G4VLH6_SCHMA Loading...

Putative nep1

AlphaFold DB , UniProt , Accession G4VLH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 233 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M25.3Very low69.4Low233 Ų23387.4 Ų87.4100%1.14846%0.461SS*.  01300-65.2-173172.600106.4
2P34Very low71.9Confident125 Ų12580.1 Ų80.181%0.81242%0.423SS*.  trans-59144170.329.4-31.1000107.3N4P2-N4 PolarHBondContact O-N 3.2Å
3E39Very low74Confident175 Ų17573.9 Ų73.982%0.81839%0.39SS*.SBendtrans-37.5125.9-178.9-82.2174.9135.400110.5D5E3-D5 PolarHBondContact O-N 3.25Å
4N40.5Very low75.7Confident158 Ų15868.6 Ų68.685%0.84536%0.362SS*.  trans-29.5108.1176.2-161.320.5000109.6P2 A6P2-N4 PolarHBondContact O-N 3.2Å; N4-A6 PolarHBondContact O-N 2.96Å
5D57Low77.2Confident109 Ų10966.8 Ų66.858%0.58335%0.351SS*.  trans-73.273.6-164.6-148.36.8000108.5E3 V7E3-D5 PolarHBondContact O-N 3.25Å; D5-V7 PolarHBondContact O-N 2.98Å
6A82.6Confident78.5Confident40 Ų4062.6 Ų62.633%0.33133%0.329SS..  trans-59.5132.2-173.400000107.6N4 R8N4-A6 PolarHBondContact O-N 2.96Å; A6-R8 VanDerWaalsContact O-CG 3.31Å; A6-R8 WeakPolarHBondContact O-CG 3.46Å; A6-R8 PolarHBondContact O-N 3.32Å; A6-R8 VanDerWaalsContact O-N 3.15Å
7V93.3Very high79.6Confident33 Ų3359.5 Ų59.520%0.231%0.314CS..  trans-48.7124175.7170.50000109.3D5 K73 P167 Q168 W218D5-V7 PolarHBondContact O-N 2.98Å; V7-K73 WeakPolarHBondContact O-CD 3.35Å; V7-K73 PolarHBondContact O-NZ 3.4Å; V7-P167 HydrophobicContact CG1-CB 4.29Å; V7-P167 HydrophobicContact CG2-CB 4.28Å; V7-Q168 VanDerWaalsContact CG1-C 3.44Å; V7-Q168 WeakPolarHBondContact CG1-O 3.31Å; V7-W218 HydrophobicContact CG1-CH2 4.28Å; V7-W218 HydrophobicContact CG1-CZ2 3.6Å
8R96.5Very high80.6Confident70 Ų7056.6 Ų56.626%0.26430%0.298SS..  trans-137.2151.6-174.3-83.1170.2-176.7173.111.1110.7A6 Y10 G72 K73 S169 V170A6-R8 VanDerWaalsContact O-CG 3.31Å; A6-R8 WeakPolarHBondContact O-CG 3.46Å; A6-R8 PolarHBondContact O-N 3.32Å; A6-R8 VanDerWaalsContact O-N 3.15Å; R8-Y10 HydrophobicContact CB-CD2 4.1Å; R8-Y10 HydrophobicContact CB-CE2 3.6Å; R8-G72 PolarHBondContact NE-O 2.96Å; R8-K73 WeakPolarHBondContact CA-O 3.32Å; R8-S169 PolarHBondContact N-OG 3.14Å; R8-S169 WeakPolarHBondContact O-CA 3.29Å; R8-S169 WeakPolarHBondContact O-CB 3.47Å; R8-S169 PolarHBondContact O-OG 3.33Å; R8-V170 PolarHBondContact O-N 2.66Å
9L98.3Very high81.4Confident0 Ų056.6 Ų56.60%030%0.296CS..EExtended strand (participates in β ladder)trans-86.7121.8167.6177.663.5000107.9I11 L68 K73 L74 Q75 V170 I172 I210 F214 W218L9-I11 HydrophobicContact CD1-CD1 4.11Å; L9-I11 HydrophobicContact CD2-CD1 3.94Å; L9-I11 HydrophobicContact CD2-CG1 4.37Å; L9-I11 HydrophobicContact CG-CD1 3.88Å; L9-I11 HydrophobicContact CG-CG1 4.27Å; L9-L68 HydrophobicContact CB-CD2 4.04Å; L9-L68 HydrophobicContact CD2-CD2 3.51Å; L9-L68 HydrophobicContact CG-CD2 4.41Å; L9-K73 PolarHBondContact N-O 3.07Å; L9-L74 HydrophobicContact CB-CD1 4.26Å; L9-L74 HydrophobicContact CD2-CD1 4.05Å; L9-L74 HydrophobicContact CG-CD1 4.13Å; L9-L74 CarbonylContact O-C 3.59Å; L9-L74 WeakPolarHBondContact O-CA 3.19Å; L9-Q75 PolarHBondContact O-N 3.37Å; L9-V170 HydrophobicContact CD1-CG1 3.83Å; L9-I172 HydrophobicContact CD1-CG1 3.66Å; L9-I210 HydrophobicContact CD1-CG2 4.48Å; L9-I210 HydrophobicContact CD2-CG2 3.89Å; L9-F214 HydrophobicContact CB-CD1 4.42Å; L9-F214 HydrophobicContact CD1-CD1 4.3Å; L9-F214 HydrophobicContact CD1-CD2 4.24Å; L9-F214 HydrophobicContact CD1-CE1 4.03Å; L9-F214 HydrophobicContact CD1-CE2 3.98Å; L9-F214 HydrophobicContact CD1-CG 4.4Å; L9-F214 HydrophobicContact CD1-CZ 3.88Å; L9-F214 HydrophobicContact CD2-CB 4.31Å; L9-F214 HydrophobicContact CD2-CD2 4.06Å; L9-F214 HydrophobicContact CD2-CG 4.03Å; L9-W218 HydrophobicContact CB-CH2 3.96Å; L9-W218 HydrophobicContact CB-CZ3 4.17Å
10Y98.6Very high82.1Confident17 Ų1755.2 Ų55.27%0.06729%0.291CS..EExtended strand (participates in β ladder)trans-100.9123174.2-75.4-107000108.7R8 Q75 F77 P137 V170 V171 I172R8-Y10 HydrophobicContact CB-CD2 4.1Å; R8-Y10 HydrophobicContact CB-CE2 3.6Å; Y10-Q75 CarbonylContact C-O 3.55Å; Y10-Q75 WeakPolarHBondContact CA-O 3.33Å; Y10-Q75 HydrophobicContact CD1-CB 3.71Å; Y10-Q75 HydrophobicContact CD1-CG 3.72Å; Y10-Q75 HydrophobicContact CE1-CB 3.64Å; Y10-Q75 HydrophobicContact CE1-CG 3.52Å; Y10-Q75 HydrophobicContact CG-CB 4.19Å; Y10-F77 HydrophobicContact CD1-CD2 4.43Å; Y10-F77 AromaticContact CD1-CE2 3.99Å; Y10-F77 HydrophobicContact CD1-CE2 3.99Å; Y10-F77 HydrophobicContact CE1-CE2 4.2Å; Y10-P137 HydrophobicContact CD1-CG 4.4Å; Y10-P137 HydrophobicContact CD2-CG 3.61Å; Y10-P137 HydrophobicContact CE1-CG 3.98Å; Y10-P137 HydrophobicContact CE2-CG 3.1Å; Y10-P137 HydrophobicContact CG-CG 4.26Å; Y10-V170 PolarHBondContact N-O 3.31Å; Y10-V171 CarbonylContact O-C 3.54Å; Y10-V171 WeakPolarHBondContact O-CA 3.31Å; Y10-I172 PolarHBondContact O-N 3.15Å
11I98.8Very high82.7Confident1 Ų152.8 Ų52.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-107.4123174.4-59.3-59.3000109.3L9 L13 L63 L74 Q75 V76 F77 I172 I174 I210L9-I11 HydrophobicContact CD1-CD1 4.11Å; L9-I11 HydrophobicContact CD2-CD1 3.94Å; L9-I11 HydrophobicContact CD2-CG1 4.37Å; L9-I11 HydrophobicContact CG-CD1 3.88Å; L9-I11 HydrophobicContact CG-CG1 4.27Å; I11-L13 HydrophobicContact CG2-CD2 4.04Å; I11-L13 HydrophobicContact CG2-CG 4.34Å; I11-L63 HydrophobicContact CB-CD1 4.33Å; I11-L63 HydrophobicContact CB-CD2 4.34Å; I11-L63 HydrophobicContact CG1-CD2 3.83Å; I11-L63 HydrophobicContact CG2-CD1 3.8Å; I11-L63 HydrophobicContact CG2-CD2 4.2Å; I11-L74 HydrophobicContact CG1-CD1 3.71Å; I11-Q75 PolarHBondContact N-O 2.89Å; I11-V76 HydrophobicContact CB-CG2 4.49Å; I11-V76 WeakPolarHBondContact O-CA 3.45Å; I11-F77 PolarHBondContact O-N 2.83Å; I11-I172 WeakPolarHBondContact CA-O 3.46Å; I11-I172 HydrophobicContact CD1-CB 3.73Å; I11-I172 HydrophobicContact CD1-CG1 4.34Å; I11-I172 HydrophobicContact CD1-CG2 4.31Å; I11-I174 HydrophobicContact CG2-CD1 4.17Å; I11-I210 HydrophobicContact CD1-CG2 4.25Å
12L98.8Very high85.9Confident0 Ų046.6 Ų46.60%025%0.246CC..EExtended strand (participates in β ladder)trans-102.4112.1166.5175.259.6000109.7D14 F77 R79 V132 F136 I172 V173 I174 F189L12-D14 HydrophobicContact CD2-CB 4.48Å; L12-D14 HydrophobicContact CG-CB 4.3Å; L12-D14 PolarHBondContact O-N 3.48Å; L12-F77 WeakPolarHBondContact CA-O 3.35Å; L12-F77 HydrophobicContact CD1-CB 3.98Å; L12-R79 HydrophobicContact CD1-CB 3.91Å; L12-V132 HydrophobicContact CD1-CG2 3.98Å; L12-V132 HydrophobicContact CD2-CG1 4.04Å; L12-V132 HydrophobicContact CD2-CG2 4.23Å; L12-F136 HydrophobicContact CD2-CZ 4.11Å; L12-I172 PolarHBondContact N-O 3.35Å; L12-V173 HydrophobicContact CB-CG1 4.45Å; L12-V173 HydrophobicContact CB-CG2 4.34Å; L12-V173 HydrophobicContact CD2-CG1 4.19Å; L12-V173 HydrophobicContact CD2-CG2 4.29Å; L12-V173 HydrophobicContact CG-CG1 4.32Å; L12-V173 WeakPolarHBondContact O-CA 3.43Å; L12-I174 PolarHBondContact O-N 3.34Å; L12-F189 HydrophobicContact CD2-CE2 4.4Å; L12-F189 HydrophobicContact CD2-CZ 4.17Å
13L98.8Very high88.5Confident0 Ų041 Ų410%021%0.211CC..EExtended strand (participates in β ladder)trans-81.698.7165.8-63.9-175.1000109.1I11 T56 C59 L60 L63 F77 I78 R79 I174 A176I11-L13 HydrophobicContact CG2-CD2 4.04Å; I11-L13 HydrophobicContact CG2-CG 4.34Å; L13-T56 HydrophobicContact CD1-CG2 4.21Å; L13-C59 HydrophobicContact CD1-CB 3.59Å; L13-C59 HydrophobicContact CD2-CB 3.9Å; L13-C59 HydrophobicContact CG-CB 4.43Å; L13-L60 HydrophobicContact CD1-CD2 4.12Å; L13-L60 HydrophobicContact CD1-CG 4.21Å; L13-L63 HydrophobicContact CD1-CD1 4.12Å; L13-L63 HydrophobicContact CD2-CD1 4.23Å; L13-L63 HydrophobicContact CG-CD1 4.27Å; L13-F77 PolarHBondContact N-O 2.88Å; L13-I78 HydrophobicContact CB-CG1 4.44Å; L13-I78 HydrophobicContact CB-CG2 4.36Å; L13-I78 HydrophobicContact CD1-CG1 4.46Å; L13-I78 CarbonylContact O-C 3.49Å; L13-I78 WeakPolarHBondContact O-CA 3.37Å; L13-R79 PolarHBondContact O-N 2.73Å; L13-I174 CarbonylContact C-O 3.57Å; L13-I174 WeakPolarHBondContact CA-O 3.43Å; L13-I174 HydrophobicContact CD2-CB 4.2Å; L13-I174 HydrophobicContact CD2-CG2 4.48Å; L13-A176 HydrophobicContact CB-CB 3.95Å
14D98.4Very high90.6Very high0 Ų038.9 Ų38.90%022%0.215CC..EExtended strand (participates in β ladder)trans-93.5153.9-175.6-16938.5000113.3L12 A16 R79 V173 I174 A176 V182 T185 C186L12-D14 HydrophobicContact CD2-CB 4.48Å; L12-D14 HydrophobicContact CG-CB 4.3Å; L12-D14 PolarHBondContact O-N 3.48Å; D14-A16 PolarHBondContact O-N 3.26Å; D14-R79 CarbonylContact C-O 3.48Å; D14-R79 WeakPolarHBondContact OD1-CB 3.2Å; D14-R79 IonicContact OD1-CZ 3.16Å; D14-R79 VanDerWaalsContact OD1-CZ 3.26Å; D14-R79 IonicContact OD1-NE 2.8Å; D14-R79 PolarHBondContact OD1-NE 2.82Å; D14-R79 IonicContact OD1-NH2 2.68Å; D14-R79 PolarHBondContact OD1-NH2 3.39Å; D14-R79 IonicContact OD2-CZ 3.04Å; D14-R79 IonicContact OD2-NE 2.81Å; D14-R79 IonicContact OD2-NH2 2.64Å; D14-R79 PolarHBondContact OD2-NH2 3.13Å; D14-V173 HydrophobicContact CB-CG1 3.92Å; D14-I174 PolarHBondContact N-O 3.1Å; D14-A176 PolarHBondContact O-N 3.02Å; D14-V182 HydrophobicContact CB-CB 4.27Å; D14-V182 HydrophobicContact CB-CG1 3.97Å; D14-T185 PolarHBondContact OD2-OG1 3.42Å; D14-C186 PolarHBondContact OD2-SG 2.99Å
15Q97.8Very high92.7Very high41 Ų4135 Ų3519%0.19220%0.2CC..EExtended strand (participates in β ladder)trans56.431.7-178.1-62.6-60.6-38.400114.3S17 R79 R81 L177 V182 T185Q15-S17 PolarHBondContact O-N 3.41Å; Q15-R79 PolarHBondContact N-O 2.62Å; Q15-R81 HydrophobicContact CB-CG 4.35Å; Q15-R81 VanDerWaalsContact O-CG 3.29Å; Q15-R81 WeakPolarHBondContact O-CG 3.5Å; Q15-R81 PolarHBondContact O-NE 3.07Å; Q15-L177 HydrophobicContact CB-CB 4.16Å; Q15-L177 HydrophobicContact CB-CD2 3.71Å; Q15-L177 HydrophobicContact CG-CD2 4.2Å; Q15-V182 HydrophobicContact CB-CG1 4.31Å; Q15-V182 HydrophobicContact CG-CG1 4.02Å; Q15-T185 HydrophobicContact CG-CG2 4.17Å
16A98.5Very high94Very high0 Ų031.4 Ų31.40%019%0.189CC..EExtended strand (participates in β ladder)trans-59.9130.1178.400000111.7D14 L18 T56 I78 R79 T80 R81 A176D14-A16 PolarHBondContact O-N 3.26Å; A16-L18 VanDerWaalsContact C-N 3.27Å; A16-L18 HydrophobicContact CB-CD1 4.42Å; A16-L18 HydrophobicContact CB-CG 4.28Å; A16-L18 PolarHBondContact O-N 3.47Å; A16-T56 HydrophobicContact CB-CG2 4.36Å; A16-T56 WeakPolarHBondContact CB-OG1 3.03Å; A16-I78 HydrophobicContact CB-CG2 3.34Å; A16-R79 PolarHBondContact N-O 3.11Å; A16-T80 CarbonylContact O-C 3.56Å; A16-T80 VanDerWaalsContact O-CA 3.24Å; A16-T80 WeakPolarHBondContact O-CA 3.35Å; A16-T80 WeakPolarHBondContact O-CB 3.49Å; A16-R81 PolarHBondContact O-N 2.91Å; A16-A176 WeakPolarHBondContact CA-O 3.47Å; A16-A176 HydrophobicContact CB-CB 4.13Å
17S97.4Very high94Very high10 Ų1038.9 Ų38.97%0.0721%0.214CC..  trans-81.669.1177.2178.90000111.2Q15 V51 R52 P53Q15-S17 PolarHBondContact O-N 3.41Å; S17-V51 WeakPolarHBondContact OG-CA 3.39Å; S17-R52 PolarHBondContact OG-N 2.83Å; S17-R52 VanDerWaalsContact OG-N 3.15Å; S17-P53 WeakPolarHBondContact O-CA 3.17Å; S17-P53 WeakPolarHBondContact O-CB 3.45Å
18L97.9Very high94Very high6 Ų641.9 Ų41.93%0.03123%0.226CC..  trans-120104.3177.1-57.3178000110A16 L31 P53 T56 I78 T80 I86 F101 M105A16-L18 VanDerWaalsContact C-N 3.27Å; A16-L18 HydrophobicContact CB-CD1 4.42Å; A16-L18 HydrophobicContact CB-CG 4.28Å; A16-L18 PolarHBondContact O-N 3.47Å; L18-L31 HydrophobicContact CD2-CD2 3.91Å; L18-P53 HydrophobicContact CD2-CB 4.06Å; L18-T56 HydrophobicContact CD1-CG2 4.06Å; L18-I78 HydrophobicContact CD1-CD1 4.48Å; L18-I78 HydrophobicContact CD1-CG2 4.16Å; L18-T80 HydrophobicContact CB-CG2 3.89Å; L18-T80 HydrophobicContact CD1-CG2 4.4Å; L18-I86 HydrophobicContact CD1-CD1 4.26Å; L18-F101 HydrophobicContact CD2-CE1 4.11Å; L18-F101 HydrophobicContact CD2-CZ 4.09Å; L18-M105 HydrophobicContact CD1-SD 3.97Å; L18-M105 HydrophobicContact CD2-CG 4.26Å
19E96.1Very high93.9Very high57 Ų5743.3 Ų43.327%0.26623%0.234SC..  trans-139.2135.2179.5175.3174.8167.700109.8V21 L31 L32 K82E19-V21 HydrophobicContact CG-CG1 4.42Å; E19-L31 CarbonylContact O-C 3.59Å; E19-L31 WeakPolarHBondContact O-CA 3.43Å; E19-L31 WeakPolarHBondContact O-CD1 3.44Å; E19-L32 HydrophobicContact CB-CB 4.16Å; E19-L32 HydrophobicContact CB-CD2 4.44Å; E19-L32 WeakPolarHBondContact O-CB 3.35Å; E19-L32 PolarHBondContact O-N 3.24Å; E19-K82 HydrophobicContact CG-CD 4.37Å; E19-K82 IonicContact OE1-NZ 2.83Å; E19-K82 PolarHBondContact OE1-NZ 3.21Å; E19-K82 WeakPolarHBondContact OE2-CE 3.19Å; E19-K82 IonicContact OE2-NZ 3.09Å; E19-K82 PolarHBondContact OE2-NZ 3.13Å; E19-K82 VanDerWaalsContact OE2-NZ 3.16Å
20S95.4Very high93.8Very high28 Ų2845 Ų4520%0.19624%0.242CC..EExtended strand (participates in β ladder)trans-88.1133.8172.5-177.60000110.8Q30 H110S20-Q30 WeakPolarHBondContact CA-O 3.22Å; S20-H110 PolarHBondContact OG-NE2 3.49Å
21V94.6Very high93.7Very high6 Ų644.5 Ų44.54%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-127.9150.2172.8-69.90000111.3E19 F29 Q30 L32E19-V21 HydrophobicContact CG-CG1 4.42Å; V21-F29 CarbonylContact O-C 3.58Å; V21-F29 WeakPolarHBondContact O-CA 3.45Å; V21-Q30 PolarHBondContact N-O 3.31Å; V21-Q30 PolarHBondContact O-N 3.36Å; V21-Q30 VanDerWaalsContact O-O 3.14Å; V21-L32 HydrophobicContact CB-CD1 4.38Å; V21-L32 HydrophobicContact CG1-CB 4.25Å; V21-L32 HydrophobicContact CG1-CD1 3.71Å; V21-L32 HydrophobicContact CG1-CG 4.46Å; V21-L32 HydrophobicContact CG2-CB 4.24Å; V21-L32 HydrophobicContact CG2-CD1 3.85Å
22K92Very high93.5Very high102 Ų10245.2 Ų45.244%0.44324%0.244SC..EExtended strand (participates in β ladder)trans-71.7129174.2-162.7168.6-177.7175.80109.9G26 F29 R40K22-G26 VanDerWaalsContact CE-C 3.47Å; K22-G26 WeakPolarHBondContact CE-O 3.4Å; K22-G26 PolarHBondContact NZ-O 3.37Å; K22-F29 HydrophobicContact CB-CD1 4.32Å; K22-F29 HydrophobicContact CB-CE1 4.09Å; K22-F29 HydrophobicContact CG-CE1 4.43Å; K22-R40 PolarHBondContact O-NH1 2.89Å
23A88.4Confident93.3Very high9 Ų945.8 Ų45.87%0.07425%0.247CC..  trans-64.8162.5177.700000111.8S25 G26 E28 Q30A23-S25 PolarHBondContact O-N 3.22Å; A23-G26 PolarHBondContact O-N 3.45Å; A23-E28 HydrophobicContact CB-CG 3.46Å; A23-E28 VanDerWaalsContact CB-CG 3.46Å; A23-E28 PolarHBondContact N-O 3.33Å; A23-Q30 HydrophobicContact CB-CG 4.12Å
24S83.4Confident92.9Very high129 Ų12947 Ų4790%0.90226%0.255SS*.THydrogen-bonded Turntrans-58.2-28.8177.6-530000113G26S24-G26 PolarHBondContact O-N 3.34Å
25S84.3Confident92.5Very high77 Ų7753.7 Ų53.754%0.53829%0.291SS..THydrogen-bonded Turntrans-67.9-16.2174.166.40000113.8A23 K27A23-S25 PolarHBondContact O-N 3.22Å; S25-K27 PolarHBondContact O-N 3.34Å; S25-K27 VanDerWaalsContact O-N 3.13Å
26G83.2Confident92.1Very high34 Ų3458 Ų5835%0.35131%0.306SS..SBendtrans70.9-1.4-178.800000115.4K22 A23 S24K22-G26 VanDerWaalsContact CE-C 3.47Å; K22-G26 WeakPolarHBondContact CE-O 3.4Å; K22-G26 PolarHBondContact NZ-O 3.37Å; A23-G26 PolarHBondContact O-N 3.45Å; S24-G26 PolarHBondContact O-N 3.34Å
27K84Confident91.9Very high196 Ų19658.5 Ų58.585%0.85231%0.308SS*.SBendtrans-98.8-26.4-176.1-67.7-175.5180-179.20113.8S25S25-K27 PolarHBondContact O-N 3.34Å; S25-K27 VanDerWaalsContact O-N 3.13Å
28E92.1Very high91.7Very high97 Ų9763.9 Ų63.945%0.45333%0.33SS..  trans-124.7159.5-173.565.2-177.2-17500111.7A23 Q30A23-E28 HydrophobicContact CB-CG 3.46Å; A23-E28 VanDerWaalsContact CB-CG 3.46Å; A23-E28 PolarHBondContact N-O 3.33Å; E28-Q30 HydrophobicContact CG-CG 4.5Å; E28-Q30 PolarHBondContact OE1-NE2 2.81Å
29F95.1Very high91.4Very high100 Ų10069.1 Ų69.144%0.43936%0.358SS..EExtended strand (participates in β ladder)trans-105.9138.9170.3-72.5-90.3000109.3V21 K22 V106 H110V21-F29 CarbonylContact O-C 3.58Å; V21-F29 WeakPolarHBondContact O-CA 3.45Å; K22-F29 HydrophobicContact CB-CD1 4.32Å; K22-F29 HydrophobicContact CB-CE1 4.09Å; K22-F29 HydrophobicContact CG-CE1 4.43Å; F29-V106 HydrophobicContact CB-CG1 3.69Å; F29-H110 AromaticContact CD1-CE1 3.47Å; F29-H110 VanDerWaalsContact CD1-CE1 3.47Å; F29-H110 WeakPolarHBondContact CD1-CE1 3.44Å; F29-H110 AromaticContact CD1-NE2 3.52Å; F29-H110 AromaticContact CD2-CE1 3.55Å; F29-H110 AromaticContact CE1-CE1 3.62Å; F29-H110 AromaticContact CE2-CE1 3.69Å; F29-H110 AromaticContact CG-CE1 3.43Å; F29-H110 VanDerWaalsContact CG-CE1 3.43Å; F29-H110 WeakPolarHBondContact CG-CE1 3.28Å; F29-H110 AromaticContact CG-NE2 3.53Å; F29-H110 AromaticContact CZ-CE1 3.73Å
30Q95.8Very high91.1Very high36 Ų3672.1 Ų72.117%0.16837%0.367CS..EExtended strand (participates in β ladder)trans-125159.7177-64.3-175.67.400109.3S20 V21 A23 E28 H37S20-Q30 WeakPolarHBondContact CA-O 3.22Å; V21-Q30 PolarHBondContact N-O 3.31Å; V21-Q30 PolarHBondContact O-N 3.36Å; V21-Q30 VanDerWaalsContact O-O 3.14Å; A23-Q30 HydrophobicContact CB-CG 4.12Å; E28-Q30 HydrophobicContact CG-CG 4.5Å; E28-Q30 PolarHBondContact OE1-NE2 2.81Å; Q30-H37 PolarHBondContact OE1-CE1 2.93Å; Q30-H37 VanDerWaalsContact OE1-CE1 3.31Å; Q30-H37 PolarHBondContact OE1-NE2 3.15Å
