A0A060XAW9_ONCMY Loading...

ER membrane protein complex subunit 9

AlphaFold DB , UniProt , Accession A0A060XAW9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110489700, Length 205 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
1M53.4Low86.4Confident158 Ų15842.8 Ų42.878%0.77824%0.237SC*.  0127.60-164.8179.3-84.100106.7
2G63.4Low87.3Confident37 Ų3739.3 Ų39.338%0.38122%0.217SC..  trans-73.5164.2-159.300000115.1
3E76.2Confident88.2Confident118 Ų11836.3 Ų36.355%0.55120%0.201SC*.  trans-60.7148.1166.3-60.6167.3155.800109.5M148E3-M148 HydrophobicContact CB-CE 3.37Å; E3-M148 HydrophobicContact CB-CG 4.4Å; E3-M148 HydrophobicContact CB-SD 4.06Å; E3-M148 HydrophobicContact CG-CE 4.2Å; E3-M148 HydrophobicContact CG-SD 4.37Å; E3-M148 VanDerWaalsContact OE2-CE 3.22Å; E3-M148 WeakPolarHBondContact OE2-CE 3.39Å
4V87.8Confident88.9Confident5 Ų533.9 Ų33.93%0.0319%0.187CC..EExtended strand (participates in β ladder)trans-104.1124.5176.3177.80000107.9V40 V42 V111 M131 T146 I147 M148V4-V40 WeakPolarHBondContact CA-O 3.47Å; V4-V40 HydrophobicContact CG2-CB 4.38Å; V4-V42 HydrophobicContact CG1-CG2 4.31Å; V4-V111 HydrophobicContact CG1-CG1 4.36Å; V4-V111 HydrophobicContact CG2-CG1 3.81Å; V4-M131 HydrophobicContact CB-CE 4.37Å; V4-M131 HydrophobicContact CB-SD 4.18Å; V4-M131 HydrophobicContact CG2-CE 3.43Å; V4-M131 VanDerWaalsContact CG2-CE 3.43Å; V4-M131 HydrophobicContact CG2-SD 3.86Å; V4-T146 PolarHBondContact N-O 3.35Å; V4-I147 WeakPolarHBondContact O-CA 3.4Å; V4-M148 PolarHBondContact O-N 3Å
5E91.9Very high89.4Confident43 Ų4332.5 Ų32.520%0.20118%0.178CC..EExtended strand (participates in β ladder)trans-99.1127.3175.5-173.1170.7164.400109.6V40 C41 V42 M148 R150E5-V40 PolarHBondContact N-O 2.99Å; E5-C41 CarbonylContact O-C 3.47Å; E5-V42 PolarHBondContact O-N 3.46Å; E5-M148 CarbonylContact C-O 3.52Å; E5-M148 WeakPolarHBondContact CA-O 3.42Å; E5-M148 HydrophobicContact CB-CE 4.49Å; E5-R150 WeakPolarHBondContact OE1-CD 3.18Å; E5-R150 IonicContact OE1-CZ 3.47Å; E5-R150 VanDerWaalsContact OE1-CZ 3.24Å; E5-R150 IonicContact OE1-NE 3.43Å; E5-R150 PolarHBondContact OE1-NE 2.87Å; E5-R150 IonicContact OE1-NH1 3.33Å; E5-R150 IonicContact OE1-NH2 2.61Å; E5-R150 PolarHBondContact OE1-NH2 3.31Å; E5-R150 IonicContact OE2-CZ 2.68Å; E5-R150 IonicContact OE2-NE 3.24Å; E5-R150 PolarHBondContact OE2-NE 3.24Å; E5-R150 IonicContact OE2-NH2 2.94Å; E5-R150 PolarHBondContact OE2-NH2 3.04Å
6L93.8Very high89.9Confident3 Ų330.5 Ų30.52%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-109.4120.7175.7-175.362.8000109.2A10 Y11 V42 I129 I147 M148 L149L6-A10 HydrophobicContact CD1-CB 3.62Å; L6-Y11 HydrophobicContact CD2-CD2 4.24Å; L6-V42 HydrophobicContact CD1-CB 3.71Å; L6-V42 HydrophobicContact CD1-CG1 3.59Å; L6-V42 HydrophobicContact CD1-CG2 4.47Å; L6-I129 HydrophobicContact CD2-CD1 3.41Å; L6-I129 VanDerWaalsContact CD2-CD1 3.41Å; L6-I147 HydrophobicContact CB-CG2 4.04Å; L6-M148 PolarHBondContact N-O 3.39Å; L6-L149 HydrophobicContact CB-CG 4.49Å; L6-L149 HydrophobicContact CD2-CD1 4.02Å; L6-L149 HydrophobicContact CG-CD1 4.46Å
7S95.6Very high90.3Very high31 Ų3128.7 Ų28.722%0.21716%0.157CC..  trans-70.4155.717762.80000112.4L9 A10 Y11 V42 T43S7-L9 VanDerWaalsContact C-N 3.28Å; S7-L9 PolarHBondContact O-N 3.31Å; S7-A10 PolarHBondContact O-N 3.34Å; S7-A10 WeakPolarHBondContact OG-CB 3.37Å; S7-A10 PolarHBondContact OG-N 3.35Å; S7-Y11 PolarHBondContact O-N 3.45Å; S7-V42 VanDerWaalsContact CB-O 3.28Å; S7-V42 WeakPolarHBondContact CB-O 3.49Å; S7-V42 PolarHBondContact N-O 3.14Å; S7-V42 PolarHBondContact OG-O 3.08Å; S7-T43 VanDerWaalsContact OG-C 3.24Å; S7-T43 PolarHBondContact OG-O 3.46Å
8C96.2Very high90.6Very high27 Ų2727.6 Ų27.618%0.18215%0.154CC..Hα-helixtrans-52.4-47.7170.5-179.60000111.2A10 Y11 V12 T155C8-A10 PolarHBondContact O-N 3.46Å; C8-Y11 PolarHBondContact O-N 3.36Å; C8-V12 WeakPolarHBondContact O-CB 3.5Å; C8-V12 VanDerWaalsContact O-CG2 3.23Å; C8-V12 WeakPolarHBondContact O-CG2 3.29Å; C8-V12 PolarHBondContact O-N 3.04Å; C8-T155 HydrophobicContact CB-CG2 4.23Å; C8-T155 PolarHBondContact SG-OG1 3.05Å
9L97.5Very high90.8Very high41 Ų4128.1 Ų28.122%0.21516%0.159CC..Hα-helixtrans-57.5-51.6-179.4179.462.3000112.9S7 V12 K13 D44 N191 I194S7-L9 VanDerWaalsContact C-N 3.28Å; S7-L9 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 3.02Å; L9-K13 PolarHBondContact O-N 3.37Å; L9-K13 VanDerWaalsContact O-N 3.1Å; L9-D44 HydrophobicContact CD2-CB 4.34Å; L9-D44 WeakPolarHBondContact CD2-OD1 3.25Å; L9-D44 WeakPolarHBondContact CG-OD1 3.48Å; L9-N191 HydrophobicContact CD1-CB 3.99Å; L9-N191 HydrophobicContact CD2-CB 4.41Å; L9-I194 HydrophobicContact CD1-CB 4.08Å; L9-I194 HydrophobicContact CD1-CD1 3.68Å; L9-I194 HydrophobicContact CD1-CG1 4.49Å; L9-I194 HydrophobicContact CD1-CG2 4.1Å
