContact O-N 2.86Å
101V81.8Confident87.7Confident38 Ų3850.5 Ų50.523%0.2326%0.262CS..Hα-helixtrans-61.9-38.2-179.1179.40000111.7A66 A97 R105A66-V101 HydrophobicContact CB-CB 4.23Å; A66-V101 HydrophobicContact CB-CG1 3.6Å; A97-V101 VanDerWaalsContact O-CG2 3.26Å; A97-V101 WeakPolarHBondContact O-CG2 3.34Å; A97-V101 PolarHBondContact O-N 2.91Å; V101-R105 HydrophobicContact CG1-CG 4.18Å; V101-R105 WeakPolarHBondContact O-CB 3.44Å; V101-R105 VanDerWaalsContact O-CG 3.3Å; V101-R105 WeakPolarHBondContact O-CG 3.16Å; V101-R105 PolarHBondContact O-N 2.97Å
102R85.4Confident87.5Confident75 Ų7550.5 Ų50.528%0.28326%0.261SS..Hα-helixtrans-62-45.7175.7-77.4177.4169.7177.3-6.5112.3C69 L98 Q100 T106C69-R102 HydrophobicContact CB-CG 3.96Å; C69-R102 VanDerWaalsContact SG-CG 3.58Å; L98-R102 HydrophobicContact CD1-CG 4.18Å; L98-R102 HydrophobicContact CG-CG 4.39Å; L98-R102 WeakPolarHBondContact O-CB 3.28Å; L98-R102 WeakPolarHBondContact O-CG 3.37Å; L98-R102 PolarHBondContact O-N 3.42Å; Q100-R102 VanDerWaalsContact C-N 3.31Å; Q100-R102 PolarHBondContact O-N 2.84Å; R102-T106 WeakPolarHBondContact O-CB 3.26Å; R102-T106 VanDerWaalsContact O-CG2 3.24Å; R102-T106 WeakPolarHBondContact O-CG2 3.19Å; R102-T106 PolarHBondContact O-N 2.81Å; R102-T106 PolarHBondContact O-OG1 3.3Å
103L85.5Confident87.4Confident13 Ų1354.7 Ų54.77%0.06828%0.283CS..Hα-helixtrans-67.1-38.5-179-74.1172.9000112.2I90 Q99 Q100 T106 G107 L108 R109 F112 L115I90-L103 HydrophobicContact CD1-CD1 4.18Å; I90-L103 HydrophobicContact CD1-CD2 3.9Å; Q99-L103 WeakPolarHBondContact O-CG 3.4Å; Q99-L103 PolarHBondContact O-N 3.21Å; Q99-L103 VanDerWaalsContact O-N 3.13Å; Q100-L103 PolarHBondContact O-N 3.31Å; Q100-L103 VanDerWaalsContact O-N 3.16Å; L103-T106 PolarHBondContact O-OG1 3.27Å; L103-G107 PolarHBondContact O-N 3.23Å; L103-L108 HydrophobicContact CD2-CB 4.35Å; L103-L108 PolarHBondContact O-N 2.95Å; L103-R109 HydrophobicContact CB-CB 4.17Å; L103-R109 PolarHBondContact O-N 2.94Å; L103-F112 HydrophobicContact CD2-CD2 3.71Å; L103-F112 HydrophobicContact CD2-CE2 3.68Å; L103-L115 HydrophobicContact CD1-CD2 3.86Å
104E83.2Confident87.4Confident137 Ų13755.5 Ų55.564%0.6429%0.287SS*.Hα-helixtrans-65-50175.5-71.4174.2-179.300111.3Q100 T106 G107Q100-E104 WeakPolarHBondContact O-CG 3.47Å; Q100-E104 PolarHBondContact O-N 2.86Å; E104-T106 PolarHBondContact O-N 3.42Å; E104-G107 PolarHBondContact O-N 3.06Å
105R83.6Confident87.5Confident135 Ų13556.6 Ų56.651%0.50929%0.29SS..Hα-helixtrans-68.6-32.2-176.7-72.8-176.3175.1-174.4-4.2113.9A66 V101 G107A66-R105 WeakPolarHBondContact O-CD 3.49Å; A66-R105 PolarHBondContact O-NH1 2.63Å; V101-R105 HydrophobicContact CG1-CG 4.18Å; V101-R105 WeakPolarHBondContact O-CB 3.44Å; V101-R105 VanDerWaalsContact O-CG 3.3Å; V101-R105 WeakPolarHBondContact O-CG 3.16Å; V101-R105 PolarHBondContact O-N 2.97Å; R105-G107 VanDerWaalsContact C-N 3.3Å
106T85.1Confident87.9Confident36 Ų3656.5 Ų56.522%0.22129%0.289CS..Hα-helixtrans-81.6-10.6176.8570000113P71 R102 L103 E104 L108P71-T106 HydrophobicContact CG-CG2 3.9Å; R102-T106 WeakPolarHBondContact O-CB 3.26Å; R102-T106 VanDerWaalsContact O-CG2 3.24Å; R102-T106 WeakPolarHBondContact O-CG2 3.19Å; R102-T106 PolarHBondContact O-N 2.81Å; R102-T106 PolarHBondContact O-OG1 3.3Å; L103-T106 PolarHBondContact O-OG1 3.27Å; E104-T106 PolarHBondContact O-N 3.42Å; T106-L108 PolarHBondContact O-N 3.2Å
107G87.3Confident88.3Confident51 Ų5155.8 Ų55.853%0.52628%0.284SS..THydrogen-bonded Turntrans66.816.3-174.200000113.5L103 E104 R105L103-G107 PolarHBondContact O-N 3.23Å; E104-G107 PolarHBondContact O-N 3.06Å; R105-G107 VanDerWaalsContact C-N 3.3Å
108L89.8Confident89Confident17 Ų1753 Ų539%0.08926%0.261CS..  trans-93.3-4.1-175-64-179.2000113.5P71 V76 L79 L103 T106 D110 Y111 F112P71-L108 HydrophobicContact CB-CD1 4.15Å; P71-L108 HydrophobicContact CG-CD1 3.92Å; V76-L108 HydrophobicContact CG2-CD2 4.21Å; L79-L108 HydrophobicContact CD1-CD1 4.23Å; L79-L108 HydrophobicContact CD1-CD2 4.02Å; L103-L108 HydrophobicContact CD2-CB 4.35Å; L103-L108 PolarHBondContact O-N 2.95Å; T106-L108 PolarHBondContact O-N 3.2Å; L108-D110 PolarHBondContact O-N 3.45Å; L108-D110 VanDerWaalsContact O-N 3.12Å; L108-Y111 HydrophobicContact CB-CD2 4.45Å; L108-Y111 HydrophobicContact CD2-CD2 3.94Å; L108-Y111 HydrophobicContact CD2-CE2 3.94Å; L108-Y111 WeakPolarHBondContact O-CB 3.48Å; L108-Y111 PolarHBondContact O-N 2.89Å; L108-F112 HydrophobicContact CB-CE2 4.08Å; L108-F112 VanDerWaalsContact O-CD2 3.25Å; L108-F112 WeakPolarHBondContact O-CD2 3.48Å
109R89.9Confident89.5Confident111 Ų11155.3 Ų55.342%0.41927%0.272SS..G310 helixtrans-51.4-40.8-175.8179.459.5-171.191.2-4.9113.3L103 Y111 F112L103-R109 HydrophobicContact CB-CB 4.17Å; L103-R109 PolarHBondContact O-N 2.94Å; R109-Y111 PolarHBondContact O-N 3Å; R109-F112 PolarHBondContact NH1-O 3.42Å; R109-F112 PolarHBondContact O-N 3.38Å
110D90.4Very high90Very high128 Ų12860.1 Ų60.168%0.68430%0.295SS*.G310 helixtrans-78.4-1.7-174.1-63.4-18.3000114.2R83 L108R83-D110 PolarHBondContact NH2-O 3.32Å; L108-D110 PolarHBondContact O-N 3.45Å; L108-D110 VanDerWaalsContact O-N 3.12Å
111Y92.7Very high90.6Very high37 Ų3757.2 Ų57.215%0.14528%0.283CS..G310 helixtrans-85.9-21.6172.2-72.6-93.3000112.5L79 N80 L108 R109L79-Y111 HydrophobicContact CB-CD1 3.58Å; L79-Y111 HydrophobicContact CB-CE1 3.89Å; L79-Y111 HydrophobicContact CB-CG 4.21Å; L79-Y111 HydrophobicContact CD1-CD1 4.44Å; L79-Y111 HydrophobicContact CD1-CG 4.25Å; L79-Y111 HydrophobicContact CG-CD1 4.47Å; N80-Y111 WeakPolarHBondContact OD1-CE1 3.37Å; N80-Y111 PolarHBondContact OD1-OH 2.78Å; L108-Y111 HydrophobicContact CB-CD2 4.45Å; L108-Y111 HydrophobicContact CD2-CD2 3.94Å; L108-Y111 HydrophobicContact CD2-CE2 3.94Å; L108-Y111 WeakPolarHBondContact O-CB 3.48Å; L108-Y111 PolarHBondContact O-N 2.89Å; R109-Y111 PolarHBondContact O-N 3Å
112F93.8Very high91.2Very high30 Ų3058.3 Ų58.313%0.13230%0.302CS..  trans-105.6119-172.2-59.8-77.7000111.4L79 I88 I90 L103 L108 R109 L114L79-F112 HydrophobicContact CD1-CE2 4.43Å; L79-F112 HydrophobicContact CD1-CZ 4.1Å; L79-F112 HydrophobicContact CD2-CE1 4.11Å; L79-F112 HydrophobicContact CD2-CZ 4.04Å; I88-F112 HydrophobicContact CB-CD1 4.17Å; I88-F112 HydrophobicContact CG2-CD1 3.56Å; I88-F112 HydrophobicContact CG2-CE1 3.61Å; I88-F112 CarbonylContact O-C 3.54Å; I88-F112 WeakPolarHBondContact O-CA 3.22Å; I90-F112 HydrophobicContact CD1-CB 4.45Å; I90-F112 HydrophobicContact CD1-CD1 3.67Å; I90-F112 HydrophobicContact CD1-CD2 3.69Å; I90-F112 HydrophobicContact CD1-CE1 3.7Å; I90-F112 HydrophobicContact CD1-CE2 3.72Å; I90-F112 HydrophobicContact CD1-CG 3.66Å; I90-F112 HydrophobicContact CD1-CZ 3.73Å; I90-F112 HydrophobicContact CG1-CD1 3.49Å; I90-F112 VanDerWaalsContact CG1-CD1 3.49Å; I90-F112 HydrophobicContact CG1-CD2 4.44Å; I90-F112 HydrophobicContact CG1-CE1 3.52Å; I90-F112 HydrophobicContact CG1-CE2 4.47Å; I90-F112 HydrophobicContact CG1-CG 3.97Å; I90-F112 HydrophobicContact CG1-CZ 4.04Å; L103-F112 HydrophobicContact CD2-CD2 3.71Å; L103-F112 HydrophobicContact CD2-CE2 3.68Å; L108-F112 HydrophobicContact CB-CE2 4.08Å; L108-F112 VanDerWaalsContact O-CD2 3.25Å; L108-F112 WeakPolarHBondContact O-CD2 3.48Å; R109-F112 PolarHBondContact NH1-O 3.42Å; R109-F112 PolarHBondContact O-N 3.38Å; F112-L114 VanDerWaalsContact C-N 3.28Å