31L96.6Very high90.9Very high6 Ų670.9 Ų70.93%0.03136%0.358CS..EExtended strand (participates in β ladder)trans-76.9135.3170.5-159.772.5000107.9L18 E19 N33 H37 P53 C102 M105 V106 L109L18-L31 HydrophobicContact CD2-CD2 3.91Å; E19-L31 CarbonylContact O-C 3.59Å; E19-L31 WeakPolarHBondContact O-CA 3.43Å; E19-L31 WeakPolarHBondContact O-CD1 3.44Å; L31-N33 PolarHBondContact O-N 3.21Å; L31-N33 VanDerWaalsContact O-N 3.16Å; L31-H37 PolarHBondContact O-CE1 2.94Å; L31-H37 VanDerWaalsContact O-CE1 3.3Å; L31-P53 HydrophobicContact CD2-CB 3.58Å; L31-P53 HydrophobicContact CD2-CG 4.33Å; L31-P53 HydrophobicContact CG-CB 4.48Å; L31-C102 HydrophobicContact CB-CB 3.93Å; L31-C102 HydrophobicContact CD2-CB 4.31Å; L31-M105 HydrophobicContact CD1-CB 3.87Å; L31-M105 HydrophobicContact CD2-CB 4.15Å; L31-V106 HydrophobicContact CB-CG2 3.95Å; L31-V106 HydrophobicContact CD1-CG2 4.3Å; L31-L109 HydrophobicContact CD1-CD1 4.24Å
32L95.8Very high90.8Very high15 Ų1575 Ų758%0.07938%0.38CS..  trans-58.1121.2178.9-171.569.2000109.1E19 V21 H37 I41 V51E19-L32 HydrophobicContact CB-CB 4.16Å; E19-L32 HydrophobicContact CB-CD2 4.44Å; E19-L32 WeakPolarHBondContact O-CB 3.35Å; E19-L32 PolarHBondContact O-N 3.24Å; V21-L32 HydrophobicContact CB-CD1 4.38Å; V21-L32 HydrophobicContact CG1-CB 4.25Å; V21-L32 HydrophobicContact CG1-CD1 3.71Å; V21-L32 HydrophobicContact CG1-CG 4.46Å; V21-L32 HydrophobicContact CG2-CB 4.24Å; V21-L32 HydrophobicContact CG2-CD1 3.85Å; L32-H37 HydrophobicContact CD1-CB 3.92Å; L32-I41 HydrophobicContact CD1-CD1 4.16Å; L32-I41 HydrophobicContact CD1-CG1 3.69Å; L32-I41 HydrophobicContact CD2-CG1 4.31Å; L32-I41 HydrophobicContact CG-CD1 4.3Å; L32-I41 HydrophobicContact CG-CG1 4.12Å; L32-V51 HydrophobicContact CB-CG1 4.36Å; L32-V51 HydrophobicContact CD2-CG1 3.99Å; L32-V51 HydrophobicContact CD2-CG2 4.14Å; L32-V51 HydrophobicContact CG-CG1 3.79Å
33N92.7Very high90.8Very high12 Ų1279 Ų796%0.06440%0.397CS..  trans-144.6132.1-175.8174.5-14.5000108.4L31 D35 R36 H37L31-N33 PolarHBondContact O-N 3.21Å; L31-N33 VanDerWaalsContact O-N 3.16Å; N33-D35 VanDerWaalsContact C-N 3.27Å; N33-D35 PolarHBondContact O-N 3.34Å; N33-D35 PolarHBondContact OD1-N 2.8Å; N33-D35 PolarHBondContact OD1-OD2 3.27Å; N33-R36 PolarHBondContact O-N 3.48Å; N33-H37 PolarHBondContact N-ND1 3.36Å; N33-H37 VanDerWaalsContact O-CB 3.3Å; N33-H37 WeakPolarHBondContact O-CB 3.19Å; N33-H37 PolarHBondContact O-N 3.06Å; N33-H37 PolarHBondContact O-ND1 3.44Å
34P91.5Very high91Very high26 Ų2681.9 Ų81.917%0.16942%0.421CS..Hα-helixtrans-52.3-38176.123.1-36.4000114.4R36 K38 I41 V48 V51P34-R36 VanDerWaalsContact C-N 3.3Å; P34-R36 PolarHBondContact O-N 2.91Å; P34-K38 WeakPolarHBondContact O-CB 3.14Å; P34-K38 PolarHBondContact O-N 3.11Å; P34-I41 HydrophobicContact CB-CD1 4.48Å; P34-V48 HydrophobicContact CB-CG1 3.56Å; P34-V51 WeakPolarHBondContact CD-O 3.42Å
35D89.7Confident91.4Very high141 Ų14179.1 Ų79.175%0.75441%0.412SS*.Hα-helixtrans-65.5-33.5-174.9-59.4-32.9000112.8N33N33-D35 VanDerWaalsContact C-N 3.27Å; N33-D35 PolarHBondContact O-N 3.34Å; N33-D35 PolarHBondContact OD1-N 2.8Å; N33-D35 PolarHBondContact OD1-OD2 3.27Å
36R90Very high91.7Very high132 Ų13278.2 Ų78.250%0.49840%0.403SS..Hα-helixtrans-105.3-21.1-175.6-60.2-174.1-172.4-163.83.7113.4N33 P34 D99N33-R36 PolarHBondContact O-N 3.48Å; P34-R36 VanDerWaalsContact C-N 3.3Å; P34-R36 PolarHBondContact O-N 2.91Å; R36-D99 IonicContact NH2-OD1 2.62Å; R36-D99 PolarHBondContact NH2-OD1 2.85Å; R36-D99 VanDerWaalsContact NH2-OD1 3.15Å; R36-D99 IonicContact NH2-OD2 3.15Å
37H93.7Very high92.2Very high10 Ų1081.1 Ų81.15%0.04641%0.411CS..Hα-helixtrans-129.417.9-166.5-50.5105.2000114Q30 L31 L32 N33 D39 R40 I41Q30-H37 PolarHBondContact OE1-CE1 2.93Å; Q30-H37 VanDerWaalsContact OE1-CE1 3.31Å; Q30-H37 PolarHBondContact OE1-NE2 3.15Å; L31-H37 PolarHBondContact O-CE1 2.94Å; L31-H37 VanDerWaalsContact O-CE1 3.3Å; L32-H37 HydrophobicContact CD1-CB 3.92Å; N33-H37 PolarHBondContact N-ND1 3.36Å; N33-H37 VanDerWaalsContact O-CB 3.3Å; N33-H37 WeakPolarHBondContact O-CB 3.19Å; N33-H37 PolarHBondContact O-N 3.06Å; N33-H37 PolarHBondContact O-ND1 3.44Å; H37-D39 PolarHBondContact O-N 3.2Å; H37-R40 WeakPolarHBondContact O-CB 3.43Å; H37-R40 PolarHBondContact O-N 3.04Å; H37-I41 HydrophobicContact CB-CD1 4.24Å; H37-I41 HydrophobicContact CB-CG1 4.42Å; H37-I41 WeakPolarHBondContact O-CG1 3.26Å; H37-I41 PolarHBondContact O-N 3.28Å
38K92.7Very high92.7Very high122 Ų12273.2 Ų73.253%0.5338%0.379SS..Hα-helixtrans-45.8-53.4-176.7-170.1176.5179.6-179.80113.7P34 R40 I41 L42 V48P34-K38 WeakPolarHBondContact O-CB 3.14Å; P34-K38 PolarHBondContact O-N 3.11Å; K38-R40 VanDerWaalsContact C-N 3.27Å; K38-R40 PolarHBondContact O-N 3.12Å; K38-I41 WeakPolarHBondContact O-CB 3.26Å; K38-I41 PolarHBondContact O-N 3.27Å; K38-L42 HydrophobicContact CG-CD1 4.16Å; K38-L42 WeakPolarHBondContact O-CG 3.31Å; K38-L42 PolarHBondContact O-N 3.46Å; K38-V48 HydrophobicContact CG-CG1 4.43Å; K38-V48 HydrophobicContact CG-CG2 4.26Å
39D91.6Very high92.8Very high117 Ų11770.8 Ų70.863%0.62638%0.375SS*.Hα-helixtrans-63-36.1-177.2-61.5-26.8000112.5H37 K43H37-D39 PolarHBondContact O-N 3.2Å; D39-K43 WeakPolarHBondContact O-CB 3.08Å; D39-K43 VanDerWaalsContact O-CG 3.24Å; D39-K43 WeakPolarHBondContact O-CG 3.48Å; D39-K43 PolarHBondContact O-N 2.81Å
40R89.7Confident92.8Very high119 Ų11967.2 Ų67.245%0.44936%0.362SS..Hα-helixtrans-70.6-39.7178.3-172.6176.7-178.6158.93111.4K22 H37 K38 K43 A44K22-R40 PolarHBondContact O-NH1 2.89Å; H37-R40 WeakPolarHBondContact O-CB 3.43Å; H37-R40 PolarHBondContact O-N 3.04Å; K38-R40 VanDerWaalsContact C-N 3.27Å; K38-R40 PolarHBondContact O-N 3.12Å; R40-K43 PolarHBondContact O-N 3.16Å; R40-A44 WeakPolarHBondContact O-CB 3.45Å; R40-A44 PolarHBondContact O-N 3.04Å
41I91.6Very high92.8Very high2 Ų265.6 Ų65.61%0.0135%0.354CS..Hα-helixtrans-61-48.2176.1-65.8162.4000109.6L32 P34 H37 K38 K43 A44 G45 V46 V48 V51L32-I41 HydrophobicContact CD1-CD1 4.16Å; L32-I41 HydrophobicContact CD1-CG1 3.69Å; L32-I41 HydrophobicContact CD2-CG1 4.31Å; L32-I41 HydrophobicContact CG-CD1 4.3Å; L32-I41 HydrophobicContact CG-CG1 4.12Å; P34-I41 HydrophobicContact CB-CD1 4.48Å; H37-I41 HydrophobicContact CB-CD1 4.24Å; H37-I41 HydrophobicContact CB-CG1 4.42Å; H37-I41 WeakPolarHBondContact O-CG1 3.26Å; H37-I41 PolarHBondContact O-N 3.28Å; K38-I41 WeakPolarHBondContact O-CB 3.26Å; K38-I41 PolarHBondContact O-N 3.27Å; I41-K43 PolarHBondContact O-N 3.05Å; I41-A44 PolarHBondContact O-N 3.28Å; I41-A44 VanDerWaalsContact O-N 3.16Å; I41-G45 PolarHBondContact O-N 3.34Å; I41-V46 HydrophobicContact CG2-CB 3.92Å; I41-V46 HydrophobicContact CG2-CG1 4.02Å; I41-V46 WeakPolarHBondContact CG2-O 3.48Å; I41-V46 PolarHBondContact O-N 2.93Å; I41-V46 VanDerWaalsContact O-N 3.17Å; I41-V48 HydrophobicContact CB-CG2 4.29Å; I41-V48 HydrophobicContact CG2-CB 4.37Å; I41-V48 HydrophobicContact CG2-CG2 3.82Å; I41-V51 HydrophobicContact CD1-CB 4.19Å; I41-V51 HydrophobicContact CD1-CG1 4.13Å; I41-V51 HydrophobicContact CD1-CG2 4.02Å; I41-V51 HydrophobicContact CG1-CG2 4.25Å; I41-V51 HydrophobicContact CG2-CG2 3.92Å
42L93Very high92.9Very high94 Ų9469.8 Ų69.849%0.49237%0.37SS..Hα-helixtrans-61.4-44.4176.7-68.9172.7000112.2K38 A44 G45 V48K38-L42 HydrophobicContact CG-CD1 4.16Å; K38-L42 WeakPolarHBondContact O-CG 3.31Å; K38-L42 PolarHBondContact O-N 3.46Å; L42-A44 PolarHBondContact O-N 3.2Å; L42-G45 PolarHBondContact O-N 3.06Å; L42-V48 HydrophobicContact CD2-CG2 3.63Å; L42-V48 HydrophobicContact CG-CG2 3.8Å
43K92.6Very high93Very high184 Ų18469.1 Ų69.180%0.837%0.367SS*.Hα-helixtrans-62.2-29.1176.2-78.3174.9-178.6179.50113.4D39 R40 I41 G45D39-K43 WeakPolarHBondContact O-CB 3.08Å; D39-K43 VanDerWaalsContact O-CG 3.24Å; D39-K43 WeakPolarHBondContact O-CG 3.48Å; D39-K43 PolarHBondContact O-N 2.81Å; R40-K43 PolarHBondContact O-N 3.16Å; I41-K43 PolarHBondContact O-N 3.05Å; K43-G45 PolarHBondContact O-N 3.06Å
44A91.2Very high93.2Very high71 Ų7170.1 Ų70.159%0.58737%0.372SS*.THydrogen-bonded Turntrans-80.70.1175.600000113.2R40 I41 L42 V46R40-A44 WeakPolarHBondContact O-CB 3.45Å; R40-A44 PolarHBondContact O-N 3.04Å; I41-A44 PolarHBondContact O-N 3.28Å; I41-A44 VanDerWaalsContact O-N 3.16Å; L42-A44 PolarHBondContact O-N 3.2Å; A44-V46 HydrophobicContact CB-CG2 4.18Å; A44-V46 PolarHBondContact O-N 2.92Å
45G92.8Very high93.5Very high70 Ų7069.8 Ų69.872%0.72237%0.368SS*.THydrogen-bonded Turntrans69.618-176.700000113.6I41 L42 K43I41-G45 PolarHBondContact O-N 3.34Å; L42-G45 PolarHBondContact O-N 3.06Å; K43-G45 PolarHBondContact O-N 3.06Å
46V91.3Very high94Very high58 Ų5863.1 Ų63.135%0.35233%0.333SS..  trans-93.6136.8179.21770000109I41 A44 V48 V51I41-V46 HydrophobicContact CG2-CB 3.92Å; I41-V46 HydrophobicContact CG2-CG1 4.02Å; I41-V46 WeakPolarHBondContact CG2-O 3.48Å; I41-V46 PolarHBondContact O-N 2.93Å; I41-V46 VanDerWaalsContact O-N 3.17Å; A44-V46 HydrophobicContact CB-CG2 4.18Å; A44-V46 PolarHBondContact O-N 2.92Å; V46-V48 PolarHBondContact O-N 3.4Å; V46-V51 HydrophobicContact CG1-CG2 4.01Å
47D93.2Very high94.4Very high96 Ų9657.3 Ų57.351%0.51331%0.311SS..  trans-68.7120.2172174.812.3000110.3A49 T50D47-A49 PolarHBondContact O-N 3.44Å; D47-A49 WeakPolarHBondContact OD1-CB 3.24Å; D47-A49 PolarHBondContact OD1-N 3.09Å; D47-T50 HydrophobicContact CB-CG2 3.81Å; D47-T50 WeakPolarHBondContact O-CB 3.4Å; D47-T50 PolarHBondContact O-N 3Å; D47-T50 PolarHBondContact O-OG1 3.39Å
48V94.5Very high94.6Very high30 Ų3061.2 Ų61.218%0.18233%0.33CS..G310 helixtrans-54.1-38.2178.8-177.80000111.6P34 K38 I41 L42 V46 T50 V51P34-V48 HydrophobicContact CB-CG1 3.56Å; K38-V48 HydrophobicContact CG-CG1 4.43Å; K38-V48 HydrophobicContact CG-CG2 4.26Å; I41-V48 HydrophobicContact CB-CG2 4.29Å; I41-V48 HydrophobicContact CG2-CB 4.37Å; I41-V48 HydrophobicContact CG2-CG2 3.82Å; L42-V48 HydrophobicContact CD2-CG2 3.63Å; L42-V48 HydrophobicContact CG-CG2 3.8Å; V46-V48 PolarHBondContact O-N 3.4Å; V48-T50 PolarHBondContact O-N 3.31Å; V48-T50 VanDerWaalsContact O-N 3.14Å; V48-V51 PolarHBondContact O-N 2.83Å; V48-V51 VanDerWaalsContact O-N 3.15Å
49A94.3Very high94.9Very high45 Ų4555.4 Ų55.437%0.37230%0.304SS..G310 helixtrans-64.9-19.7-179.300000112.8D47 A178D47-A49 PolarHBondContact O-N 3.44Å; D47-A49 WeakPolarHBondContact OD1-CB 3.24Å; D47-A49 PolarHBondContact OD1-N 3.09Å; A49-A178 WeakPolarHBondContact O-CB 3.39Å
50T94.4Very high95.3Very high25 Ų2549.9 Ų49.915%0.15327%0.274CS..G310 helixtrans-86.9-16.4-179.677.50000113D47 V48 R52 R81D47-T50 HydrophobicContact CB-CG2 3.81Å; D47-T50 WeakPolarHBondContact O-CB 3.4Å; D47-T50 PolarHBondContact O-N 3Å; D47-T50 PolarHBondContact O-OG1 3.39Å; V48-T50 PolarHBondContact O-N 3.31Å; V48-T50 VanDerWaalsContact O-N 3.14Å; T50-R52 PolarHBondContact O-N 3.06Å; T50-R81 PolarHBondContact O-NH1 3.06Å; T50-R81 VanDerWaalsContact O-NH1 3.09Å; T50-R81 PolarHBondContact O-NH2 3.31Å; T50-R81 PolarHBondContact OG1-NH1 2.88Å
51V96.8Very high95.7Very high2 Ų245.4 Ų45.41%0.01226%0.259CS..  trans-84.193.7-179-178.20000109.5S17 L32 P34 I41 V46 V48S17-V51 WeakPolarHBondContact OG-CA 3.39Å; L32-V51 HydrophobicContact CB-CG1 4.36Å; L32-V51 HydrophobicContact CD2-CG1 3.99Å; L32-V51 HydrophobicContact CD2-CG2 4.14Å; L32-V51 HydrophobicContact CG-CG1 3.79Å; P34-V51 WeakPolarHBondContact CD-O 3.42Å; I41-V51 HydrophobicContact CD1-CB 4.19Å; I41-V51 HydrophobicContact CD1-CG1 4.13Å; I41-V51 HydrophobicContact CD1-CG2 4.02Å; I41-V51 HydrophobicContact CG1-CG2 4.25Å; I41-V51 HydrophobicContact CG2-CG2 3.92Å; V46-V51 HydrophobicContact CG1-CG2 4.01Å; V48-V51 PolarHBondContact O-N 2.83Å; V48-V51 VanDerWaalsContact O-N 3.15Å
52R97Very high96Very high95 Ų9549.1 Ų49.136%0.35828%0.278SS..  trans-136.267.3-172-68.8-64.4-61.5-81.2-2.2113.1S17 T50 D54 I55 A178S17-R52 PolarHBondContact OG-N 2.83Å; S17-R52 VanDerWaalsContact OG-N 3.15Å; T50-R52 PolarHBondContact O-N 3.06Å; R52-D54 VanDerWaalsContact C-OD1 3.27Å; R52-D54 VanDerWaalsContact CA-OD1 3.3Å; R52-D54 WeakPolarHBondContact CA-OD1 3.42Å; R52-D54 WeakPolarHBondContact CB-OD1 3.44Å; R52-D54 WeakPolarHBondContact CD-OD1 3.32Å; R52-D54 IonicContact CZ-OD1 2.8Å; R52-D54 IonicContact CZ-OD2 3.18Å; R52-D54 IonicContact NE-OD1 3.72Å; R52-D54 PolarHBondContact NE-OD1 3.36Å; R52-D54 IonicContact NE-OD2 3.84Å; R52-D54 PolarHBondContact NE-OD2 2.97Å; R52-D54 IonicContact NH2-OD1 3.74Å; R52-D54 IonicContact NH2-OD2 3.34Å; R52-D54 PolarHBondContact NH2-OD2 3.22Å; R52-D54 PolarHBondContact O-N 2.85Å; R52-I55 HydrophobicContact CB-CD1 3.56Å; R52-I55 HydrophobicContact CB-CG1 3.93Å; R52-I55 HydrophobicContact CG-CD1 4.23Å; R52-I55 PolarHBondContact O-N 3.1Å; R52-A178 HydrophobicContact CB-CB 4.18Å; R52-A178 HydrophobicContact CG-CB 3.68Å
53P97.7Very high96.3Very high1 Ų144.7 Ų44.71%0.00625%0.254CS..Hα-helixtrans-57.8-26.2174.524.3-37.2000114S17 L18 L31 I55 T56 H57 F98S17-P53 WeakPolarHBondContact O-CA 3.17Å; S17-P53 WeakPolarHBondContact O-CB 3.45Å; L18-P53 HydrophobicContact CD2-CB 4.06Å; L31-P53 HydrophobicContact CD2-CB 3.58Å; L31-P53 HydrophobicContact CD2-CG 4.33Å; L31-P53 HydrophobicContact CG-CB 4.48Å; P53-I55 VanDerWaalsContact C-N 3.27Å; P53-I55 PolarHBondContact O-N 3.12Å; P53-T56 PolarHBondContact O-N 3.41Å; P53-H57 PolarHBondContact O-N 3.08Å; P53-F98 HydrophobicContact CB-CE2 4.24Å; P53-F98 HydrophobicContact CB-CZ 4.23Å; P53-F98 HydrophobicContact CG-CE2 4.2Å; P53-F98 HydrophobicContact CG-CZ 3.74Å
54D98Very high96.6Very high32 Ų3236.6 Ų36.617%0.17122%0.22CC..Hα-helixtrans-62.3-30.1178.461.9-62.1000113.1R52 H57 Q58 F98R52-D54 VanDerWaalsContact C-OD1 3.27Å; R52-D54 VanDerWaalsContact CA-OD1 3.3Å; R52-D54 WeakPolarHBondContact CA-OD1 3.42Å; R52-D54 WeakPolarHBondContact CB-OD1 3.44Å; R52-D54 WeakPolarHBondContact CD-OD1 3.32Å; R52-D54 IonicContact CZ-OD1 2.8Å; R52-D54 IonicContact CZ-OD2 3.18Å; R52-D54 IonicContact NE-OD1 3.72Å; R52-D54 PolarHBondContact NE-OD1 3.36Å; R52-D54 IonicContact NE-OD2 3.84Å; R52-D54 PolarHBondContact NE-OD2 2.97Å; R52-D54 IonicContact NH2-OD1 3.74Å; R52-D54 IonicContact NH2-OD2 3.34Å; R52-D54 PolarHBondContact NH2-OD2 3.22Å; R52-D54 PolarHBondContact O-N 2.85Å; D54-H57 WeakPolarHBondContact O-CB 3.31Å; D54-H57 PolarHBondContact O-N 3.47Å; D54-Q58 WeakPolarHBondContact O-CG 3.35Å; D54-Q58 PolarHBondContact O-N 2.83Å; D54-F98 HydrophobicContact CB-CD2 4.2Å; D54-F98 HydrophobicContact CB-CE2 3.84Å; D54-F98 HydrophobicContact CB-CZ 4.32Å
55I98.4Very high96.9Very high20 Ų2036.2 Ų36.210%0.10321%0.208CC..Hα-helixtrans-62.3-47.3176-65.4173.9000110.2R52 P53 H57 Q58 C59 L177 A178 A203R52-I55 HydrophobicContact CB-CD1 3.56Å; R52-I55 HydrophobicContact CB-CG1 3.93Å; R52-I55 HydrophobicContact CG-CD1 4.23Å; R52-I55 PolarHBondContact O-N 3.1Å; P53-I55 VanDerWaalsContact C-N 3.27Å; P53-I55 PolarHBondContact O-N 3.12Å; I55-H57 VanDerWaalsContact C-N 3.31Å; I55-H57 PolarHBondContact O-N 3.49Å; I55-Q58 PolarHBondContact O-N 3.45Å; I55-C59 PolarHBondContact O-N 2.86Å; I55-C59 PolarHBondContact O-SG 2.83Å; I55-L177 WeakPolarHBondContact CD1-O 3.44Å; I55-A178 HydrophobicContact CD1-CB 4.23Å; I55-A203 HydrophobicContact CG2-CB 3.78Å
56T98.8Very high97.1Very high0 Ų033.3 Ų33.30%018%0.177CC..Hα-helixtrans-64.6-40.4178-56.20000110.7L13 A16 L18 P53 C59 L60 I78L13-T56 HydrophobicContact CD1-CG2 4.21Å; A16-T56 HydrophobicContact CB-CG2 4.36Å; A16-T56 WeakPolarHBondContact CB-OG1 3.03Å; L18-T56 HydrophobicContact CD1-CG2 4.06Å; P53-T56 PolarHBondContact O-N 3.41Å; T56-C59 PolarHBondContact O-N 2.95Å; T56-L60 HydrophobicContact CG2-CD1 4.04Å; T56-L60 HydrophobicContact CG2-CG 4.35Å; T56-L60 VanDerWaalsContact O-CG 3.32Å; T56-L60 WeakPolarHBondContact O-CG 3.01Å; T56-L60 PolarHBondContact O-N 2.79Å; T56-I78 HydrophobicContact CG2-CD1 4.07Å; T56-I78 HydrophobicContact CG2-CG2 4.19Å
57H98.7Very high97.4Very high11 Ų1132.4 Ų32.45%0.05117%0.172CC..Hα-helixtrans-55.9-53.9175.8180-138.9000111.6P53 D54 I55 C59 L60 L61 P95 R96 F98 F101P53-H57 PolarHBondContact O-N 3.08Å; D54-H57 WeakPolarHBondContact O-CB 3.31Å; D54-H57 PolarHBondContact O-N 3.47Å; I55-H57 VanDerWaalsContact C-N 3.31Å; I55-H57 PolarHBondContact O-N 3.49Å; H57-C59 PolarHBondContact O-N 2.84Å; H57-L60 PolarHBondContact O-N 2.88Å; H57-L61 WeakPolarHBondContact O-CG 3.34Å; H57-L61 PolarHBondContact O-N 2.85Å; H57-P95 PolarHBondContact NE2-O 3.32Å; H57-R96 PolarHBondContact CE1-O 2.85Å; H57-R96 VanDerWaalsContact CE1-O 3.31Å; H57-F98 HydrophobicContact CB-CD2 4.22Å; H57-F98 AromaticContact ND1-CD2 3.67Å; H57-F101 HydrophobicContact CB-CD1 3.66Å; H57-F101 HydrophobicContact CB-CD2 4.44Å; H57-F101 HydrophobicContact CB-CE1 3.67Å; H57-F101 HydrophobicContact CB-CE2 4.44Å; H57-F101 HydrophobicContact CB-CG 4.05Å; H57-F101 HydrophobicContact CB-CZ 4.06Å; H57-F101 AromaticContact CD2-CD1 3.97Å; H57-F101 AromaticContact CD2-CD2 3.66Å; H57-F101 AromaticContact CD2-CG 3.45Å; H57-F101 VanDerWaalsContact CD2-CG 3.45Å; H57-F101 WeakPolarHBondContact CD2-CG 3.47Å; H57-F101 AromaticContact CG-CD1 3.83Å; H57-F101 AromaticContact CG-CG 3.8Å
58Q98.7Very high97.6Very high92 Ų9227.9 Ų27.943%0.4315%0.148SC..Hα-helixtrans-61.2-41179.4-69171.23.800112.5D54 I55 L60 L61 M62 A204D54-Q58 WeakPolarHBondContact O-CG 3.35Å; D54-Q58 PolarHBondContact O-N 2.83Å; I55-Q58 PolarHBondContact O-N 3.45Å; Q58-L60 PolarHBondContact O-N 3.14Å; Q58-L61 PolarHBondContact O-N 3.08Å; Q58-M62 WeakPolarHBondContact O-CG 3.46Å; Q58-M62 PolarHBondContact O-N 2.86Å; Q58-M62 VanDerWaalsContact O-N 3.07Å; Q58-A204 HydrophobicContact CB-CB 3.91Å