10A97.5Very high91.1Very high0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-61.9-45.8179.200000111.3L6 S7 C8 M14 V42 C45L6-A10 HydrophobicContact CD1-CB 3.62Å; S7-A10 PolarHBondContact O-N 3.34Å; S7-A10 WeakPolarHBondContact OG-CB 3.37Å; S7-A10 PolarHBondContact OG-N 3.35Å; C8-A10 PolarHBondContact O-N 3.46Å; A10-M14 WeakPolarHBondContact O-CB 3.34Å; A10-M14 VanDerWaalsContact O-CG 3.23Å; A10-M14 WeakPolarHBondContact O-CG 3.45Å; A10-M14 PolarHBondContact O-N 3.49Å; A10-V42 HydrophobicContact CB-CG1 3.8Å; A10-C45 HydrophobicContact CB-CB 4.46Å; A10-C45 PolarHBondContact O-SG 3.06Å
11Y96.9Very high91.3Very high8 Ų829.3 Ų29.33%0.03116%0.162CC..Hα-helixtrans-59.4-51177.8174.4-90000112L6 S7 C8 K13 M14 Y15 P128 I129 L149 W152 T155 A159L6-Y11 HydrophobicContact CD2-CD2 4.24Å; S7-Y11 PolarHBondContact O-N 3.45Å; C8-Y11 PolarHBondContact O-N 3.36Å; Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.16Å; Y11-M14 WeakPolarHBondContact O-CB 3.42Å; Y11-M14 PolarHBondContact O-N 3.02Å; Y11-Y15 HydrophobicContact CE1-CG 4.3Å; Y11-Y15 WeakPolarHBondContact O-CB 3.37Å; Y11-Y15 PolarHBondContact O-N 3.32Å; Y11-Y15 WeakPolarHBondContact OH-CD2 3.46Å; Y11-P128 WeakPolarHBondContact OH-CD 3.38Å; Y11-I129 HydrophobicContact CD2-CD1 3.69Å; Y11-I129 HydrophobicContact CE2-CD1 3.95Å; Y11-I129 HydrophobicContact CE2-CG1 4.43Å; Y11-L149 HydrophobicContact CD2-CD1 3.63Å; Y11-L149 HydrophobicContact CE2-CD1 4.39Å; Y11-L149 HydrophobicContact CG-CD1 3.88Å; Y11-W152 HydrophobicContact CD1-CZ3 4.21Å; Y11-W152 HydrophobicContact CD2-CZ3 4.28Å; Y11-W152 HydrophobicContact CE1-CH2 4.16Å; Y11-W152 AromaticContact CE1-CZ3 3.64Å; Y11-W152 HydrophobicContact CE1-CZ3 3.64Å; Y11-W152 HydrophobicContact CE2-CH2 4.14Å; Y11-W152 AromaticContact CE2-CZ3 3.72Å; Y11-W152 HydrophobicContact CE2-CZ3 3.72Å; Y11-W152 AromaticContact CZ-CH2 3.62Å; Y11-W152 AromaticContact CZ-CZ3 3.38Å; Y11-W152 VanDerWaalsContact OH-CH2 3.32Å; Y11-W152 WeakPolarHBondContact OH-CH2 3.47Å; Y11-T155 HydrophobicContact CD1-CG2 3.35Å; Y11-T155 HydrophobicContact CE1-CG2 4.12Å; Y11-T155 HydrophobicContact CG-CG2 3.94Å; Y11-A159 HydrophobicContact CE1-CB 4.37Å
12V97.4Very high93Very high0 Ų026.4 Ų26.40%016%0.156CC..Hα-helixtrans-60.9-45.8-175.8172.10000109.8C8 L9 M14 Y15 L16 T155 I158 A159 L162 I194C8-V12 WeakPolarHBondContact O-CB 3.5Å; C8-V12 VanDerWaalsContact O-CG2 3.23Å; C8-V12 WeakPolarHBondContact O-CG2 3.29Å; C8-V12 PolarHBondContact O-N 3.04Å; L9-V12 PolarHBondContact O-N 3.02Å; V12-M14 PolarHBondContact O-N 3.35Å; V12-Y15 PolarHBondContact O-N 2.97Å; V12-L16 HydrophobicContact CG1-CD1 3.73Å; V12-L16 HydrophobicContact CG1-CG 4.01Å; V12-L16 WeakPolarHBondContact O-CB 3.27Å; V12-L16 WeakPolarHBondContact O-CG 3.48Å; V12-L16 PolarHBondContact O-N 3.08Å; V12-T155 HydrophobicContact CG2-CG2 4.13Å; V12-I158 HydrophobicContact CG2-CG2 4.22Å; V12-A159 HydrophobicContact CG2-CB 4.27Å; V12-L162 HydrophobicContact CG1-CD1 3.67Å; V12-I194 HydrophobicContact CB-CD1 3.96Å; V12-I194 HydrophobicContact CB-CG1 4.48Å; V12-I194 HydrophobicContact CG1-CD1 3.54Å; V12-I194 HydrophobicContact CG1-CG1 3.89Å
13K98.5Very high94.3Very high1 Ų135.5 Ų35.50%0.00418%0.178CC..Hα-helixtrans-62.2-42.5176.6-75.8-162.7-69.8-173.20113.1L9 Y11 Y15 H17 D44 C45 L171 N187 L190 N191 I194L9-K13 PolarHBondContact O-N 3.37Å; L9-K13 VanDerWaalsContact O-N 3.1Å; Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.16Å; K13-Y15 VanDerWaalsContact C-N 3.34Å; K13-Y15 PolarHBondContact O-N 3.38Å; K13-H17 WeakPolarHBondContact O-CB 3.33Å; K13-H17 PolarHBondContact O-N 2.97Å; K13-D44 WeakPolarHBondContact CE-OD1 3.49Å; K13-D44 IonicContact NZ-OD1 2.75Å; K13-D44 PolarHBondContact NZ-OD1 3.49Å; K13-D44 IonicContact NZ-OD2 3.9Å; K13-D44 PolarHBondContact NZ-OD2 2.87Å; K13-C45 WeakPolarHBondContact CB-SG 3.45Å; K13-C45 WeakPolarHBondContact CE-O 3.43Å; K13-C45 PolarHBondContact NZ-O 3.09Å; K13-L171 HydrophobicContact CB-CD1 4.37Å; K13-L171 VanDerWaalsContact O-CD1 3.29Å; K13-L171 WeakPolarHBondContact O-CD1 3.43Å; K13-N187 HydrophobicContact CD-CB 4.08Å; K13-L190 HydrophobicContact CD-CD2 4.49Å; K13-L190 HydrophobicContact CG-CD2 4.12Å; K13-N191 WeakPolarHBondContact CD-OD1 3.34Å; K13-N191 WeakPolarHBondContact CE-OD1 3.27Å; K13-N191 PolarHBondContact NZ-OD1 3.37Å; K13-I194 HydrophobicContact CG-CD1 4.2Å
14M97.8Very high95.1Very high2 Ų232.3 Ų32.31%0.0117%0.168CC..Hα-helixtrans-58-46.8174.1-74172.55700112A10 Y11 V12 H17 G18 L30 C45 Y81 L113 I115 I129A10-M14 WeakPolarHBondContact O-CB 3.34Å; A10-M14 VanDerWaalsContact O-CG 3.23Å; A10-M14 WeakPolarHBondContact O-CG 3.45Å; A10-M14 PolarHBondContact O-N 3.49Å; Y11-M14 WeakPolarHBondContact O-CB 3.42Å; Y11-M14 PolarHBondContact O-N 3.02Å; V12-M14 PolarHBondContact O-N 3.35Å; M14-H17 PolarHBondContact O-N 2.84Å; M14-G18 PolarHBondContact O-N 2.7Å; M14-L30 HydrophobicContact SD-CD2 3.64Å; M14-C45 HydrophobicContact CG-CB 4.33Å; M14-Y81 HydrophobicContact CB-CE2 4.39Å; M14-Y81 HydrophobicContact CE-CD1 4.49Å; M14-Y81 HydrophobicContact CE-CD2 4.21Å; M14-Y81 HydrophobicContact CE-CG 3.9Å; M14-Y81 HydrophobicContact CG-CD1 3.77Å; M14-Y81 HydrophobicContact CG-CD2 4.11Å; M14-Y81 HydrophobicContact CG-CE1 3.75Å; M14-Y81 HydrophobicContact CG-CE2 4.1Å; M14-Y81 HydrophobicContact CG-CG 3.92Å; M14-Y81 HydrophobicContact SD-CD1 4.21Å; M14-Y81 HydrophobicContact SD-CG 4.21Å; M14-L113 HydrophobicContact CE-CB 4.21Å; M14-L113 HydrophobicContact CE-CD1 4.1Å; M14-L113 HydrophobicContact SD-CD1 4.37Å; M14-I115 HydrophobicContact CB-CD1 4.02Å; M14-I115 HydrophobicContact CE-CD1 4.03Å; M14-I115 HydrophobicContact CE-CG1 3.95Å; M14-I129 HydrophobicContact CE-CD1 4.25Å