113D94Very high91.6Very high108 Ų10856.4 Ų56.458%0.57830%0.299SS*.SBendtrans-71-27.6173.9-57.5-79.7000111.9K87 I88K87-D113 WeakPolarHBondContact CA-OD2 3.38Å; I88-D113 PolarHBondContact N-OD2 2.98Å; I88-D113 PolarHBondContact O-N 3.26Å
114L94.3Very high92.2Very high31 Ų3156 Ų5616%0.16230%0.298CS..EExtended strand (participates in β ladder)trans-142.4137.7-173.6179.764.8000111.2I88 G89 I90 F112 V116 A134 Q137 A138I88-L114 PolarHBondContact O-N 3.45Å; G89-L114 CarbonylContact C-O 3.54Å; G89-L114 VanDerWaalsContact CA-O 3.31Å; G89-L114 WeakPolarHBondContact CA-O 3.43Å; I90-L114 PolarHBondContact N-O 3.14Å; F112-L114 VanDerWaalsContact C-N 3.28Å; L114-V116 HydrophobicContact CD1-CG2 3.92Å; L114-V116 HydrophobicContact CD2-CG2 3.9Å; L114-V116 HydrophobicContact CG-CG2 3.83Å; L114-A134 HydrophobicContact CD2-CB 4.26Å; L114-A134 WeakPolarHBondContact CD2-O 3.36Å; L114-Q137 HydrophobicContact CD1-CB 3.66Å; L114-Q137 HydrophobicContact CD1-CG 4.48Å; L114-Q137 HydrophobicContact CD2-CB 4.05Å; L114-A138 HydrophobicContact CD2-CB 4.25Å
115L94.7Very high92.9Very high36 Ų3650.2 Ų50.219%0.18827%0.271CS..EExtended strand (participates in β ladder)trans-127119.4168.5173.861.3000108.1I90 T92 L103 I117I90-L115 HydrophobicContact CB-CD1 3.7Å; I90-L115 HydrophobicContact CD1-CD1 4.29Å; I90-L115 HydrophobicContact CG2-CD1 3.56Å; T92-L115 HydrophobicContact CG2-CD1 4.43Å; L103-L115 HydrophobicContact CD1-CD2 3.86Å; L115-I117 HydrophobicContact CD1-CD1 4.35Å; L115-I117 HydrophobicContact CD1-CG1 3.98Å; L115-I117 HydrophobicContact CD2-CD1 3.88Å; L115-I117 HydrophobicContact CD2-CG1 4.42Å; L115-I117 HydrophobicContact CG-CD1 3.93Å; L115-I117 HydrophobicContact CG-CG1 3.97Å
116V96.4Very high93.6Very high2 Ų245.1 Ų45.11%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-118.5122.3175.5178.20000108.9I90 I91 T92 L114 V121 I130 Y133 A134I90-V116 PolarHBondContact O-N 3.16Å; I91-V116 WeakPolarHBondContact CA-O 3.47Å; I91-V116 HydrophobicContact CG1-CB 4.49Å; T92-V116 PolarHBondContact N-O 3.31Å; L114-V116 HydrophobicContact CD1-CG2 3.92Å; L114-V116 HydrophobicContact CD2-CG2 3.9Å; L114-V116 HydrophobicContact CG-CG2 3.83Å; V116-V121 HydrophobicContact CG1-CG2 3.7Å; V116-I130 HydrophobicContact CG1-CD1 4.14Å; V116-I130 HydrophobicContact CG1-CG1 3.74Å; V116-Y133 HydrophobicContact CG1-CD1 3.73Å; V116-Y133 HydrophobicContact CG1-CE1 4.07Å; V116-Y133 HydrophobicContact CG2-CD1 4.16Å; V116-Y133 HydrophobicContact CG2-CE1 4.19Å; V116-A134 HydrophobicContact CB-CB 4.31Å; V116-A134 HydrophobicContact CG1-CB 4.47Å; V116-A134 HydrophobicContact CG2-CB 3.75Å
117I96.2Very high94.2Very high1 Ų146.8 Ų46.81%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-116.6126.9-176.5-60.6156.3000108.3T92 G94 Q99 L115 E119 E120 V121T92-I117 HydrophobicContact CG2-CB 4.32Å; T92-I117 HydrophobicContact CG2-CG1 3.81Å; T92-I117 HydrophobicContact CG2-CG2 4.36Å; G94-I117 WeakPolarHBondContact O-CG2 3.39Å; Q99-I117 HydrophobicContact CB-CD1 4.37Å; L115-I117 HydrophobicContact CD1-CD1 4.35Å; L115-I117 HydrophobicContact CD1-CG1 3.98Å; L115-I117 HydrophobicContact CD2-CD1 3.88Å; L115-I117 HydrophobicContact CD2-CG1 4.42Å; L115-I117 HydrophobicContact CG-CD1 3.93Å; L115-I117 HydrophobicContact CG-CG1 3.97Å; I117-E119 HydrophobicContact CG2-CB 3.99Å; I117-E119 PolarHBondContact O-N 3.4Å; I117-E120 HydrophobicContact CB-CG 4.13Å; I117-E120 PolarHBondContact O-N 3.37Å; I117-V121 WeakPolarHBondContact O-CG2 3.36Å; I117-V121 PolarHBondContact O-N 3.2Å; I117-V121 VanDerWaalsContact O-N 3.11Å
118S96.5Very high94.7Very high0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-60-30.4-177.1640000113.5Y28 T92 N93 E120 V121 G122 V123Y28-S118 VanDerWaalsContact OH-C 3.29Å; Y28-S118 VanDerWaalsContact OH-CB 3.31Å; Y28-S118 WeakPolarHBondContact OH-CB 3.38Å; Y28-S118 PolarHBondContact OH-O 3.42Å; Y28-S118 PolarHBondContact OH-OG 3.34Å; T92-S118 PolarHBondContact O-N 3.08Å; N93-S118 WeakPolarHBondContact CA-OG 3.44Å; N93-S118 PolarHBondContact O-OG 3.17Å; S118-E120 VanDerWaalsContact C-N 3.34Å; S118-V121 PolarHBondContact O-N 3.5Å; S118-G122 WeakPolarHBondContact O-CA 3.4Å; S118-G122 PolarHBondContact O-N 2.95Å; S118-V123 WeakPolarHBondContact CA-O 3.29Å; S118-V123 VanDerWaalsContact CB-O 3.28Å; S118-V123 WeakPolarHBondContact CB-O 3.47Å; S118-V123 PolarHBondContact O-N 3Å
119E94.6Very high95.1Very high56 Ų5653.9 Ų53.926%0.26228%0.278SS..Hα-helixtrans-60.3-42.9174.2173.9170.1-105.100111.7Y28 S35 Q39 S96 I117Y28-E119 PolarHBondContact OH-N 3.25Å; S35-E119 WeakPolarHBondContact CB-OE1 3.25Å; S35-E119 WeakPolarHBondContact OG-CG 3.45Å; S35-E119 PolarHBondContact OG-OE1 2.96Å; Q39-E119 PolarHBondContact NE2-OE1 3.5Å; S96-E119 WeakPolarHBondContact CB-OE2 3.48Å; S96-E119 PolarHBondContact N-OE2 3.39Å; S96-E119 PolarHBondContact OG-OE2 3.02Å; I117-E119 HydrophobicContact CG2-CB 3.99Å; I117-E119 PolarHBondContact O-N 3.4Å
120E93.9Very high95.5Very high120 Ų12048.6 Ų48.656%0.56126%0.258SS*.Hα-helixtrans-74.8-34.3179.7-59.8177.8170.400111.6S96 I117 S118S96-E120 WeakPolarHBondContact OG-CG 3.49Å; I117-E120 HydrophobicContact CB-CG 4.13Å; I117-E120 PolarHBondContact O-N 3.37Å; S118-E120 VanDerWaalsContact C-N 3.34Å
121V94.4Very high95.9Very high39 Ų3942.6 Ų42.624%0.23623%0.226CC..Hα-helixtrans-80.7-23.7179.7-178.50000112.3V116 I117 S118 V123 I130 Y133V116-V121 HydrophobicContact CG1-CG2 3.7Å; I117-V121 WeakPolarHBondContact O-CG2 3.36Å; I117-V121 PolarHBondContact O-N 3.2Å; I117-V121 VanDerWaalsContact O-N 3.11Å; S118-V121 PolarHBondContact O-N 3.5Å; V121-V123 VanDerWaalsContact C-N 3.26Å; V121-V123 PolarHBondContact O-N 3.49Å; V121-I130 HydrophobicContact CB-CG1 4.43Å; V121-I130 HydrophobicContact CG1-CG1 4.35Å; V121-I130 HydrophobicContact CG2-CG1 4.35Å; V121-Y133 HydrophobicContact CG1-CD1 4.42Å; V121-Y133 HydrophobicContact CG1-CG 4.26Å; V121-Y133 HydrophobicContact CG2-CD1 3.56Å; V121-Y133 HydrophobicContact CG2-CE1 3.63Å; V121-Y133 HydrophobicContact CG2-CG 4.19Å
122G93.2Very high96.1Very high61 Ų6143 Ų4363%0.62923%0.23SC*.THydrogen-bonded Turntrans76.48.1-174.900000114.6S118S118-G122 WeakPolarHBondContact O-CA 3.4Å; S118-G122 PolarHBondContact O-N 2.95Å
123V94.9Very high96.3Very high36 Ų3645.8 Ų45.822%0.21824%0.241CC..  trans-138.9130.8179.2-178.40000109.5S118 V121 N127 K129 I130S118-V123 WeakPolarHBondContact CA-O 3.29Å; S118-V123 VanDerWaalsContact CB-O 3.28Å; S118-V123 WeakPolarHBondContact CB-O 3.47Å; S118-V123 PolarHBondContact O-N 3Å; V121-V123 VanDerWaalsContact C-N 3.26Å; V121-V123 PolarHBondContact O-N 3.49Å; V123-N127 HydrophobicContact CG1-CB 3.47Å; V123-N127 VanDerWaalsContact CG1-CB 3.47Å; V123-N127 VanDerWaalsContact CG1-CG 3.4Å; V123-K129 HydrophobicContact CG1-CB 4.19Å; V123-K129 HydrophobicContact CG2-CD 4.49Å; V123-I130 WeakPolarHBondContact O-CD1 3.49Å
124A97.1Very high96.5Very high5 Ų541 Ų414%0.04122%0.216CC..  trans-98.2154.8-177.900000113.2Y28 N127Y28-A124 HydrophobicContact CD1-CB 4.21Å; Y28-A124 HydrophobicContact CE1-CB 3.81Å; A124-N127 WeakPolarHBondContact O-CB 3.47Å; A124-N127 PolarHBondContact O-N 3.35Å