59C98.9Very high97.7Very high0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-59-48.4175.3-660000111.3L13 I55 T56 H57 L61 M62 L63 A203 A204L13-C59 HydrophobicContact CD1-CB 3.59Å; L13-C59 HydrophobicContact CD2-CB 3.9Å; L13-C59 HydrophobicContact CG-CB 4.43Å; I55-C59 PolarHBondContact O-N 2.86Å; I55-C59 PolarHBondContact O-SG 2.83Å; T56-C59 PolarHBondContact O-N 2.95Å; H57-C59 PolarHBondContact O-N 2.84Å; C59-L61 VanDerWaalsContact C-N 3.29Å; C59-L61 PolarHBondContact O-N 3.09Å; C59-M62 PolarHBondContact O-N 3.29Å; C59-L63 WeakPolarHBondContact O-CB 3.44Å; C59-L63 VanDerWaalsContact O-CG 3.23Å; C59-L63 WeakPolarHBondContact O-CG 3.38Å; C59-L63 PolarHBondContact O-N 3.27Å; C59-A203 WeakPolarHBondContact SG-CB 3.39Å; C59-A204 PolarHBondContact SG-N 3.42Å; C59-A204 VanDerWaalsContact SG-N 3.39Å
60L98.9Very high97.8Very high0 Ų034.1 Ų34.10%016%0.159CC..Hα-helixtrans-63-36.2179.4-70.5171.3000112.4L13 T56 H57 Q58 L64 V76 I78 V88 I94 F101L13-L60 HydrophobicContact CD1-CD2 4.12Å; L13-L60 HydrophobicContact CD1-CG 4.21Å; T56-L60 HydrophobicContact CG2-CD1 4.04Å; T56-L60 HydrophobicContact CG2-CG 4.35Å; T56-L60 VanDerWaalsContact O-CG 3.32Å; T56-L60 WeakPolarHBondContact O-CG 3.01Å; T56-L60 PolarHBondContact O-N 2.79Å; H57-L60 PolarHBondContact O-N 2.88Å; Q58-L60 PolarHBondContact O-N 3.14Å; L60-L64 WeakPolarHBondContact O-CB 3.35Å; L60-L64 WeakPolarHBondContact O-CG 3.4Å; L60-L64 PolarHBondContact O-N 3.15Å; L60-V76 HydrophobicContact CD2-CG1 3.94Å; L60-I78 HydrophobicContact CD1-CD1 3.87Å; L60-I78 HydrophobicContact CD2-CD1 4.09Å; L60-I78 HydrophobicContact CD2-CG1 4.45Å; L60-I78 HydrophobicContact CG-CD1 4.4Å; L60-V88 HydrophobicContact CD2-CG2 4.27Å; L60-I94 HydrophobicContact CB-CG1 4.15Å; L60-I94 HydrophobicContact CB-CG2 4.41Å; L60-I94 HydrophobicContact CD1-CD1 4.12Å; L60-I94 HydrophobicContact CD1-CG1 4.48Å; L60-F101 HydrophobicContact CD1-CE2 3.78Å; L60-F101 HydrophobicContact CD1-CZ 4.28Å
61L98.7Very high97.8Very high25 Ų2534.6 Ų34.613%0.13116%0.162CC..Hα-helixtrans-62.5-44.4174-64-173.7000111.6H57 Q58 C59 D65 I94H57-L61 WeakPolarHBondContact O-CG 3.34Å; H57-L61 PolarHBondContact O-N 2.85Å; Q58-L61 PolarHBondContact O-N 3.08Å; C59-L61 VanDerWaalsContact C-N 3.29Å; C59-L61 PolarHBondContact O-N 3.09Å; L61-D65 VanDerWaalsContact O-CB 3.24Å; L61-D65 WeakPolarHBondContact O-CB 3.43Å; L61-D65 VanDerWaalsContact O-CG 3.25Å; L61-D65 PolarHBondContact O-N 3Å; L61-I94 HydrophobicContact CD2-CB 4.07Å; L61-I94 HydrophobicContact CD2-CG2 3.67Å
62M98.4Very high97.7Very high81 Ų8136 Ų3640%0.39918%0.178SC..Hα-helixtrans-66.4-44.6177.9-65.2-6195.600112Q58 C59 S66 A204 C207Q58-M62 WeakPolarHBondContact O-CG 3.46Å; Q58-M62 PolarHBondContact O-N 2.86Å; Q58-M62 VanDerWaalsContact O-N 3.07Å; C59-M62 PolarHBondContact O-N 3.29Å; M62-S66 PolarHBondContact O-N 2.85Å; M62-A204 HydrophobicContact CG-CB 4Å; M62-C207 HydrophobicContact CB-CB 4.39Å
63L98.8Very high97.7Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-64.8-50.7-177.9-71.9173000112I11 L13 C59 D65 S66 L74 V76 C207I11-L63 HydrophobicContact CB-CD1 4.33Å; I11-L63 HydrophobicContact CB-CD2 4.34Å; I11-L63 HydrophobicContact CG1-CD2 3.83Å; I11-L63 HydrophobicContact CG2-CD1 3.8Å; I11-L63 HydrophobicContact CG2-CD2 4.2Å; L13-L63 HydrophobicContact CD1-CD1 4.12Å; L13-L63 HydrophobicContact CD2-CD1 4.23Å; L13-L63 HydrophobicContact CG-CD1 4.27Å; C59-L63 WeakPolarHBondContact O-CB 3.44Å; C59-L63 VanDerWaalsContact O-CG 3.23Å; C59-L63 WeakPolarHBondContact O-CG 3.38Å; C59-L63 PolarHBondContact O-N 3.27Å; L63-D65 VanDerWaalsContact C-N 3.33Å; L63-D65 PolarHBondContact O-N 3.49Å; L63-S66 WeakPolarHBondContact O-CB 3.22Å; L63-S66 PolarHBondContact O-N 2.88Å; L63-S66 PolarHBondContact O-OG 3.46Å; L63-L74 HydrophobicContact CB-CD2 4.05Å; L63-L74 HydrophobicContact CD2-CD2 4.37Å; L63-L74 WeakPolarHBondContact O-CD2 3.38Å; L63-V76 HydrophobicContact CB-CG2 4.2Å; L63-V76 HydrophobicContact CD1-CG1 3.92Å; L63-V76 HydrophobicContact CD1-CG2 3.99Å; L63-C207 HydrophobicContact CD2-CB 3.69Å; L63-C207 HydrophobicContact CG-CB 3.88Å
64L98.4Very high97.7Very high15 Ų1534 Ų348%0.07917%0.171CC..Hα-helixtrans-80.3-15.8-172-59.3177.8000113.5L60 N69 V76 V88 I94L60-L64 WeakPolarHBondContact O-CB 3.35Å; L60-L64 WeakPolarHBondContact O-CG 3.4Å; L60-L64 PolarHBondContact O-N 3.15Å; L64-N69 PolarHBondContact O-ND2 3.38Å; L64-V76 HydrophobicContact CD2-CG2 4.34Å; L64-V88 HydrophobicContact CD1-CG1 4.05Å; L64-V88 HydrophobicContact CD2-CG1 4.25Å; L64-I94 HydrophobicContact CD1-CB 4.37Å; L64-I94 HydrophobicContact CD1-CD1 4.34Å; L64-I94 HydrophobicContact CD1-CG1 3.36Å
65D97.5Very high97.7Very high62 Ų6233 Ų3333%0.33217%0.166SC..Hα-helixtrans-84.5-18.1172.9-786.7000114L61 L63 R96L61-D65 VanDerWaalsContact O-CB 3.24Å; L61-D65 WeakPolarHBondContact O-CB 3.43Å; L61-D65 VanDerWaalsContact O-CG 3.25Å; L61-D65 PolarHBondContact O-N 3Å; L63-D65 VanDerWaalsContact C-N 3.33Å; L63-D65 PolarHBondContact O-N 3.49Å; D65-R96 VanDerWaalsContact CG-NH1 3.26Å; D65-R96 IonicContact OD1-CZ 2.81Å; D65-R96 VanDerWaalsContact OD1-CZ 3.29Å; D65-R96 IonicContact OD1-NH1 3.26Å; D65-R96 PolarHBondContact OD1-NH1 3.2Å; D65-R96 IonicContact OD1-NH2 3.22Å; D65-R96 PolarHBondContact OD1-NH2 2.67Å; D65-R96 IonicContact OD2-CZ 3.28Å; D65-R96 IonicContact OD2-NH1 3.79Å; D65-R96 PolarHBondContact OD2-NH1 3.37Å; D65-R96 IonicContact OD2-NH2 2.67Å; D65-R96 PolarHBondContact OD2-NH2 2.88Å
66S98.1Very high97.7Very high9 Ų932.2 Ų32.26%0.06316%0.161CC..SBendtrans-55139.9-178.368.90000111.6M62 L63 L68 N69 R70 E215M62-S66 PolarHBondContact O-N 2.85Å; L63-S66 WeakPolarHBondContact O-CB 3.22Å; L63-S66 PolarHBondContact O-N 2.88Å; L63-S66 PolarHBondContact O-OG 3.46Å; S66-L68 PolarHBondContact O-N 2.89Å; S66-N69 PolarHBondContact O-N 2.82Å; S66-N69 PolarHBondContact OG-N 3.21Å; S66-N69 VanDerWaalsContact OG-N 3.12Å; S66-R70 PolarHBondContact O-N 3.39Å; S66-E215 WeakPolarHBondContact CB-OE1 3.42Å
67P97.3Very high97.7Very high40 Ų4032.5 Ų32.526%0.2616%0.163SC..Hα-helixtrans-47.3-38.5165.7-29.333.8000112.4N69 R70 V71 E215 V220P67-N69 VanDerWaalsContact C-N 3.32Å; P67-N69 PolarHBondContact O-N 2.87Å; P67-R70 WeakPolarHBondContact O-CB 3.32Å; P67-R70 PolarHBondContact O-N 3.29Å; P67-V71 PolarHBondContact O-N 3.38Å; P67-V71 VanDerWaalsContact O-N 3.09Å; P67-E215 HydrophobicContact CB-CG 4.36Å; P67-E215 VanDerWaalsContact CD-OE1 3.22Å; P67-E215 WeakPolarHBondContact CD-OE1 3.18Å; P67-V220 HydrophobicContact CB-CG1 3.81Å
68L96.9Very high97.7Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-55.1-42.5177-158.365.9000113.7L9 S66 V71 K73 L74 C211 F214 E215 W218 V220L9-L68 HydrophobicContact CB-CD2 4.04Å; L9-L68 HydrophobicContact CD2-CD2 3.51Å; L9-L68 HydrophobicContact CG-CD2 4.41Å; S66-L68 PolarHBondContact O-N 2.89Å; L68-V71 WeakPolarHBondContact O-CG2 3.18Å; L68-K73 HydrophobicContact CD1-CB 3.84Å; L68-K73 HydrophobicContact CG-CB 4.11Å; L68-K73 PolarHBondContact O-N 3.19Å; L68-L74 HydrophobicContact CD2-CD1 4.37Å; L68-L74 HydrophobicContact CG-CB 4.49Å; L68-C211 HydrophobicContact CD2-CB 4.44Å; L68-F214 HydrophobicContact CD1-CB 4.37Å; L68-F214 HydrophobicContact CD2-CB 3.97Å; L68-E215 HydrophobicContact CB-CG 3.83Å; L68-E215 WeakPolarHBondContact CB-OE1 3.22Å; L68-E215 HydrophobicContact CD1-CG 4.07Å; L68-E215 HydrophobicContact CG-CG 4.47Å; L68-E215 PolarHBondContact N-OE1 2.86Å; L68-E215 VanDerWaalsContact N-OE1 3.11Å; L68-W218 HydrophobicContact CD1-CE3 3.49Å; L68-W218 VanDerWaalsContact CD1-CE3 3.49Å; L68-W218 HydrophobicContact CD1-CZ3 3.67Å; L68-W218 HydrophobicContact CD2-CZ3 4.45Å; L68-W218 HydrophobicContact CG-CZ3 4.39Å; L68-V220 HydrophobicContact CD1-CG2 3.83Å
69N97.5Very high97.7Very high14 Ų1428.6 Ų28.68%0.07514%0.144CC..Hα-helixtrans-67.5-39175.6-172.656.7000111.7L64 S66 P67 V71 G72 L74 P90L64-N69 PolarHBondContact O-ND2 3.38Å; S66-N69 PolarHBondContact O-N 2.82Å; S66-N69 PolarHBondContact OG-N 3.21Å; S66-N69 VanDerWaalsContact OG-N 3.12Å; P67-N69 VanDerWaalsContact C-N 3.32Å; P67-N69 PolarHBondContact O-N 2.87Å; N69-V71 VanDerWaalsContact C-N 3.31Å; N69-V71 PolarHBondContact O-N 3.38Å; N69-G72 PolarHBondContact O-N 2.97Å; N69-L74 HydrophobicContact CB-CB 4.12Å; N69-L74 HydrophobicContact CB-CD2 3.82Å; N69-P90 PolarHBondContact ND2-O 2.92Å; N69-P90 WeakPolarHBondContact OD1-CB 3.46Å
70R94.9Very high97.7Very high192 Ų19228.7 Ų28.773%0.72514%0.144SC*.Hα-helixtrans-64.9-34.5-177.9-62.2-176.8-174.6-158.52.4112.7S66 P67 G72S66-R70 PolarHBondContact O-N 3.39Å; P67-R70 WeakPolarHBondContact O-CB 3.32Å; P67-R70 PolarHBondContact O-N 3.29Å; R70-G72 PolarHBondContact O-N 2.99Å
71V95.2Very high97.5Very high36 Ų3632.8 Ų32.822%0.21816%0.159CC..THydrogen-bonded Turntrans-85.49.6175.3-59.10000113.5P67 L68 N69 K73 V220 L224P67-V71 PolarHBondContact O-N 3.38Å; P67-V71 VanDerWaalsContact O-N 3.09Å; L68-V71 WeakPolarHBondContact O-CG2 3.18Å; N69-V71 VanDerWaalsContact C-N 3.31Å; N69-V71 PolarHBondContact O-N 3.38Å; V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 HydrophobicContact CG2-CB 3.95Å; V71-K73 HydrophobicContact CG2-CG 3.72Å; V71-K73 PolarHBondContact O-N 2.89Å; V71-V220 HydrophobicContact CB-CG1 4.48Å; V71-V220 HydrophobicContact CG1-CG1 3.83Å; V71-V220 HydrophobicContact CG2-CG1 3.8Å; V71-V220 HydrophobicContact CG2-CG2 4.16Å; V71-L224 HydrophobicContact CG1-CD2 4.34Å; V71-L224 HydrophobicContact CG1-CG 4.42Å
72G94.9Very high97.4Very high32 Ų3237.8 Ų37.833%0.3318%0.18SC..THydrogen-bonded Turntrans71.421.6175.700000114.6R8 N69 R70R8-G72 PolarHBondContact NE-O 2.96Å; N69-G72 PolarHBondContact O-N 2.97Å; R70-G72 PolarHBondContact O-N 2.99Å
73K96.5Very high97.3Very high52 Ų5237.7 Ų37.723%0.22618%0.181CC..  trans-100.44.7-176.9-70.9-74.8-179.6170.60113.8V7 R8 L9 L68 V71 W218V7-K73 WeakPolarHBondContact O-CD 3.35Å; V7-K73 PolarHBondContact O-NZ 3.4Å; R8-K73 WeakPolarHBondContact CA-O 3.32Å; L9-K73 PolarHBondContact N-O 3.07Å; L68-K73 HydrophobicContact CD1-CB 3.84Å; L68-K73 HydrophobicContact CG-CB 4.11Å; L68-K73 PolarHBondContact O-N 3.19Å; V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 HydrophobicContact CG2-CB 3.95Å; V71-K73 HydrophobicContact CG2-CG 3.72Å; V71-K73 PolarHBondContact O-N 2.89Å; K73-W218 HydrophobicContact CB-CE3 4.03Å; K73-W218 HydrophobicContact CB-CZ3 3.8Å; K73-W218 HydrophobicContact CD-CE3 4.26Å; K73-W218 HydrophobicContact CD-CZ3 4.28Å; K73-W218 HydrophobicContact CG-CE3 4.3Å; K73-W218 HydrophobicContact CG-CZ3 4.43Å
74L98.2Very high97.3Very high0 Ų039.7 Ų39.70%019%0.193CC..EExtended strand (participates in β ladder)trans-118.6136.6178.4-173.868.9000111L9 I11 L63 L68 N69 V76L9-L74 HydrophobicContact CB-CD1 4.26Å; L9-L74 HydrophobicContact CD2-CD1 4.05Å; L9-L74 HydrophobicContact CG-CD1 4.13Å; L9-L74 CarbonylContact O-C 3.59Å; L9-L74 WeakPolarHBondContact O-CA 3.19Å; I11-L74 HydrophobicContact CG1-CD1 3.71Å; L63-L74 HydrophobicContact CB-CD2 4.05Å; L63-L74 HydrophobicContact CD2-CD2 4.37Å; L63-L74 WeakPolarHBondContact O-CD2 3.38Å; L68-L74 HydrophobicContact CD2-CD1 4.37Å; L68-L74 HydrophobicContact CG-CB 4.49Å; N69-L74 HydrophobicContact CB-CB 4.12Å; N69-L74 HydrophobicContact CB-CD2 3.82Å; L74-V76 HydrophobicContact CD1-CG2 4.45Å; L74-V76 HydrophobicContact CD2-CG2 3.87Å; L74-V76 HydrophobicContact CG-CG2 3.92Å
75Q98.3Very high97.3Very high13 Ų1339 Ų396%0.06119%0.19CC..EExtended strand (participates in β ladder)trans-127.2130.7165.718055.758.900109.3L9 Y10 I11 F77 V88L9-Q75 PolarHBondContact O-N 3.37Å; Y10-Q75 CarbonylContact C-O 3.55Å; Y10-Q75 WeakPolarHBondContact CA-O 3.33Å; Y10-Q75 HydrophobicContact CD1-CB 3.71Å; Y10-Q75 HydrophobicContact CD1-CG 3.72Å; Y10-Q75 HydrophobicContact CE1-CB 3.64Å; Y10-Q75 HydrophobicContact CE1-CG 3.52Å; Y10-Q75 HydrophobicContact CG-CB 4.19Å; I11-Q75 PolarHBondContact N-O 2.89Å; Q75-F77 HydrophobicContact CG-CD2 4.21Å; Q75-F77 HydrophobicContact CG-CE2 3.59Å; Q75-F77 HydrophobicContact CG-CZ 4.3Å; Q75-V88 PolarHBondContact NE2-O 2.98Å
76V98.8Very high97.3Very high2 Ų236 Ų361%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-115.3135.3-177.2-175.90000110.9I11 L60 L63 L64 L74 V88I11-V76 HydrophobicContact CB-CG2 4.49Å; I11-V76 WeakPolarHBondContact O-CA 3.45Å; L60-V76 HydrophobicContact CD2-CG1 3.94Å; L63-V76 HydrophobicContact CB-CG2 4.2Å; L63-V76 HydrophobicContact CD1-CG1 3.92Å; L63-V76 HydrophobicContact CD1-CG2 3.99Å; L64-V76 HydrophobicContact CD2-CG2 4.34Å; L74-V76 HydrophobicContact CD1-CG2 4.45Å; L74-V76 HydrophobicContact CD2-CG2 3.87Å; L74-V76 HydrophobicContact CG-CG2 3.92Å; V76-V88 HydrophobicContact CB-CB 4.14Å; V76-V88 HydrophobicContact CB-CG2 4.44Å; V76-V88 HydrophobicContact CG1-CG2 4.33Å; V76-V88 PolarHBondContact O-N 3.22Å
77F98.8Very high97.4Very high6 Ų638.5 Ų38.53%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-123.6149.9168.3-71.3-87.3000110.1Y10 I11 L12 L13 Q75 I85 I86 E87 V128 H135Y10-F77 HydrophobicContact CD1-CD2 4.43Å; Y10-F77 AromaticContact CD1-CE2 3.99Å; Y10-F77 HydrophobicContact CD1-CE2 3.99Å; Y10-F77 HydrophobicContact CE1-CE2 4.2Å; I11-F77 PolarHBondContact O-N 2.83Å; L12-F77 WeakPolarHBondContact CA-O 3.35Å; L12-F77 HydrophobicContact CD1-CB 3.98Å; L13-F77 PolarHBondContact N-O 2.88Å; Q75-F77 HydrophobicContact CG-CD2 4.21Å; Q75-F77 HydrophobicContact CG-CE2 3.59Å; Q75-F77 HydrophobicContact CG-CZ 4.3Å; F77-I85 HydrophobicContact CD1-CG2 4.09Å; F77-I86 CarbonylContact C-O 3.55Å; F77-I86 VanDerWaalsContact CA-O 3.31Å; F77-I86 WeakPolarHBondContact CA-O 3.33Å; F77-E87 HydrophobicContact CD1-CB 4.06Å; F77-E87 HydrophobicContact CD1-CG 4.41Å; F77-E87 HydrophobicContact CE1-CB 3.66Å; F77-E87 HydrophobicContact CE1-CG 3.68Å; F77-E87 HydrophobicContact CZ-CG 4.05Å; F77-V128 HydrophobicContact CE1-CG2 4.46Å; F77-H135 HydrophobicContact CE1-CB 3.7Å; F77-H135 HydrophobicContact CE2-CB 4.21Å; F77-H135 HydrophobicContact CZ-CB 3.51Å
78I98.9Very high97.4Very high0 Ų036.6 Ų36.60%017%0.172CC..EExtended strand (participates in β ladder)trans-122.8126.1173.5-48.1168.8000107.4L13 A16 L18 T56 L60 I85 I86 V88L13-I78 HydrophobicContact CB-CG1 4.44Å; L13-I78 HydrophobicContact CB-CG2 4.36Å; L13-I78 HydrophobicContact CD1-CG1 4.46Å; L13-I78 CarbonylContact O-C 3.49Å; L13-I78 WeakPolarHBondContact O-CA 3.37Å; A16-I78 HydrophobicContact CB-CG2 3.34Å; L18-I78 HydrophobicContact CD1-CD1 4.48Å; L18-I78 HydrophobicContact CD1-CG2 4.16Å; T56-I78 HydrophobicContact CG2-CD1 4.07Å; T56-I78 HydrophobicContact CG2-CG2 4.19Å; L60-I78 HydrophobicContact CD1-CD1 3.87Å; L60-I78 HydrophobicContact CD2-CD1 4.09Å; L60-I78 HydrophobicContact CD2-CG1 4.45Å; L60-I78 HydrophobicContact CG-CD1 4.4Å; I78-I85 CarbonylContact O-C 3.57Å; I78-I85 VanDerWaalsContact O-CA 3.28Å; I78-I85 WeakPolarHBondContact O-CA 3.31Å; I78-I86 HydrophobicContact CB-CB 4.19Å; I78-I86 HydrophobicContact CD1-CB 4.49Å; I78-I86 HydrophobicContact CD1-CG2 4.42Å; I78-I86 PolarHBondContact N-O 2.94Å; I78-I86 PolarHBondContact O-N 3.41Å; I78-V88 HydrophobicContact CD1-CG2 4.08Å; I78-V88 HydrophobicContact CG1-CG2 4.25Å
79R98.6Very high97.5Very high22 Ų2238.1 Ų38.18%0.08318%0.18CC..EExtended strand (participates in β ladder)trans-109.7115.7167.2-174.517268.5162.84.7108.7L12 L13 D14 Q15 A16 I85 T185 C186L12-R79 HydrophobicContact CD1-CB 3.91Å; L13-R79 PolarHBondContact O-N 2.73Å; D14-R79 CarbonylContact C-O 3.48Å; D14-R79 WeakPolarHBondContact OD1-CB 3.2Å; D14-R79 IonicContact OD1-CZ 3.16Å; D14-R79 VanDerWaalsContact OD1-CZ 3.26Å; D14-R79 IonicContact OD1-NE 2.8Å; D14-R79 PolarHBondContact OD1-NE 2.82Å; D14-R79 IonicContact OD1-NH2 2.68Å; D14-R79 PolarHBondContact OD1-NH2 3.39Å; D14-R79 IonicContact OD2-CZ 3.04Å; D14-R79 IonicContact OD2-NE 2.81Å; D14-R79 IonicContact OD2-NH2 2.64Å; D14-R79 PolarHBondContact OD2-NH2 3.13Å; Q15-R79 PolarHBondContact N-O 2.62Å; A16-R79 PolarHBondContact N-O 3.11Å; R79-I85 HydrophobicContact CG-CG1 4.27Å; R79-T185 PolarHBondContact NH2-O 3.38Å; R79-C186 PolarHBondContact NH2-SG 3.16Å
80T98.2Very high97.4Very high1 Ų139.1 Ų39.11%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-76.4164.1-179.3660000111.4A16 L18 K82 N83 V84 I86A16-T80 CarbonylContact O-C 3.56Å; A16-T80 VanDerWaalsContact O-CA 3.24Å; A16-T80 WeakPolarHBondContact O-CA 3.35Å; A16-T80 WeakPolarHBondContact O-CB 3.49Å; L18-T80 HydrophobicContact CB-CG2 3.89Å; L18-T80 HydrophobicContact CD1-CG2 4.4Å; T80-K82 PolarHBondContact O-N 2.82Å; T80-K82 PolarHBondContact OG1-N 2.8Å; T80-N83 WeakPolarHBondContact O-CA 3.32Å; T80-N83 PolarHBondContact O-N 3.12Å; T80-V84 HydrophobicContact CG2-CB 4.27Å; T80-V84 PolarHBondContact N-O 3.14Å; T80-V84 WeakPolarHBondContact OG1-CB 3.37Å; T80-V84 PolarHBondContact OG1-N 3.47Å; T80-V84 PolarHBondContact OG1-O 2.83Å; T80-I86 HydrophobicContact CG2-CD1 4.38Å
81R95.5Very high97.5Very high86 Ų8636.6 Ų36.633%0.32518%0.182SC..THydrogen-bonded Turntrans-58.4-27.2172.4-63-167.7177.4169.51.7113.9Q15 A16 T50 N83Q15-R81 HydrophobicContact CB-CG 4.35Å; Q15-R81 VanDerWaalsContact O-CG 3.29Å; Q15-R81 WeakPolarHBondContact O-CG 3.5Å; Q15-R81 PolarHBondContact O-NE 3.07Å; A16-R81 PolarHBondContact O-N 2.91Å; T50-R81 PolarHBondContact O-NH1 3.06Å; T50-R81 VanDerWaalsContact O-NH1 3.09Å; T50-R81 PolarHBondContact O-NH2 3.31Å; T50-R81 PolarHBondContact OG1-NH1 2.88Å; R81-N83 PolarHBondContact O-N 3.3Å