15Y96.5Very high95.4Very high14 Ų1433.9 Ų33.96%0.05518%0.18CC..Hα-helixtrans-64.4-50.4-179.5179.6-98.5000111.6Y11 V12 K13 H17 G18 C19 M120 A159 L163Y11-Y15 HydrophobicContact CE1-CG 4.3Å; Y11-Y15 WeakPolarHBondContact O-CB 3.37Å; Y11-Y15 PolarHBondContact O-N 3.32Å; Y11-Y15 WeakPolarHBondContact OH-CD2 3.46Å; V12-Y15 PolarHBondContact O-N 2.97Å; K13-Y15 VanDerWaalsContact C-N 3.34Å; K13-Y15 PolarHBondContact O-N 3.38Å; Y15-H17 VanDerWaalsContact C-N 3.27Å; Y15-H17 PolarHBondContact O-N 3.14Å; Y15-G18 PolarHBondContact O-N 3.38Å; Y15-G18 VanDerWaalsContact O-N 3.13Å; Y15-C19 PolarHBondContact O-N 3.19Å; Y15-C19 PolarHBondContact O-SG 3.04Å; Y15-C19 VanDerWaalsContact O-SG 3.37Å; Y15-M120 HydrophobicContact CD2-CE 3.4Å; Y15-M120 VanDerWaalsContact CD2-CE 3.4Å; Y15-M120 HydrophobicContact CE2-CB 4.07Å; Y15-M120 HydrophobicContact CE2-CE 3.63Å; Y15-M120 HydrophobicContact CE2-CG 4.34Å; Y15-M120 HydrophobicContact CG-CE 4.12Å; Y15-M120 WeakPolarHBondContact O-CE 3.28Å; Y15-M120 PolarHBondContact OH-O 3.42Å; Y15-A159 HydrophobicContact CD1-CB 3.75Å; Y15-A159 HydrophobicContact CE1-CB 4.02Å; Y15-A159 HydrophobicContact CG-CB 4.48Å; Y15-L163 HydrophobicContact CE1-CD1 3.49Å; Y15-L163 VanDerWaalsContact CE1-CD1 3.49Å; Y15-L163 HydrophobicContact CE1-CG 4.11Å
16L97.5Very high95.6Very high0 Ų031.9 Ų31.90%017%0.17CC..Hα-helixtrans-61.1-35.9177.8-65.5-176.4000111.9V12 G18 C19 L20 L162 L163 H168 L171 L190V12-L16 HydrophobicContact CG1-CD1 3.73Å; V12-L16 HydrophobicContact CG1-CG 4.01Å; V12-L16 WeakPolarHBondContact O-CB 3.27Å; V12-L16 WeakPolarHBondContact O-CG 3.48Å; V12-L16 PolarHBondContact O-N 3.08Å; L16-G18 PolarHBondContact O-N 3.4Å; L16-C19 PolarHBondContact O-N 3.26Å; L16-L20 WeakPolarHBondContact O-CB 3.5Å; L16-L20 PolarHBondContact O-N 2.91Å; L16-L162 HydrophobicContact CD1-CB 4.19Å; L16-L162 HydrophobicContact CD1-CD1 4.03Å; L16-L162 HydrophobicContact CD2-CB 4.31Å; L16-L163 HydrophobicContact CD2-CD2 3.83Å; L16-L163 HydrophobicContact CD2-CG 4.07Å; L16-H168 HydrophobicContact CD1-CB 4.49Å; L16-H168 HydrophobicContact CD2-CB 3.69Å; L16-H168 HydrophobicContact CG-CB 4.42Å; L16-L171 HydrophobicContact CB-CD1 3.74Å; L16-L190 HydrophobicContact CD1-CD1 4.19Å; L16-L190 HydrophobicContact CD1-CD2 4.23Å
17H97.9Very high95.8Very high0 Ų031.7 Ų31.70%017%0.17CC..Hα-helixtrans-60.2-45.7175.1-171.5-159.9000111.5K13 M14 Y15 L20 F21 N27 P47 Y81 L171 D173K13-H17 WeakPolarHBondContact O-CB 3.33Å; K13-H17 PolarHBondContact O-N 2.97Å; M14-H17 PolarHBondContact O-N 2.84Å; Y15-H17 VanDerWaalsContact C-N 3.27Å; Y15-H17 PolarHBondContact O-N 3.14Å; H17-L20 PolarHBondContact O-N 3.13Å; H17-F21 AromaticContact CD2-CD2 3.55Å; H17-F21 AromaticContact CD2-CE2 3.66Å; H17-F21 AromaticContact NE2-CD2 3.74Å; H17-F21 AromaticContact NE2-CE2 3.74Å; H17-F21 WeakPolarHBondContact O-CD2 3.39Å; H17-F21 PolarHBondContact O-N 2.87Å; H17-N27 PolarHBondContact CE1-O 3.3Å; H17-N27 VanDerWaalsContact CE1-O 3.22Å; H17-N27 PolarHBondContact ND1-O 2.82Å; H17-P47 HydrophobicContact CB-CB 4.26Å; H17-P47 HydrophobicContact CB-CG 4.43Å; H17-Y81 AromaticContact ND1-CE2 3.94Å; H17-Y81 AromaticContact ND1-CZ 3.85Å; H17-Y81 PolarHBondContact ND1-OH 2.66Å; H17-L171 HydrophobicContact CB-CD1 4.21Å; H17-L171 HydrophobicContact CB-CD2 4.15Å; H17-D173 IonicContact NE2-OD2 2.62Å; H17-D173 PolarHBondContact NE2-OD2 3.27Å
18G95.4Very high95.9Very high9 Ų930.2 Ų30.29%0.09316%0.159CC..Hα-helixtrans-64.5-39.6175.300000113.1M14 Y15 L16 F21 P22M14-G18 PolarHBondContact O-N 2.7Å; Y15-G18 PolarHBondContact O-N 3.38Å; Y15-G18 VanDerWaalsContact O-N 3.13Å; L16-G18 PolarHBondContact O-N 3.4Å; G18-F21 CarbonylContact O-C 3.53Å; G18-F21 PolarHBondContact O-N 3.36Å; G18-P22 WeakPolarHBondContact O-CA 3.4Å
19C94.7Very high96Very high37 Ų3729 Ų2925%0.2515%0.151CC..Hα-helixtrans-68.8-32.5177.5-66.60000113.5Y15 L16 F21 P22 L163Y15-C19 PolarHBondContact O-N 3.19Å; Y15-C19 PolarHBondContact O-SG 3.04Å; Y15-C19 VanDerWaalsContact O-SG 3.37Å; L16-C19 PolarHBondContact O-N 3.26Å; C19-F21 VanDerWaalsContact C-N 3.29Å; C19-F21 PolarHBondContact O-N 2.93Å; C19-P22 WeakPolarHBondContact O-CD 3.42Å; C19-L163 HydrophobicContact CB-CD2 3.64Å
20L95.8Very high96Very high47 Ų4727 Ų2725%0.24614%0.14CC..Hα-helixtrans-68.8-30.8178-169.863.5000111.7L16 H17 P22 L171L16-L20 WeakPolarHBondContact O-CB 3.5Å; L16-L20 PolarHBondContact O-N 2.91Å; H17-L20 PolarHBondContact O-N 3.13Å; L20-P22 VanDerWaalsContact C-CD 3.5Å; L20-P22 WeakPolarHBondContact O-CD 3.28Å; L20-L171 HydrophobicContact CD2-CB 4.49Å; L20-L171 HydrophobicContact CD2-CD2 4.05Å