125K98.3Very high96.7Very high15 Ų1540.1 Ų40.17%0.06521%0.211CC..THydrogen-bonded Turntrans-58.6141.3164.8-61.5-178.7-67.5-173.10109.4Q29 I91 N93 I130 F131 M148 S155 D156Q29-K125 WeakPolarHBondContact CG-O 3.43Å; I91-K125 HydrophobicContact CB-CD 4.46Å; I91-K125 HydrophobicContact CG2-CD 3.87Å; I91-K125 HydrophobicContact CG2-CG 4.02Å; I91-K125 PolarHBondContact O-NZ 3.09Å; N93-K125 PolarHBondContact ND2-O 2.96Å; N93-K125 WeakPolarHBondContact OD1-CB 3.36Å; N93-K125 PolarHBondContact OD1-N 2.91Å; K125-I130 HydrophobicContact CG-CG2 3.84Å; K125-F131 HydrophobicContact CB-CE2 4.24Å; K125-F131 HydrophobicContact CB-CZ 4.39Å; K125-F131 HydrophobicContact CD-CE2 4.39Å; K125-F131 HydrophobicContact CD-CZ 3.86Å; K125-F131 HydrophobicContact CG-CE2 3.77Å; K125-F131 HydrophobicContact CG-CZ 3.75Å; K125-M148 HydrophobicContact CD-CE 4.44Å; K125-S155 WeakPolarHBondContact CB-O 3.48Å; K125-D156 WeakPolarHBondContact CE-OD1 3.25Å; K125-D156 IonicContact NZ-OD1 2.63Å; K125-D156 PolarHBondContact NZ-OD1 2.96Å
126P97.9Very high96.9Very high27 Ų2744 Ų4418%0.17523%0.228CC..THydrogen-bonded Turncis-9116.412.535.4-37.1000115.3K128 E154 S155 L158 G159 N162P126-K128 PolarHBondContact O-N 3.33Å; P126-E154 WeakPolarHBondContact CB-O 3.46Å; P126-E154 WeakPolarHBondContact CG-O 3.39Å; P126-S155 WeakPolarHBondContact CA-O 3.37Å; P126-L158 HydrophobicContact CB-CB 4.13Å; P126-L158 HydrophobicContact CB-CD2 4.19Å; P126-L158 HydrophobicContact CB-CG 4.01Å; P126-L158 HydrophobicContact CG-CD2 4.1Å; P126-L158 HydrophobicContact CG-CG 4.45Å; P126-G159 WeakPolarHBondContact O-CA 3.3Å; P126-N162 PolarHBondContact O-ND2 2.92Å; P126-N162 VanDerWaalsContact O-ND2 3.13Å
127N97.8Very high96.9Very high71 Ų7149 Ų4938%0.3825%0.252SS..SBendtrans-65.8125.7-177.1-170.7-49000111.1V123 A124 K129 I130V123-N127 HydrophobicContact CG1-CB 3.47Å; V123-N127 VanDerWaalsContact CG1-CB 3.47Å; V123-N127 VanDerWaalsContact CG1-CG 3.4Å; A124-N127 WeakPolarHBondContact O-CB 3.47Å; A124-N127 PolarHBondContact O-N 3.35Å; N127-K129 PolarHBondContact O-N 2.96Å; N127-K129 WeakPolarHBondContact OD1-CB 3.47Å; N127-K129 WeakPolarHBondContact OD1-CG 3.39Å; N127-K129 PolarHBondContact OD1-N 3.28Å; N127-I130 WeakPolarHBondContact O-CG2 3.49Å; N127-I130 PolarHBondContact O-N 3.45Å
128K98Very high96.9Very high79 Ų7950.1 Ų50.134%0.34326%0.262SS..Hα-helixtrans-50.5-31.9-178.8-173.6-178-174.7-70.50114P126 I130 F131 D132 N162 A163P126-K128 PolarHBondContact O-N 3.33Å; K128-I130 VanDerWaalsContact C-N 3.31Å; K128-I130 PolarHBondContact O-N 3.39Å; K128-F131 WeakPolarHBondContact O-CB 3.31Å; K128-F131 PolarHBondContact O-N 2.9Å; K128-D132 IonicContact NZ-OD1 2.76Å; K128-D132 PolarHBondContact NZ-OD1 3.34Å; K128-D132 IonicContact NZ-OD2 2.65Å; K128-D132 PolarHBondContact NZ-OD2 2.67Å; K128-D132 PolarHBondContact O-N 3.28Å; K128-N162 HydrophobicContact CB-CB 4.38Å; K128-N162 WeakPolarHBondContact CD-O 3.44Å; K128-N162 WeakPolarHBondContact CE-O 3.49Å; K128-A163 HydrophobicContact CG-CB 4.28Å
129K98Very high96.9Very high139 Ų13953 Ų5360%0.60429%0.291SS*.Hα-helixtrans-58.7-36.9-176.1-68.7-179.7179.2-178.90113.6V123 N127 F131 D132 Y133V123-K129 HydrophobicContact CG1-CB 4.19Å; V123-K129 HydrophobicContact CG2-CD 4.49Å; N127-K129 PolarHBondContact O-N 2.96Å; N127-K129 WeakPolarHBondContact OD1-CB 3.47Å; N127-K129 WeakPolarHBondContact OD1-CG 3.39Å; N127-K129 PolarHBondContact OD1-N 3.28Å; K129-F131 VanDerWaalsContact C-N 3.32Å; K129-D132 PolarHBondContact O-N 2.9Å; K129-Y133 WeakPolarHBondContact O-CB 3.47Å; K129-Y133 PolarHBondContact O-N 3.17Å
130I98.2Very high97Very high0 Ų055.6 Ų55.60%031%0.306CS..Hα-helixtrans-69.2-34.2178-163.4-177.7000111.5I91 V116 V121 V123 K125 N127 K128 A134I91-I130 HydrophobicContact CG2-CD1 3.69Å; I91-I130 HydrophobicContact CG2-CG1 4Å; I91-I130 HydrophobicContact CG2-CG2 4.17Å; V116-I130 HydrophobicContact CG1-CD1 4.14Å; V116-I130 HydrophobicContact CG1-CG1 3.74Å; V121-I130 HydrophobicContact CB-CG1 4.43Å; V121-I130 HydrophobicContact CG1-CG1 4.35Å; V121-I130 HydrophobicContact CG2-CG1 4.35Å; V123-I130 WeakPolarHBondContact O-CD1 3.49Å; K125-I130 HydrophobicContact CG-CG2 3.84Å; N127-I130 WeakPolarHBondContact O-CG2 3.49Å; N127-I130 PolarHBondContact O-N 3.45Å; K128-I130 VanDerWaalsContact C-N 3.31Å; K128-I130 PolarHBondContact O-N 3.39Å; I130-A134 WeakPolarHBondContact O-CB 3.27Å; I130-A134 PolarHBondContact O-N 2.67Å
131F98.6Very high97.2Very high1 Ų152.4 Ų52.40%0.00430%0.296CS..Hα-helixtrans-71.7-41.5175.7-65.1-94.2000111.3I91 K125 K128 K129 Y133 A134 L135 M148 G159 A163 L165I91-F131 HydrophobicContact CD1-CD1 3.68Å; I91-F131 HydrophobicContact CD1-CE1 4.04Å; I91-F131 HydrophobicContact CD1-CG 4.37Å; K125-F131 HydrophobicContact CB-CE2 4.24Å; K125-F131 HydrophobicContact CB-CZ 4.39Å; K125-F131 HydrophobicContact CD-CE2 4.39Å; K125-F131 HydrophobicContact CD-CZ 3.86Å; K125-F131 HydrophobicContact CG-CE2 3.77Å; K125-F131 HydrophobicContact CG-CZ 3.75Å; K128-F131 WeakPolarHBondContact O-CB 3.31Å; K128-F131 PolarHBondContact O-N 2.9Å; K129-F131 VanDerWaalsContact C-N 3.32Å; F131-Y133 VanDerWaalsContact C-N 3.34Å; F131-A134 PolarHBondContact O-N 3.16Å; F131-L135 VanDerWaalsContact O-CG 3.27Å; F131-L135 WeakPolarHBondContact O-CG 3.43Å; F131-L135 PolarHBondContact O-N 3.36Å; F131-M148 HydrophobicContact CE1-CE 4.3Å; F131-M148 HydrophobicContact CE1-CG 4Å; F131-M148 HydrophobicContact CE1-SD 3.82Å; F131-G159 VanDerWaalsContact CE2-C 3.46Å; F131-G159 VanDerWaalsContact CZ-CA 3.44Å; F131-A163 HydrophobicContact CB-CB 3.48Å; F131-A163 VanDerWaalsContact CB-CB 3.48Å; F131-A163 HydrophobicContact CD1-CB 4.28Å; F131-A163 HydrophobicContact CD2-CB 4.45Å; F131-A163 HydrophobicContact CG-CB 3.84Å; F131-L165 HydrophobicContact CD1-CD1 4.18Å
132D98.2Very high97.3Very high45 Ų4555.3 Ų55.324%0.24131%0.311CS..Hα-helixtrans-61.3-44.6174.7-70.7-20.9000111.3K128 K129 A134 L135 E136 R143K128-D132 IonicContact NZ-OD1 2.76Å; K128-D132 PolarHBondContact NZ-OD1 3.34Å; K128-D132 IonicContact NZ-OD2 2.65Å; K128-D132 PolarHBondContact NZ-OD2 2.67Å; K128-D132 PolarHBondContact O-N 3.28Å; K129-D132 PolarHBondContact O-N 2.9Å; D132-A134 VanDerWaalsContact C-N 3.34Å; D132-A134 PolarHBondContact O-N 3.39Å; D132-L135 PolarHBondContact O-N 2.88Å; D132-E136 WeakPolarHBondContact O-CB 3.39Å; D132-E136 PolarHBondContact O-N 2.79Å; D132-R143 IonicContact OD1-CZ 3.37Å; D132-R143 IonicContact OD1-NH1 3.04Å; D132-R143 PolarHBondContact OD1-NH1 2.78Å; D132-R143 IonicContact OD1-NH2 2.71Å; D132-R143 PolarHBondContact OD1-NH2 3.3Å
133Y98.3Very high97.6Very high90 Ų9056.5 Ų56.535%0.35330%0.296SS..Hα-helixtrans-58.1-45.7173177.9-94000111.4V116 V121 K129 F131 L135 E136 Q137V116-Y133 HydrophobicContact CG1-CD1 3.73Å; V116-Y133 HydrophobicContact CG1-CE1 4.07Å; V116-Y133 HydrophobicContact CG2-CD1 4.16Å; V116-Y133 HydrophobicContact CG2-CE1 4.19Å; V121-Y133 HydrophobicContact CG1-CD1 4.42Å; V121-Y133 HydrophobicContact CG1-CG 4.26Å; V121-Y133 HydrophobicContact CG2-CD1 3.56Å; V121-Y133 HydrophobicContact CG2-CE1 3.63Å; V121-Y133 HydrophobicContact CG2-CG 4.19Å; K129-Y133 WeakPolarHBondContact O-CB 3.47Å; K129-Y133 PolarHBondContact O-N 3.17Å; F131-Y133 VanDerWaalsContact C-N 3.34Å; Y133-L135 PolarHBondContact O-N 3.5Å; Y133-E136 PolarHBondContact O-N 3.47Å; Y133-Q137 HydrophobicContact CD1-CG 4.21Å; Y133-Q137 HydrophobicContact CE1-CG 3.8Å; Y133-Q137 HydrophobicContact CE2-CG 4.29Å; Y133-Q137 VanDerWaalsContact O-CG 3.28Å; Y133-Q137 WeakPolarHBondContact O-CG 3.47Å; Y133-Q137 PolarHBondContact O-N 3.17Å