82K95.4Very high97.5Very high131 Ų13135.3 Ų35.357%0.5717%0.174SC*.THydrogen-bonded Turntrans-88.118.1174.1-69.6-165.7168.5179.90113.1E19 T80 V84E19-K82 HydrophobicContact CG-CD 4.37Å; E19-K82 IonicContact OE1-NZ 2.83Å; E19-K82 PolarHBondContact OE1-NZ 3.21Å; E19-K82 WeakPolarHBondContact OE2-CE 3.19Å; E19-K82 IonicContact OE2-NZ 3.09Å; E19-K82 PolarHBondContact OE2-NZ 3.13Å; E19-K82 VanDerWaalsContact OE2-NZ 3.16Å; T80-K82 PolarHBondContact O-N 2.82Å; T80-K82 PolarHBondContact OG1-N 2.8Å; K82-V84 PolarHBondContact O-N 3.25Å; K82-V84 VanDerWaalsContact O-N 3.15Å
83N96.6Very high97.6Very high78 Ų7844.7 Ų44.742%0.41720%0.199SC..  trans58.425.2177-158.835.2000114.6T80 R81 N130T80-N83 WeakPolarHBondContact O-CA 3.32Å; T80-N83 PolarHBondContact O-N 3.12Å; R81-N83 PolarHBondContact O-N 3.3Å; N83-N130 PolarHBondContact O-ND2 2.88Å; N83-N130 PolarHBondContact OD1-OD1 3.15Å
84V98.3Very high97.6Very high42 Ų4242.7 Ų42.726%0.25519%0.191SC..  trans-81.2127167.4-177.50000108T80 K82 I86 L109 V127T80-V84 HydrophobicContact CG2-CB 4.27Å; T80-V84 PolarHBondContact N-O 3.14Å; T80-V84 WeakPolarHBondContact OG1-CB 3.37Å; T80-V84 PolarHBondContact OG1-N 3.47Å; T80-V84 PolarHBondContact OG1-O 2.83Å; K82-V84 PolarHBondContact O-N 3.25Å; K82-V84 VanDerWaalsContact O-N 3.15Å; V84-I86 HydrophobicContact CG1-CG1 4.42Å; V84-L109 HydrophobicContact CG1-CD2 4.24Å; V84-V127 HydrophobicContact CG1-CB 4.47Å; V84-V127 HydrophobicContact CG1-CG1 3.68Å; V84-V127 HydrophobicContact CG1-CG2 4Å
85I98.6Very high97.6Very high0 Ų043.8 Ų43.80%020%0.198CC..EExtended strand (participates in β ladder)trans-99.8130.6174.6-56.1159.9000109.1F77 I78 R79 V127 V128 N130 V132F77-I85 HydrophobicContact CD1-CG2 4.09Å; I78-I85 CarbonylContact O-C 3.57Å; I78-I85 VanDerWaalsContact O-CA 3.28Å; I78-I85 WeakPolarHBondContact O-CA 3.31Å; R79-I85 HydrophobicContact CG-CG1 4.27Å; I85-V127 CarbonylContact O-C 3.6Å; I85-V127 VanDerWaalsContact O-CA 3.32Å; I85-V127 WeakPolarHBondContact O-CA 3.23Å; I85-V128 HydrophobicContact CB-CG2 3.76Å; I85-V128 HydrophobicContact CG2-CG2 3.39Å; I85-V128 PolarHBondContact O-N 3.28Å; I85-N130 HydrophobicContact CD1-CB 4.26Å; I85-N130 WeakPolarHBondContact CD1-OD1 3.46Å; I85-V132 VanDerWaalsContact CD1-CA 3.46Å; I85-V132 HydrophobicContact CD1-CB 3.65Å; I85-V132 HydrophobicContact CD1-CG2 4.22Å; I85-V132 HydrophobicContact CG1-CB 4.17Å; I85-V132 HydrophobicContact CG1-CG2 4.41Å; I85-V132 HydrophobicContact CG2-CG2 4.04Å
86I98.8Very high97.6Very high0 Ų049.2 Ų49.20%022%0.218CC..EExtended strand (participates in β ladder)trans-116.2124.2175.9-61.4160.1000108.1L18 F77 I78 T80 V84 V88 L108 L125 K126 V127L18-I86 HydrophobicContact CD1-CD1 4.26Å; F77-I86 CarbonylContact C-O 3.55Å; F77-I86 VanDerWaalsContact CA-O 3.31Å; F77-I86 WeakPolarHBondContact CA-O 3.33Å; I78-I86 HydrophobicContact CB-CB 4.19Å; I78-I86 HydrophobicContact CD1-CB 4.49Å; I78-I86 HydrophobicContact CD1-CG2 4.42Å; I78-I86 PolarHBondContact N-O 2.94Å; I78-I86 PolarHBondContact O-N 3.41Å; T80-I86 HydrophobicContact CG2-CD1 4.38Å; V84-I86 HydrophobicContact CG1-CG1 4.42Å; I86-V88 HydrophobicContact CG2-CG2 4.37Å; I86-L108 HydrophobicContact CB-CD2 4.44Å; I86-L108 HydrophobicContact CD1-CD2 3.74Å; I86-L108 HydrophobicContact CG1-CD2 3.95Å; I86-L108 HydrophobicContact CG2-CD2 3.64Å; I86-L125 HydrophobicContact CG2-CD2 4.35Å; I86-K126 CarbonylContact C-O 3.53Å; I86-K126 WeakPolarHBondContact CA-O 3.32Å; I86-V127 HydrophobicContact CG1-CG2 4.36Å
87E98.7Very high97.6Very high62 Ų6252.4 Ų52.429%0.2924%0.238SC..EExtended strand (participates in β ladder)trans-86.8131.9166.8-177.5-178.5-169.700109F77 K126 V128F77-E87 HydrophobicContact CD1-CB 4.06Å; F77-E87 HydrophobicContact CD1-CG 4.41Å; F77-E87 HydrophobicContact CE1-CB 3.66Å; F77-E87 HydrophobicContact CE1-CG 3.68Å; F77-E87 HydrophobicContact CZ-CG 4.05Å; E87-K126 PolarHBondContact N-O 2.91Å; E87-K126 PolarHBondContact O-N 3.23Å; E87-K126 VanDerWaalsContact O-N 3.07Å; E87-V128 HydrophobicContact CB-CG1 3.8Å; E87-V128 HydrophobicContact CB-CG2 4.41Å; E87-V128 WeakPolarHBondContact OE2-CG1 3.37Å
88V98.7Very high97.5Very high0 Ų054.6 Ų54.60%025%0.247CC..EExtended strand (participates in β ladder)trans-110.5117.7178.6-175.50000109.1L60 L64 Q75 V76 I78 I86 L125L60-V88 HydrophobicContact CD2-CG2 4.27Å; L64-V88 HydrophobicContact CD1-CG1 4.05Å; L64-V88 HydrophobicContact CD2-CG1 4.25Å; Q75-V88 PolarHBondContact NE2-O 2.98Å; V76-V88 HydrophobicContact CB-CB 4.14Å; V76-V88 HydrophobicContact CB-CG2 4.44Å; V76-V88 HydrophobicContact CG1-CG2 4.33Å; V76-V88 PolarHBondContact O-N 3.22Å; I78-V88 HydrophobicContact CD1-CG2 4.08Å; I78-V88 HydrophobicContact CG1-CG2 4.25Å; I86-V88 HydrophobicContact CG2-CG2 4.37Å; V88-L125 HydrophobicContact CB-CD2 4.12Å; V88-L125 HydrophobicContact CG1-CD2 3.87Å; V88-L125 HydrophobicContact CG2-CD2 3.82Å
89N97.3Very high97.3Very high31 Ų3159.2 Ų59.217%0.16627%0.272CS..  trans-67.6132.9173.8-175-44.5000109.2K91 T92 E122 K123 L124N89-K91 PolarHBondContact O-N 2.86Å; N89-K91 WeakPolarHBondContact OD1-CB 3.28Å; N89-K91 PolarHBondContact OD1-N 3.36Å; N89-T92 WeakPolarHBondContact O-CB 3.41Å; N89-T92 PolarHBondContact O-N 3.39Å; N89-T92 PolarHBondContact O-OG1 2.97Å; N89-E122 PolarHBondContact ND2-OE1 3.35Å; N89-K123 PolarHBondContact ND2-O 2.86Å; N89-L124 HydrophobicContact CB-CD2 4.48Å; N89-L124 WeakPolarHBondContact CB-O 3.32Å; N89-L124 PolarHBondContact N-O 2.81Å
90P97.1Very high97.3Very high36 Ų3665.6 Ų65.623%0.23430%0.296CS..THydrogen-bonded Turntrans-52.5-27.8177.7-30.637.5000115.1N69 T92N69-P90 PolarHBondContact ND2-O 2.92Å; N69-P90 WeakPolarHBondContact OD1-CB 3.46Å; P90-T92 PolarHBondContact O-N 3.27Å
91K95.3Very high97.3Very high138 Ų13865.6 Ų65.660%0.630%0.296SS*.THydrogen-bonded Turntrans-76.7-6.7177.3-60.6177.7-172.6163.30114N89 R93 E122 L124N89-K91 PolarHBondContact O-N 2.86Å; N89-K91 WeakPolarHBondContact OD1-CB 3.28Å; N89-K91 PolarHBondContact OD1-N 3.36Å; K91-R93 PolarHBondContact O-N 3.09Å; K91-E122 IonicContact NZ-OE1 2.59Å; K91-E122 PolarHBondContact NZ-OE1 3.06Å; K91-E122 IonicContact NZ-OE2 2.7Å; K91-E122 PolarHBondContact NZ-OE2 3.03Å; K91-L124 HydrophobicContact CB-CD2 4.37Å
92T96.5Very high97.4Very high9 Ų962.2 Ų62.26%0.05529%0.285CS..  trans-65.5123.1-176.4-570000110.9N89 P90 I94 L124 L125N89-T92 WeakPolarHBondContact O-CB 3.41Å; N89-T92 PolarHBondContact O-N 3.39Å; N89-T92 PolarHBondContact O-OG1 2.97Å; P90-T92 PolarHBondContact O-N 3.27Å; T92-I94 HydrophobicContact CG2-CD1 3.89Å; T92-I94 HydrophobicContact CG2-CG1 4.26Å; T92-L124 HydrophobicContact CG2-CB 4.37Å; T92-L124 PolarHBondContact OG1-O 3Å; T92-L125 HydrophobicContact CG2-CD1 4.45Å; T92-L125 HydrophobicContact CG2-CD2 4.18Å; T92-L125 HydrophobicContact CG2-CG 4.13Å
93R95.6Very high97.5Very high229 Ų22958 Ų5886%0.86428%0.279SS*.  trans-90.9102.5168.9-68-173.8-177.7-851.6110K91K91-R93 PolarHBondContact O-N 3.09Å
94I97.6Very high97.5Very high11 Ų1155.7 Ų55.76%0.05627%0.267CS..  trans-70.7131.1177.7-67-69.8000110.1L60 L61 L64 T92 R96 F101 L104L60-I94 HydrophobicContact CB-CG1 4.15Å; L60-I94 HydrophobicContact CB-CG2 4.41Å; L60-I94 HydrophobicContact CD1-CD1 4.12Å; L60-I94 HydrophobicContact CD1-CG1 4.48Å; L61-I94 HydrophobicContact CD2-CB 4.07Å; L61-I94 HydrophobicContact CD2-CG2 3.67Å; L64-I94 HydrophobicContact CD1-CB 4.37Å; L64-I94 HydrophobicContact CD1-CD1 4.34Å; L64-I94 HydrophobicContact CD1-CG1 3.36Å; T92-I94 HydrophobicContact CG2-CD1 3.89Å; T92-I94 HydrophobicContact CG2-CG1 4.26Å; I94-R96 PolarHBondContact O-N 3.22Å; I94-F101 HydrophobicContact CG2-CD2 3.95Å; I94-F101 HydrophobicContact CG2-CE2 4.49Å; I94-L104 HydrophobicContact CD1-CD2 4.46Å
95P98.1Very high97.5Very high23 Ų2353.8 Ų53.815%0.14926%0.255CS..  trans-57.3131.8177.9-25.333.4000111.5H57 R100 L104H57-P95 PolarHBondContact NE2-O 3.32Å; P95-R100 HydrophobicContact CB-CB 3.59Å; P95-R100 HydrophobicContact CG-CB 4.2Å; P95-L104 HydrophobicContact CG-CD2 3.97Å
96R97.9Very high97.5Very high127 Ų12754.5 Ų54.548%0.47926%0.259SS..SBendtrans-71.9-31.4-179-58.4-52.2-175.8158.11.5113.8H57 D65 I94H57-R96 PolarHBondContact CE1-O 2.85Å; H57-R96 VanDerWaalsContact CE1-O 3.31Å; D65-R96 VanDerWaalsContact CG-NH1 3.26Å; D65-R96 IonicContact OD1-CZ 2.81Å; D65-R96 VanDerWaalsContact OD1-CZ 3.29Å; D65-R96 IonicContact OD1-NH1 3.26Å; D65-R96 PolarHBondContact OD1-NH1 3.2Å; D65-R96 IonicContact OD1-NH2 3.22Å; D65-R96 PolarHBondContact OD1-NH2 2.67Å; D65-R96 IonicContact OD2-CZ 3.28Å; D65-R96 IonicContact OD2-NH1 3.79Å; D65-R96 PolarHBondContact OD2-NH1 3.37Å; D65-R96 IonicContact OD2-NH2 2.67Å; D65-R96 PolarHBondContact OD2-NH2 2.88Å; I94-R96 PolarHBondContact O-N 3.22Å
97T98Very high97.4Very high68 Ų6858.6 Ų58.642%0.41728%0.278SS..SBendtrans-84.4129.6176.956.40000109.6D99 R100 F101T97-D99 VanDerWaalsContact C-N 3.33Å; T97-D99 PolarHBondContact O-N 3.25Å; T97-R100 PolarHBondContact O-N 2.91Å; T97-R100 WeakPolarHBondContact OG1-CB 3.45Å; T97-R100 WeakPolarHBondContact OG1-CG 3.35Å; T97-R100 PolarHBondContact OG1-NE 2.83Å; T97-F101 PolarHBondContact O-N 2.62Å
98F96.9Very high97.4Very high52 Ų5255.6 Ų55.623%0.22827%0.265CS..Hα-helixtrans-58.2-38.8-175.1177.5-110.5000113.9P53 D54 H57 R100 F101 C102P53-F98 HydrophobicContact CB-CE2 4.24Å; P53-F98 HydrophobicContact CB-CZ 4.23Å; P53-F98 HydrophobicContact CG-CE2 4.2Å; P53-F98 HydrophobicContact CG-CZ 3.74Å; D54-F98 HydrophobicContact CB-CD2 4.2Å; D54-F98 HydrophobicContact CB-CE2 3.84Å; D54-F98 HydrophobicContact CB-CZ 4.32Å; H57-F98 HydrophobicContact CB-CD2 4.22Å; H57-F98 AromaticContact ND1-CD2 3.67Å; F98-R100 PolarHBondContact O-N 2.83Å; F98-F101 HydrophobicContact CD2-CD1 4.24Å; F98-F101 HydrophobicContact CE2-CD1 4.22Å; F98-F101 WeakPolarHBondContact O-CB 3.47Å; F98-F101 PolarHBondContact O-N 3.02Å; F98-C102 VanDerWaalsContact CE1-SG 3.54Å; F98-C102 WeakPolarHBondContact CZ-SG 3.4Å; F98-C102 PolarHBondContact O-N 3.34Å; F98-C102 PolarHBondContact O-SG 2.7Å; F98-C102 VanDerWaalsContact O-SG 3.32Å
99D96.4Very high97.3Very high98 Ų9857.3 Ų57.352%0.52427%0.274SS..Hα-helixtrans-62.9-40.1178.3-77.6-24.9000112.9R36 T97 C102 G103R36-D99 IonicContact NH2-OD1 2.62Å; R36-D99 PolarHBondContact NH2-OD1 2.85Å; R36-D99 VanDerWaalsContact NH2-OD1 3.15Å; R36-D99 IonicContact NH2-OD2 3.15Å; T97-D99 VanDerWaalsContact C-N 3.33Å; T97-D99 PolarHBondContact O-N 3.25Å; D99-C102 WeakPolarHBondContact O-CB 3.48Å; D99-C102 PolarHBondContact O-N 3.18Å; D99-G103 PolarHBondContact O-N 2.83Å
100R97.5Very high97.3Very high156 Ų15660.3 Ų60.359%0.58929%0.286SS*.Hα-helixtrans-67.4-37.5174.9-70.8-167.5-70.1158.5-5.5111.8P95 T97 F98 C102 G103 L104P95-R100 HydrophobicContact CB-CB 3.59Å; P95-R100 HydrophobicContact CG-CB 4.2Å; T97-R100 PolarHBondContact O-N 2.91Å; T97-R100 WeakPolarHBondContact OG1-CB 3.45Å; T97-R100 WeakPolarHBondContact OG1-CG 3.35Å; T97-R100 PolarHBondContact OG1-NE 2.83Å; F98-R100 PolarHBondContact O-N 2.83Å; R100-C102 VanDerWaalsContact C-N 3.34Å; R100-G103 PolarHBondContact O-N 2.85Å; R100-L104 WeakPolarHBondContact O-CB 3.49Å; R100-L104 PolarHBondContact O-N 3.22Å
101F98.3Very high97.2Very high0 Ų065.1 Ų65.10%030%0.304CS..Hα-helixtrans-61-44.3172.4168.2-98.1000111L18 H57 L60 I94 T97 F98 G103 L104 M105L18-F101 HydrophobicContact CD2-CE1 4.11Å; L18-F101 HydrophobicContact CD2-CZ 4.09Å; H57-F101 HydrophobicContact CB-CD1 3.66Å; H57-F101 HydrophobicContact CB-CD2 4.44Å; H57-F101 HydrophobicContact CB-CE1 3.67Å; H57-F101 HydrophobicContact CB-CE2 4.44Å; H57-F101 HydrophobicContact CB-CG 4.05Å; H57-F101 HydrophobicContact CB-CZ 4.06Å; H57-F101 AromaticContact CD2-CD1 3.97Å; H57-F101 AromaticContact CD2-CD2 3.66Å; H57-F101 AromaticContact CD2-CG 3.45Å; H57-F101 VanDerWaalsContact CD2-CG 3.45Å; H57-F101 WeakPolarHBondContact CD2-CG 3.47Å; H57-F101 AromaticContact CG-CD1 3.83Å; H57-F101 AromaticContact CG-CG 3.8Å; L60-F101 HydrophobicContact CD1-CE2 3.78Å; L60-F101 HydrophobicContact CD1-CZ 4.28Å; I94-F101 HydrophobicContact CG2-CD2 3.95Å; I94-F101 HydrophobicContact CG2-CE2 4.49Å; T97-F101 PolarHBondContact O-N 2.62Å; F98-F101 HydrophobicContact CD2-CD1 4.24Å; F98-F101 HydrophobicContact CE2-CD1 4.22Å; F98-F101 WeakPolarHBondContact O-CB 3.47Å; F98-F101 PolarHBondContact O-N 3.02Å; F101-G103 PolarHBondContact O-N 2.59Å; F101-L104 WeakPolarHBondContact O-CB 2.96Å; F101-L104 PolarHBondContact O-N 2.64Å; F101-M105 HydrophobicContact CD1-CG 4.24Å; F101-M105 HydrophobicContact CD2-CE 4.23Å; F101-M105 HydrophobicContact CD2-CG 4.09Å; F101-M105 HydrophobicContact CE1-CG 3.75Å; F101-M105 HydrophobicContact CE2-CE 3.78Å; F101-M105 HydrophobicContact CE2-CG 3.59Å; F101-M105 HydrophobicContact CE2-SD 3.72Å; F101-M105 HydrophobicContact CG-CG 4.41Å; F101-M105 HydrophobicContact CZ-CE 4.46Å; F101-M105 HydrophobicContact CZ-CG 3.4Å; F101-M105 VanDerWaalsContact CZ-CG 3.4Å; F101-M105 HydrophobicContact CZ-SD 3.81Å; F101-M105 WeakPolarHBondContact O-CG 3.46Å; F101-M105 PolarHBondContact O-N 3.3Å
102C97.7Very high97.3Very high15 Ų1563.4 Ų63.410%0.10130%0.3CS..Hα-helixtrans-57.2-48.2176-69.60000112L31 F98 D99 R100 L104 M105 V106L31-C102 HydrophobicContact CB-CB 3.93Å; L31-C102 HydrophobicContact CD2-CB 4.31Å; F98-C102 VanDerWaalsContact CE1-SG 3.54Å; F98-C102 WeakPolarHBondContact CZ-SG 3.4Å; F98-C102 PolarHBondContact O-N 3.34Å; F98-C102 PolarHBondContact O-SG 2.7Å; F98-C102 VanDerWaalsContact O-SG 3.32Å; D99-C102 WeakPolarHBondContact O-CB 3.48Å; D99-C102 PolarHBondContact O-N 3.18Å; R100-C102 VanDerWaalsContact C-N 3.34Å; C102-L104 VanDerWaalsContact C-N 3.35Å; C102-L104 PolarHBondContact O-N 3.28Å; C102-M105 PolarHBondContact O-N 3.45Å; C102-V106 WeakPolarHBondContact O-CG2 3.45Å; C102-V106 PolarHBondContact O-N 3.31Å
103G97Very high97.4Very high42 Ų4263.9 Ų63.943%0.43330%0.304SS..Hα-helixtrans-58.9-43.8176.500000112.9D99 R100 F101 M105 V106 Q107D99-G103 PolarHBondContact O-N 2.83Å; R100-G103 PolarHBondContact O-N 2.85Å; F101-G103 PolarHBondContact O-N 2.59Å; G103-M105 PolarHBondContact O-N 3.34Å; G103-V106 PolarHBondContact O-N 2.91Å; G103-Q107 PolarHBondContact O-N 3.44Å
104L97.7Very high97.4Very high30 Ų3053.7 Ų53.716%0.15727%0.267CS..Hα-helixtrans-60.6-45.2176.317965.1000112.1I94 P95 R100 F101 C102 Q107 L108 I114 L125I94-L104 HydrophobicContact CD1-CD2 4.46Å; P95-L104 HydrophobicContact CG-CD2 3.97Å; R100-L104 WeakPolarHBondContact O-CB 3.49Å; R100-L104 PolarHBondContact O-N 3.22Å; F101-L104 WeakPolarHBondContact O-CB 2.96Å; F101-L104 PolarHBondContact O-N 2.64Å; C102-L104 VanDerWaalsContact C-N 3.35Å; C102-L104 PolarHBondContact O-N 3.28Å; L104-Q107 PolarHBondContact O-N 2.97Å; L104-L108 WeakPolarHBondContact O-CB 3.29Å; L104-L108 PolarHBondContact O-N 2.89Å; L104-I114 HydrophobicContact CD1-CB 4.43Å; L104-I114 HydrophobicContact CD1-CD1 4.07Å; L104-I114 HydrophobicContact CD1-CG1 3.85Å; L104-I114 HydrophobicContact CD1-CG2 3.91Å; L104-L125 HydrophobicContact CD1-CD1 4.25Å; L104-L125 HydrophobicContact CD2-CD1 3.83Å; L104-L125 HydrophobicContact CG-CD1 3.98Å
105M98.4Very high97.3Very high2 Ų257.3 Ų57.31%0.0128%0.283CS..Hα-helixtrans-66.1-40178.8-67.9-59.1100.300112L18 L31 F101 C102 G103 L108 L109 L125L18-M105 HydrophobicContact CD1-SD 3.97Å; L18-M105 HydrophobicContact CD2-CG 4.26Å; L31-M105 HydrophobicContact CD1-CB 3.87Å; L31-M105 HydrophobicContact CD2-CB 4.15Å; F101-M105 HydrophobicContact CD1-CG 4.24Å; F101-M105 HydrophobicContact CD2-CE 4.23Å; F101-M105 HydrophobicContact CD2-CG 4.09Å; F101-M105 HydrophobicContact CE1-CG 3.75Å; F101-M105 HydrophobicContact CE2-CE 3.78Å; F101-M105 HydrophobicContact CE2-CG 3.59Å; F101-M105 HydrophobicContact CE2-SD 3.72Å; F101-M105 HydrophobicContact CG-CG 4.41Å; F101-M105 HydrophobicContact CZ-CE 4.46Å; F101-M105 HydrophobicContact CZ-CG 3.4Å; F101-M105 VanDerWaalsContact CZ-CG 3.4Å; F101-M105 HydrophobicContact CZ-SD 3.81Å; F101-M105 WeakPolarHBondContact O-CG 3.46Å; F101-M105 PolarHBondContact O-N 3.3Å; C102-M105 PolarHBondContact O-N 3.45Å; G103-M105 PolarHBondContact O-N 3.34Å; M105-L108 HydrophobicContact CE-CD2 4.26Å; M105-L108 PolarHBondContact O-N 3.07Å; M105-L108 HydrophobicContact SD-CD2 4.31Å; M105-L109 VanDerWaalsContact O-CG 3.29Å; M105-L109 WeakPolarHBondContact O-CG 3.05Å; M105-L109 PolarHBondContact O-N 3.29Å; M105-L125 HydrophobicContact CE-CD1 3.67Å
106V97.7Very high96.9Very high15 Ų1557.4 Ų57.49%0.09129%0.286CS..Hα-helixtrans-59.8-49173171.60000110.3F29 L31 C102 G103 L108 L109 H110F29-V106 HydrophobicContact CB-CG1 3.69Å; L31-V106 HydrophobicContact CB-CG2 3.95Å; L31-V106 HydrophobicContact CD1-CG2 4.3Å; C102-V106 WeakPolarHBondContact O-CG2 3.45Å; C102-V106 PolarHBondContact O-N 3.31Å; G103-V106 PolarHBondContact O-N 2.91Å; V106-L108 VanDerWaalsContact C-N 3.28Å; V106-L108 PolarHBondContact O-N 3.17Å; V106-L109 PolarHBondContact O-N 3.38Å; V106-H110 PolarHBondContact O-CD2 2.88Å; V106-H110 PolarHBondContact O-N 3.02Å; V106-H110 VanDerWaalsContact O-N 3.12Å
107Q97Very high96.2Very high86 Ų8660.7 Ų60.740%0.40231%0.307SS..Hα-helixtrans-58.9-42.1178.3-175.6179-22.400111.7G103 L104 H110 K111 I114G103-Q107 PolarHBondContact O-N 3.44Å; L104-Q107 PolarHBondContact O-N 2.97Å; Q107-H110 PolarHBondContact O-N 3.34Å; Q107-K111 HydrophobicContact CG-CD 3.8Å; Q107-K111 HydrophobicContact CG-CG 4.3Å; Q107-K111 WeakPolarHBondContact O-CB 3.38Å; Q107-K111 PolarHBondContact O-N 2.97Å; Q107-I114 HydrophobicContact CB-CD1 3.93Å; Q107-I114 HydrophobicContact CG-CD1 3.55Å