21F94.9Very high96Very high34 Ų3427 Ų2715%0.14914%0.14CC..SBendtrans-126.762.3-178.7-53.2-72.6000112.6H17 G18 C19 R23 C24 V26 H50H17-F21 AromaticContact CD2-CD2 3.55Å; H17-F21 AromaticContact CD2-CE2 3.66Å; H17-F21 AromaticContact NE2-CD2 3.74Å; H17-F21 AromaticContact NE2-CE2 3.74Å; H17-F21 WeakPolarHBondContact O-CD2 3.39Å; H17-F21 PolarHBondContact O-N 2.87Å; G18-F21 CarbonylContact O-C 3.53Å; G18-F21 PolarHBondContact O-N 3.36Å; C19-F21 VanDerWaalsContact C-N 3.29Å; C19-F21 PolarHBondContact O-N 2.93Å; F21-R23 PolarHBondContact O-N 2.98Å; F21-C24 HydrophobicContact CB-CB 3.95Å; F21-C24 PolarHBondContact O-N 2.95Å; F21-V26 HydrophobicContact CB-CG1 3.8Å; F21-V26 HydrophobicContact CD2-CG1 4.04Å; F21-V26 HydrophobicContact CG-CG1 4.35Å; F21-H50 HydrophobicContact CB-CB 4.02Å; F21-H50 HydrophobicContact CD1-CB 3.9Å; F21-H50 AromaticContact CD1-CD2 3.37Å; F21-H50 WeakPolarHBondContact CD1-CD2 3.17Å; F21-H50 AromaticContact CD1-CG 3.63Å; F21-H50 HydrophobicContact CD2-CB 3.27Å; F21-H50 AromaticContact CD2-CG 3.68Å; F21-H50 HydrophobicContact CE1-CB 4.13Å; F21-H50 AromaticContact CE1-CD2 3.22Å; F21-H50 WeakPolarHBondContact CE1-CD2 3.4Å; F21-H50 AromaticContact CE1-CE1 3.74Å; F21-H50 AromaticContact CE1-CG 3.45Å; F21-H50 VanDerWaalsContact CE1-CG 3.45Å; F21-H50 AromaticContact CE1-ND1 3.75Å; F21-H50 AromaticContact CE1-NE2 3.42Å; F21-H50 WeakPolarHBondContact CE1-NE2 3.38Å; F21-H50 HydrophobicContact CE2-CB 3.52Å; F21-H50 AromaticContact CE2-CG 3.48Å; F21-H50 VanDerWaalsContact CE2-CG 3.48Å; F21-H50 AromaticContact CE2-ND1 3.6Å; F21-H50 HydrophobicContact CG-CB 3.46Å; F21-H50 VanDerWaalsContact CG-CB 3.46Å; F21-H50 AromaticContact CG-CD2 3.91Å; F21-H50 AromaticContact CG-CG 3.74Å; F21-H50 HydrophobicContact CZ-CB 3.95Å; F21-H50 AromaticContact CZ-CD2 3.64Å; F21-H50 AromaticContact CZ-CE1 3.57Å; F21-H50 AromaticContact CZ-CG 3.36Å; F21-H50 AromaticContact CZ-ND1 3.31Å; F21-H50 VanDerWaalsContact CZ-ND1 3.31Å; F21-H50 WeakPolarHBondContact CZ-ND1 3.4Å; F21-H50 AromaticContact CZ-NE2 3.76Å
22P90.5Very high95.9Very high98 Ų9826.8 Ų26.864%0.63614%0.14SC*.THydrogen-bonded Turntrans-69.3-12.2-165.829.2-36.5000114.6G18 C19 L20G18-P22 WeakPolarHBondContact O-CA 3.4Å; C19-P22 WeakPolarHBondContact O-CD 3.42Å; L20-P22 VanDerWaalsContact C-CD 3.5Å; L20-P22 WeakPolarHBondContact O-CD 3.28Å
23R88.9Confident95.6Very high227 Ų22730 Ų3086%0.85716%0.162SC*.THydrogen-bonded Turntrans-109.23.3177.8-60.1-165.1-65.8158.9-1.5113.1F21F21-R23 PolarHBondContact O-N 2.98Å
24C92.9Very high94.8Very high51 Ų5131.9 Ų31.935%0.34518%0.176SC..SBendtrans-109.2161-179.5-58.90000110.5F21 H50F21-C24 HydrophobicContact CB-CB 3.95Å; F21-C24 PolarHBondContact O-N 2.95Å; C24-H50 VanDerWaalsContact CB-O 3.26Å; C24-H50 WeakPolarHBondContact CB-O 3.15Å
25S94.6Very high93.7Very high38 Ų3837.4 Ų37.427%0.26621%0.212SC..  trans-80.5138.8158.9-55.10000107.4L53 A83 A85S25-L53 VanDerWaalsContact O-CD1 3.23Å; S25-L53 WeakPolarHBondContact O-CD1 3.01Å; S25-A83 CarbonylContact C-O 3.59Å; S25-A83 WeakPolarHBondContact CA-O 3.36Å; S25-A83 WeakPolarHBondContact CB-O 3.28Å; S25-A85 PolarHBondContact OG-N 3.02Å
26V96.8Very high92.4Very high1 Ų140.4 Ų40.41%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-123.7151.6176.8-64.20000110.1F21 L49 H50 Q82 A83F21-V26 HydrophobicContact CB-CG1 3.8Å; F21-V26 HydrophobicContact CD2-CG1 4.04Å; F21-V26 HydrophobicContact CG-CG1 4.35Å; V26-L49 CarbonylContact C-O 2.95Å; V26-L49 VanDerWaalsContact CA-O 3.28Å; V26-L49 WeakPolarHBondContact CA-O 3.29Å; V26-H50 HydrophobicContact CG1-CB 3.89Å; V26-Q82 CarbonylContact O-C 3.52Å; V26-Q82 VanDerWaalsContact O-CA 3.29Å; V26-Q82 WeakPolarHBondContact O-CA 3.28Å; V26-A83 HydrophobicContact CG2-CB 3.61Å; V26-A83 PolarHBondContact N-O 3.46Å; V26-A83 PolarHBondContact O-N 3.1Å
27N97.3Very high90.8Very high0 Ų044.2 Ų44.20%028%0.279CS..EExtended strand (participates in β ladder)trans-142.5172.7173.969.910.4000113.2H17 L48 L49 L53 Y80 Y81 Q82H17-N27 PolarHBondContact CE1-O 3.3Å; H17-N27 VanDerWaalsContact CE1-O 3.22Å; H17-N27 PolarHBondContact ND1-O 2.82Å; N27-L48 PolarHBondContact O-N 3.25Å; N27-L49 PolarHBondContact N-O 3.41Å; N27-L49 WeakPolarHBondContact OD1-CA 3.36Å; N27-L49 WeakPolarHBondContact OD1-CB 3.43Å; N27-L49 PolarHBondContact OD1-N 2.85Å; N27-L49 PolarHBondContact OD1-O 3.41Å; N27-L53 HydrophobicContact CB-CD2 4.05Å; N27-Y80 HydrophobicContact CB-CE1 4.36Å; N27-Y80 HydrophobicContact CB-CE2 3.79Å; N27-Y80 WeakPolarHBondContact CB-OH 3.41Å; N27-Y80 PolarHBondContact ND2-OH 3.24Å; N27-Y81 CarbonylContact C-O 3.54Å; N27-Y81 WeakPolarHBondContact CA-O 3.35Å; N27-Y81 WeakPolarHBondContact CB-O 3.18Å; N27-Q82 HydrophobicContact CB-CB 4.48Å
28G97.9Very high89.5Confident0 Ų046.3 Ų46.30%030%0.3CS..EExtended strand (participates in β ladder)trans-177.6-179.6172.200000113.9V46 Y80 Y81G28-V46 CarbonylContact C-O 3.43Å; G28-V46 WeakPolarHBondContact CA-O 3.19Å; G28-Y80 CarbonylContact O-C 3.56Å; G28-Y80 WeakPolarHBondContact O-CA 3.27Å; G28-Y80 WeakPolarHBondContact O-CD2 3.37Å; G28-Y81 VanDerWaalsContact C-CD1 3.44Å; G28-Y81 PolarHBondContact N-O 2.94Å; G28-Y81 WeakPolarHBondContact O-CD1 3.38Å; G28-Y81 PolarHBondContact O-N 3.13Å