134A98Very high97.7Very high7 Ų759.3 Ų59.36%0.05832%0.318CS..Hα-helixtrans-62.8-40.9177.600000113I91 L114 V116 I130 F131 D132 Q137 A138I91-A134 HydrophobicContact CD1-CB 3.56Å; I91-A134 HydrophobicContact CG1-CB 3.87Å; L114-A134 HydrophobicContact CD2-CB 4.26Å; L114-A134 WeakPolarHBondContact CD2-O 3.36Å; V116-A134 HydrophobicContact CB-CB 4.31Å; V116-A134 HydrophobicContact CG1-CB 4.47Å; V116-A134 HydrophobicContact CG2-CB 3.75Å; I130-A134 WeakPolarHBondContact O-CB 3.27Å; I130-A134 PolarHBondContact O-N 2.67Å; F131-A134 PolarHBondContact O-N 3.16Å; D132-A134 VanDerWaalsContact C-N 3.34Å; D132-A134 PolarHBondContact O-N 3.39Å; A134-Q137 PolarHBondContact O-N 3.08Å; A134-A138 WeakPolarHBondContact O-CB 3.47Å; A134-A138 PolarHBondContact O-N 3.43Å
135L98.1Very high97.7Very high12 Ų1269.2 Ų69.26%0.06335%0.354CS..Hα-helixtrans-64.7-40.9176.3-69.5168.2000111.4F131 D132 Y133 A138 G139 N140 P141 R143 V146 L165F131-L135 VanDerWaalsContact O-CG 3.27Å; F131-L135 WeakPolarHBondContact O-CG 3.43Å; F131-L135 PolarHBondContact O-N 3.36Å; D132-L135 PolarHBondContact O-N 2.88Å; Y133-L135 PolarHBondContact O-N 3.5Å; L135-A138 PolarHBondContact O-N 2.8Å; L135-G139 PolarHBondContact O-N 3.24Å; L135-N140 WeakPolarHBondContact O-CA 3.2Å; L135-N140 PolarHBondContact O-N 3.25Å; L135-P141 HydrophobicContact CD2-CG 4.07Å; L135-R143 HydrophobicContact CD1-CG 4.27Å; L135-V146 HydrophobicContact CD2-CB 4.36Å; L135-V146 HydrophobicContact CD2-CG1 4.11Å; L135-V146 HydrophobicContact CD2-CG2 3.83Å; L135-L165 HydrophobicContact CD1-CD2 4.21Å; L135-L165 HydrophobicContact CD2-CD2 4.47Å
136E97.8Very high97.6Very high117 Ų11770.1 Ų70.155%0.54736%0.361SS..Hα-helixtrans-58.9-50.6175.4-175.5177-171.300110.9D132 Y133 A138 G139 N140D132-E136 WeakPolarHBondContact O-CB 3.39Å; D132-E136 PolarHBondContact O-N 2.79Å; Y133-E136 PolarHBondContact O-N 3.47Å; E136-A138 PolarHBondContact O-N 3.23Å; E136-G139 PolarHBondContact O-N 3.26Å; E136-N140 WeakPolarHBondContact CA-OD1 3.46Å
137Q97.1Very high97.7Very high107 Ų10771.2 Ų71.250%0.537%0.365SS..Hα-helixtrans-62.8-27.9177.3-63.2-64.99000112.8L114 Y133 A134 G139L114-Q137 HydrophobicContact CD1-CB 3.66Å; L114-Q137 HydrophobicContact CD1-CG 4.48Å; L114-Q137 HydrophobicContact CD2-CB 4.05Å; Y133-Q137 HydrophobicContact CD1-CG 4.21Å; Y133-Q137 HydrophobicContact CE1-CG 3.8Å; Y133-Q137 HydrophobicContact CE2-CG 4.29Å; Y133-Q137 VanDerWaalsContact O-CG 3.28Å; Y133-Q137 WeakPolarHBondContact O-CG 3.47Å; Y133-Q137 PolarHBondContact O-N 3.17Å; A134-Q137 PolarHBondContact O-N 3.08Å; Q137-G139 PolarHBondContact O-N 2.95Å
138A96.1Very high97.7Very high26 Ų2668.7 Ų68.722%0.21535%0.351CS..THydrogen-bonded Turntrans-78.5-4.9175.400000114.1K87 L114 A134 L135 E136K87-A138 PolarHBondContact NZ-O 3.45Å; K87-A138 VanDerWaalsContact NZ-O 3.08Å; L114-A138 HydrophobicContact CD2-CB 4.25Å; A134-A138 WeakPolarHBondContact O-CB 3.47Å; A134-A138 PolarHBondContact O-N 3.43Å; L135-A138 PolarHBondContact O-N 2.8Å; E136-A138 PolarHBondContact O-N 3.23Å
139G96.9Very high97.7Very high59 Ų5967.5 Ų67.561%0.60835%0.35SS*.THydrogen-bonded Turntrans92.825.9-17800000114.2L135 E136 Q137L135-G139 PolarHBondContact O-N 3.24Å; E136-G139 PolarHBondContact O-N 3.26Å; Q137-G139 PolarHBondContact O-N 2.95Å
140N97.2Very high97.7Very high111 Ų11161.3 Ų61.359%0.59433%0.326SS*.  trans50.557.9179.6-71-56000114L135 E136L135-N140 WeakPolarHBondContact O-CA 3.2Å; L135-N140 PolarHBondContact O-N 3.25Å; E136-N140 WeakPolarHBondContact CA-OD1 3.46Å
141P97.1Very high97.7Very high53 Ų5365.1 Ų65.134%0.34435%0.346SS..  trans-61.2156172.330.3-36.1000110.9L135 R143 V146L135-P141 HydrophobicContact CD2-CG 4.07Å; P141-R143 PolarHBondContact O-N 3.02Å; P141-V146 HydrophobicContact CB-CG2 4.09Å; P141-V146 HydrophobicContact CG-CG2 3.6Å
142D97.6Very high97.6Very high101 Ų10167.1 Ų67.154%0.5436%0.359SS..  trans-55.9127.8168.7-170.3-43.3000109.6S144 R145D142-S144 PolarHBondContact O-N 3.21Å; D142-S144 VanDerWaalsContact OD1-CB 3.32Å; D142-S144 WeakPolarHBondContact OD1-CB 3.48Å; D142-S144 PolarHBondContact OD1-N 2.85Å; D142-S144 PolarHBondContact OD1-OG 3.3Å; D142-R145 HydrophobicContact CB-CG 4.24Å; D142-R145 WeakPolarHBondContact O-CA 3.49Å; D142-R145 WeakPolarHBondContact O-CB 3.44Å; D142-R145 PolarHBondContact O-N 3.4Å
143R97.8Very high97.6Very high85 Ų8565.1 Ų65.132%0.32135%0.348SS..G310 helixtrans-58.2-30.1-178.3-67.2-175.7-173.9-104-5.9112.6D132 L135 P141 R145 V146 A163 L165D132-R143 IonicContact OD1-CZ 3.37Å; D132-R143 IonicContact OD1-NH1 3.04Å; D132-R143 PolarHBondContact OD1-NH1 2.78Å; D132-R143 IonicContact OD1-NH2 2.71Å; D132-R143 PolarHBondContact OD1-NH2 3.3Å; L135-R143 HydrophobicContact CD1-CG 4.27Å; P141-R143 PolarHBondContact O-N 3.02Å; R143-R145 PolarHBondContact O-N 3.38Å; R143-V146 PolarHBondContact O-N 2.91Å; R143-V146 VanDerWaalsContact O-N 3.15Å; R143-A163 WeakPolarHBondContact CD-O 3.46Å; R143-A163 PolarHBondContact NH1-O 3.24Å; R143-L165 HydrophobicContact CB-CD2 3.86Å; R143-L165 HydrophobicContact CG-CD2 3.98Å
144S97.2Very high97.5Very high96 Ų9665.6 Ų65.667%0.67135%0.354SS*.G310 helixtrans-64.8-15.3174.765.60000113.7D142D142-S144 PolarHBondContact O-N 3.21Å; D142-S144 VanDerWaalsContact OD1-CB 3.32Å; D142-S144 WeakPolarHBondContact OD1-CB 3.48Å; D142-S144 PolarHBondContact OD1-N 2.85Å; D142-S144 PolarHBondContact OD1-OG 3.3Å
145R96.6Very high97.4Very high213 Ų21365.6 Ų65.680%0.80435%0.353SS*.G310 helixtrans-103.27.9178.5-60.1-178.460164.4-0.2113.2D142 R143D142-R145 HydrophobicContact CB-CG 4.24Å; D142-R145 WeakPolarHBondContact O-CA 3.49Å; D142-R145 WeakPolarHBondContact O-CB 3.44Å; D142-R145 PolarHBondContact O-N 3.4Å; R143-R145 PolarHBondContact O-N 3.38Å
146V98.1Very high97.4Very high34 Ų3465.3 Ų65.321%0.20635%0.352CS..  trans-116.8130.5-178.4-176.80000109.5L135 P141 R143 L165 A166L135-V146 HydrophobicContact CD2-CB 4.36Å; L135-V146 HydrophobicContact CD2-CG1 4.11Å; L135-V146 HydrophobicContact CD2-CG2 3.83Å; P141-V146 HydrophobicContact CB-CG2 4.09Å; P141-V146 HydrophobicContact CG-CG2 3.6Å; R143-V146 PolarHBondContact O-N 2.91Å; R143-V146 VanDerWaalsContact O-N 3.15Å; V146-L165 HydrophobicContact CB-CD2 4.04Å; V146-L165 HydrophobicContact CG1-CD1 4.04Å; V146-L165 HydrophobicContact CG1-CD2 4.23Å; V146-A166 PolarHBondContact O-N 3.06Å
147L98.3Very high97.5Very high50 Ų5059.8 Ų59.826%0.26233%0.326SS..EExtended strand (participates in β ladder)trans-112.6122.7175.6179.965.4000109.4V149 A166 C168 W185 L197L147-V149 HydrophobicContact CD2-CG2 3.83Å; L147-V149 HydrophobicContact CG-CG2 3.86Å; L147-A166 WeakPolarHBondContact CA-O 3.35Å; L147-A166 HydrophobicContact CD1-CB 3.95Å; L147-C168 HydrophobicContact CD1-CB 4.05Å; L147-C168 HydrophobicContact CD2-CB 4.24Å; L147-C168 HydrophobicContact CG-CB 4.41Å; L147-W185 HydrophobicContact CD1-CE3 4.02Å; L147-W185 HydrophobicContact CD1-CZ3 3.91Å; L147-L197 HydrophobicContact CD2-CD2 3.78Å