108L98.2Very high95.1Very high0 Ų060.8 Ų60.80%032%0.321CS..Hα-helixtrans-61.8-47.5177.4171.163.9000111.7I86 L104 M105 V106 H110 K111 L112 I114 L125 V127I86-L108 HydrophobicContact CB-CD2 4.44Å; I86-L108 HydrophobicContact CD1-CD2 3.74Å; I86-L108 HydrophobicContact CG1-CD2 3.95Å; I86-L108 HydrophobicContact CG2-CD2 3.64Å; L104-L108 WeakPolarHBondContact O-CB 3.29Å; L104-L108 PolarHBondContact O-N 2.89Å; M105-L108 HydrophobicContact CE-CD2 4.26Å; M105-L108 PolarHBondContact O-N 3.07Å; M105-L108 HydrophobicContact SD-CD2 4.31Å; V106-L108 VanDerWaalsContact C-N 3.28Å; V106-L108 PolarHBondContact O-N 3.17Å; L108-H110 PolarHBondContact O-N 3.08Å; L108-K111 PolarHBondContact O-N 3.33Å; L108-L112 WeakPolarHBondContact O-CA 3.24Å; L108-L112 PolarHBondContact O-N 3.12Å; L108-I114 HydrophobicContact CB-CD1 4.19Å; L108-I114 HydrophobicContact CB-CG1 3.9Å; L108-I114 HydrophobicContact CD1-CG1 4.18Å; L108-L125 HydrophobicContact CD1-CB 3.79Å; L108-L125 HydrophobicContact CD2-CB 3.93Å; L108-L125 HydrophobicContact CD2-CD1 4.25Å; L108-L125 HydrophobicContact CG-CB 4.41Å; L108-V127 HydrophobicContact CD1-CG2 4.26Å; L108-V127 HydrophobicContact CG-CG2 4.41Å
109L97.8Very high93.6Very high36 Ų3661.4 Ų61.419%0.18834%0.342CS..Hα-helixtrans-65.2-29.6-177.7-70.7174.1000112.5L31 V84 M105 V106L31-L109 HydrophobicContact CD1-CD1 4.24Å; V84-L109 HydrophobicContact CG1-CD2 4.24Å; M105-L109 VanDerWaalsContact O-CG 3.29Å; M105-L109 WeakPolarHBondContact O-CG 3.05Å; M105-L109 PolarHBondContact O-N 3.29Å; V106-L109 PolarHBondContact O-N 3.38Å
110H96.3Very high92.6Very high93 Ų9362.7 Ų62.743%0.43135%0.349SS..Hα-helixtrans-85.6-41.2177.2-78-108.8000113.2S20 F29 V106 Q107 L108S20-H110 PolarHBondContact OG-NE2 3.49Å; F29-H110 AromaticContact CD1-CE1 3.47Å; F29-H110 VanDerWaalsContact CD1-CE1 3.47Å; F29-H110 WeakPolarHBondContact CD1-CE1 3.44Å; F29-H110 AromaticContact CD1-NE2 3.52Å; F29-H110 AromaticContact CD2-CE1 3.55Å; F29-H110 AromaticContact CE1-CE1 3.62Å; F29-H110 AromaticContact CE2-CE1 3.69Å; F29-H110 AromaticContact CG-CE1 3.43Å; F29-H110 VanDerWaalsContact CG-CE1 3.43Å; F29-H110 WeakPolarHBondContact CG-CE1 3.28Å; F29-H110 AromaticContact CG-NE2 3.53Å; F29-H110 AromaticContact CZ-CE1 3.73Å; V106-H110 PolarHBondContact O-CD2 2.88Å; V106-H110 PolarHBondContact O-N 3.02Å; V106-H110 VanDerWaalsContact O-N 3.12Å; Q107-H110 PolarHBondContact O-N 3.34Å; L108-H110 PolarHBondContact O-N 3.08Å
111K96.6Very high91.9Very high138 Ų13865.4 Ų65.460%0.636%0.359SS*.Hα-helixtrans-92-6.3-176.6-63.1-172-178.9176.30113.9Q107 L108 S113Q107-K111 HydrophobicContact CG-CD 3.8Å; Q107-K111 HydrophobicContact CG-CG 4.3Å; Q107-K111 WeakPolarHBondContact O-CB 3.38Å; Q107-K111 PolarHBondContact O-N 2.97Å; L108-K111 PolarHBondContact O-N 3.33Å; K111-S113 PolarHBondContact O-N 2.93Å
112L97.4Very high91.7Very high101 Ų10168.2 Ų68.253%0.52937%0.372SS..SBendtrans60.4-4.1-175.5-50.2179.5000115.2L108 V127L108-L112 WeakPolarHBondContact O-CA 3.24Å; L108-L112 PolarHBondContact O-N 3.12Å; L112-V127 HydrophobicContact CB-CB 4.25Å; L112-V127 HydrophobicContact CD2-CB 4.24Å; L112-V127 HydrophobicContact CD2-CG1 4.38Å; L112-V127 HydrophobicContact CD2-CG2 4.23Å; L112-V127 PolarHBondContact O-N 3.25Å
113S97.1Very high91.6Very high19 Ų1972.1 Ų72.113%0.13339%0.388CS..EExtended strand (participates in β ladder)trans-159.9152.617454.40000112.2K111 H115 L125K111-S113 PolarHBondContact O-N 2.93Å; S113-H115 PolarHBondContact OG-CE1 3.15Å; S113-L125 CarbonylContact C-O 3.57Å; S113-L125 WeakPolarHBondContact CA-O 3.29Å
114I96.7Very high91.6Very high16 Ų1671.6 Ų71.68%0.08238%0.375CS..EExtended strand (participates in β ladder)trans-118.6135.2170.6-56.2-62.9000107.9L104 Q107 L108 K123 L124 L125L104-I114 HydrophobicContact CD1-CB 4.43Å; L104-I114 HydrophobicContact CD1-CD1 4.07Å; L104-I114 HydrophobicContact CD1-CG1 3.85Å; L104-I114 HydrophobicContact CD1-CG2 3.91Å; Q107-I114 HydrophobicContact CB-CD1 3.93Å; Q107-I114 HydrophobicContact CG-CD1 3.55Å; L108-I114 HydrophobicContact CB-CD1 4.19Å; L108-I114 HydrophobicContact CB-CG1 3.9Å; L108-I114 HydrophobicContact CD1-CG1 4.18Å; I114-K123 CarbonylContact O-C 3.6Å; I114-K123 WeakPolarHBondContact O-CA 3.43Å; I114-L124 PolarHBondContact O-N 3.46Å; I114-L125 HydrophobicContact CB-CB 4.08Å; I114-L125 HydrophobicContact CB-CD1 4.48Å; I114-L125 HydrophobicContact CG1-CB 4.13Å; I114-L125 HydrophobicContact CG1-CD1 4.19Å; I114-L125 PolarHBondContact N-O 3.5Å; I114-L125 PolarHBondContact O-N 3.2Å
115H94.4Very high91.6Very high86 Ų8670.3 Ų70.340%0.39837%0.368SS..EExtended strand (participates in β ladder)trans-108.1153.6-178.9-59.681000110.6S113 R121 E122 K123S113-H115 PolarHBondContact OG-CE1 3.15Å; H115-R121 PolarHBondContact CD2-O 3.44Å; H115-E122 CarbonylContact C-O 3.38Å; H115-E122 VanDerWaalsContact CA-O 3.24Å; H115-E122 WeakPolarHBondContact CA-O 3.4Å; H115-K123 WeakPolarHBondContact NE2-CE 3.46Å
116A90.3Very high91.6Very high26 Ų2674 Ų7422%0.21538%0.384CS..  trans-62.5145.3169.400000111.3E122 L124A116-E122 HydrophobicContact CB-CB 4.47Å; A116-E122 PolarHBondContact N-O 3.28Å; A116-L124 HydrophobicContact CB-CD1 4.02Å; A116-L124 HydrophobicContact CB-CD2 4.35Å; A116-L124 HydrophobicContact CB-CG 4.11Å
117E84.1Confident91.6Very high196 Ų19675 Ų7592%0.91639%0.39SS*.THydrogen-bonded Turntrans-67.9144.4165.9-66-179.6175.100109
118G74.9Confident91.7Very high69 Ų6971.5 Ų71.571%0.71138%0.375SS*.THydrogen-bonded Turntrans108.73.917700000116.9N120G118-N120 PolarHBondContact O-OD1 2.97Å; G118-N120 VanDerWaalsContact O-OD1 3.05Å
119G65.3Low91.7Very high66 Ų6678.8 Ų78.868%0.6841%0.407SS*.SBendtrans92.8-9.7165.200000116.2R121G119-R121 PolarHBondContact O-N 2.98Å
120N74.6Confident91.6Very high125 Ų12580.3 Ų80.367%0.66842%0.415SS*.  trans-66.6-7.9-177-43.623.6000113.2G118 E122G118-N120 PolarHBondContact O-OD1 2.97Å; G118-N120 VanDerWaalsContact O-OD1 3.05Å; N120-E122 PolarHBondContact O-N 3.46Å
121R82.9Confident91.7Very high212 Ų21279.5 Ų79.580%0.842%0.418SS*.  trans48.521.3-174.2-67.1-176.3175.8150.2-0.7114.1H115 G119 K123H115-R121 PolarHBondContact CD2-O 3.44Å; G119-R121 PolarHBondContact O-N 2.98Å; R121-K123 PolarHBondContact O-N 3.44Å
122E92.7Very high91.7Very high59 Ų5973.1 Ų73.128%0.27639%0.39SS..  trans-66.6126.2174.5-174.2172.6-152.200108.6N89 K91 H115 A116 N120 L124N89-E122 PolarHBondContact ND2-OE1 3.35Å; K91-E122 IonicContact NZ-OE1 2.59Å; K91-E122 PolarHBondContact NZ-OE1 3.06Å; K91-E122 IonicContact NZ-OE2 2.7Å; K91-E122 PolarHBondContact NZ-OE2 3.03Å; H115-E122 CarbonylContact C-O 3.38Å; H115-E122 VanDerWaalsContact CA-O 3.24Å; H115-E122 WeakPolarHBondContact CA-O 3.4Å; A116-E122 HydrophobicContact CB-CB 4.47Å; A116-E122 PolarHBondContact N-O 3.28Å; N120-E122 PolarHBondContact O-N 3.46Å; E122-L124 PolarHBondContact O-N 2.93Å
123K95.6Very high91.7Very high97 Ų9770.9 Ų70.942%0.42238%0.381SS..EExtended strand (participates in β ladder)trans-81.3116.6177.2-69.4179.3-179.2179.40108.5N89 I114 H115 R121 K126N89-K123 PolarHBondContact ND2-O 2.86Å; I114-K123 CarbonylContact O-C 3.6Å; I114-K123 WeakPolarHBondContact O-CA 3.43Å; H115-K123 WeakPolarHBondContact NE2-CE 3.46Å; R121-K123 PolarHBondContact O-N 3.44Å; K123-K126 HydrophobicContact CD-CD 4.02Å; K123-K126 HydrophobicContact CD-CG 4.33Å
124L97Very high91.6Very high32 Ų3276.5 Ų76.517%0.16840%0.399CS..EExtended strand (participates in β ladder)trans-84.3-42.1176.7-65.9-178.8000111N89 K91 T92 I114 A116 E122N89-L124 HydrophobicContact CB-CD2 4.48Å; N89-L124 WeakPolarHBondContact CB-O 3.32Å; N89-L124 PolarHBondContact N-O 2.81Å; K91-L124 HydrophobicContact CB-CD2 4.37Å; T92-L124 HydrophobicContact CG2-CB 4.37Å; T92-L124 PolarHBondContact OG1-O 3Å; I114-L124 PolarHBondContact O-N 3.46Å; A116-L124 HydrophobicContact CB-CD1 4.02Å; A116-L124 HydrophobicContact CB-CD2 4.35Å; A116-L124 HydrophobicContact CB-CG 4.11Å; E122-L124 PolarHBondContact O-N 2.93Å
125L98.2Very high91.6Very high2 Ų277.6 Ų77.61%0.0140%0.404CS..EExtended strand (participates in β ladder)trans-128.5140.3174-63.3166.1000108.6I86 V88 T92 L104 M105 L108 S113 I114I86-L125 HydrophobicContact CG2-CD2 4.35Å; V88-L125 HydrophobicContact CB-CD2 4.12Å; V88-L125 HydrophobicContact CG1-CD2 3.87Å; V88-L125 HydrophobicContact CG2-CD2 3.82Å; T92-L125 HydrophobicContact CG2-CD1 4.45Å; T92-L125 HydrophobicContact CG2-CD2 4.18Å; T92-L125 HydrophobicContact CG2-CG 4.13Å; L104-L125 HydrophobicContact CD1-CD1 4.25Å; L104-L125 HydrophobicContact CD2-CD1 3.83Å; L104-L125 HydrophobicContact CG-CD1 3.98Å; M105-L125 HydrophobicContact CE-CD1 3.67Å; L108-L125 HydrophobicContact CD1-CB 3.79Å; L108-L125 HydrophobicContact CD2-CB 3.93Å; L108-L125 HydrophobicContact CD2-CD1 4.25Å; L108-L125 HydrophobicContact CG-CB 4.41Å; S113-L125 CarbonylContact C-O 3.57Å; S113-L125 WeakPolarHBondContact CA-O 3.29Å; I114-L125 HydrophobicContact CB-CB 4.08Å; I114-L125 HydrophobicContact CB-CD1 4.48Å; I114-L125 HydrophobicContact CG1-CB 4.13Å; I114-L125 HydrophobicContact CG1-CD1 4.19Å; I114-L125 PolarHBondContact N-O 3.5Å; I114-L125 PolarHBondContact O-N 3.2Å
126K98.1Very high91.7Very high79 Ų7974.8 Ų74.834%0.34339%0.39SS..EExtended strand (participates in β ladder)trans-147.7130.3-177.6-178.2-175169.4-163.20111I86 E87 K123 V128I86-K126 CarbonylContact C-O 3.53Å; I86-K126 WeakPolarHBondContact CA-O 3.32Å; E87-K126 PolarHBondContact N-O 2.91Å; E87-K126 PolarHBondContact O-N 3.23Å; E87-K126 VanDerWaalsContact O-N 3.07Å; K123-K126 HydrophobicContact CD-CD 4.02Å; K123-K126 HydrophobicContact CD-CG 4.33Å; K126-V128 HydrophobicContact CD-CG1 4.06Å; K126-V128 HydrophobicContact CG-CG1 4.05Å; K126-V128 PolarHBondContact O-N 2.86Å
127V98.5Very high92Very high36 Ų3674.4 Ų74.422%0.21839%0.386CS..EExtended strand (participates in β ladder)trans-72.6125.3166.2175.90000108.3V84 I85 I86 L108 L112V84-V127 HydrophobicContact CG1-CB 4.47Å; V84-V127 HydrophobicContact CG1-CG1 3.68Å; V84-V127 HydrophobicContact CG1-CG2 4Å; I85-V127 CarbonylContact O-C 3.6Å; I85-V127 VanDerWaalsContact O-CA 3.32Å; I85-V127 WeakPolarHBondContact O-CA 3.23Å; I86-V127 HydrophobicContact CG1-CG2 4.36Å; L108-V127 HydrophobicContact CD1-CG2 4.26Å; L108-V127 HydrophobicContact CG-CG2 4.41Å; L112-V127 HydrophobicContact CB-CB 4.25Å; L112-V127 HydrophobicContact CD2-CB 4.24Å; L112-V127 HydrophobicContact CD2-CG1 4.38Å; L112-V127 HydrophobicContact CD2-CG2 4.23Å; L112-V127 PolarHBondContact O-N 3.25Å
128V98.3Very high92.4Very high13 Ų1373.5 Ų73.58%0.07939%0.386CS..EExtended strand (participates in β ladder)trans-117.8159.5-178.3-62.40000111F77 I85 E87 K126 H135F77-V128 HydrophobicContact CE1-CG2 4.46Å; I85-V128 HydrophobicContact CB-CG2 3.76Å; I85-V128 HydrophobicContact CG2-CG2 3.39Å; I85-V128 PolarHBondContact O-N 3.28Å; E87-V128 HydrophobicContact CB-CG1 3.8Å; E87-V128 HydrophobicContact CB-CG2 4.41Å; E87-V128 WeakPolarHBondContact OE2-CG1 3.37Å; K126-V128 HydrophobicContact CD-CG1 4.06Å; K126-V128 HydrophobicContact CG-CG1 4.05Å; K126-V128 PolarHBondContact O-N 2.86Å; V128-H135 VanDerWaalsContact CG2-NE2 3.31Å; V128-H135 WeakPolarHBondContact CG2-NE2 3.29Å
129K98.1Very high93.2Very high154 Ų15473.5 Ų73.567%0.6739%0.385SS*.PPolyproline II helixtrans-73.2150-176.2-72.4-179.3179.8-174.20111.3R134 H135K129-R134 VanDerWaalsContact O-CD 3.31Å; K129-R134 WeakPolarHBondContact O-CD 3.49Å; K129-R134 PolarHBondContact O-NE 3.01Å; K129-H135 PolarHBondContact O-NE2 2.81Å
130N97.4Very high94.6Very high67 Ų6770.9 Ų70.936%0.35836%0.357SS..SBendtrans-71.8163.3167.3-78.7-69.7000112.3N83 I85N83-N130 PolarHBondContact O-ND2 2.88Å; N83-N130 PolarHBondContact OD1-OD1 3.15Å; I85-N130 HydrophobicContact CD1-CB 4.26Å; I85-N130 WeakPolarHBondContact CD1-OD1 3.46Å
131P96.9Very high95.6Very high77 Ų7766.1 Ų66.150%0.533%0.333SS..PPolyproline II helixcis-71.2163.7-12.332.7-36.2000111.6T133 R134P131-T133 VanDerWaalsContact C-N 3.26Å; P131-T133 PolarHBondContact O-N 3.43Å; P131-R134 VanDerWaalsContact O-CD 3.26Å; P131-R134 WeakPolarHBondContact O-CD 3.39Å; P131-R134 WeakPolarHBondContact O-CG 3.34Å; P131-R134 PolarHBondContact O-N 2.89Å
132V96.8Very high96.4Very high3 Ų356.4 Ų56.42%0.01830%0.297CS..G310 helixtrans-65-32.2-179.268.50000112.7L12 I85 R134 H135 F136 F189L12-V132 HydrophobicContact CD1-CG2 3.98Å; L12-V132 HydrophobicContact CD2-CG1 4.04Å; L12-V132 HydrophobicContact CD2-CG2 4.23Å; I85-V132 VanDerWaalsContact CD1-CA 3.46Å; I85-V132 HydrophobicContact CD1-CB 3.65Å; I85-V132 HydrophobicContact CD1-CG2 4.22Å; I85-V132 HydrophobicContact CG1-CB 4.17Å; I85-V132 HydrophobicContact CG1-CG2 4.41Å; I85-V132 HydrophobicContact CG2-CG2 4.04Å; V132-R134 PolarHBondContact O-N 3.19Å; V132-R134 VanDerWaalsContact O-N 3.11Å; V132-H135 PolarHBondContact O-CD2 3.14Å; V132-H135 PolarHBondContact O-N 2.93Å; V132-F136 HydrophobicContact CG1-CE2 4.48Å; V132-F136 HydrophobicContact CG1-CZ 3.89Å; V132-F136 HydrophobicContact CG2-CE1 3.87Å; V132-F136 HydrophobicContact CG2-CZ 4.05Å; V132-F189 HydrophobicContact CG1-CE1 4Å; V132-F189 HydrophobicContact CG1-CZ 4.01Å
133T96.9Very high96.6Very high54 Ų5453.8 Ų53.833%0.33129%0.285SS..G310 helixtrans-59-24.5-17950.60000114.3P131 H135 F136 F189P131-T133 VanDerWaalsContact C-N 3.26Å; P131-T133 PolarHBondContact O-N 3.43Å; T133-H135 PolarHBondContact O-N 2.81Å; T133-H135 VanDerWaalsContact O-N 3.16Å; T133-F136 HydrophobicContact CG2-CD2 4.07Å; T133-F136 HydrophobicContact CG2-CE2 3.84Å; T133-F136 WeakPolarHBondContact O-CB 3.45Å; T133-F136 PolarHBondContact O-N 3.04Å; T133-F136 VanDerWaalsContact O-N 3.12Å; T133-F189 HydrophobicContact CG2-CB 3.43Å; T133-F189 VanDerWaalsContact CG2-CB 3.43Å; T133-F189 HydrophobicContact CG2-CD1 3.6Å; T133-F189 HydrophobicContact CG2-CD2 4.24Å; T133-F189 HydrophobicContact CG2-CE1 4.4Å; T133-F189 HydrophobicContact CG2-CG 3.5Å; T133-F189 VanDerWaalsContact CG2-CG 3.5Å
134R96.7Very high96.8Very high138 Ų13849.1 Ų49.152%0.52127%0.265SS..G310 helixtrans-64.4-17.6176.780.6-172.3-128.6146.613.7113.6K129 P131 V132K129-R134 VanDerWaalsContact O-CD 3.31Å; K129-R134 WeakPolarHBondContact O-CD 3.49Å; K129-R134 PolarHBondContact O-NE 3.01Å; P131-R134 VanDerWaalsContact O-CD 3.26Å; P131-R134 WeakPolarHBondContact O-CD 3.39Å; P131-R134 WeakPolarHBondContact O-CG 3.34Å; P131-R134 PolarHBondContact O-N 2.89Å; V132-R134 PolarHBondContact O-N 3.19Å; V132-R134 VanDerWaalsContact O-N 3.11Å
135H96.5Very high96.8Very high38 Ų3848.5 Ų48.518%0.17626%0.261CS..G310 helixtrans-104.73.5-179.2-48-80000111.7F77 V128 K129 V132 T133F77-H135 HydrophobicContact CE1-CB 3.7Å; F77-H135 HydrophobicContact CE2-CB 4.21Å; F77-H135 HydrophobicContact CZ-CB 3.51Å; V128-H135 VanDerWaalsContact CG2-NE2 3.31Å; V128-H135 WeakPolarHBondContact CG2-NE2 3.29Å; K129-H135 PolarHBondContact O-NE2 2.81Å; V132-H135 PolarHBondContact O-CD2 3.14Å; V132-H135 PolarHBondContact O-N 2.93Å; T133-H135 PolarHBondContact O-N 2.81Å; T133-H135 VanDerWaalsContact O-N 3.16Å
136F96.4Very high96.8Very high27 Ų2749.1 Ų49.112%0.11827%0.266CS..SBendtrans-82.9150.7172.2-60.8-15.2000110L12 V132 T133 V142 V171 F189L12-F136 HydrophobicContact CD2-CZ 4.11Å; V132-F136 HydrophobicContact CG1-CE2 4.48Å; V132-F136 HydrophobicContact CG1-CZ 3.89Å; V132-F136 HydrophobicContact CG2-CE1 3.87Å; V132-F136 HydrophobicContact CG2-CZ 4.05Å; T133-F136 HydrophobicContact CG2-CD2 4.07Å; T133-F136 HydrophobicContact CG2-CE2 3.84Å; T133-F136 WeakPolarHBondContact O-CB 3.45Å; T133-F136 PolarHBondContact O-N 3.04Å; T133-F136 VanDerWaalsContact O-N 3.12Å; F136-V142 HydrophobicContact CD2-CG2 4.07Å; F136-V142 HydrophobicContact CE2-CG1 4.5Å; F136-V142 HydrophobicContact CE2-CG2 4.19Å; F136-V171 HydrophobicContact CB-CG2 3.99Å; F136-V171 HydrophobicContact CD1-CG1 4.23Å; F136-V171 HydrophobicContact CD1-CG2 4Å; F136-V171 HydrophobicContact CD2-CG1 4.34Å; F136-V171 HydrophobicContact CD2-CG2 3.97Å; F136-V171 HydrophobicContact CE1-CG1 3.88Å; F136-V171 HydrophobicContact CE1-CG2 4.49Å; F136-V171 HydrophobicContact CE2-CG1 4.01Å; F136-V171 HydrophobicContact CE2-CG2 4.46Å; F136-V171 HydrophobicContact CG-CG1 4.47Å; F136-V171 HydrophobicContact CG-CG2 3.73Å; F136-V171 HydrophobicContact CZ-CG1 3.77Å; F136-F189 HydrophobicContact CE2-CD2 4.16Å; F136-F189 HydrophobicContact CE2-CE2 4.3Å
137P95.5Very high96.7Very high18 Ų1850.9 Ų50.912%0.11727%0.274CS..PPolyproline II helixtrans-60.6145.9170.6-1931.2000110.9Y10 G139 A140Y10-P137 HydrophobicContact CD1-CG 4.4Å; Y10-P137 HydrophobicContact CD2-CG 3.61Å; Y10-P137 HydrophobicContact CE1-CG 3.98Å; Y10-P137 HydrophobicContact CE2-CG 3.1Å; Y10-P137 HydrophobicContact CG-CG 4.26Å; P137-G139 PolarHBondContact O-N 2.89Å; P137-A140 HydrophobicContact CB-CB 4Å; P137-A140 HydrophobicContact CG-CB 4.25Å; P137-A140 WeakPolarHBondContact O-CB 3.48Å; P137-A140 PolarHBondContact O-N 2.96Å
138I92.5Very high96.5Very high178 Ų17853.7 Ų53.791%0.91330%0.295SS*.THydrogen-bonded Turntrans-63.9129.3179.3-61172.4000108.9A140I138-A140 PolarHBondContact O-N 3.27Å
139G92.4Very high96.4Very high68 Ų6854.1 Ų54.170%0.70130%0.299SS*.THydrogen-bonded Turntrans76.6-2.8177.600000115.4P137P137-G139 PolarHBondContact O-N 2.89Å
140A95.3Very high96.3Very high11 Ų1156.9 Ų56.99%0.09131%0.311CS..  trans-63.6131.4179.100000111.3P137 I138 S169 V171P137-A140 HydrophobicContact CB-CB 4Å; P137-A140 HydrophobicContact CG-CB 4.25Å; P137-A140 WeakPolarHBondContact O-CB 3.48Å; P137-A140 PolarHBondContact O-N 2.96Å; I138-A140 PolarHBondContact O-N 3.27Å; A140-S169 WeakPolarHBondContact CA-O 3.45Å; A140-S169 WeakPolarHBondContact CB-O 3.41Å; A140-V171 HydrophobicContact CB-CG2 4.27Å