29L98.3Very high88.5Confident0 Ų048.6 Ų48.60%032%0.318CS..EExtended strand (participates in β ladder)trans-106.5138.1-174.9-59.7170.5000110.2C45 V46 L48 L63 V66 I77 Y80 I103L29-C45 CarbonylContact O-C 3.48Å; L29-C45 WeakPolarHBondContact O-CA 3.47Å; L29-C45 VanDerWaalsContact O-CB 3.29Å; L29-C45 WeakPolarHBondContact O-CB 3.35Å; L29-V46 PolarHBondContact N-O 3.35Å; L29-V46 PolarHBondContact O-N 2.94Å; L29-L48 HydrophobicContact CD1-CD1 4.34Å; L29-L63 HydrophobicContact CD1-CD2 3.83Å; L29-L63 HydrophobicContact CD2-CD2 3.56Å; L29-L63 HydrophobicContact CG-CD2 4.32Å; L29-V66 HydrophobicContact CD1-CB 3.8Å; L29-V66 HydrophobicContact CD1-CG1 3.77Å; L29-V66 HydrophobicContact CD1-CG2 3.99Å; L29-I77 HydrophobicContact CB-CG2 4.45Å; L29-I77 HydrophobicContact CD1-CD1 4.11Å; L29-I77 HydrophobicContact CD2-CG2 4.26Å; L29-Y80 HydrophobicContact CD2-CD2 4.23Å; L29-I103 HydrophobicContact CD2-CD1 4.03Å
30L97.9Very high88Confident0 Ų047.5 Ų47.50%031%0.31CS..EExtended strand (participates in β ladder)trans-97.4132.6177.7-57.2172.1000108.7M14 V42 C45 V78 G79 Y81 V111 L113M14-L30 HydrophobicContact SD-CD2 3.64Å; L30-V42 HydrophobicContact CB-CG1 3.92Å; L30-V42 HydrophobicContact CB-CG2 4.42Å; L30-V42 HydrophobicContact CD2-CG1 4.03Å; L30-V42 HydrophobicContact CG-CG1 4.45Å; L30-C45 HydrophobicContact CD2-CB 4.02Å; L30-V78 HydrophobicContact CB-CG2 4.3Å; L30-V78 WeakPolarHBondContact O-CG2 3.44Å; L30-V78 PolarHBondContact O-N 2.9Å; L30-G79 PolarHBondContact N-O 3.26Å; L30-G79 PolarHBondContact O-N 3.4Å; L30-Y81 HydrophobicContact CD2-CD1 3.8Å; L30-Y81 HydrophobicContact CD2-CG 4.45Å; L30-Y81 HydrophobicContact CG-CD1 4.41Å; L30-V111 HydrophobicContact CD1-CG2 3.69Å; L30-L113 HydrophobicContact CD1-CB 4.31Å; L30-L113 HydrophobicContact CD1-CD1 3.52Å; L30-L113 HydrophobicContact CD1-CG 3.63Å; L30-L113 HydrophobicContact CD2-CD1 4.26Å
31L97.2Very high87.8Confident0 Ų046.9 Ų46.90%031%0.31CS..EExtended strand (participates in β ladder)trans-116.6149.1-172.6-53.8-173.8000111.4V42 T43 D44 V46 V66 W69 R76 I77L31-V42 CarbonylContact O-C 3.59Å; L31-V42 WeakPolarHBondContact O-CA 3.28Å; L31-T43 PolarHBondContact O-N 3.39Å; L31-T43 PolarHBondContact O-OG1 3.31Å; L31-D44 HydrophobicContact CB-CB 4.26Å; L31-D44 PolarHBondContact N-O 3Å; L31-D44 PolarHBondContact O-N 3.44Å; L31-V46 HydrophobicContact CD1-CG2 3.78Å; L31-V46 HydrophobicContact CG-CG2 4.45Å; L31-V66 HydrophobicContact CD2-CG1 4.19Å; L31-W69 HydrophobicContact CD1-CE3 4.5Å; L31-W69 HydrophobicContact CD1-CH2 4.42Å; L31-W69 HydrophobicContact CD1-CZ3 3.61Å; L31-R76 WeakPolarHBondContact CA-O 3.08Å; L31-I77 HydrophobicContact CD2-CG1 3.95Å
32S95.3Very high87.8Confident4 Ų445.4 Ų45.43%0.02830%0.303CS..EExtended strand (participates in β ladder)trans-133.3142.3170.8-167.90000110.2S34 C41 T43 Q75 R76 V78S32-S34 WeakPolarHBondContact OG-CB 3.39Å; S32-S34 PolarHBondContact OG-N 2.91Å; S32-S34 VanDerWaalsContact OG-N 3.13Å; S32-C41 WeakPolarHBondContact CB-O 3.39Å; S32-C41 PolarHBondContact OG-O 3.42Å; S32-T43 WeakPolarHBondContact CA-OG1 3.46Å; S32-Q75 CarbonylContact O-C 3.58Å; S32-Q75 WeakPolarHBondContact O-CA 3.42Å; S32-R76 PolarHBondContact N-O 3.15Å; S32-R76 VanDerWaalsContact O-CG 3.28Å; S32-R76 WeakPolarHBondContact O-CG 3.27Å; S32-R76 PolarHBondContact O-N 3.34Å; S32-V78 VanDerWaalsContact CB-CG1 3.45Å
33S90.8Very high88.1Confident66 Ų6642.9 Ų42.946%0.46229%0.286SS..  trans-96.8-0.7167.3-460000111.8T43 Q75S33-T43 PolarHBondContact N-OG1 2.96Å; S33-T43 PolarHBondContact OG-OG1 2.94Å; S33-Q75 PolarHBondContact OG-NE2 3.5Å
34S81.1Confident88.5Confident42 Ų4232.4 Ų32.429%0.29425%0.247SC..SBendtrans-78.3147.3-178.8-64.70000112S32S32-S34 WeakPolarHBondContact OG-CB 3.39Å; S32-S34 PolarHBondContact OG-N 2.91Å; S32-S34 VanDerWaalsContact OG-N 3.13Å
35P74.4Confident88.8Confident118 Ų11830 Ų3077%0.76623%0.231SC*.PPolyproline II helixtrans-57.5151.9175-22.432000113.1
36A71.1Confident89Confident77 Ų7728.2 Ų28.264%0.63622%0.219SC*.THydrogen-bonded Turntrans-61.9138.1175.400000111.6
37G63.8Low89Confident80 Ų8028.2 Ų28.283%0.82522%0.218SC*.THydrogen-bonded Turntrans107.7-1168.200000116.6
38G69.1Low89Confident43 Ų4328.2 Ų28.244%0.44322%0.218SC..SBendtrans-102.7-167.6175.300000115N109G38-N109 PolarHBondContact O-ND2 3.3Å; G38-N109 VanDerWaalsContact O-ND2 3.13Å
39A75.3Confident88.9Confident57 Ų5728.3 Ų28.347%0.47122%0.219SC..  trans-58.2144.8164.900000110.1C41A39-C41 PolarHBondContact O-N 3.42Å
40V84.1Confident88.7Confident15 Ų1529.8 Ų29.89%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-84.1109.6-176.7179.60000108.8V4 E5 V42 V78 N109 V111V4-V40 WeakPolarHBondContact CA-O 3.47Å; V4-V40 HydrophobicContact CG2-CB 4.38Å; E5-V40 PolarHBondContact N-O 2.99Å; V40-V42 HydrophobicContact CG1-CG2 4.13Å; V40-V78 HydrophobicContact CG1-CB 4.06Å; V40-V78 HydrophobicContact CG1-CG2 4Å; V40-N109 HydrophobicContact CG2-CB 3.4Å; V40-N109 WeakPolarHBondContact CG2-O 3.49Å; V40-V111 HydrophobicContact CG1-CG1 4.35Å