148M98.5Very high97.5Very high17 Ų1757 Ų578%0.08431%0.314CS..EExtended strand (participates in β ladder)trans-87.1122.1166.7178.759.6-167.100109.5K125 F131 D156 L165 A166 T167 C168K125-M148 HydrophobicContact CD-CE 4.44Å; F131-M148 HydrophobicContact CE1-CE 4.3Å; F131-M148 HydrophobicContact CE1-CG 4Å; F131-M148 HydrophobicContact CE1-SD 3.82Å; M148-D156 HydrophobicContact CE-CB 3.67Å; M148-D156 WeakPolarHBondContact CE-OD1 3.4Å; M148-D156 WeakPolarHBondContact CG-O 3.38Å; M148-L165 HydrophobicContact CB-CD1 4.4Å; M148-A166 PolarHBondContact N-O 2.83Å; M148-T167 HydrophobicContact CB-CG2 4.26Å; M148-T167 CarbonylContact O-C 3.54Å; M148-T167 VanDerWaalsContact O-CA 3.27Å; M148-T167 WeakPolarHBondContact O-CA 3.44Å; M148-C168 PolarHBondContact O-N 3.1Å
149V98.6Very high97.6Very high54 Ų5455.8 Ų55.833%0.32730%0.304SS..EExtended strand (participates in β ladder)trans-113.7130.9175.5-175.30000108.6L147 C168 L193L147-V149 HydrophobicContact CD2-CG2 3.83Å; L147-V149 HydrophobicContact CG-CG2 3.86Å; V149-C168 WeakPolarHBondContact CA-O 3.41Å; V149-C168 HydrophobicContact CG2-CB 4.21Å; V149-L193 HydrophobicContact CB-CD2 4.42Å; V149-L193 HydrophobicContact CG1-CD2 3.52Å; V149-L193 HydrophobicContact CG2-CD2 4.09Å
150G98Very high97.7Very high10 Ų1053 Ų5310%0.10328%0.275CS..EExtended strand (participates in β ladder)trans-167.8166.2176.300000112.9C168 L170G150-C168 PolarHBondContact N-O 3.33Å; G150-L170 PolarHBondContact O-N 3.42Å
151D97.3Very high97.8Very high80 Ų8050.7 Ų50.743%0.42826%0.262SS..SBendtrans-98.2-19.7-176.770.7-53.6000112.8D156 W169 L170D151-D156 PolarHBondContact N-OD2 2.9Å; D151-W169 PolarHBondContact O-NE1 2.89Å; D151-L170 WeakPolarHBondContact CA-O 3.36Å
152T96.5Very high97.8Very high43 Ų4351.7 Ų51.726%0.26427%0.265SS..  trans-100.2103.2-176.4-56.50000110.3E154 S155 D156T152-E154 VanDerWaalsContact C-N 3.32Å; T152-E154 PolarHBondContact O-N 3.23Å; T152-S155 WeakPolarHBondContact CB-OG 3.36Å; T152-S155 WeakPolarHBondContact CG2-OG 3.46Å; T152-S155 PolarHBondContact O-N 3Å; T152-D156 WeakPolarHBondContact CB-OD2 3.11Å; T152-D156 PolarHBondContact N-OD2 2.88Å; T152-D156 VanDerWaalsContact O-CB 3.29Å; T152-D156 WeakPolarHBondContact O-CB 3.45Å; T152-D156 PolarHBondContact O-N 3.46Å
153A97.5Very high97.9Very high3 Ų346.9 Ų46.93%0.02524%0.239CC..Iπ-helixtrans-53.7-46.4-176.100000112.8S155 I157 L158 W169 P178 I181A153-S155 VanDerWaalsContact C-N 3.29Å; A153-S155 PolarHBondContact O-N 3.34Å; A153-I157 WeakPolarHBondContact O-CB 3.42Å; A153-I157 PolarHBondContact O-N 3.17Å; A153-L158 PolarHBondContact O-N 3.26Å; A153-W169 HydrophobicContact CB-CZ2 4.04Å; A153-P178 HydrophobicContact CB-CG 3.81Å; A153-I181 HydrophobicContact CB-CD1 4.43Å; A153-I181 HydrophobicContact CB-CG2 4.41Å
154E96.2Very high97.9Very high100 Ų10045.3 Ų45.347%0.46725%0.25SC..Iπ-helixtrans-70.6-22.5-173.5-58.282.1177.900113.5P126 T152 L158 P178 I181P126-E154 WeakPolarHBondContact CB-O 3.46Å; P126-E154 WeakPolarHBondContact CG-O 3.39Å; T152-E154 VanDerWaalsContact C-N 3.32Å; T152-E154 PolarHBondContact O-N 3.23Å; E154-L158 WeakPolarHBondContact O-CB 3.47Å; E154-P178 WeakPolarHBondContact OE1-CG 3.39Å; E154-I181 HydrophobicContact CG-CD1 4.32Å
155S97.1Very high97.9Very high6 Ų641.5 Ų41.54%0.04222%0.222CC..Iπ-helixtrans-111.8-47.7-178.775.40000112.7Q29 K125 P126 T152 A153 G159Q29-S155 VanDerWaalsContact NE2-CB 3.35Å; K125-S155 WeakPolarHBondContact CB-O 3.48Å; P126-S155 WeakPolarHBondContact CA-O 3.37Å; T152-S155 WeakPolarHBondContact CB-OG 3.36Å; T152-S155 WeakPolarHBondContact CG2-OG 3.46Å; T152-S155 PolarHBondContact O-N 3Å; A153-S155 VanDerWaalsContact C-N 3.29Å; A153-S155 PolarHBondContact O-N 3.34Å; S155-G159 WeakPolarHBondContact O-CA 3.49Å; S155-G159 PolarHBondContact O-N 3.19Å
156D98.3Very high98Very high6 Ų632.7 Ų32.73%0.03219%0.194CC..Iπ-helixtrans-79.4-53.8-176.3-60.6-45.1000111.5K125 M148 D151 T152 G159 G160K125-D156 WeakPolarHBondContact CE-OD1 3.25Å; K125-D156 IonicContact NZ-OD1 2.63Å; K125-D156 PolarHBondContact NZ-OD1 2.96Å; M148-D156 HydrophobicContact CE-CB 3.67Å; M148-D156 WeakPolarHBondContact CE-OD1 3.4Å; M148-D156 WeakPolarHBondContact CG-O 3.38Å; D151-D156 PolarHBondContact N-OD2 2.9Å; T152-D156 WeakPolarHBondContact CB-OD2 3.11Å; T152-D156 PolarHBondContact N-OD2 2.88Å; T152-D156 VanDerWaalsContact O-CB 3.29Å; T152-D156 WeakPolarHBondContact O-CB 3.45Å; T152-D156 PolarHBondContact O-N 3.46Å; D156-G159 PolarHBondContact O-N 3.2Å; D156-G160 PolarHBondContact O-N 2.75Å
157I98.6Very high98.1Very high1 Ų131.1 Ų31.11%0.00519%0.185CC..Iπ-helixtrans-76.4-49.4-171.6-52.3-54.6000109.7A153 G159 G160 I161 T167 W169 I181 P183A153-I157 WeakPolarHBondContact O-CB 3.42Å; A153-I157 PolarHBondContact O-N 3.17Å; I157-G159 PolarHBondContact O-N 3.26Å; I157-G160 PolarHBondContact O-N 3.16Å; I157-I161 HydrophobicContact CG2-CD1 3.97Å; I157-I161 WeakPolarHBondContact O-CB 3.32Å; I157-I161 VanDerWaalsContact O-CG1 3.28Å; I157-I161 WeakPolarHBondContact O-CG1 3.41Å; I157-I161 PolarHBondContact O-N 3.17Å; I157-T167 HydrophobicContact CG2-CG2 4.4Å; I157-W169 HydrophobicContact CD1-CB 3.81Å; I157-W169 HydrophobicContact CD1-CG 4.31Å; I157-W169 HydrophobicContact CG1-CB 3.87Å; I157-W169 HydrophobicContact CG1-CG 3.95Å; I157-I181 HydrophobicContact CB-CG2 3.94Å; I157-I181 HydrophobicContact CG2-CG2 3.6Å; I157-P183 HydrophobicContact CG2-CB 3.71Å; I157-P183 HydrophobicContact CG2-CG 4.45Å
158L98.4Very high98.1Very high50 Ų5028.8 Ų28.826%0.26217%0.172SC..Hα-helixtrans-58.1-39.8172.1-178.857.9000111.4P126 A153 E154 I161 N162 I181P126-L158 HydrophobicContact CB-CB 4.13Å; P126-L158 HydrophobicContact CB-CD2 4.19Å; P126-L158 HydrophobicContact CB-CG 4.01Å; P126-L158 HydrophobicContact CG-CD2 4.1Å; P126-L158 HydrophobicContact CG-CG 4.45Å; A153-L158 PolarHBondContact O-N 3.26Å; E154-L158 WeakPolarHBondContact O-CB 3.47Å; L158-I161 PolarHBondContact O-N 2.82Å; L158-N162 WeakPolarHBondContact O-CB 3.43Å; L158-N162 PolarHBondContact O-N 3.15Å; L158-N162 PolarHBondContact O-ND2 3Å; L158-I181 HydrophobicContact CB-CD1 4.01Å; L158-I181 HydrophobicContact CB-CG1 4.36Å; L158-I181 HydrophobicContact CD1-CG1 4.48Å; L158-I181 HydrophobicContact CD2-CD1 4.4Å
159G98.4Very high98.1Very high0 Ų028.3 Ų28.30%017%0.17CC..Hα-helixtrans-63.4-45.1176.700000113.3P126 F131 S155 D156 I157 N162 A163P126-G159 WeakPolarHBondContact O-CA 3.3Å; F131-G159 VanDerWaalsContact CE2-C 3.46Å; F131-G159 VanDerWaalsContact CZ-CA 3.44Å; S155-G159 WeakPolarHBondContact O-CA 3.49Å; S155-G159 PolarHBondContact O-N 3.19Å; D156-G159 PolarHBondContact O-N 3.2Å; I157-G159 PolarHBondContact O-N 3.26Å; G159-N162 PolarHBondContact O-N 3.07Å; G159-A163 WeakPolarHBondContact O-CB 3.29Å; G159-A163 PolarHBondContact O-N 3.29Å
160G98.6Very high98.1Very high0 Ų026.6 Ų26.60%016%0.159CC..Hα-helixtrans-61.9-43.2174.100000112.6D156 I157 A163 G164 L165D156-G160 PolarHBondContact O-N 2.75Å; I157-G160 PolarHBondContact O-N 3.16Å; G160-A163 CarbonylContact O-C 3.58Å; G160-A163 VanDerWaalsContact O-C 3.32Å; G160-A163 WeakPolarHBondContact O-CA 3.4Å; G160-A163 PolarHBondContact O-N 3.1Å; G160-A163 VanDerWaalsContact O-N 3.14Å; G160-G164 PolarHBondContact O-N 3.1Å; G160-L165 WeakPolarHBondContact O-CB 3.44Å; G160-L165 PolarHBondContact O-N 3.38Å