141P95.9Very high96.3Very high25 Ų2557.5 Ų57.516%0.16231%0.311CS..  trans-65.6143.4174.322.7-30.2000111.6S169 V170 V171P141-S169 WeakPolarHBondContact CD-O 3.38Å; P141-V170 HydrophobicContact CG-CB 4.27Å; P141-V170 HydrophobicContact CG-CG2 4.05Å; P141-V171 PolarHBondContact O-N 3.29Å
142V98Very high96.3Very high8 Ų859.3 Ų59.35%0.04831%0.313CS..EExtended strand (participates in β ladder)trans-113.2111.8177.7-1690000110.8F136 V171 V173 F189 Q191 R192F136-V142 HydrophobicContact CD2-CG2 4.07Å; F136-V142 HydrophobicContact CE2-CG1 4.5Å; F136-V142 HydrophobicContact CE2-CG2 4.19Å; V142-V171 WeakPolarHBondContact CA-O 3.34Å; V142-V171 HydrophobicContact CB-CB 4.36Å; V142-V171 HydrophobicContact CG1-CB 4.09Å; V142-V171 HydrophobicContact CG1-CG1 4.04Å; V142-V171 HydrophobicContact CG2-CB 4.07Å; V142-V171 HydrophobicContact CG2-CG2 4.31Å; V142-V173 HydrophobicContact CG1-CG2 3.74Å; V142-F189 WeakPolarHBondContact CB-O 3.14Å; V142-F189 HydrophobicContact CG1-CD2 3.85Å; V142-F189 HydrophobicContact CG1-CE2 4.17Å; V142-Q191 PolarHBondContact O-N 3.03Å; V142-R192 PolarHBondContact O-N 3.01Å
143I98.3Very high96.4Very high4 Ų459.6 Ų59.62%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-115.7121.8-173.6-48.4-179.7000109.3M145 L158 T162 V170 V171 I172 V173 R192 V194I143-M145 HydrophobicContact CB-CE 4.42Å; I143-M145 HydrophobicContact CG2-CE 3.63Å; I143-L158 HydrophobicContact CD1-CD1 3.83Å; I143-L158 HydrophobicContact CG2-CD1 4.46Å; I143-T162 HydrophobicContact CD1-CG2 3.72Å; I143-V170 HydrophobicContact CD1-CG2 4.04Å; I143-V170 HydrophobicContact CG1-CG2 4.32Å; I143-V171 PolarHBondContact N-O 3.48Å; I143-I172 HydrophobicContact CB-CD1 3.85Å; I143-I172 HydrophobicContact CD1-CD1 4.31Å; I143-I172 HydrophobicContact CG1-CD1 4.4Å; I143-I172 CarbonylContact O-C 3.57Å; I143-I172 WeakPolarHBondContact O-CA 3.42Å; I143-V173 PolarHBondContact O-N 3.27Å; I143-R192 WeakPolarHBondContact CA-O 3.32Å; I143-R192 HydrophobicContact CG1-CB 4.37Å; I143-R192 HydrophobicContact CG2-CB 4.24Å; I143-R192 HydrophobicContact CG2-CG 4.49Å; I143-V194 HydrophobicContact CG2-CG1 4.34Å; I143-V194 HydrophobicContact CG2-CG2 3.89Å
144T98.2Very high96.4Very high0 Ų064.5 Ų64.50%033%0.331CS..EExtended strand (participates in β ladder)trans-95.5131.7179.9-61.50000111V173 V182 V183 I190 R192 T193 V194T144-V173 HydrophobicContact CG2-CB 4.37Å; T144-V182 HydrophobicContact CG2-CG2 3.69Å; T144-V183 HydrophobicContact CG2-CG2 4.04Å; T144-I190 WeakPolarHBondContact OG1-CG2 3.46Å; T144-R192 PolarHBondContact N-O 2.78Å; T144-T193 CarbonylContact O-C 3.58Å; T144-T193 VanDerWaalsContact O-CA 3.28Å; T144-T193 WeakPolarHBondContact O-CA 3.38Å; T144-V194 PolarHBondContact O-N 3.36Å
145M98.1Very high96.5Very high19 Ų1959 Ų599%0.09431%0.314CS..EExtended strand (participates in β ladder)trans-81.8123.6172-59.2-61.795.800109.8I143 L158 I172 V173 I174 V194 I196 T206 I210I143-M145 HydrophobicContact CB-CE 4.42Å; I143-M145 HydrophobicContact CG2-CE 3.63Å; M145-L158 HydrophobicContact CE-CD2 4.07Å; M145-I172 HydrophobicContact CE-CG2 4.02Å; M145-I172 HydrophobicContact CG-CG2 3.74Å; M145-I172 HydrophobicContact SD-CG2 4.18Å; M145-V173 PolarHBondContact N-O 3.36Å; M145-I174 HydrophobicContact CG-CG1 4.01Å; M145-V194 WeakPolarHBondContact CA-O 3.36Å; M145-V194 HydrophobicContact CE-CG2 3.22Å; M145-V194 HydrophobicContact SD-CG2 4.06Å; M145-I196 HydrophobicContact SD-CG2 3.65Å; M145-T206 HydrophobicContact CB-CG2 4.1Å; M145-T206 HydrophobicContact CG-CG2 3.81Å; M145-I210 HydrophobicContact SD-CD1 4.07Å
146S97.6Very high96.6Very high15 Ų1559.9 Ų59.911%0.10532%0.319CS..  trans-145.5127.1172.4-176.20000111S148 S149 V194 S195S146-S148 PolarHBondContact O-N 3.2Å; S146-S148 PolarHBondContact OG-N 3.04Å; S146-S148 PolarHBondContact OG-OG 3Å; S146-S149 WeakPolarHBondContact O-CB 3.36Å; S146-S149 PolarHBondContact O-N 3.46Å; S146-S149 VanDerWaalsContact O-N 3.12Å; S146-V194 PolarHBondContact N-O 3.28Å; S146-S195 WeakPolarHBondContact O-CA 3.35Å; S146-S195 VanDerWaalsContact O-CB 3.25Å; S146-S195 WeakPolarHBondContact O-CB 2.74Å
147F96.5Very high96.6Very high115 Ų11562.9 Ų62.950%0.50433%0.334SS..THydrogen-bonded Turntrans-60.2-34.8175.3172.6-113.1000112.4S149 P200F147-S149 PolarHBondContact O-N 3.35Å; F147-P200 HydrophobicContact CD1-CB 4.34Å; F147-P200 HydrophobicContact CD2-CB 4.46Å; F147-P200 HydrophobicContact CG-CB 4.32Å
148S95.1Very high96.8Very high95 Ų9562 Ų6266%0.66433%0.328SS*.THydrogen-bonded Turntrans-79.11.9179.460.10000114.1S146 K150S146-S148 PolarHBondContact O-N 3.2Å; S146-S148 PolarHBondContact OG-N 3.04Å; S146-S148 PolarHBondContact OG-OG 3Å; S148-K150 PolarHBondContact O-N 2.95Å
149S96.4Very high97Very high23 Ų2353.5 Ų53.516%0.16128%0.284CS..  trans-65.4137.3175.2-170.20000110.9S146 F147 E151 T193S146-S149 WeakPolarHBondContact O-CB 3.36Å; S146-S149 PolarHBondContact O-N 3.46Å; S146-S149 VanDerWaalsContact O-N 3.12Å; F147-S149 PolarHBondContact O-N 3.35Å; S149-E151 PolarHBondContact OG-N 2.89Å; S149-T193 PolarHBondContact OG-O 3.32Å
150K95.3Very high97.3Very high212 Ų21253.7 Ų53.792%0.92227%0.267SS*.SBendtrans-69.6-26.5171.3-64.6-176.4179.3-179.40111.9S148 Q152S148-K150 PolarHBondContact O-N 2.95Å; K150-Q152 PolarHBondContact O-N 2.82Å
151E97.3Very high97.3Very high79 Ų7957.3 Ų57.337%0.36928%0.282SS..  trans-83.8105.3178.8-174174.9-167.600109.4S149 R192 V194 S195S149-E151 PolarHBondContact OG-N 2.89Å; E151-R192 VanDerWaalsContact CD-NE 3.31Å; E151-R192 IonicContact OE1-CZ 2.82Å; E151-R192 IonicContact OE1-NE 2.89Å; E151-R192 PolarHBondContact OE1-NE 3.3Å; E151-R192 IonicContact OE1-NH2 3.95Å; E151-R192 PolarHBondContact OE1-NH2 3.43Å; E151-R192 WeakPolarHBondContact OE2-CG 3.25Å; E151-R192 IonicContact OE2-NE 3.35Å; E151-R192 PolarHBondContact OE2-NE 3.01Å; E151-V194 HydrophobicContact CB-CG1 4.38Å; E151-V194 HydrophobicContact CG-CG1 3.96Å; E151-V194 CarbonylContact O-C 3.59Å; E151-V194 WeakPolarHBondContact O-CA 3.3Å; E151-S195 PolarHBondContact O-N 3.12Å
152Q96.6Very high97.3Very high115 Ų11556.7 Ų56.754%0.53728%0.278SS..BIsolated β-bridgetrans-98.3130.8174.9-66.9-168.7-26.900110.5K150 S195 N198K150-Q152 PolarHBondContact O-N 2.82Å; Q152-S195 WeakPolarHBondContact CA-O 3.38Å; Q152-N198 VanDerWaalsContact CD-OD1 3.25Å; Q152-N198 PolarHBondContact NE2-OD1 3.41Å; Q152-N198 PolarHBondContact OE1-OD1 3.3Å
153I98.2Very high97.2Very high10 Ų1056.4 Ų56.45%0.05128%0.276CS..  trans-142142-179.8-169165.7000110.3Q157 L158 E161 V194 S195 I196I153-Q157 HydrophobicContact CD1-CB 4.34Å; I153-Q157 HydrophobicContact CD1-CG 4.05Å; I153-Q157 HydrophobicContact CG1-CB 3.95Å; I153-Q157 HydrophobicContact CG1-CG 4.01Å; I153-L158 HydrophobicContact CD1-CB 3.91Å; I153-L158 HydrophobicContact CD1-CD1 4.2Å; I153-L158 HydrophobicContact CG1-CB 4.19Å; I153-L158 HydrophobicContact CG2-CB 4.09Å; I153-L158 HydrophobicContact CG2-CD1 4.41Å; I153-E161 VanDerWaalsContact CD1-CD 3.46Å; I153-E161 WeakPolarHBondContact CD1-OE1 3.38Å; I153-E161 WeakPolarHBondContact CD1-OE2 3.45Å; I153-V194 HydrophobicContact CG2-CB 3.72Å; I153-V194 HydrophobicContact CG2-CG1 4.1Å; I153-V194 HydrophobicContact CG2-CG2 3.77Å; I153-S195 PolarHBondContact N-O 3.32Å; I153-I196 HydrophobicContact CG2-CG2 4.46Å; I153-I196 VanDerWaalsContact O-CA 3.32Å; I153-I196 WeakPolarHBondContact O-CA 3.49Å
154K98Very high96.9Very high156 Ų15661.8 Ų61.868%0.67830%0.299SS*.  trans-70.8142.8172.8-66.7179-177.9175.40109.4L156 Q157 L158K154-L156 VanDerWaalsContact C-N 3.27Å; K154-L156 PolarHBondContact O-N 2.7Å; K154-Q157 HydrophobicContact CB-CB 4.25Å; K154-Q157 PolarHBondContact O-N 3.21Å; K154-Q157 VanDerWaalsContact O-N 3.09Å; K154-L158 PolarHBondContact O-N 3.35Å
155P98.2Very high96.6Very high24 Ų2467.5 Ų67.516%0.15634%0.336CS..Hα-helixtrans-49.6-45.8176.7-29.334.1000113.8L158 A159 I196 R209 A213P155-L158 WeakPolarHBondContact O-CB 3.33Å; P155-L158 PolarHBondContact O-N 3.49Å; P155-A159 PolarHBondContact O-N 3.01Å; P155-I196 HydrophobicContact CG-CB 4.09Å; P155-I196 HydrophobicContact CG-CD1 4.28Å; P155-R209 HydrophobicContact CG-CB 4.15Å; P155-A213 HydrophobicContact CB-CB 3.66Å; P155-A213 WeakPolarHBondContact O-CB 3.17Å
156L98.2Very high96.2Very high56 Ų5672.7 Ų72.729%0.29336%0.364SS..Hα-helixtrans-61.2-46.9178.9-174.664.6000111.9K154 L158 A159 E160 E216 V217K154-L156 VanDerWaalsContact C-N 3.27Å; K154-L156 PolarHBondContact O-N 2.7Å; L156-L158 VanDerWaalsContact C-N 3.31Å; L156-L158 PolarHBondContact O-N 3.5Å; L156-A159 WeakPolarHBondContact O-CB 3.38Å; L156-A159 PolarHBondContact O-N 3.41Å; L156-A159 VanDerWaalsContact O-N 3.15Å; L156-E160 WeakPolarHBondContact O-CG 3.38Å; L156-E160 PolarHBondContact O-N 3.37Å; L156-E216 HydrophobicContact CD1-CB 3.97Å; L156-E216 HydrophobicContact CD1-CG 3.92Å; L156-V217 HydrophobicContact CD1-CG2 3.74Å
157Q98Very high95.9Very high89 Ų8975.8 Ų75.842%0.41638%0.384SS..Hα-helixtrans-61.8-39.8177.5-174.6-173.4-17.600111.7I153 K154 A159 E160 E161I153-Q157 HydrophobicContact CD1-CB 4.34Å; I153-Q157 HydrophobicContact CD1-CG 4.05Å; I153-Q157 HydrophobicContact CG1-CB 3.95Å; I153-Q157 HydrophobicContact CG1-CG 4.01Å; K154-Q157 HydrophobicContact CB-CB 4.25Å; K154-Q157 PolarHBondContact O-N 3.21Å; K154-Q157 VanDerWaalsContact O-N 3.09Å; Q157-A159 VanDerWaalsContact C-N 3.34Å; Q157-A159 PolarHBondContact O-N 3.18Å; Q157-E160 PolarHBondContact O-N 2.98Å; Q157-E161 HydrophobicContact CG-CG 4.42Å; Q157-E161 PolarHBondContact NE2-OE1 2.93Å; Q157-E161 WeakPolarHBondContact O-CB 3.48Å; Q157-E161 WeakPolarHBondContact O-CG 3.42Å; Q157-E161 PolarHBondContact O-N 3.29Å
158L97.9Very high95.8Very high0 Ų074.3 Ų74.30%038%0.379CS..Hα-helixtrans-61.6-43174.9178.666000111.6I143 M145 I153 K154 P155 L156 T162 I172 V194 I196 I210I143-L158 HydrophobicContact CD1-CD1 3.83Å; I143-L158 HydrophobicContact CG2-CD1 4.46Å; M145-L158 HydrophobicContact CE-CD2 4.07Å; I153-L158 HydrophobicContact CD1-CB 3.91Å; I153-L158 HydrophobicContact CD1-CD1 4.2Å; I153-L158 HydrophobicContact CG1-CB 4.19Å; I153-L158 HydrophobicContact CG2-CB 4.09Å; I153-L158 HydrophobicContact CG2-CD1 4.41Å; K154-L158 PolarHBondContact O-N 3.35Å; P155-L158 WeakPolarHBondContact O-CB 3.33Å; P155-L158 PolarHBondContact O-N 3.49Å; L156-L158 VanDerWaalsContact C-N 3.31Å; L156-L158 PolarHBondContact O-N 3.5Å; L158-T162 HydrophobicContact CD1-CG2 4.48Å; L158-T162 WeakPolarHBondContact O-CG2 3.36Å; L158-T162 PolarHBondContact O-N 2.81Å; L158-T162 PolarHBondContact O-OG1 3.43Å; L158-T162 VanDerWaalsContact O-OG1 3.09Å; L158-I172 HydrophobicContact CD2-CD1 4.47Å; L158-V194 HydrophobicContact CD2-CG2 4.15Å; L158-I196 HydrophobicContact CD2-CG2 4.49Å; L158-I210 HydrophobicContact CD2-CD1 3.99Å
159A97.9Very high95.9Very high0 Ų070.4 Ų70.40%035%0.352CS..Hα-helixtrans-62.7-46.6174.800000110.5P155 L156 Q157 E161 T162 Q163 A213 F214 V217P155-A159 PolarHBondContact O-N 3.01Å; L156-A159 WeakPolarHBondContact O-CB 3.38Å; L156-A159 PolarHBondContact O-N 3.41Å; L156-A159 VanDerWaalsContact O-N 3.15Å; Q157-A159 VanDerWaalsContact C-N 3.34Å; Q157-A159 PolarHBondContact O-N 3.18Å; A159-E161 PolarHBondContact O-N 3.18Å; A159-T162 PolarHBondContact O-N 2.75Å; A159-T162 PolarHBondContact O-OG1 2.88Å; A159-T162 VanDerWaalsContact O-OG1 3.08Å; A159-Q163 VanDerWaalsContact O-CB 3.26Å; A159-Q163 WeakPolarHBondContact O-CB 3.39Å; A159-Q163 WeakPolarHBondContact O-CG 3.4Å; A159-Q163 PolarHBondContact O-N 2.93Å; A159-A213 HydrophobicContact CB-CB 4.08Å; A159-F214 HydrophobicContact CB-CD2 3.85Å; A159-F214 HydrophobicContact CB-CE2 3.88Å; A159-F214 HydrophobicContact CB-CG 4.18Å; A159-F214 HydrophobicContact CB-CZ 4.22Å; A159-V217 HydrophobicContact CB-CB 4.17Å; A159-V217 HydrophobicContact CB-CG2 3.61Å
160E97.8Very high95.9Very high71 Ų7169.3 Ų69.333%0.33234%0.344SS..Hα-helixtrans-61.1-46.1177.9-68.6-171.9123.100113.1L156 Q157 T162 Q163 K164 V217L156-E160 WeakPolarHBondContact O-CG 3.38Å; L156-E160 PolarHBondContact O-N 3.37Å; Q157-E160 PolarHBondContact O-N 2.98Å; E160-T162 PolarHBondContact O-N 3.5Å; E160-Q163 PolarHBondContact O-N 3.42Å; E160-K164 HydrophobicContact CB-CD 4.41Å; E160-K164 HydrophobicContact CG-CD 4.41Å; E160-K164 WeakPolarHBondContact O-CB 3.38Å; E160-K164 PolarHBondContact O-N 3.41Å; E160-K164 IonicContact OE1-NZ 3.34Å; E160-K164 PolarHBondContact OE1-NZ 3.22Å; E160-V217 HydrophobicContact CG-CG2 3.63Å
161E96.2Very high96.1Very high88 Ų8859.2 Ų59.241%0.41130%0.3SS..Hα-helixtrans-59.9-33.4178.5-79177.3-165.300112.7I153 Q157 A159 R192I153-E161 VanDerWaalsContact CD1-CD 3.46Å; I153-E161 WeakPolarHBondContact CD1-OE1 3.38Å; I153-E161 WeakPolarHBondContact CD1-OE2 3.45Å; Q157-E161 HydrophobicContact CG-CG 4.42Å; Q157-E161 PolarHBondContact NE2-OE1 2.93Å; Q157-E161 WeakPolarHBondContact O-CB 3.48Å; Q157-E161 WeakPolarHBondContact O-CG 3.42Å; Q157-E161 PolarHBondContact O-N 3.29Å; A159-E161 PolarHBondContact O-N 3.18Å; E161-R192 IonicContact OE2-CZ 3.06Å; E161-R192 IonicContact OE2-NH1 3.29Å; E161-R192 PolarHBondContact OE2-NH1 3.45Å; E161-R192 IonicContact OE2-NH2 2.64Å; E161-R192 PolarHBondContact OE2-NH2 3.22Å
162T95.4Very high96.2Very high11 Ų1155.5 Ų55.57%0.06728%0.282CS..Hα-helixtrans-87.4-19.2-179.559.20000113.2I143 L158 A159 E160 V170I143-T162 HydrophobicContact CD1-CG2 3.72Å; L158-T162 HydrophobicContact CD1-CG2 4.48Å; L158-T162 WeakPolarHBondContact O-CG2 3.36Å; L158-T162 PolarHBondContact O-N 2.81Å; L158-T162 PolarHBondContact O-OG1 3.43Å; L158-T162 VanDerWaalsContact O-OG1 3.09Å; A159-T162 PolarHBondContact O-N 2.75Å; A159-T162 PolarHBondContact O-OG1 2.88Å; A159-T162 VanDerWaalsContact O-OG1 3.08Å; E160-T162 PolarHBondContact O-N 3.5Å; T162-V170 HydrophobicContact CG2-CG2 4.25Å
163Q95.9Very high96.3Very high3 Ų350 Ų501%0.01426%0.257CS..Hα-helixtrans-114-18.1-170.6-58.7-51.8-53.500114.4A159 E160 N166 P167 Q168 F214 V217 W218A159-Q163 VanDerWaalsContact O-CB 3.26Å; A159-Q163 WeakPolarHBondContact O-CB 3.39Å; A159-Q163 WeakPolarHBondContact O-CG 3.4Å; A159-Q163 PolarHBondContact O-N 2.93Å; E160-Q163 PolarHBondContact O-N 3.42Å; Q163-N166 CarbonylContact O-C 3.51Å; Q163-P167 VanDerWaalsContact O-CA 3.29Å; Q163-P167 WeakPolarHBondContact O-CA 3.4Å; Q163-P167 VanDerWaalsContact O-CD 3.31Å; Q163-P167 WeakPolarHBondContact O-CD 3.47Å; Q163-P167 WeakPolarHBondContact O-CG 3.45Å; Q163-P167 VanDerWaalsContact O-N 3.08Å; Q163-Q168 PolarHBondContact NE2-O 2.94Å; Q163-Q168 PolarHBondContact OE1-O 3.18Å; Q163-F214 HydrophobicContact CG-CD1 4.36Å; Q163-F214 HydrophobicContact CG-CE1 3.95Å; Q163-V217 HydrophobicContact CB-CG1 3.73Å; Q163-V217 HydrophobicContact CG-CG1 4.14Å; Q163-W218 HydrophobicContact CG-CZ2 4.23Å; Q163-W218 VanDerWaalsContact OE1-CZ2 3.31Å
164K92Very high96.3Very high117 Ų11749.7 Ų49.751%0.50926%0.255SS..SBendtrans-115.9139.3-179.1-62.6178.3-176.6171.20110.7E160E160-K164 HydrophobicContact CB-CD 4.41Å; E160-K164 HydrophobicContact CG-CD 4.41Å; E160-K164 WeakPolarHBondContact O-CB 3.38Å; E160-K164 PolarHBondContact O-N 3.41Å; E160-K164 IonicContact OE1-NZ 3.34Å; E160-K164 PolarHBondContact OE1-NZ 3.22Å
165P91.2Very high96.3Very high120 Ų12043.1 Ų43.178%0.77923%0.232SC*.SBendcis-81.9-13.7-1.333.5-35.7000114P167P165-P167 WeakPolarHBondContact O-CD 3.43Å
166N90.7Very high96.3Very high128 Ų12842 Ų4268%0.68423%0.225SC*.SBendtrans-116.6101.7-173.8-67.3-29.5000110.2Q163 Q168Q163-N166 CarbonylContact O-C 3.51Å; N166-Q168 PolarHBondContact O-N 3.5Å
167P91.2Very high96.2Very high79 Ų7940.6 Ų40.651%0.51322%0.217SC..  trans-58.7136.2178.8-25.333.4000112.2V7 Q163 P165V7-P167 HydrophobicContact CG1-CB 4.29Å; V7-P167 HydrophobicContact CG2-CB 4.28Å; Q163-P167 VanDerWaalsContact O-CA 3.29Å; Q163-P167 WeakPolarHBondContact O-CA 3.4Å; Q163-P167 VanDerWaalsContact O-CD 3.31Å; Q163-P167 WeakPolarHBondContact O-CD 3.47Å; Q163-P167 WeakPolarHBondContact O-CG 3.45Å; Q163-P167 VanDerWaalsContact O-N 3.08Å; P165-P167 WeakPolarHBondContact O-CD 3.43Å
168Q94.3Very high96.1Very high85 Ų8537.5 Ų37.540%0.39721%0.207SC..  trans-145.3154.3176.665.4-177.1-43.400110.4V7 Q163 N166V7-Q168 VanDerWaalsContact CG1-C 3.44Å; V7-Q168 WeakPolarHBondContact CG1-O 3.31Å; Q163-Q168 PolarHBondContact NE2-O 2.94Å; Q163-Q168 PolarHBondContact OE1-O 3.18Å; N166-Q168 PolarHBondContact O-N 3.5Å
169S97Very high95.8Very high13 Ų1343.6 Ų43.69%0.09124%0.235CC..  trans-63.2143.4172.1-64.40000110.4R8 A140 P141R8-S169 PolarHBondContact N-OG 3.14Å; R8-S169 WeakPolarHBondContact O-CA 3.29Å; R8-S169 WeakPolarHBondContact O-CB 3.47Å; R8-S169 PolarHBondContact O-OG 3.33Å; A140-S169 WeakPolarHBondContact CA-O 3.45Å; A140-S169 WeakPolarHBondContact CB-O 3.41Å; P141-S169 WeakPolarHBondContact CD-O 3.38Å
170V97.6Very high95.6Very high0 Ų047 Ų470%027%0.27CS..EExtended strand (participates in β ladder)trans-136.1142.4-179.156.20000109.6R8 L9 Y10 P141 I143 T162 I172 F214R8-V170 PolarHBondContact O-N 2.66Å; L9-V170 HydrophobicContact CD1-CG1 3.83Å; Y10-V170 PolarHBondContact N-O 3.31Å; P141-V170 HydrophobicContact CG-CB 4.27Å; P141-V170 HydrophobicContact CG-CG2 4.05Å; I143-V170 HydrophobicContact CD1-CG2 4.04Å; I143-V170 HydrophobicContact CG1-CG2 4.32Å; T162-V170 HydrophobicContact CG2-CG2 4.25Å; V170-I172 HydrophobicContact CG2-CD1 3.93Å; V170-F214 HydrophobicContact CG1-CE1 3.49Å; V170-F214 VanDerWaalsContact CG1-CE1 3.49Å; V170-F214 HydrophobicContact CG1-CZ 3.49Å; V170-F214 VanDerWaalsContact CG1-CZ 3.49Å