41C91.8Very high88Confident34 Ų3431.5 Ų31.523%0.2324%0.238CC..EExtended strand (participates in β ladder)trans-100.5107.1171.9-58.60000108.5E5 S32 A39 T43E5-C41 CarbonylContact O-C 3.47Å; S32-C41 WeakPolarHBondContact CB-O 3.39Å; S32-C41 PolarHBondContact OG-O 3.42Å; A39-C41 PolarHBondContact O-N 3.42Å; C41-T43 PolarHBondContact O-N 3.41Å
42V95.4Very high87Confident2 Ų237.5 Ų37.51%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-80.298.3174.4-178.20000108.3V4 E5 L6 S7 A10 L30 L31 V40 V78 V111V4-V42 HydrophobicContact CG1-CG2 4.31Å; E5-V42 PolarHBondContact O-N 3.46Å; L6-V42 HydrophobicContact CD1-CB 3.71Å; L6-V42 HydrophobicContact CD1-CG1 3.59Å; L6-V42 HydrophobicContact CD1-CG2 4.47Å; S7-V42 VanDerWaalsContact CB-O 3.28Å; S7-V42 WeakPolarHBondContact CB-O 3.49Å; S7-V42 PolarHBondContact N-O 3.14Å; S7-V42 PolarHBondContact OG-O 3.08Å; A10-V42 HydrophobicContact CB-CG1 3.8Å; L30-V42 HydrophobicContact CB-CG1 3.92Å; L30-V42 HydrophobicContact CB-CG2 4.42Å; L30-V42 HydrophobicContact CD2-CG1 4.03Å; L30-V42 HydrophobicContact CG-CG1 4.45Å; L31-V42 CarbonylContact O-C 3.59Å; L31-V42 WeakPolarHBondContact O-CA 3.28Å; V40-V42 HydrophobicContact CG1-CG2 4.13Å; V42-V78 HydrophobicContact CG2-CG2 4.22Å; V42-V111 HydrophobicContact CG2-CG2 4.42Å
43T95.9Very high86.1Confident45 Ų4538.1 Ų38.128%0.27627%0.268SS..  trans-87.2-22.9-175.756.60000112.8S7 L31 S32 S33 C41S7-T43 VanDerWaalsContact OG-C 3.24Å; S7-T43 PolarHBondContact OG-O 3.46Å; L31-T43 PolarHBondContact O-N 3.39Å; L31-T43 PolarHBondContact O-OG1 3.31Å; S32-T43 WeakPolarHBondContact CA-OG1 3.46Å; S33-T43 PolarHBondContact N-OG1 2.96Å; S33-T43 PolarHBondContact OG-OG1 2.94Å; C41-T43 PolarHBondContact O-N 3.41Å
44D97.7Very high85.4Confident8 Ų839.9 Ų39.94%0.04328%0.278CS..EExtended strand (participates in β ladder)trans-156.2172.5178.3-158.812.1000112.1L9 K13 L31L9-D44 HydrophobicContact CD2-CB 4.34Å; L9-D44 WeakPolarHBondContact CD2-OD1 3.25Å; L9-D44 WeakPolarHBondContact CG-OD1 3.48Å; K13-D44 WeakPolarHBondContact CE-OD1 3.49Å; K13-D44 IonicContact NZ-OD1 2.75Å; K13-D44 PolarHBondContact NZ-OD1 3.49Å; K13-D44 IonicContact NZ-OD2 3.9Å; K13-D44 PolarHBondContact NZ-OD2 2.87Å; L31-D44 HydrophobicContact CB-CB 4.26Å; L31-D44 PolarHBondContact N-O 3Å; L31-D44 PolarHBondContact O-N 3.44Å
45C98.3Very high85.3Confident0 Ų041.9 Ų41.90%029%0.285CS..EExtended strand (participates in β ladder)trans-141157.1167.478.70000112.8A10 K13 M14 L29 L30 Y81A10-C45 HydrophobicContact CB-CB 4.46Å; A10-C45 PolarHBondContact O-SG 3.06Å; K13-C45 WeakPolarHBondContact CB-SG 3.45Å; K13-C45 WeakPolarHBondContact CE-O 3.43Å; K13-C45 PolarHBondContact NZ-O 3.09Å; M14-C45 HydrophobicContact CG-CB 4.33Å; L29-C45 CarbonylContact O-C 3.48Å; L29-C45 WeakPolarHBondContact O-CA 3.47Å; L29-C45 VanDerWaalsContact O-CB 3.29Å; L29-C45 WeakPolarHBondContact O-CB 3.35Å; L30-C45 HydrophobicContact CD2-CB 4.02Å; C45-Y81 HydrophobicContact CB-CE1 4.11Å
46V98.5Very high85.7Confident1 Ų138.9 Ų38.91%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-112.6109.3170.8174.70000108.9G28 L29 L31 L48 V66 W185G28-V46 CarbonylContact C-O 3.43Å; G28-V46 WeakPolarHBondContact CA-O 3.19Å; L29-V46 PolarHBondContact N-O 3.35Å; L29-V46 PolarHBondContact O-N 2.94Å; L31-V46 HydrophobicContact CD1-CG2 3.78Å; L31-V46 HydrophobicContact CG-CG2 4.45Å; V46-L48 PolarHBondContact O-N 2.89Å; V46-V66 HydrophobicContact CB-CG2 4.3Å; V46-V66 HydrophobicContact CG1-CG2 3.79Å; V46-V66 HydrophobicContact CG2-CG1 4.17Å; V46-V66 HydrophobicContact CG2-CG2 4.38Å; V46-W185 HydrophobicContact CG1-CE3 3.61Å; V46-W185 HydrophobicContact CG1-CZ3 3.95Å; V46-W185 HydrophobicContact CG2-CE3 4.18Å; V46-W185 HydrophobicContact CG2-CZ3 3.86Å
47P98.3Very high86.4Confident0 Ų039.6 Ų39.60%027%0.268CS..EExtended strand (participates in β ladder)trans-57.9122.1165.7-22.435.1000110.1H17 Y81 L171 D173 F174H17-P47 HydrophobicContact CB-CB 4.26Å; H17-P47 HydrophobicContact CB-CG 4.43Å; P47-Y81 VanDerWaalsContact CA-OH 3.27Å; P47-Y81 WeakPolarHBondContact CA-OH 3.39Å; P47-L171 HydrophobicContact CB-CD2 4.16Å; P47-L171 HydrophobicContact CG-CD1 4.1Å; P47-L171 HydrophobicContact CG-CD2 4.12Å; P47-L171 HydrophobicContact CG-CG 4.26Å; P47-D173 HydrophobicContact CB-CB 3.65Å; P47-D173 WeakPolarHBondContact O-CA 3.21Å; P47-F174 PolarHBondContact O-N 3.37Å
48L96.8Very high87.6Confident1 Ų138 Ų381%0.00524%0.24CC..  trans-102.8-72.5-172.2-162.379.6000110.5N27 L29 V46 V66 F174 D175N27-L48 PolarHBondContact O-N 3.25Å; L29-L48 HydrophobicContact CD1-CD1 4.34Å; V46-L48 PolarHBondContact O-N 2.89Å; L48-V66 HydrophobicContact CD1-CG2 4.47Å; L48-F174 HydrophobicContact CD1-CB 3.91Å; L48-F174 HydrophobicContact CD1-CD1 4.47Å; L48-F174 HydrophobicContact CD1-CG 4.18Å; L48-F174 HydrophobicContact CG-CB 4.32Å; L48-F174 CarbonylContact O-C 3.59Å; L48-F174 WeakPolarHBondContact O-CA 3.35Å; L48-F174 WeakPolarHBondContact O-CB 3.27Å; L48-F174 PolarHBondContact O-N 3Å; L48-D175 PolarHBondContact O-N 3.25Å