161I98.5Very high98.1Very high62 Ų6227 Ų2732%0.31816%0.158SC..Hα-helixtrans-61.4-47.3175-69.5165.7000110.9I157 L158 A163 G164 T167 I181I157-I161 HydrophobicContact CG2-CD1 3.97Å; I157-I161 WeakPolarHBondContact O-CB 3.32Å; I157-I161 VanDerWaalsContact O-CG1 3.28Å; I157-I161 WeakPolarHBondContact O-CG1 3.41Å; I157-I161 PolarHBondContact O-N 3.17Å; L158-I161 PolarHBondContact O-N 2.82Å; I161-A163 PolarHBondContact O-N 3.23Å; I161-G164 WeakPolarHBondContact O-CA 3.43Å; I161-G164 PolarHBondContact O-N 3.38Å; I161-T167 HydrophobicContact CG1-CG2 4.09Å; I161-I181 HydrophobicContact CD1-CG2 4.21Å
162N98.1Very high98Very high74 Ų7425.6 Ų25.640%0.39616%0.158SC..Hα-helixtrans-59.1-32.2176-71.5-20000111.6P126 K128 L158 G159 G164P126-N162 PolarHBondContact O-ND2 2.92Å; P126-N162 VanDerWaalsContact O-ND2 3.13Å; K128-N162 HydrophobicContact CB-CB 4.38Å; K128-N162 WeakPolarHBondContact CD-O 3.44Å; K128-N162 WeakPolarHBondContact CE-O 3.49Å; L158-N162 WeakPolarHBondContact O-CB 3.43Å; L158-N162 PolarHBondContact O-N 3.15Å; L158-N162 PolarHBondContact O-ND2 3Å; G159-N162 PolarHBondContact O-N 3.07Å; N162-G164 VanDerWaalsContact C-N 3.31Å
163A98.3Very high98Very high1 Ų130 Ų301%0.00818%0.175CC..THydrogen-bonded Turntrans-84.84.5173.800000113.9K128 F131 R143 G159 G160 I161 L165K128-A163 HydrophobicContact CG-CB 4.28Å; F131-A163 HydrophobicContact CB-CB 3.48Å; F131-A163 VanDerWaalsContact CB-CB 3.48Å; F131-A163 HydrophobicContact CD1-CB 4.28Å; F131-A163 HydrophobicContact CD2-CB 4.45Å; F131-A163 HydrophobicContact CG-CB 3.84Å; R143-A163 WeakPolarHBondContact CD-O 3.46Å; R143-A163 PolarHBondContact NH1-O 3.24Å; G159-A163 WeakPolarHBondContact O-CB 3.29Å; G159-A163 PolarHBondContact O-N 3.29Å; G160-A163 CarbonylContact O-C 3.58Å; G160-A163 VanDerWaalsContact O-C 3.32Å; G160-A163 WeakPolarHBondContact O-CA 3.4Å; G160-A163 PolarHBondContact O-N 3.1Å; G160-A163 VanDerWaalsContact O-N 3.14Å; I161-A163 PolarHBondContact O-N 3.23Å; A163-L165 HydrophobicContact CB-CD1 4.13Å; A163-L165 HydrophobicContact CB-CG 3.89Å; A163-L165 PolarHBondContact O-N 3.26Å
164G98.2Very high97.9Very high52 Ų5237 Ų3754%0.53621%0.207SC..THydrogen-bonded Turntrans61.632.4179.600000113.5G160 I161 N162G160-G164 PolarHBondContact O-N 3.1Å; I161-G164 WeakPolarHBondContact O-CA 3.43Å; I161-G164 PolarHBondContact O-N 3.38Å; N162-G164 VanDerWaalsContact C-N 3.31Å
165L98.6Very high97.9Very high16 Ų1638 Ų388%0.08421%0.206CC..  trans-97.9154.7177.7-53.4-176000110.3F131 L135 R143 V146 M148 G160 A163F131-L165 HydrophobicContact CD1-CD1 4.18Å; L135-L165 HydrophobicContact CD1-CD2 4.21Å; L135-L165 HydrophobicContact CD2-CD2 4.47Å; R143-L165 HydrophobicContact CB-CD2 3.86Å; R143-L165 HydrophobicContact CG-CD2 3.98Å; V146-L165 HydrophobicContact CB-CD2 4.04Å; V146-L165 HydrophobicContact CG1-CD1 4.04Å; V146-L165 HydrophobicContact CG1-CD2 4.23Å; M148-L165 HydrophobicContact CB-CD1 4.4Å; G160-L165 WeakPolarHBondContact O-CB 3.44Å; G160-L165 PolarHBondContact O-N 3.38Å; A163-L165 HydrophobicContact CB-CD1 4.13Å; A163-L165 HydrophobicContact CB-CG 3.89Å; A163-L165 PolarHBondContact O-N 3.26Å
166A98.5Very high97.9Very high28 Ų2846.3 Ų46.323%0.23125%0.245CC..EExtended strand (participates in β ladder)trans-65.5147.7160.600000108.9V146 L147 M148 W185V146-A166 PolarHBondContact O-N 3.06Å; L147-A166 WeakPolarHBondContact CA-O 3.35Å; L147-A166 HydrophobicContact CD1-CB 3.95Å; M148-A166 PolarHBondContact N-O 2.83Å; A166-W185 HydrophobicContact CB-CZ3 3.97Å
167T98.8Very high97.8Very high1 Ų150.5 Ų50.51%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-132.7136.5-177.962.80000111.8M148 I157 I161 P183 T184 W185M148-T167 HydrophobicContact CB-CG2 4.26Å; M148-T167 CarbonylContact O-C 3.54Å; M148-T167 VanDerWaalsContact O-CA 3.27Å; M148-T167 WeakPolarHBondContact O-CA 3.44Å; I157-T167 HydrophobicContact CG2-CG2 4.4Å; I161-T167 HydrophobicContact CG1-CG2 4.09Å; T167-P183 VanDerWaalsContact OG1-CA 3.25Å; T167-P183 WeakPolarHBondContact OG1-CA 3.41Å; T167-T184 PolarHBondContact N-OG1 2.99Å; T167-T184 WeakPolarHBondContact O-CA 3.5Å; T167-T184 VanDerWaalsContact O-CB 3.29Å; T167-T184 WeakPolarHBondContact O-CB 3.25Å; T167-T184 PolarHBondContact O-N 3.32Å; T167-T184 PolarHBondContact OG1-N 3.49Å; T167-W185 PolarHBondContact O-N 3.36Å
168C98.7Very high97.7Very high0 Ų052 Ų520%027%0.274CS..EExtended strand (participates in β ladder)trans-116.1116.8169.5-172.30000110.1L147 M148 V149 G150 W185 L193L147-C168 HydrophobicContact CD1-CB 4.05Å; L147-C168 HydrophobicContact CD2-CB 4.24Å; L147-C168 HydrophobicContact CG-CB 4.41Å; M148-C168 PolarHBondContact O-N 3.1Å; V149-C168 WeakPolarHBondContact CA-O 3.41Å; V149-C168 HydrophobicContact CG2-CB 4.21Å; G150-C168 PolarHBondContact N-O 3.33Å; C168-W185 CarbonylContact C-O 3.55Å; C168-W185 VanDerWaalsContact CA-O 3.27Å; C168-W185 WeakPolarHBondContact CA-O 3.37Å; C168-W185 HydrophobicContact CB-CB 4.4Å; C168-L193 HydrophobicContact CB-CD1 4.33Å
169W98.8Very high97.6Very high8 Ų859 Ų593%0.0331%0.305CS..EExtended strand (participates in β ladder)trans-86.9116.3177.3-17327.6000111D151 A153 I157 N171 R175 Q177 P183 W185 T186 V187D151-W169 PolarHBondContact O-NE1 2.89Å; A153-W169 HydrophobicContact CB-CZ2 4.04Å; I157-W169 HydrophobicContact CD1-CB 3.81Å; I157-W169 HydrophobicContact CD1-CG 4.31Å; I157-W169 HydrophobicContact CG1-CB 3.87Å; I157-W169 HydrophobicContact CG1-CG 3.95Å; W169-N171 HydrophobicContact CD2-CB 3.91Å; W169-N171 HydrophobicContact CE3-CB 4.1Å; W169-N171 HydrophobicContact CG-CB 4.41Å; W169-N171 HydrophobicContact CH2-CB 4.36Å; W169-N171 VanDerWaalsContact CH2-ND2 3.35Å; W169-N171 WeakPolarHBondContact CH2-ND2 3.21Å; W169-N171 HydrophobicContact CZ2-CB 4.16Å; W169-N171 HydrophobicContact CZ3-CB 4.32Å; W169-N171 WeakPolarHBondContact CZ3-ND2 3.28Å; W169-N171 PolarHBondContact O-N 3.2Å; W169-R175 HydrophobicContact CH2-CB 4.18Å; W169-R175 WeakPolarHBondContact CH2-O 3.39Å; W169-R175 HydrophobicContact CZ2-CB 4.17Å; W169-Q177 HydrophobicContact CH2-CB 4.48Å; W169-Q177 HydrophobicContact CZ3-CB 3.86Å; W169-Q177 HydrophobicContact CZ3-CG 4.1Å; W169-P183 HydrophobicContact CB-CB 3.96Å; W169-P183 HydrophobicContact CB-CG 4.02Å; W169-P183 HydrophobicContact CE3-CG 4.34Å; W169-W185 PolarHBondContact N-O 2.99Å; W169-T186 HydrophobicContact CB-CG2 4.44Å; W169-T186 HydrophobicContact CE3-CG2 4Å; W169-T186 WeakPolarHBondContact O-CA 3.38Å; W169-V187 PolarHBondContact O-N 2.91Å
170L98.5Very high97.5Very high18 Ų1862.8 Ų62.89%0.09434%0.344CS..EExtended strand (participates in β ladder)trans-82.188.8171.6179.963.4000109.5L72 G150 D151 A172 V187 L190L72-L170 HydrophobicContact CD1-CD2 4.08Å; G150-L170 PolarHBondContact O-N 3.42Å; D151-L170 WeakPolarHBondContact CA-O 3.36Å; L170-A172 PolarHBondContact O-N 2.95Å; L170-V187 CarbonylContact C-O 3.32Å; L170-V187 WeakPolarHBondContact CA-O 3.27Å; L170-V187 HydrophobicContact CD1-CG2 3.98Å; L170-L190 HydrophobicContact CD1-CD2 4.31Å; L170-L190 HydrophobicContact CD2-CD2 3.71Å; L170-L190 HydrophobicContact CD2-CG 4.23Å