171V98.5Very high95.4Very high0 Ų046 Ų460%027%0.271CS..EExtended strand (participates in β ladder)trans-102.9119.7176.2-174.90000109Y10 F136 A140 P141 V142 I143Y10-V171 CarbonylContact O-C 3.54Å; Y10-V171 WeakPolarHBondContact O-CA 3.31Å; F136-V171 HydrophobicContact CB-CG2 3.99Å; F136-V171 HydrophobicContact CD1-CG1 4.23Å; F136-V171 HydrophobicContact CD1-CG2 4Å; F136-V171 HydrophobicContact CD2-CG1 4.34Å; F136-V171 HydrophobicContact CD2-CG2 3.97Å; F136-V171 HydrophobicContact CE1-CG1 3.88Å; F136-V171 HydrophobicContact CE1-CG2 4.49Å; F136-V171 HydrophobicContact CE2-CG1 4.01Å; F136-V171 HydrophobicContact CE2-CG2 4.46Å; F136-V171 HydrophobicContact CG-CG1 4.47Å; F136-V171 HydrophobicContact CG-CG2 3.73Å; F136-V171 HydrophobicContact CZ-CG1 3.77Å; A140-V171 HydrophobicContact CB-CG2 4.27Å; P141-V171 PolarHBondContact O-N 3.29Å; V142-V171 WeakPolarHBondContact CA-O 3.34Å; V142-V171 HydrophobicContact CB-CB 4.36Å; V142-V171 HydrophobicContact CG1-CB 4.09Å; V142-V171 HydrophobicContact CG1-CG1 4.04Å; V142-V171 HydrophobicContact CG2-CB 4.07Å; V142-V171 HydrophobicContact CG2-CG2 4.31Å; I143-V171 PolarHBondContact N-O 3.48Å
172I98.6Very high95.4Very high0 Ų042 Ų420%025%0.252CS..EExtended strand (participates in β ladder)trans-105.3122.7172-54.7-59.3000109.1L9 Y10 I11 L12 I143 M145 L158 V170 I174 I210L9-I172 HydrophobicContact CD1-CG1 3.66Å; Y10-I172 PolarHBondContact O-N 3.15Å; I11-I172 WeakPolarHBondContact CA-O 3.46Å; I11-I172 HydrophobicContact CD1-CB 3.73Å; I11-I172 HydrophobicContact CD1-CG1 4.34Å; I11-I172 HydrophobicContact CD1-CG2 4.31Å; L12-I172 PolarHBondContact N-O 3.35Å; I143-I172 HydrophobicContact CB-CD1 3.85Å; I143-I172 HydrophobicContact CD1-CD1 4.31Å; I143-I172 HydrophobicContact CG1-CD1 4.4Å; I143-I172 CarbonylContact O-C 3.57Å; I143-I172 WeakPolarHBondContact O-CA 3.42Å; M145-I172 HydrophobicContact CE-CG2 4.02Å; M145-I172 HydrophobicContact CG-CG2 3.74Å; M145-I172 HydrophobicContact SD-CG2 4.18Å; L158-I172 HydrophobicContact CD2-CD1 4.47Å; V170-I172 HydrophobicContact CG2-CD1 3.93Å; I172-I174 HydrophobicContact CG2-CD1 4.36Å; I172-I174 HydrophobicContact CG2-CG1 4.03Å; I172-I210 HydrophobicContact CG1-CG2 4.27Å
173V98.7Very high95.5Very high0 Ų043.1 Ų43.10%026%0.259CS..EExtended strand (participates in β ladder)trans-97.4125.1176.9-171.60000109.6L12 D14 V142 I143 T144 M145 V182 F189L12-V173 HydrophobicContact CB-CG1 4.45Å; L12-V173 HydrophobicContact CB-CG2 4.34Å; L12-V173 HydrophobicContact CD2-CG1 4.19Å; L12-V173 HydrophobicContact CD2-CG2 4.29Å; L12-V173 HydrophobicContact CG-CG1 4.32Å; L12-V173 WeakPolarHBondContact O-CA 3.43Å; D14-V173 HydrophobicContact CB-CG1 3.92Å; V142-V173 HydrophobicContact CG1-CG2 3.74Å; I143-V173 PolarHBondContact O-N 3.27Å; T144-V173 HydrophobicContact CG2-CB 4.37Å; M145-V173 PolarHBondContact N-O 3.36Å; V173-V182 HydrophobicContact CG1-CG2 4.11Å; V173-F189 HydrophobicContact CG2-CE2 4.2Å
174I98.7Very high95.4Very high3 Ų348.8 Ų48.82%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-124.7130.1179.7-56.9175.7000108.5I11 L12 L13 D14 M145 I172 A176 A203 T206 C207I11-I174 HydrophobicContact CG2-CD1 4.17Å; L12-I174 PolarHBondContact O-N 3.34Å; L13-I174 CarbonylContact C-O 3.57Å; L13-I174 WeakPolarHBondContact CA-O 3.43Å; L13-I174 HydrophobicContact CD2-CB 4.2Å; L13-I174 HydrophobicContact CD2-CG2 4.48Å; D14-I174 PolarHBondContact N-O 3.1Å; M145-I174 HydrophobicContact CG-CG1 4.01Å; I172-I174 HydrophobicContact CG2-CD1 4.36Å; I172-I174 HydrophobicContact CG2-CG1 4.03Å; I174-A176 PolarHBondContact O-N 3.39Å; I174-A203 HydrophobicContact CG2-CB 4.05Å; I174-T206 HydrophobicContact CD1-CG2 3.88Å; I174-T206 HydrophobicContact CG1-CG2 4.04Å; I174-T206 HydrophobicContact CG2-CG2 4.14Å; I174-C207 HydrophobicContact CD1-CB 4.42Å; I174-C207 VanDerWaalsContact CD1-SG 3.59Å
175G98.4Very high95.4Very high19 Ų1945.9 Ų45.920%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-71.8113.7175.700000112.6L177 V182 A203G175-L177 PolarHBondContact O-N 3.18Å; G175-V182 VanDerWaalsContact CA-CG1 3.47Å; G175-A203 VanDerWaalsContact O-CB 3.25Å; G175-A203 WeakPolarHBondContact O-CB 3.37Å
176A98.3Very high95.6Very high0 Ų040.1 Ų40.10%025%0.245CC..  trans-91.149.1173.200000111.4L13 D14 A16 I174L13-A176 HydrophobicContact CB-CB 3.95Å; D14-A176 PolarHBondContact O-N 3.02Å; A16-A176 WeakPolarHBondContact CA-O 3.47Å; A16-A176 HydrophobicContact CB-CB 4.13Å; I174-A176 PolarHBondContact O-N 3.39Å
177L96.5Very high95.8Very high27 Ų2741.4 Ų41.414%0.14124%0.244CC..SBendtrans-128.8156.2-170.660.596.6000111.1Q15 I55 G175 H179 V182Q15-L177 HydrophobicContact CB-CB 4.16Å; Q15-L177 HydrophobicContact CB-CD2 3.71Å; Q15-L177 HydrophobicContact CG-CD2 4.2Å; I55-L177 WeakPolarHBondContact CD1-O 3.44Å; G175-L177 PolarHBondContact O-N 3.18Å; L177-H179 WeakPolarHBondContact CD1-O 3.24Å; L177-V182 HydrophobicContact CD2-CG1 3.28Å
178A94.4Very high95.9Very high23 Ų2345.8 Ų45.819%0.1926%0.258CS..SBendtrans-72.9-48.4-179.600000112.9A49 R52 I55A49-A178 WeakPolarHBondContact O-CB 3.39Å; R52-A178 HydrophobicContact CB-CB 4.18Å; R52-A178 HydrophobicContact CG-CB 3.68Å; I55-A178 HydrophobicContact CD1-CB 4.23Å
179H92.6Very high95.9Very high128 Ų12843 Ų4359%0.59324%0.244SC*.SBendtrans-145.2143.6-177.9-49.3103.6000109.8L177L177-H179 WeakPolarHBondContact CD1-O 3.24Å
180G93.6Very high95.8Very high72 Ų7244.2 Ų44.274%0.74225%0.249SC*.SBendtrans119.8-164.3179.600000113.1
181S94.7Very high95.7Very high49 Ų4950.7 Ų50.734%0.34328%0.28SS..  trans-134.9148.1-179.8177.50000109.8V183S181-V183 WeakPolarHBondContact OG-CG2 3.48Å; S181-V183 PolarHBondContact OG-N 3.25Å
182V96.2Very high95.6Very high4 Ų453.5 Ų53.52%0.02429%0.29CS..SBendtrans-96.1-1.2174-61.50000113.2D14 Q15 T144 V173 G175 L177 D184 T185 C186D14-V182 HydrophobicContact CB-CB 4.27Å; D14-V182 HydrophobicContact CB-CG1 3.97Å; Q15-V182 HydrophobicContact CB-CG1 4.31Å; Q15-V182 HydrophobicContact CG-CG1 4.02Å; T144-V182 HydrophobicContact CG2-CG2 3.69Å; V173-V182 HydrophobicContact CG1-CG2 4.11Å; G175-V182 VanDerWaalsContact CA-CG1 3.47Å; L177-V182 HydrophobicContact CD2-CG1 3.28Å; V182-D184 PolarHBondContact O-N 3.49Å; V182-T185 WeakPolarHBondContact CA-OG1 3.25Å; V182-T185 PolarHBondContact O-N 3.06Å; V182-T185 PolarHBondContact O-OG1 3.02Å; V182-C186 VanDerWaalsContact O-CB 3.29Å; V182-C186 WeakPolarHBondContact O-CB 3.46Å; V182-C186 PolarHBondContact O-N 3.25Å; V182-C186 PolarHBondContact O-SG 3.42Å
183V95.8Very high95.6Very high35 Ų3554.9 Ų54.921%0.21230%0.299CS..Hα-helixtrans-59.1-48.9-178.7175.30000110.3T144 S181 T185 C186 K187 I190 T193T144-V183 HydrophobicContact CG2-CG2 4.04Å; S181-V183 WeakPolarHBondContact OG-CG2 3.48Å; S181-V183 PolarHBondContact OG-N 3.25Å; V183-T185 PolarHBondContact O-N 3Å; V183-C186 PolarHBondContact O-N 2.79Å; V183-K187 PolarHBondContact O-N 2.64Å; V183-I190 HydrophobicContact CG1-CD1 3.99Å; V183-T193 HydrophobicContact CG2-CG2 3.73Å
184D94Very high95.6Very high123 Ų12354.9 Ų54.966%0.65830%0.299SS*.Hα-helixtrans-68.2-36.8-179.3-65-34.5000112.7V182 C186 K187V182-D184 PolarHBondContact O-N 3.49Å; D184-C186 PolarHBondContact O-N 3.24Å; D184-K187 WeakPolarHBondContact O-CG 3.29Å
185T93.5Very high95.6Very high55 Ų5555 Ų5534%0.33730%0.299SS..Hα-helixtrans-74.4-14.4179.558.80000112.8D14 Q15 R79 V182 V183D14-T185 PolarHBondContact OD2-OG1 3.42Å; Q15-T185 HydrophobicContact CG-CG2 4.17Å; R79-T185 PolarHBondContact NH2-O 3.38Å; V182-T185 WeakPolarHBondContact CA-OG1 3.25Å; V182-T185 PolarHBondContact O-N 3.06Å; V182-T185 PolarHBondContact O-OG1 3.02Å; V183-T185 PolarHBondContact O-N 3Å
186C94.4Very high95.6Very high0 Ų054.8 Ų54.80%029%0.294CS..Hα-helixtrans-112-2.9179.7-600000113.4D14 R79 V182 V183 D184 E188 F189 I190D14-C186 PolarHBondContact OD2-SG 2.99Å; R79-C186 PolarHBondContact NH2-SG 3.16Å; V182-C186 VanDerWaalsContact O-CB 3.29Å; V182-C186 WeakPolarHBondContact O-CB 3.46Å; V182-C186 PolarHBondContact O-N 3.25Å; V182-C186 PolarHBondContact O-SG 3.42Å; V183-C186 PolarHBondContact O-N 2.79Å; D184-C186 PolarHBondContact O-N 3.24Å; C186-E188 PolarHBondContact O-N 3.32Å; C186-F189 HydrophobicContact CB-CD2 4.45Å; C186-F189 HydrophobicContact CB-CE1 4.23Å; C186-F189 HydrophobicContact CB-CE2 3.7Å; C186-F189 HydrophobicContact CB-CZ 3.57Å; C186-F189 PolarHBondContact O-N 2.99Å; C186-I190 HydrophobicContact CB-CG2 3.36Å; C186-I190 WeakPolarHBondContact O-CG2 3Å; C186-I190 PolarHBondContact O-N 3.42Å
187K94Very high95.5Very high154 Ų15455.8 Ų55.867%0.6730%0.301SS*.THydrogen-bonded Turntrans-47-27.6-171.171.5-176.7-179.4178.90115.8V183 D184 F189V183-K187 PolarHBondContact O-N 2.64Å; D184-K187 WeakPolarHBondContact O-CG 3.29Å; K187-F189 PolarHBondContact O-N 3.16Å
188E94Very high95.5Very high171 Ų17159.7 Ų59.780%0.79932%0.322SS*.THydrogen-bonded Turntrans-68.7-20.7-179.2-62.6179.4176.600113.6C186C186-E188 PolarHBondContact O-N 3.32Å
189F95.2Very high95.6Very high28 Ų2865.7 Ų65.712%0.12334%0.344CS..THydrogen-bonded Turntrans-138.9-4-173.859.8-104.1000114.9L12 V132 T133 F136 V142 V173 C186 K187L12-F189 HydrophobicContact CD2-CE2 4.4Å; L12-F189 HydrophobicContact CD2-CZ 4.17Å; V132-F189 HydrophobicContact CG1-CE1 4Å; V132-F189 HydrophobicContact CG1-CZ 4.01Å; T133-F189 HydrophobicContact CG2-CB 3.43Å; T133-F189 VanDerWaalsContact CG2-CB 3.43Å; T133-F189 HydrophobicContact CG2-CD1 3.6Å; T133-F189 HydrophobicContact CG2-CD2 4.24Å; T133-F189 HydrophobicContact CG2-CE1 4.4Å; T133-F189 HydrophobicContact CG2-CG 3.5Å; T133-F189 VanDerWaalsContact CG2-CG 3.5Å; F136-F189 HydrophobicContact CE2-CD2 4.16Å; F136-F189 HydrophobicContact CE2-CE2 4.3Å; V142-F189 WeakPolarHBondContact CB-O 3.14Å; V142-F189 HydrophobicContact CG1-CD2 3.85Å; V142-F189 HydrophobicContact CG1-CE2 4.17Å; V173-F189 HydrophobicContact CG2-CE2 4.2Å; C186-F189 HydrophobicContact CB-CD2 4.45Å; C186-F189 HydrophobicContact CB-CE1 4.23Å; C186-F189 HydrophobicContact CB-CE2 3.7Å; C186-F189 HydrophobicContact CB-CZ 3.57Å; C186-F189 PolarHBondContact O-N 2.99Å; K187-F189 PolarHBondContact O-N 3.16Å
190I93.9Very high95.8Very high38 Ų3864.2 Ų64.220%0.19535%0.346CS..  trans-71.3143.8174.6104.6-177.4000109.8T144 V183 C186 T193T144-I190 WeakPolarHBondContact OG1-CG2 3.46Å; V183-I190 HydrophobicContact CG1-CD1 3.99Å; C186-I190 HydrophobicContact CB-CG2 3.36Å; C186-I190 WeakPolarHBondContact O-CG2 3Å; C186-I190 PolarHBondContact O-N 3.42Å; I190-T193 WeakPolarHBondContact CD1-OG1 3.43Å
191Q95.9Very high96Very high136 Ų13663 Ų6364%0.63632%0.322SS*.  trans-114-32.4173.3-66.6167.8-25.800112.1V142V142-Q191 PolarHBondContact O-N 3.03Å
192R97.2Very high96.1Very high59 Ų5964 Ų6422%0.22333%0.329CS..EExtended strand (participates in β ladder)trans-139.1146.7-179.9-167.8-177.6178.7-169.92109.6V142 I143 T144 E151 E161 V194V142-R192 PolarHBondContact O-N 3.01Å; I143-R192 WeakPolarHBondContact CA-O 3.32Å; I143-R192 HydrophobicContact CG1-CB 4.37Å; I143-R192 HydrophobicContact CG2-CB 4.24Å; I143-R192 HydrophobicContact CG2-CG 4.49Å; T144-R192 PolarHBondContact N-O 2.78Å; E151-R192 VanDerWaalsContact CD-NE 3.31Å; E151-R192 IonicContact OE1-CZ 2.82Å; E151-R192 IonicContact OE1-NE 2.89Å; E151-R192 PolarHBondContact OE1-NE 3.3Å; E151-R192 IonicContact OE1-NH2 3.95Å; E151-R192 PolarHBondContact OE1-NH2 3.43Å; E151-R192 WeakPolarHBondContact OE2-CG 3.25Å; E151-R192 IonicContact OE2-NE 3.35Å; E151-R192 PolarHBondContact OE2-NE 3.01Å; E161-R192 IonicContact OE2-CZ 3.06Å; E161-R192 IonicContact OE2-NH1 3.29Å; E161-R192 PolarHBondContact OE2-NH1 3.45Å; E161-R192 IonicContact OE2-NH2 2.64Å; E161-R192 PolarHBondContact OE2-NH2 3.22Å; R192-V194 HydrophobicContact CG-CG1 3.88Å
193T98Very high96.2Very high29 Ų2964.4 Ų64.418%0.17833%0.333CS..EExtended strand (participates in β ladder)trans-127124.9172.2-55.30000108.8T144 S149 V183 I190T144-T193 CarbonylContact O-C 3.58Å; T144-T193 VanDerWaalsContact O-CA 3.28Å; T144-T193 WeakPolarHBondContact O-CA 3.38Å; S149-T193 PolarHBondContact OG-O 3.32Å; V183-T193 HydrophobicContact CG2-CG2 3.73Å; I190-T193 WeakPolarHBondContact CD1-OG1 3.43Å
194V98.2Very high96.4Very high0 Ų063.2 Ų63.20%033%0.327CS..EExtended strand (participates in β ladder)trans-130.9154.9-178-55.60000111.9I143 T144 M145 S146 E151 I153 L158 R192 I196I143-V194 HydrophobicContact CG2-CG1 4.34Å; I143-V194 HydrophobicContact CG2-CG2 3.89Å; T144-V194 PolarHBondContact O-N 3.36Å; M145-V194 WeakPolarHBondContact CA-O 3.36Å; M145-V194 HydrophobicContact CE-CG2 3.22Å; M145-V194 HydrophobicContact SD-CG2 4.06Å; S146-V194 PolarHBondContact N-O 3.28Å; E151-V194 HydrophobicContact CB-CG1 4.38Å; E151-V194 HydrophobicContact CG-CG1 3.96Å; E151-V194 CarbonylContact O-C 3.59Å; E151-V194 WeakPolarHBondContact O-CA 3.3Å; I153-V194 HydrophobicContact CG2-CB 3.72Å; I153-V194 HydrophobicContact CG2-CG1 4.1Å; I153-V194 HydrophobicContact CG2-CG2 3.77Å; L158-V194 HydrophobicContact CD2-CG2 4.15Å; R192-V194 HydrophobicContact CG-CG1 3.88Å; V194-I196 HydrophobicContact CG2-CG2 4.4Å
195S98.2Very high96.6Very high4 Ų461.4 Ų61.43%0.02831%0.314CS..BIsolated β-bridgetrans-105.6130.8167.2-176.60000109.1S146 E151 Q152 I153 S197S146-S195 WeakPolarHBondContact O-CA 3.35Å; S146-S195 VanDerWaalsContact O-CB 3.25Å; S146-S195 WeakPolarHBondContact O-CB 2.74Å; E151-S195 PolarHBondContact O-N 3.12Å; Q152-S195 WeakPolarHBondContact CA-O 3.38Å; I153-S195 PolarHBondContact N-O 3.32Å; S195-S197 PolarHBondContact OG-O 3.05Å
196I98.3Very high96.8Very high16 Ų1659.4 Ų59.48%0.08230%0.302CS..  trans-99.66.1-179.164.5162.5000113.8M145 I153 P155 L158 V194 L201 T206 R209 I210M145-I196 HydrophobicContact SD-CG2 3.65Å; I153-I196 HydrophobicContact CG2-CG2 4.46Å; I153-I196 VanDerWaalsContact O-CA 3.32Å; I153-I196 WeakPolarHBondContact O-CA 3.49Å; P155-I196 HydrophobicContact CG-CB 4.09Å; P155-I196 HydrophobicContact CG-CD1 4.28Å; L158-I196 HydrophobicContact CD2-CG2 4.49Å; V194-I196 HydrophobicContact CG2-CG2 4.4Å; I196-L201 HydrophobicContact CD1-CD1 3.95Å; I196-L201 HydrophobicContact CG1-CD1 3.95Å; I196-T206 HydrophobicContact CD1-CG2 3.85Å; I196-R209 HydrophobicContact CD1-CB 4.19Å; I196-I210 HydrophobicContact CD1-CD1 4.28Å; I196-I210 HydrophobicContact CD1-CG1 4.26Å; I196-I210 HydrophobicContact CG2-CD1 4.28Å
197S97.7Very high97.1Very high21 Ų2159.4 Ų59.415%0.14730%0.302CS..  trans-160.9149.4179.7-160.80000112.3S195 F199 R209S195-S197 PolarHBondContact OG-O 3.05Å; S197-F199 WeakPolarHBondContact CB-O 3.38Å; S197-F199 PolarHBondContact O-N 3.28Å; S197-F199 PolarHBondContact OG-N 3.18Å; S197-R209 PolarHBondContact OG-NH1 3.29Å; S197-R209 VanDerWaalsContact OG-NH1 3.16Å
198N95.6Very high97.3Very high109 Ų10953.2 Ų53.258%0.58328%0.28SS*.SBendtrans-70.5-7.8168.1-70.9-36.3000113.6Q152Q152-N198 VanDerWaalsContact CD-OD1 3.25Å; Q152-N198 PolarHBondContact NE2-OD1 3.41Å; Q152-N198 PolarHBondContact OE1-OD1 3.3Å
199F96.8Very high97.5Very high148 Ų14849.3 Ų49.365%0.64926%0.258SS*.SBendtrans-116.4144.5178.9-57.3-79.2000110S197 L201S197-F199 WeakPolarHBondContact CB-O 3.38Å; S197-F199 PolarHBondContact O-N 3.28Å; S197-F199 PolarHBondContact OG-N 3.18Å; F199-L201 PolarHBondContact O-N 3.31Å
200P96Very high97.7Very high97 Ų9748 Ų4863%0.6325%0.252SS*.PPolyproline II helixtrans-61.8127.5170.327-33.2000109.1F147F147-P200 HydrophobicContact CD1-CB 4.34Å; F147-P200 HydrophobicContact CD2-CB 4.46Å; F147-P200 HydrophobicContact CG-CB 4.32Å
201L97.8Very high97.9Very high48 Ų4846.3 Ų46.325%0.25124%0.243SC..PPolyproline II helixtrans-104147.8180-57.6-176.3000110.3I196 F199 Q205I196-L201 HydrophobicContact CD1-CD1 3.95Å; I196-L201 HydrophobicContact CG1-CD1 3.95Å; F199-L201 PolarHBondContact O-N 3.31Å; L201-Q205 HydrophobicContact CB-CB 4.47Å; L201-Q205 HydrophobicContact CD2-CG 4.35Å
202S98.3Very high98Very high68 Ų6843.5 Ų43.548%0.47624%0.236SC..PPolyproline II helixtrans-64.1152162.171.20000109.8A204 Q205 T206S202-A204 PolarHBondContact O-N 3.13Å; S202-Q205 PolarHBondContact O-N 3.32Å; S202-Q205 WeakPolarHBondContact OG-CB 3.48Å; S202-Q205 PolarHBondContact OG-N 3.4Å; S202-T206 PolarHBondContact O-N 2.84Å; S202-T206 PolarHBondContact O-OG1 2.77Å
203A98.6Very high98.1Very high13 Ų1340.9 Ų40.911%0.10723%0.227CC..Hα-helixtrans-57.2-38.5177.700000112I55 C59 I174 G175 Q205 T206 C207I55-A203 HydrophobicContact CG2-CB 3.78Å; C59-A203 WeakPolarHBondContact SG-CB 3.39Å; I174-A203 HydrophobicContact CG2-CB 4.05Å; G175-A203 VanDerWaalsContact O-CB 3.25Å; G175-A203 WeakPolarHBondContact O-CB 3.37Å; A203-Q205 PolarHBondContact O-N 2.85Å; A203-T206 WeakPolarHBondContact O-CB 3.47Å; A203-T206 PolarHBondContact O-N 2.82Å; A203-C207 PolarHBondContact O-N 3.16Å; A203-C207 PolarHBondContact O-SG 2.68Å
204A98.7Very high98.1Very high11 Ų1139.5 Ų39.59%0.09122%0.218CC..Hα-helixtrans-64.3-39.4176.700000112.2Q58 C59 M62 S202 C207 A208Q58-A204 HydrophobicContact CB-CB 3.91Å; C59-A204 PolarHBondContact SG-N 3.42Å; C59-A204 VanDerWaalsContact SG-N 3.39Å; M62-A204 HydrophobicContact CG-CB 4Å; S202-A204 PolarHBondContact O-N 3.13Å; A204-C207 WeakPolarHBondContact O-CB 3.44Å; A204-C207 PolarHBondContact O-N 3.3Å; A204-A208 PolarHBondContact O-N 3.18Å