49L96.1Very high88.5Confident1 Ų136.3 Ų36.31%0.00522%0.222CC..  trans-127.7141.6-172.8-49.6174.6000111.6V26 N27 L53 I58 T59 D175V26-L49 CarbonylContact C-O 2.95Å; V26-L49 VanDerWaalsContact CA-O 3.28Å; V26-L49 WeakPolarHBondContact CA-O 3.29Å; N27-L49 PolarHBondContact N-O 3.41Å; N27-L49 WeakPolarHBondContact OD1-CA 3.36Å; N27-L49 WeakPolarHBondContact OD1-CB 3.43Å; N27-L49 PolarHBondContact OD1-N 2.85Å; N27-L49 PolarHBondContact OD1-O 3.41Å; L49-L53 HydrophobicContact CB-CD1 4.08Å; L49-L53 HydrophobicContact CB-CG 4.32Å; L49-I58 HydrophobicContact CD1-CG2 4.46Å; L49-I58 HydrophobicContact CD2-CG2 3.57Å; L49-T59 WeakPolarHBondContact CD1-OG1 3.32Å; L49-D175 HydrophobicContact CD2-CB 4.19Å
50H94.4Very high89.2Confident32 Ų3239.5 Ų39.515%0.14823%0.227CC..SBendtrans-118.6-10166.870.8-87.4000112.7F21 C24 V26 D173 D175F21-H50 HydrophobicContact CB-CB 4.02Å; F21-H50 HydrophobicContact CD1-CB 3.9Å; F21-H50 AromaticContact CD1-CD2 3.37Å; F21-H50 WeakPolarHBondContact CD1-CD2 3.17Å; F21-H50 AromaticContact CD1-CG 3.63Å; F21-H50 HydrophobicContact CD2-CB 3.27Å; F21-H50 AromaticContact CD2-CG 3.68Å; F21-H50 HydrophobicContact CE1-CB 4.13Å; F21-H50 AromaticContact CE1-CD2 3.22Å; F21-H50 WeakPolarHBondContact CE1-CD2 3.4Å; F21-H50 AromaticContact CE1-CE1 3.74Å; F21-H50 AromaticContact CE1-CG 3.45Å; F21-H50 VanDerWaalsContact CE1-CG 3.45Å; F21-H50 AromaticContact CE1-ND1 3.75Å; F21-H50 AromaticContact CE1-NE2 3.42Å; F21-H50 WeakPolarHBondContact CE1-NE2 3.38Å; F21-H50 HydrophobicContact CE2-CB 3.52Å; F21-H50 AromaticContact CE2-CG 3.48Å; F21-H50 VanDerWaalsContact CE2-CG 3.48Å; F21-H50 AromaticContact CE2-ND1 3.6Å; F21-H50 HydrophobicContact CG-CB 3.46Å; F21-H50 VanDerWaalsContact CG-CB 3.46Å; F21-H50 AromaticContact CG-CD2 3.91Å; F21-H50 AromaticContact CG-CG 3.74Å; F21-H50 HydrophobicContact CZ-CB 3.95Å; F21-H50 AromaticContact CZ-CD2 3.64Å; F21-H50 AromaticContact CZ-CE1 3.57Å; F21-H50 AromaticContact CZ-CG 3.36Å; F21-H50 AromaticContact CZ-ND1 3.31Å; F21-H50 VanDerWaalsContact CZ-ND1 3.31Å; F21-H50 WeakPolarHBondContact CZ-ND1 3.4Å; F21-H50 AromaticContact CZ-NE2 3.76Å; C24-H50 VanDerWaalsContact CB-O 3.26Å; C24-H50 WeakPolarHBondContact CB-O 3.15Å; V26-H50 HydrophobicContact CG1-CB 3.89Å; H50-D173 IonicContact CE1-OD1 3.93Å; H50-D173 IonicContact CE1-OD2 3.18Å; H50-D173 IonicContact CG-OD2 3.91Å; H50-D173 PolarHBondContact N-OD2 3.49Å; H50-D173 VanDerWaalsContact ND1-CG 3.34Å; H50-D173 IonicContact ND1-OD1 3Å; H50-D173 PolarHBondContact ND1-OD1 2.87Å; H50-D173 IonicContact ND1-OD2 2.62Å; H50-D173 PolarHBondContact ND1-OD2 2.85Å; H50-D175 IonicContact CE1-OD2 2.77Å; H50-D175 IonicContact CG-OD2 3.75Å; H50-D175 IonicContact ND1-OD2 3.21Å; H50-D175 IonicContact NE2-OD2 2.55Å
51S82.8Confident89.6Confident36 Ų3643.1 Ų43.125%0.25225%0.245SC..SBendtrans-121.7157.2170.9850000110.5L53 D175S51-L53 PolarHBondContact O-N 3Å; S51-D175 WeakPolarHBondContact CB-OD2 3.36Å; S51-D175 PolarHBondContact N-OD2 3Å; S51-D175 PolarHBondContact OG-OD2 3.5Å
52H75.4Confident89.7Confident125 Ų12541.5 Ų41.558%0.57923%0.234SC*.  trans51.430.2165.2-61.1-66.6000117.6P54 L55H52-P54 VanDerWaalsContact O-CD 3.32Å; H52-P54 WeakPolarHBondContact O-CD 3.26Å; H52-L55 HydrophobicContact CB-CB 4.49Å; H52-L55 HydrophobicContact CB-CD1 3.64Å; H52-L55 HydrophobicContact CB-CG 3.89Å; H52-L55 WeakPolarHBondContact O-CB 3.48Å; H52-L55 PolarHBondContact O-N 2.89Å
53L77Confident89.5Confident17 Ų1743.1 Ų43.19%0.08924%0.243CC..THydrogen-bonded Turntrans-43.5-35.6-179.4-79.266000115.9S25 N27 L49 S51 L55S25-L53 VanDerWaalsContact O-CD1 3.23Å; S25-L53 WeakPolarHBondContact O-CD1 3.01Å; N27-L53 HydrophobicContact CB-CD2 4.05Å; L49-L53 HydrophobicContact CB-CD1 4.08Å; L49-L53 HydrophobicContact CB-CG 4.32Å; S51-L53 PolarHBondContact O-N 3Å; L53-L55 VanDerWaalsContact C-N 3.28Å; L53-L55 PolarHBondContact O-N 3.32Å
54P75.8Confident89.5Confident103 Ų10345.2 Ų45.267%0.66926%0.256SS*.THydrogen-bonded Turntrans-73.5-11.1178.7-17.932.7000115.1H52 A56H52-P54 VanDerWaalsContact O-CD 3.32Å; H52-P54 WeakPolarHBondContact O-CD 3.26Å; P54-A56 PolarHBondContact O-N 3.47Å; P54-A56 VanDerWaalsContact O-N 3.14Å
55L79.1Confident89.4Confident84 Ų8448.9 Ų48.944%0.4427%0.272SS..  trans-76.7103.5-176.1-63.5-171.2000110.9H52 L53 I58 T59H52-L55 HydrophobicContact CB-CB 4.49Å; H52-L55 HydrophobicContact CB-CD1 3.64Å; H52-L55 HydrophobicContact CB-CG 3.89Å; H52-L55 WeakPolarHBondContact O-CB 3.48Å; H52-L55 PolarHBondContact O-N 2.89Å; L53-L55 VanDerWaalsContact C-N 3.28Å; L53-L55 PolarHBondContact O-N 3.32Å; L55-I58 HydrophobicContact CD1-CD1 4.44Å; L55-I58 PolarHBondContact O-N 3.23Å; L55-T59 PolarHBondContact O-N 3.48Å; L55-T59 PolarHBondContact O-OG1 2.82Å
56A82.1Confident89.4Confident55 Ų5548.9 Ų48.946%0.45527%0.272SS..Hα-helixtrans-52.3-40.5-178.100000115.3P54 I58 T59 Q60P54-A56 PolarHBondContact O-N 3.47Å; P54-A56 VanDerWaalsContact O-N 3.14Å; A56-I58 PolarHBondContact O-N 3.17Å; A56-T59 PolarHBondContact O-N 2.98Å; A56-Q60 WeakPolarHBondContact O-CB 3.41Å; A56-Q60 VanDerWaalsContact O-CG 3.25Å; A56-Q60 WeakPolarHBondContact O-CG 3.26Å; A56-Q60 PolarHBondContact O-N 2.99Å