171N97.9Very high97.4Very high17 Ų1763.3 Ų63.39%0.09135%0.347CS..  trans-97.963.2-177.5-1688.5000111.9W169 H173 H174 R175 T186 V187W169-N171 HydrophobicContact CD2-CB 3.91Å; W169-N171 HydrophobicContact CE3-CB 4.1Å; W169-N171 HydrophobicContact CG-CB 4.41Å; W169-N171 HydrophobicContact CH2-CB 4.36Å; W169-N171 VanDerWaalsContact CH2-ND2 3.35Å; W169-N171 WeakPolarHBondContact CH2-ND2 3.21Å; W169-N171 HydrophobicContact CZ2-CB 4.16Å; W169-N171 HydrophobicContact CZ3-CB 4.32Å; W169-N171 WeakPolarHBondContact CZ3-ND2 3.28Å; W169-N171 PolarHBondContact O-N 3.2Å; N171-H173 PolarHBondContact O-N 3.45Å; N171-H173 VanDerWaalsContact O-N 3.08Å; N171-H174 PolarHBondContact O-N 3.17Å; N171-H174 WeakPolarHBondContact OD1-CA 3.4Å; N171-H174 PolarHBondContact OD1-N 3.34Å; N171-H174 VanDerWaalsContact OD1-N 3.16Å; N171-R175 PolarHBondContact ND2-N 2.76Å; N171-R175 PolarHBondContact ND2-O 2.92Å; N171-R175 PolarHBondContact OD1-N 3.34Å; N171-T186 HydrophobicContact CB-CG2 3.8Å; N171-V187 PolarHBondContact N-O 3.43Å
172A96.1Very high97.4Very high51 Ų5163.6 Ų63.642%0.42136%0.358SS..THydrogen-bonded Turntrans-63.6-14.8-178.100000114.5L170 S188L170-A172 PolarHBondContact O-N 2.95Å; A172-S188 VanDerWaalsContact CA-O 3.27Å; A172-S188 WeakPolarHBondContact CA-O 3.23Å; A172-S188 WeakPolarHBondContact CB-O 3.38Å
173H95.6Very high97.4Very high136 Ų13661 Ų6163%0.6335%0.346SS*.THydrogen-bonded Turntrans-110.59.4-178.7-59.2-59.2000113.2N171 R175N171-H173 PolarHBondContact O-N 3.45Å; N171-H173 VanDerWaalsContact O-N 3.08Å; H173-R175 HydrophobicContact CB-CG 4.19Å; H173-R175 PolarHBondContact O-N 3.13Å; H173-R175 VanDerWaalsContact O-N 3.17Å
174H95.9Very high97.4Very high150 Ų15064.5 Ų64.569%0.69437%0.367SS*.  trans49.941.2-180-53.8-69.3000113.4N171N171-H174 PolarHBondContact O-N 3.17Å; N171-H174 WeakPolarHBondContact OD1-CA 3.4Å; N171-H174 PolarHBondContact OD1-N 3.34Å; N171-H174 VanDerWaalsContact OD1-N 3.16Å
175R96.1Very high97.4Very high120 Ų12067.6 Ų67.645%0.45336%0.362SS..PPolyproline II helixtrans-64.1147.8174.8-60.4-179.5-172.6157.25.9109.6W169 N171 H173W169-R175 HydrophobicContact CH2-CB 4.18Å; W169-R175 WeakPolarHBondContact CH2-O 3.39Å; W169-R175 HydrophobicContact CZ2-CB 4.17Å; N171-R175 PolarHBondContact ND2-N 2.76Å; N171-R175 PolarHBondContact ND2-O 2.92Å; N171-R175 PolarHBondContact OD1-N 3.34Å; H173-R175 HydrophobicContact CB-CG 4.19Å; H173-R175 PolarHBondContact O-N 3.13Å; H173-R175 VanDerWaalsContact O-N 3.17Å
176E96.9Very high97.4Very high181 Ų18170 Ų7085%0.84638%0.378SS*.PPolyproline II helixtrans-60.6137.6170.5-171.8172.3-173.300109.8P178E176-P178 WeakPolarHBondContact O-CD 3.23Å
177Q96.7Very high97.4Very high95 Ų9569.1 Ų69.144%0.44437%0.37SS..PPolyproline II helixtrans-70.5122.4177-174.5-179.9-54.500109W169 I181W169-Q177 HydrophobicContact CH2-CB 4.48Å; W169-Q177 HydrophobicContact CZ3-CB 3.86Å; W169-Q177 HydrophobicContact CZ3-CG 4.1Å; Q177-I181 VanDerWaalsContact CD-O 3.27Å; Q177-I181 VanDerWaalsContact CG-O 3.25Å; Q177-I181 WeakPolarHBondContact CG-O 3.35Å; Q177-I181 PolarHBondContact NE2-O 3.14Å
178P95.7Very high97.3Very high31 Ų3170.9 Ų70.920%0.20138%0.382CS..PPolyproline II helixtrans-61.1143.9178.1-22.233000111.9A153 E154 E176 G180 I181A153-P178 HydrophobicContact CB-CG 3.81Å; E154-P178 WeakPolarHBondContact OE1-CG 3.39Å; E176-P178 WeakPolarHBondContact O-CD 3.23Å; P178-G180 PolarHBondContact O-N 3.39Å; P178-I181 HydrophobicContact CB-CD1 3.96Å; P178-I181 HydrophobicContact CB-CG1 4.34Å; P178-I181 HydrophobicContact CG-CD1 4.26Å; P178-I181 PolarHBondContact O-N 2.95Å
179E96.3Very high97.3Very high199 Ų19972.8 Ų72.893%0.9340%0.395SS*.THydrogen-bonded Turntrans-57.9137177.7-168.6177.8-177.600111I181E179-I181 PolarHBondContact O-N 3.4Å
180G95.9Very high97.2Very high78 Ų7873.3 Ų73.380%0.80440%0.399SS*.THydrogen-bonded Turntrans78.1-7-179.800000115.6P178P178-G180 PolarHBondContact O-N 3.39Å
181I97.8Very high97.1Very high12 Ų1277.2 Ų77.26%0.06242%0.416CS..  trans-104.1104.2175.3-55-178.4000108.8A153 E154 I157 L158 I161 Q177 P178 E179 P183A153-I181 HydrophobicContact CB-CD1 4.43Å; A153-I181 HydrophobicContact CB-CG2 4.41Å; E154-I181 HydrophobicContact CG-CD1 4.32Å; I157-I181 HydrophobicContact CB-CG2 3.94Å; I157-I181 HydrophobicContact CG2-CG2 3.6Å; L158-I181 HydrophobicContact CB-CD1 4.01Å; L158-I181 HydrophobicContact CB-CG1 4.36Å; L158-I181 HydrophobicContact CD1-CG1 4.48Å; L158-I181 HydrophobicContact CD2-CD1 4.4Å; I161-I181 HydrophobicContact CD1-CG2 4.21Å; Q177-I181 VanDerWaalsContact CD-O 3.27Å; Q177-I181 VanDerWaalsContact CG-O 3.25Å; Q177-I181 WeakPolarHBondContact CG-O 3.35Å; Q177-I181 PolarHBondContact NE2-O 3.14Å; P178-I181 HydrophobicContact CB-CD1 3.96Å; P178-I181 HydrophobicContact CB-CG1 4.34Å; P178-I181 HydrophobicContact CG-CD1 4.26Å; P178-I181 PolarHBondContact O-N 2.95Å; E179-I181 PolarHBondContact O-N 3.4Å; I181-P183 WeakPolarHBondContact O-CD 3.46Å
182A97.6Very high97.1Very high68 Ų6880 Ų8056%0.56243%0.429SS*.  trans-113.394.7-178.100000111.3
183P98.4Very high97.2Very high20 Ų2077.8 Ų77.813%0.1341%0.409CS..  trans-66.8148.5177.426.6-32.5000111.9I157 T167 W169 I181 W185 T186I157-P183 HydrophobicContact CG2-CB 3.71Å; I157-P183 HydrophobicContact CG2-CG 4.45Å; T167-P183 VanDerWaalsContact OG1-CA 3.25Å; T167-P183 WeakPolarHBondContact OG1-CA 3.41Å; W169-P183 HydrophobicContact CB-CB 3.96Å; W169-P183 HydrophobicContact CB-CG 4.02Å; W169-P183 HydrophobicContact CE3-CG 4.34Å; I181-P183 WeakPolarHBondContact O-CD 3.46Å; P183-W185 VanDerWaalsContact C-N 3.3Å; P183-W185 WeakPolarHBondContact CB-O 3.24Å; P183-W185 PolarHBondContact O-N 2.81Å; P183-T186 WeakPolarHBondContact CG-OG1 3.43Å
184T98.5Very high97.2Very high74 Ų7473.1 Ų73.145%0.45439%0.388SS..SBendtrans-61-40.3172.2-42.40000112T167T167-T184 PolarHBondContact N-OG1 2.99Å; T167-T184 WeakPolarHBondContact O-CA 3.5Å; T167-T184 VanDerWaalsContact O-CB 3.29Å; T167-T184 WeakPolarHBondContact O-CB 3.25Å; T167-T184 PolarHBondContact O-N 3.32Å; T167-T184 PolarHBondContact OG1-N 3.49Å
185W98.3Very high97.2Very high116 Ų11671.3 Ų71.344%0.43938%0.38SS..EExtended strand (participates in β ladder)trans-138.7152.9174.3-61.4-79.2000111L147 A166 T167 C168 W169 P183 L196L147-W185 HydrophobicContact CD1-CE3 4.02Å; L147-W185 HydrophobicContact CD1-CZ3 3.91Å; A166-W185 HydrophobicContact CB-CZ3 3.97Å; T167-W185 PolarHBondContact O-N 3.36Å; C168-W185 CarbonylContact C-O 3.55Å; C168-W185 VanDerWaalsContact CA-O 3.27Å; C168-W185 WeakPolarHBondContact CA-O 3.37Å; C168-W185 HydrophobicContact CB-CB 4.4Å; W169-W185 PolarHBondContact N-O 2.99Å; P183-W185 VanDerWaalsContact C-N 3.3Å; P183-W185 WeakPolarHBondContact CB-O 3.24Å; P183-W185 PolarHBondContact O-N 2.81Å; W185-L196 HydrophobicContact CB-CD2 3.82Å; W185-L196 HydrophobicContact CD2-CD2 4.07Å; W185-L196 HydrophobicContact CG-CD1 4.45Å; W185-L196 HydrophobicContact CG-CD2 3.68Å
186T98.5Very high97.1Very high67 Ų6767.7 Ų67.741%0.41137%0.369SS..EExtended strand (participates in β ladder)trans-127133.7169.6-58.80000108.2W169 N171 P183W169-T186 HydrophobicContact CB-CG2 4.44Å; W169-T186 HydrophobicContact CE3-CG2 4Å; W169-T186 WeakPolarHBondContact O-CA 3.38Å; N171-T186 HydrophobicContact CB-CG2 3.8Å; P183-T186 WeakPolarHBondContact CG-OG1 3.43Å
187V98.2Very high97Very high10 Ų1062.9 Ų62.96%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-130.4149.3178.3-650000109.4W169 L170 N171 E192 L193 L196W169-V187 PolarHBondContact O-N 2.91Å; L170-V187 CarbonylContact C-O 3.32Å; L170-V187 WeakPolarHBondContact CA-O 3.27Å; L170-V187 HydrophobicContact CD1-CG2 3.98Å; N171-V187 PolarHBondContact N-O 3.43Å; V187-E192 WeakPolarHBondContact CA-OE2 3.49Å; V187-E192 HydrophobicContact CB-CB 3.92Å; V187-E192 HydrophobicContact CG1-CB 4.05Å; V187-L193 HydrophobicContact CG2-CB 4.19Å; V187-L196 HydrophobicContact CG1-CD2 4.37Å