205Q98.5Very high98.1Very high84 Ų8440.9 Ų40.939%0.39323%0.225SC..Hα-helixtrans-70.1-35.6177.1-171.766.4-1600112.2L201 S202 A203 A208 R209L201-Q205 HydrophobicContact CB-CB 4.47Å; L201-Q205 HydrophobicContact CD2-CG 4.35Å; S202-Q205 PolarHBondContact O-N 3.32Å; S202-Q205 WeakPolarHBondContact OG-CB 3.48Å; S202-Q205 PolarHBondContact OG-N 3.4Å; A203-Q205 PolarHBondContact O-N 2.85Å; Q205-A208 PolarHBondContact O-N 2.8Å; Q205-R209 WeakPolarHBondContact O-CG 3.45Å; Q205-R209 PolarHBondContact O-N 3.15Å
206T98.7Very high98Very high13 Ų1346.5 Ų46.58%0.0825%0.25CS..Hα-helixtrans-60.9-45.7170.1-57.50000110.8M145 I174 I196 S202 A203 A208 R209 I210M145-T206 HydrophobicContact CB-CG2 4.1Å; M145-T206 HydrophobicContact CG-CG2 3.81Å; I174-T206 HydrophobicContact CD1-CG2 3.88Å; I174-T206 HydrophobicContact CG1-CG2 4.04Å; I174-T206 HydrophobicContact CG2-CG2 4.14Å; I196-T206 HydrophobicContact CD1-CG2 3.85Å; S202-T206 PolarHBondContact O-N 2.84Å; S202-T206 PolarHBondContact O-OG1 2.77Å; A203-T206 WeakPolarHBondContact O-CB 3.47Å; A203-T206 PolarHBondContact O-N 2.82Å; T206-A208 PolarHBondContact O-N 3.24Å; T206-R209 PolarHBondContact O-N 3.19Å; T206-I210 HydrophobicContact CG2-CG1 4.48Å; T206-I210 WeakPolarHBondContact O-CB 3.44Å; T206-I210 VanDerWaalsContact O-CG1 3.29Å; T206-I210 WeakPolarHBondContact O-CG1 3.3Å; T206-I210 PolarHBondContact O-N 2.94Å
207C98.8Very high97.9Very high0 Ų046.7 Ų46.70%025%0.252CS..Hα-helixtrans-56.7-49.7175.8-66.20000111.7M62 L63 I174 A203 A204 I210 C211M62-C207 HydrophobicContact CB-CB 4.39Å; L63-C207 HydrophobicContact CD2-CB 3.69Å; L63-C207 HydrophobicContact CG-CB 3.88Å; I174-C207 HydrophobicContact CD1-CB 4.42Å; I174-C207 VanDerWaalsContact CD1-SG 3.59Å; A203-C207 PolarHBondContact O-N 3.16Å; A203-C207 PolarHBondContact O-SG 2.68Å; A204-C207 WeakPolarHBondContact O-CB 3.44Å; A204-C207 PolarHBondContact O-N 3.3Å; C207-I210 PolarHBondContact O-N 3.27Å; C207-C211 PolarHBondContact O-N 2.72Å; C207-C211 PolarHBondContact O-SG 2.78Å
208A98.7Very high97.8Very high25 Ų2547.5 Ų47.521%0.20725%0.252CS..Hα-helixtrans-60.1-50.8-179.300000111.9A204 Q205 T206 I210 C211 T212A204-A208 PolarHBondContact O-N 3.18Å; Q205-A208 PolarHBondContact O-N 2.8Å; T206-A208 PolarHBondContact O-N 3.24Å; A208-I210 VanDerWaalsContact C-N 3.32Å; A208-I210 PolarHBondContact O-N 3.09Å; A208-C211 PolarHBondContact O-N 2.74Å; A208-T212 PolarHBondContact O-N 3.18Å; A208-T212 PolarHBondContact O-OG1 3.15Å; A208-T212 VanDerWaalsContact O-OG1 3.08Å
209R98.6Very high97.7Very high89 Ų8945.4 Ų45.434%0.33625%0.246SC..Hα-helixtrans-61.8-38.3-179.3-73.5-175.7177.8-173.92113.4P155 I196 S197 Q205 T206 A213P155-R209 HydrophobicContact CG-CB 4.15Å; I196-R209 HydrophobicContact CD1-CB 4.19Å; S197-R209 PolarHBondContact OG-NH1 3.29Å; S197-R209 VanDerWaalsContact OG-NH1 3.16Å; Q205-R209 WeakPolarHBondContact O-CG 3.45Å; Q205-R209 PolarHBondContact O-N 3.15Å; T206-R209 PolarHBondContact O-N 3.19Å; R209-A213 WeakPolarHBondContact O-CB 3.3Å; R209-A213 PolarHBondContact O-N 3.3Å; R209-A213 VanDerWaalsContact O-N 3.14Å
210I98.7Very high97.6Very high0 Ų038.4 Ų38.40%022%0.215CC..Hα-helixtrans-67.5-47.8176.2-68.7-65.9000110.1L9 I11 M145 L158 I172 I196 T206 C207 A208 T212 A213 F214L9-I210 HydrophobicContact CD1-CG2 4.48Å; L9-I210 HydrophobicContact CD2-CG2 3.89Å; I11-I210 HydrophobicContact CD1-CG2 4.25Å; M145-I210 HydrophobicContact SD-CD1 4.07Å; L158-I210 HydrophobicContact CD2-CD1 3.99Å; I172-I210 HydrophobicContact CG1-CG2 4.27Å; I196-I210 HydrophobicContact CD1-CD1 4.28Å; I196-I210 HydrophobicContact CD1-CG1 4.26Å; I196-I210 HydrophobicContact CG2-CD1 4.28Å; T206-I210 HydrophobicContact CG2-CG1 4.48Å; T206-I210 WeakPolarHBondContact O-CB 3.44Å; T206-I210 VanDerWaalsContact O-CG1 3.29Å; T206-I210 WeakPolarHBondContact O-CG1 3.3Å; T206-I210 PolarHBondContact O-N 2.94Å; C207-I210 PolarHBondContact O-N 3.27Å; A208-I210 VanDerWaalsContact C-N 3.32Å; A208-I210 PolarHBondContact O-N 3.09Å; I210-T212 PolarHBondContact O-N 3.31Å; I210-A213 PolarHBondContact O-N 2.88Å; I210-F214 HydrophobicContact CG2-CD2 4.05Å; I210-F214 HydrophobicContact CG2-CE2 4.15Å; I210-F214 WeakPolarHBondContact O-CD2 3.47Å; I210-F214 PolarHBondContact O-N 2.64Å; I210-F214 VanDerWaalsContact O-N 3.12Å
211C98.6Very high97.3Very high2 Ų239.2 Ų39.21%0.01421%0.21CC..Hα-helixtrans-58-48.7178.4-650000111.2L68 C207 A208 A213 F214 E215L68-C211 HydrophobicContact CD2-CB 4.44Å; C207-C211 PolarHBondContact O-N 2.72Å; C207-C211 PolarHBondContact O-SG 2.78Å; A208-C211 PolarHBondContact O-N 2.74Å; C211-A213 VanDerWaalsContact C-N 3.31Å; C211-A213 PolarHBondContact O-N 3.18Å; C211-F214 PolarHBondContact O-N 3.19Å; C211-F214 VanDerWaalsContact O-N 3.13Å; C211-E215 WeakPolarHBondContact O-CB 3.33Å; C211-E215 WeakPolarHBondContact O-CG 3.47Å; C211-E215 PolarHBondContact O-N 2.95Å
212T98.6Very high96.9Very high78 Ų7841.7 Ų41.748%0.47922%0.224SC..Hα-helixtrans-57.9-40.7178.6-57.50000113A208 I210 E215 E216A208-T212 PolarHBondContact O-N 3.18Å; A208-T212 PolarHBondContact O-OG1 3.15Å; A208-T212 VanDerWaalsContact O-OG1 3.08Å; I210-T212 PolarHBondContact O-N 3.31Å; T212-E215 WeakPolarHBondContact CA-OE2 3.33Å; T212-E215 WeakPolarHBondContact O-CB 3.18Å; T212-E215 PolarHBondContact O-N 3.33Å; T212-E216 PolarHBondContact O-N 3.3Å; T212-E216 VanDerWaalsContact O-N 3.08Å
213A98.5Very high96.1Very high4 Ų441.8 Ų41.83%0.03322%0.218CC..Hα-helixtrans-64.1-42.517700000112.9P155 A159 R209 I210 C211 E216 V217P155-A213 HydrophobicContact CB-CB 3.66Å; P155-A213 WeakPolarHBondContact O-CB 3.17Å; A159-A213 HydrophobicContact CB-CB 4.08Å; R209-A213 WeakPolarHBondContact O-CB 3.3Å; R209-A213 PolarHBondContact O-N 3.3Å; R209-A213 VanDerWaalsContact O-N 3.14Å; I210-A213 PolarHBondContact O-N 2.88Å; C211-A213 VanDerWaalsContact C-N 3.31Å; C211-A213 PolarHBondContact O-N 3.18Å; A213-E216 PolarHBondContact O-N 3.39Å; A213-V217 WeakPolarHBondContact O-CG2 3.48Å; A213-V217 PolarHBondContact O-N 3.02Å; A213-V217 VanDerWaalsContact O-N 3.14Å
214F98.1Very high94.8Very high0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-70.5-33.7176.8-84.2-99000112.1L9 L68 A159 Q163 V170 I210 C211 E216 V217 W218L9-F214 HydrophobicContact CB-CD1 4.42Å; L9-F214 HydrophobicContact CD1-CD1 4.3Å; L9-F214 HydrophobicContact CD1-CD2 4.24Å; L9-F214 HydrophobicContact CD1-CE1 4.03Å; L9-F214 HydrophobicContact CD1-CE2 3.98Å; L9-F214 HydrophobicContact CD1-CG 4.4Å; L9-F214 HydrophobicContact CD1-CZ 3.88Å; L9-F214 HydrophobicContact CD2-CB 4.31Å; L9-F214 HydrophobicContact CD2-CD2 4.06Å; L9-F214 HydrophobicContact CD2-CG 4.03Å; L68-F214 HydrophobicContact CD1-CB 4.37Å; L68-F214 HydrophobicContact CD2-CB 3.97Å; A159-F214 HydrophobicContact CB-CD2 3.85Å; A159-F214 HydrophobicContact CB-CE2 3.88Å; A159-F214 HydrophobicContact CB-CG 4.18Å; A159-F214 HydrophobicContact CB-CZ 4.22Å; Q163-F214 HydrophobicContact CG-CD1 4.36Å; Q163-F214 HydrophobicContact CG-CE1 3.95Å; V170-F214 HydrophobicContact CG1-CE1 3.49Å; V170-F214 VanDerWaalsContact CG1-CE1 3.49Å; V170-F214 HydrophobicContact CG1-CZ 3.49Å; V170-F214 VanDerWaalsContact CG1-CZ 3.49Å; I210-F214 HydrophobicContact CG2-CD2 4.05Å; I210-F214 HydrophobicContact CG2-CE2 4.15Å; I210-F214 WeakPolarHBondContact O-CD2 3.47Å; I210-F214 PolarHBondContact O-N 2.64Å; I210-F214 VanDerWaalsContact O-N 3.12Å; C211-F214 PolarHBondContact O-N 3.19Å; C211-F214 VanDerWaalsContact O-N 3.13Å; F214-E216 VanDerWaalsContact C-N 3.32Å; F214-E216 PolarHBondContact O-N 2.85Å; F214-V217 PolarHBondContact O-N 3.24Å; F214-W218 HydrophobicContact CB-CE3 4.49Å; F214-W218 HydrophobicContact CB-CZ3 4.49Å; F214-W218 HydrophobicContact CD1-CD2 4.44Å; F214-W218 HydrophobicContact CD1-CE3 4.49Å; F214-W218 AromaticContact CD1-CH2 3.65Å; F214-W218 HydrophobicContact CD1-CH2 3.65Å; F214-W218 AromaticContact CD1-CZ2 3.63Å; F214-W218 HydrophobicContact CD1-CZ2 3.63Å; F214-W218 HydrophobicContact CD1-CZ3 4.1Å; F214-W218 HydrophobicContact CE1-CH2 4.23Å; F214-W218 HydrophobicContact CE1-CZ2 4.03Å; F214-W218 WeakPolarHBondContact O-CB 3.46Å; F214-W218 PolarHBondContact O-N 3.25Å
215E97.6Very high93.3Very high29 Ų2948.1 Ų48.114%0.13625%0.248CC..Hα-helixtrans-59.8-43.1173.8-73159.5-17600111.8S66 P67 L68 C211 T212 C219 V220S66-E215 WeakPolarHBondContact CB-OE1 3.42Å; P67-E215 HydrophobicContact CB-CG 4.36Å; P67-E215 VanDerWaalsContact CD-OE1 3.22Å; P67-E215 WeakPolarHBondContact CD-OE1 3.18Å; L68-E215 HydrophobicContact CB-CG 3.83Å; L68-E215 WeakPolarHBondContact CB-OE1 3.22Å; L68-E215 HydrophobicContact CD1-CG 4.07Å; L68-E215 HydrophobicContact CG-CG 4.47Å; L68-E215 PolarHBondContact N-OE1 2.86Å; L68-E215 VanDerWaalsContact N-OE1 3.11Å; C211-E215 WeakPolarHBondContact O-CB 3.33Å; C211-E215 WeakPolarHBondContact O-CG 3.47Å; C211-E215 PolarHBondContact O-N 2.95Å; T212-E215 WeakPolarHBondContact CA-OE2 3.33Å; T212-E215 WeakPolarHBondContact O-CB 3.18Å; T212-E215 PolarHBondContact O-N 3.33Å; E215-C219 PolarHBondContact O-N 3.4Å; E215-C219 VanDerWaalsContact O-N 3.1Å; E215-V220 HydrophobicContact CB-CB 4.24Å; E215-V220 HydrophobicContact CB-CG2 4.25Å; E215-V220 HydrophobicContact CG-CB 4.33Å; E215-V220 HydrophobicContact CG-CG2 4.19Å; E215-V220 PolarHBondContact O-N 3.49Å
216E96.9Very high91.4Very high121 Ų12145.9 Ų45.957%0.56525%0.248SC*.Hα-helixtrans-67.5-47177.5-170174160.400111.7L156 T212 A213 F214 W218 C219L156-E216 HydrophobicContact CD1-CB 3.97Å; L156-E216 HydrophobicContact CD1-CG 3.92Å; T212-E216 PolarHBondContact O-N 3.3Å; T212-E216 VanDerWaalsContact O-N 3.08Å; A213-E216 PolarHBondContact O-N 3.39Å; F214-E216 VanDerWaalsContact C-N 3.32Å; F214-E216 PolarHBondContact O-N 2.85Å; E216-W218 VanDerWaalsContact C-N 3.33Å; E216-W218 PolarHBondContact O-N 2.97Å; E216-C219 PolarHBondContact O-N 3.03Å
217V96.8Very high89.2Confident21 Ų2151.6 Ų51.613%0.12727%0.274CS..Hα-helixtrans-67.7-32.2-179173.10000112.9L156 A159 E160 Q163 A213 F214L156-V217 HydrophobicContact CD1-CG2 3.74Å; A159-V217 HydrophobicContact CB-CB 4.17Å; A159-V217 HydrophobicContact CB-CG2 3.61Å; E160-V217 HydrophobicContact CG-CG2 3.63Å; Q163-V217 HydrophobicContact CB-CG1 3.73Å; Q163-V217 HydrophobicContact CG-CG1 4.14Å; A213-V217 WeakPolarHBondContact O-CG2 3.48Å; A213-V217 PolarHBondContact O-N 3.02Å; A213-V217 VanDerWaalsContact O-N 3.14Å; F214-V217 PolarHBondContact O-N 3.24Å
218W95.2Very high86.7Confident37 Ų3758.6 Ų58.614%0.1430%0.304CS..THydrogen-bonded Turntrans-93.16.1177-67.7-19.1000113.8V7 L9 L68 K73 Q163 F214 E216 V220V7-W218 HydrophobicContact CG1-CH2 4.28Å; V7-W218 HydrophobicContact CG1-CZ2 3.6Å; L9-W218 HydrophobicContact CB-CH2 3.96Å; L9-W218 HydrophobicContact CB-CZ3 4.17Å; L68-W218 HydrophobicContact CD1-CE3 3.49Å; L68-W218 VanDerWaalsContact CD1-CE3 3.49Å; L68-W218 HydrophobicContact CD1-CZ3 3.67Å; L68-W218 HydrophobicContact CD2-CZ3 4.45Å; L68-W218 HydrophobicContact CG-CZ3 4.39Å; K73-W218 HydrophobicContact CB-CE3 4.03Å; K73-W218 HydrophobicContact CB-CZ3 3.8Å; K73-W218 HydrophobicContact CD-CE3 4.26Å; K73-W218 HydrophobicContact CD-CZ3 4.28Å; K73-W218 HydrophobicContact CG-CE3 4.3Å; K73-W218 HydrophobicContact CG-CZ3 4.43Å; Q163-W218 HydrophobicContact CG-CZ2 4.23Å; Q163-W218 VanDerWaalsContact OE1-CZ2 3.31Å; F214-W218 HydrophobicContact CB-CE3 4.49Å; F214-W218 HydrophobicContact CB-CZ3 4.49Å; F214-W218 HydrophobicContact CD1-CD2 4.44Å; F214-W218 HydrophobicContact CD1-CE3 4.49Å; F214-W218 AromaticContact CD1-CH2 3.65Å; F214-W218 HydrophobicContact CD1-CH2 3.65Å; F214-W218 AromaticContact CD1-CZ2 3.63Å; F214-W218 HydrophobicContact CD1-CZ2 3.63Å; F214-W218 HydrophobicContact CD1-CZ3 4.1Å; F214-W218 HydrophobicContact CE1-CH2 4.23Å; F214-W218 HydrophobicContact CE1-CZ2 4.03Å; F214-W218 WeakPolarHBondContact O-CB 3.46Å; F214-W218 PolarHBondContact O-N 3.25Å; E216-W218 VanDerWaalsContact C-N 3.33Å; E216-W218 PolarHBondContact O-N 2.97Å; W218-V220 VanDerWaalsContact C-N 3.25Å; W218-V220 HydrophobicContact CB-CG2 4.17Å; W218-V220 PolarHBondContact O-N 3.18Å
219C94.3Very high84.2Confident66 Ų6662 Ų6245%0.44632%0.323SS..THydrogen-bonded Turntrans47.847.5-179.3-58.10000112.4E215 E216 E221 D222E215-C219 PolarHBondContact O-N 3.4Å; E215-C219 VanDerWaalsContact O-N 3.1Å; E216-C219 PolarHBondContact O-N 3.03Å; C219-E221 PolarHBondContact O-N 3.3Å; C219-E221 VanDerWaalsContact O-N 3.15Å; C219-D222 HydrophobicContact CB-CB 4.25Å; C219-D222 WeakPolarHBondContact CB-OD2 3.24Å; C219-D222 WeakPolarHBondContact O-CB 3.41Å; C219-D222 PolarHBondContact O-N 3.17Å
220V93.9Very high81.6Confident1 Ų165.4 Ų65.41%0.00634%0.343CS..Hα-helixtrans-57.5-34.5-169.7165.20000113P67 L68 V71 E215 W218 D222 I223P67-V220 HydrophobicContact CB-CG1 3.81Å; L68-V220 HydrophobicContact CD1-CG2 3.83Å; V71-V220 HydrophobicContact CB-CG1 4.48Å; V71-V220 HydrophobicContact CG1-CG1 3.83Å; V71-V220 HydrophobicContact CG2-CG1 3.8Å; V71-V220 HydrophobicContact CG2-CG2 4.16Å; E215-V220 HydrophobicContact CB-CB 4.24Å; E215-V220 HydrophobicContact CB-CG2 4.25Å; E215-V220 HydrophobicContact CG-CB 4.33Å; E215-V220 HydrophobicContact CG-CG2 4.19Å; E215-V220 PolarHBondContact O-N 3.49Å; W218-V220 VanDerWaalsContact C-N 3.25Å; W218-V220 HydrophobicContact CB-CG2 4.17Å; W218-V220 PolarHBondContact O-N 3.18Å; V220-D222 VanDerWaalsContact C-N 3.27Å; V220-D222 PolarHBondContact O-N 3.43Å; V220-I223 WeakPolarHBondContact O-CB 3.36Å; V220-I223 PolarHBondContact O-N 3.16Å
221E89.6Confident79.2Confident114 Ų11471.3 Ų71.353%0.53338%0.378SS..Hα-helixtrans-65.5-29.7177.5-63.2-62.5158.700112.7C219 N225C219-E221 PolarHBondContact O-N 3.3Å; C219-E221 VanDerWaalsContact O-N 3.15Å; E221-N225 PolarHBondContact O-N 2.99Å; E221-N225 PolarHBondContact O-ND2 3.46Å
222D89.7Confident76.8Confident100 Ų10079.6 Ų79.654%0.53542%0.417SS..Hα-helixtrans-75.9-26.5179.6-63.4-26.9000112.1C219 V220 L224 N225 G226C219-D222 HydrophobicContact CB-CB 4.25Å; C219-D222 WeakPolarHBondContact CB-OD2 3.24Å; C219-D222 WeakPolarHBondContact O-CB 3.41Å; C219-D222 PolarHBondContact O-N 3.17Å; V220-D222 VanDerWaalsContact C-N 3.27Å; V220-D222 PolarHBondContact O-N 3.43Å; D222-L224 VanDerWaalsContact C-N 3.29Å; D222-L224 PolarHBondContact O-N 3.14Å; D222-N225 PolarHBondContact O-N 2.92Å; D222-G226 PolarHBondContact O-N 2.99Å
223I81.4Confident74Confident69 Ų6984.5 Ų84.535%0.35445%0.447SS..Hα-helixtrans-59.3-44.6176.3-58.5176.8000109.9V220 G226 E227V220-I223 WeakPolarHBondContact O-CB 3.36Å; V220-I223 PolarHBondContact O-N 3.16Å; I223-G226 PolarHBondContact O-N 3.15Å; I223-E227 PolarHBondContact O-N 3.36Å
224L71.1Confident72.7Confident73 Ų7388.5 Ų88.538%0.38247%0.467SS..Hα-helixtrans-70.4-33.2179.6-65174.4000112.3V71 D222 K228V71-L224 HydrophobicContact CG1-CD2 4.34Å; V71-L224 HydrophobicContact CG1-CG 4.42Å; D222-L224 VanDerWaalsContact C-N 3.29Å; D222-L224 PolarHBondContact O-N 3.14Å; L224-K228 PolarHBondContact O-N 3.29Å
225N68.1Low71.4Confident84 Ų8493.2 Ų93.245%0.44949%0.492SS..Hα-helixtrans-72.1-38.6177.5-68.2-29.4000111.3E221 D222 E227 K228 T229E221-N225 PolarHBondContact O-N 2.99Å; E221-N225 PolarHBondContact O-ND2 3.46Å; D222-N225 PolarHBondContact O-N 2.92Å; N225-E227 VanDerWaalsContact C-N 3.33Å; N225-E227 PolarHBondContact O-N 3.25Å; N225-K228 PolarHBondContact O-N 3.32Å; N225-K228 VanDerWaalsContact O-N 3.13Å; N225-T229 PolarHBondContact O-N 3.3Å; N225-T229 VanDerWaalsContact O-N 3.14Å; N225-T229 PolarHBondContact O-OG1 3.21Å
226G58.3Low69.9Low38 Ų3896.7 Ų96.739%0.39251%0.512SS..Hα-helixtrans-62.3-36.2176.400000113.7D222 I223D222-G226 PolarHBondContact O-N 2.99Å; I223-G226 PolarHBondContact O-N 3.15Å
227E51.7Low68.4Low133 Ų13395.3 Ų95.362%0.62151%0.508SS*.Hα-helixtrans-67.9-34.6173.3-75.1-174.7161.300112.4I223 N225 V231I223-E227 PolarHBondContact O-N 3.36Å; N225-E227 VanDerWaalsContact C-N 3.33Å; N225-E227 PolarHBondContact O-N 3.25Å; E227-V231 WeakPolarHBondContact O-CG2 3.41Å
228K46.9Very low66.6Low146 Ų14699.9 Ų99.964%0.63553%0.532SS*.Hα-helixtrans-69.5-40.4178.3-73.9178.2-179.7175.90112.5L224 N225 Q230 V231L224-K228 PolarHBondContact O-N 3.29Å; N225-K228 PolarHBondContact O-N 3.32Å; N225-K228 VanDerWaalsContact O-N 3.13Å; K228-Q230 VanDerWaalsContact C-N 3.26Å; K228-Q230 PolarHBondContact O-N 2.93Å; K228-V231 PolarHBondContact O-N 2.98Å
229T45.9Very low64.7Low97 Ų97104.1 Ų104.160%0.59556%0.558SS**Hα-helixtrans-67.7-25.9-177.3-36.50000112.9N225 V231N225-T229 PolarHBondContact O-N 3.3Å; N225-T229 VanDerWaalsContact O-N 3.14Å; N225-T229 PolarHBondContact O-OG1 3.21Å; T229-V231 VanDerWaalsContact C-N 3.33Å
230Q43.9Very low62.5Low161 Ų161106.9 Ų106.975%0.75257%0.567SS**THydrogen-bonded Turntrans-79.5-11.3178.3-69.5-171.47.500114.3K228K228-Q230 VanDerWaalsContact C-N 3.26Å; K228-Q230 PolarHBondContact O-N 2.93Å
231V49.2Very low60.1Low123 Ų123115 Ų11575%0.74561%0.61SS**THydrogen-bonded Turntrans-92.6-10.1179.6-175.60000111.8E227 K228 T229E227-V231 WeakPolarHBondContact O-CG2 3.41Å; K228-V231 PolarHBondContact O-N 2.98Å; T229-V231 VanDerWaalsContact C-N 3.33Å
232E46.2Very low57.7Low177 Ų177115.1 Ų115.183%0.82762%0.616SS**  trans-103.913.7-176.6-70.3-171.5162.900115.2
233T39.8Very low54.8Low180 Ų180116.5 Ų116.5100%1.10462%0.623SS**  trans-121.70173.350.70000112.1

Retrieved 233 of 233 residues in 89.8 ms (Link to these results)

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