188S97.6Very high96.6Very high37 Ų3760.3 Ų60.326%0.25934%0.341SS..SBendtrans-91.4-15.1178.778.70000112.9A172 E192A172-S188 VanDerWaalsContact CA-O 3.27Å; A172-S188 WeakPolarHBondContact CA-O 3.23Å; A172-S188 WeakPolarHBondContact CB-O 3.38Å; S188-E192 PolarHBondContact N-OE2 3.06Å; S188-E192 VanDerWaalsContact OG-CD 3.22Å; S188-E192 PolarHBondContact OG-OE1 3.34Å; S188-E192 PolarHBondContact OG-OE2 2.81Å
189S97.8Very high95.4Very high40 Ų4066.7 Ų66.728%0.2837%0.366SS..SBendtrans-151.1162.1-177.369.70000112.7H191 E192 L193S189-H191 PolarHBondContact O-N 3.4Å; S189-H191 PolarHBondContact OG-N 3.23Å; S189-E192 PolarHBondContact O-N 3.13Å; S189-E192 PolarHBondContact OG-N 3.23Å; S189-L193 PolarHBondContact O-N 3.19Å; S189-L193 VanDerWaalsContact O-N 3.17Å
190L97.4Very high93.3Very high20 Ų2069.5 Ų69.511%0.10538%0.378CS..Hα-helixtrans-67.6-22172.8-64.5-179000112.7L72 A75 L78 L170 L193 E194L72-L190 HydrophobicContact CB-CD1 3.73Å; L72-L190 HydrophobicContact CD1-CD1 4.31Å; A75-L190 HydrophobicContact CB-CD1 3.64Å; L78-L190 HydrophobicContact CD2-CB 4.24Å; L78-L190 HydrophobicContact CD2-CD2 3.92Å; L170-L190 HydrophobicContact CD1-CD2 4.31Å; L170-L190 HydrophobicContact CD2-CD2 3.71Å; L170-L190 HydrophobicContact CD2-CG 4.23Å; L190-L193 HydrophobicContact CD2-CD2 4.23Å; L190-L193 PolarHBondContact O-N 3.38Å; L190-E194 PolarHBondContact O-N 3.14Å
191H96.5Very high93.2Very high99 Ų9969.1 Ų69.146%0.45836%0.357SS..Hα-helixtrans-70.7-42.1173.2-17664.6000111.8S189 L193 E194 Q195S189-H191 PolarHBondContact O-N 3.4Å; S189-H191 PolarHBondContact OG-N 3.23Å; H191-L193 VanDerWaalsContact C-N 3.28Å; H191-L193 PolarHBondContact O-N 2.93Å; H191-E194 WeakPolarHBondContact O-CB 3.39Å; H191-E194 PolarHBondContact O-N 3.46Å; H191-Q195 PolarHBondContact NE2-NE2 3Å; H191-Q195 WeakPolarHBondContact O-CG 3.45Å; H191-Q195 PolarHBondContact O-N 2.93Å
192E97.3Very high92.9Very high77 Ų7772.1 Ų72.136%0.3637%0.372SS..Hα-helixtrans-62.7-37.9172.5-76.3178.3-161.900111.6V187 S188 S189 Q195 L196V187-E192 WeakPolarHBondContact CA-OE2 3.49Å; V187-E192 HydrophobicContact CB-CB 3.92Å; V187-E192 HydrophobicContact CG1-CB 4.05Å; S188-E192 PolarHBondContact N-OE2 3.06Å; S188-E192 VanDerWaalsContact OG-CD 3.22Å; S188-E192 PolarHBondContact OG-OE1 3.34Å; S188-E192 PolarHBondContact OG-OE2 2.81Å; S189-E192 PolarHBondContact O-N 3.13Å; S189-E192 PolarHBondContact OG-N 3.23Å; E192-Q195 PolarHBondContact O-N 2.95Å; E192-L196 WeakPolarHBondContact O-CB 3.41Å; E192-L196 PolarHBondContact O-N 3.17Å
193L97.4Very high92.6Very high3 Ų372.3 Ų72.32%0.01636%0.362CS..Hα-helixtrans-61.8-43.7172.9-177.754.7000111.9L78 V149 C168 V187 S189 L190 H191 Q195 L196 L197L78-L193 HydrophobicContact CD1-CG 4.24Å; L78-L193 HydrophobicContact CD2-CB 4.39Å; L78-L193 HydrophobicContact CD2-CD2 3.62Å; L78-L193 HydrophobicContact CD2-CG 4.04Å; V149-L193 HydrophobicContact CB-CD2 4.42Å; V149-L193 HydrophobicContact CG1-CD2 3.52Å; V149-L193 HydrophobicContact CG2-CD2 4.09Å; C168-L193 HydrophobicContact CB-CD1 4.33Å; V187-L193 HydrophobicContact CG2-CB 4.19Å; S189-L193 PolarHBondContact O-N 3.19Å; S189-L193 VanDerWaalsContact O-N 3.17Å; L190-L193 HydrophobicContact CD2-CD2 4.23Å; L190-L193 PolarHBondContact O-N 3.38Å; H191-L193 VanDerWaalsContact C-N 3.28Å; H191-L193 PolarHBondContact O-N 2.93Å; L193-Q195 PolarHBondContact O-N 2.92Å; L193-L196 HydrophobicContact CD1-CD2 4.37Å; L193-L196 WeakPolarHBondContact O-CB 3.41Å; L193-L196 PolarHBondContact O-N 3.44Å; L193-L197 HydrophobicContact CD1-CD1 3.87Å; L193-L197 HydrophobicContact CD1-CG 3.95Å; L193-L197 HydrophobicContact CG-CD1 4Å; L193-L197 HydrophobicContact CG-CG 4.43Å; L193-L197 WeakPolarHBondContact O-CG 3.46Å; L193-L197 PolarHBondContact O-N 2.66Å
194E96.6Very high92.3Very high38 Ų3875.4 Ų75.418%0.17838%0.375CS..Hα-helixtrans-58.1-47.9175.6-170.4-174.6136.600110.8S77 L78 A81 L190 H191 L196 L197 C198S77-E194 VanDerWaalsContact CB-OE2 3.31Å; S77-E194 WeakPolarHBondContact CB-OE2 3.34Å; S77-E194 PolarHBondContact OG-OE2 3.29Å; L78-E194 HydrophobicContact CB-CB 4.44Å; L78-E194 HydrophobicContact CD1-CB 3.85Å; L78-E194 HydrophobicContact CD1-CG 4.3Å; L78-E194 PolarHBondContact N-OE2 3.07Å; A81-E194 HydrophobicContact CB-CG 3.85Å; L190-E194 PolarHBondContact O-N 3.14Å; H191-E194 WeakPolarHBondContact O-CB 3.39Å; H191-E194 PolarHBondContact O-N 3.46Å; E194-L196 VanDerWaalsContact C-N 3.3Å; E194-L196 PolarHBondContact O-N 3.49Å; E194-L197 PolarHBondContact O-N 3.14Å; E194-C198 VanDerWaalsContact O-CB 3.25Å; E194-C198 WeakPolarHBondContact O-CB 3.46Å; E194-C198 PolarHBondContact O-N 3.48Å
195Q95.6Very high91.9Very high113 Ų11375.4 Ų75.453%0.52837%0.37SS..Hα-helixtrans-61.3-37.7176-68.8-178.7-10.600112.9H191 E192 L193 K199H191-Q195 PolarHBondContact NE2-NE2 3Å; H191-Q195 WeakPolarHBondContact O-CG 3.45Å; H191-Q195 PolarHBondContact O-N 2.93Å; E192-Q195 PolarHBondContact O-N 2.95Å; L193-Q195 PolarHBondContact O-N 2.92Å; Q195-K199 WeakPolarHBondContact O-CG 3.36Å; Q195-K199 PolarHBondContact O-N 3.18Å
196L95Very high91.5Very high44 Ų4472.7 Ų72.723%0.2337%0.366CS..Hα-helixtrans-64.6-42.2177.7-179.466.4000111.7W185 V187 E192 L193 E194W185-L196 HydrophobicContact CB-CD2 3.82Å; W185-L196 HydrophobicContact CD2-CD2 4.07Å; W185-L196 HydrophobicContact CG-CD1 4.45Å; W185-L196 HydrophobicContact CG-CD2 3.68Å; V187-L196 HydrophobicContact CG1-CD2 4.37Å; E192-L196 WeakPolarHBondContact O-CB 3.41Å; E192-L196 PolarHBondContact O-N 3.17Å; L193-L196 HydrophobicContact CD1-CD2 4.37Å; L193-L196 WeakPolarHBondContact O-CB 3.41Å; L193-L196 PolarHBondContact O-N 3.44Å; E194-L196 VanDerWaalsContact C-N 3.3Å; E194-L196 PolarHBondContact O-N 3.49Å
197L94.1Very high91Very high80 Ų8073.1 Ų73.142%0.41936%0.362SS..Hα-helixtrans-83-33.6-175.7-65.7178.2000113.3L78 I82 L147 L193 E194L78-L197 HydrophobicContact CD1-CD1 4.16Å; I82-L197 HydrophobicContact CG2-CB 4.41Å; I82-L197 HydrophobicContact CG2-CD1 4.07Å; L147-L197 HydrophobicContact CD2-CD2 3.78Å; L193-L197 HydrophobicContact CD1-CD1 3.87Å; L193-L197 HydrophobicContact CD1-CG 3.95Å; L193-L197 HydrophobicContact CG-CD1 4Å; L193-L197 HydrophobicContact CG-CG 4.43Å; L193-L197 WeakPolarHBondContact O-CG 3.46Å; L193-L197 PolarHBondContact O-N 2.66Å; E194-L197 PolarHBondContact O-N 3.14Å
198C89.2Confident90.4Very high40 Ų4078 Ų7827%0.2739%0.386SS..SBendtrans-103.719.7-171.7-620000113.3E194 H200E194-C198 VanDerWaalsContact O-CB 3.25Å; E194-C198 WeakPolarHBondContact O-CB 3.46Å; E194-C198 PolarHBondContact O-N 3.48Å; C198-H200 PolarHBondContact O-N 3.37Å
199K69.4Low89.8Confident166 Ų16681.4 Ų81.472%0.72240%0.396SS*.  trans-42.9107.5-178.8-73.8-171.1178.4-179.50111.5Q195Q195-K199 WeakPolarHBondContact O-CG 3.36Å; Q195-K199 PolarHBondContact O-N 3.18Å
200H51.9Low89.1Confident257 Ų25785.2 Ų85.2100%1.1941%0.407SS*.  trans-80.10165.1-67.3-53.3000110C198C198-H200 PolarHBondContact O-N 3.37Å

Retrieved 200 of 200 residues in 587.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).