57P87.4Confident89.2Confident92 Ų9252.4 Ų52.460%0.59729%0.291SS*.Hα-helixtrans-62.6-43.9-175.8-24.935.4000113.8Q60 L61P57-Q60 PolarHBondContact O-N 3.16Å; P57-L61 WeakPolarHBondContact O-CB 2.92Å; P57-L61 PolarHBondContact O-N 3.24Å
58I88Confident89.2Confident46 Ų4655.6 Ų55.624%0.23631%0.31CS..Hα-helixtrans-69.6-44.1-178.1-57.6177.5000109.7L49 L55 A56 Q60 L61 G62 L178L49-I58 HydrophobicContact CD1-CG2 4.46Å; L49-I58 HydrophobicContact CD2-CG2 3.57Å; L55-I58 HydrophobicContact CD1-CD1 4.44Å; L55-I58 PolarHBondContact O-N 3.23Å; A56-I58 PolarHBondContact O-N 3.17Å; I58-Q60 VanDerWaalsContact C-N 3.32Å; I58-Q60 PolarHBondContact O-N 2.79Å; I58-L61 PolarHBondContact O-N 2.95Å; I58-G62 PolarHBondContact O-N 2.85Å; I58-L178 HydrophobicContact CG2-CD1 3.73Å
59T88.2Confident89.2Confident8 Ų857.4 Ų57.45%0.04932%0.317CS..Hα-helixtrans-58.9-42.8175.3-60.20000112.1L49 L55 A56 G62 L63 I99L49-T59 WeakPolarHBondContact CD1-OG1 3.32Å; L55-T59 PolarHBondContact O-N 3.48Å; L55-T59 PolarHBondContact O-OG1 2.82Å; A56-T59 PolarHBondContact O-N 2.98Å; T59-G62 PolarHBondContact O-N 2.61Å; T59-L63 HydrophobicContact CG2-CD1 3.97Å; T59-L63 WeakPolarHBondContact O-CB 3.36Å; T59-L63 VanDerWaalsContact O-CG 3.28Å; T59-L63 WeakPolarHBondContact O-CG 3.39Å; T59-L63 PolarHBondContact O-N 3.13Å; T59-I99 HydrophobicContact CG2-CD1 3.71Å; T59-I99 HydrophobicContact CG2-CG1 4.24Å
60Q90.3Very high89.2Confident125 Ų12557.4 Ų57.458%0.58432%0.317SS*.Hα-helixtrans-64.6-44.7177.2-76.8175.5-11.200111.9A56 P57 I58 G62 L63 T64A56-Q60 WeakPolarHBondContact O-CB 3.41Å; A56-Q60 VanDerWaalsContact O-CG 3.25Å; A56-Q60 WeakPolarHBondContact O-CG 3.26Å; A56-Q60 PolarHBondContact O-N 2.99Å; P57-Q60 PolarHBondContact O-N 3.16Å; I58-Q60 VanDerWaalsContact C-N 3.32Å; I58-Q60 PolarHBondContact O-N 2.79Å; Q60-G62 PolarHBondContact O-N 3.14Å; Q60-L63 PolarHBondContact O-N 2.89Å; Q60-T64 PolarHBondContact O-N 3.42Å; Q60-T64 PolarHBondContact O-OG1 3.49Å
61L92.9Very high89.2Confident90 Ų9059.8 Ų59.847%0.47134%0.342SS..Hα-helixtrans-58.4-49.2176.5177.862.2000111.2P57 I58 T64 Q65 F174 L178P57-L61 WeakPolarHBondContact O-CB 2.92Å; P57-L61 PolarHBondContact O-N 3.24Å; I58-L61 PolarHBondContact O-N 2.95Å; L61-T64 PolarHBondContact O-N 3.45Å; L61-Q65 WeakPolarHBondContact O-CB 3.45Å; L61-Q65 PolarHBondContact O-N 2.69Å; L61-F174 HydrophobicContact CD2-CE1 4.44Å; L61-F174 HydrophobicContact CG-CE1 4.22Å; L61-F174 HydrophobicContact CG-CZ 4.33Å; L61-L178 HydrophobicContact CD2-CD2 4.07Å
62G92.6Very high89.8Confident0 Ų065 Ų650%036%0.363CS..Hα-helixtrans-61.9-44.4178.500000112.8I58 T59 Q60 T64 Q65 V66 F174I58-G62 PolarHBondContact O-N 2.85Å; T59-G62 PolarHBondContact O-N 2.61Å; Q60-G62 PolarHBondContact O-N 3.14Å; G62-T64 PolarHBondContact O-N 3.06Å; G62-Q65 PolarHBondContact O-N 3.3Å; G62-V66 WeakPolarHBondContact O-CB 3.31Å; G62-V66 VanDerWaalsContact O-CG2 3.27Å; G62-V66 WeakPolarHBondContact O-CG2 3.35Å; G62-V66 PolarHBondContact O-N 2.94Å; G62-F174 VanDerWaalsContact CA-CE1 3.44Å
63L92.6Very high90.7Very high37 Ų3761.8 Ų61.819%0.19435%0.352CS..Hα-helixtrans-57.9-47.1174.6-78.3166.1000111.9L29 T59 Q60 D67L29-L63 HydrophobicContact CD1-CD2 3.83Å; L29-L63 HydrophobicContact CD2-CD2 3.56Å; L29-L63 HydrophobicContact CG-CD2 4.32Å; T59-L63 HydrophobicContact CG2-CD1 3.97Å; T59-L63 WeakPolarHBondContact O-CB 3.36Å; T59-L63 VanDerWaalsContact O-CG 3.28Å; T59-L63 WeakPolarHBondContact O-CG 3.39Å; T59-L63 PolarHBondContact O-N 3.13Å; Q60-L63 PolarHBondContact O-N 2.89Å; L63-D67 VanDerWaalsContact O-CB 3.29Å; L63-D67 WeakPolarHBondContact O-CB 3.42Å; L63-D67 PolarHBondContact O-N 3.21Å
64T95Very high91.5Very high89 Ų8969.3 Ų69.355%0.54639%0.387SS..Hα-helixtrans-64.4-43.3179-63.40000112Q60 L61 G62 D67 V68Q60-T64 PolarHBondContact O-N 3.42Å; Q60-T64 PolarHBondContact O-OG1 3.49Å; L61-T64 PolarHBondContact O-N 3.45Å; G62-T64 PolarHBondContact O-N 3.06Å; T64-D67 PolarHBondContact O-N 3.31Å; T64-V68 WeakPolarHBondContact O-CG2 3.4Å; T64-V68 PolarHBondContact O-N 3.31Å
65Q96.6Very high92.3Very high84 Ų8466.2 Ų66.239%0.39336%0.363SS..Hα-helixtrans-64-43.4179.7-173.263.533.200111.7L61 G62 W69 F174 W185L61-Q65 WeakPolarHBondContact O-CB 3.45Å; L61-Q65 PolarHBondContact O-N 2.69Å; G62-Q65 PolarHBondContact O-N 3.3Å; Q65-W69 WeakPolarHBondContact O-CB 3.49Å; Q65-W69 PolarHBondContact O-N 3.02Å; Q65-W69 VanDerWaalsContact O-N 3.08Å; Q65-F174 HydrophobicContact CB-CE2 3.98Å; Q65-F174 HydrophobicContact CB-CZ 4Å; Q65-F174 HydrophobicContact CG-CE2 3.86Å; Q65-F174 HydrophobicContact CG-CZ 4.23Å; Q65-W185 HydrophobicContact CG-CZ2 3.84Å
66V97.1Very high93.1Very high0 Ų065.4 Ų65.40%035%0.354CS..Hα-helixtrans-67.5-38.9177.9175.90000111.2L29 L31 V46 L48 G62 W69 C70 I77 W185L29-V66 HydrophobicContact CD1-CB 3.8Å; L29-V66 HydrophobicContact CD1-CG1 3.77Å; L29-V66 HydrophobicContact CD1-CG2 3.99Å; L31-V66 HydrophobicContact CD2-CG1 4.19Å; V46-V66 HydrophobicContact CB-CG2 4.3Å; V46-V66 HydrophobicContact CG1-CG2 3.79Å; V46-V66 HydrophobicContact CG2-CG1 4.17Å; V46-V66 HydrophobicContact CG2-CG2 4.38Å; L48-V66 HydrophobicContact CD1-CG2 4.47Å; G62-V66 WeakPolarHBondContact O-CB 3.31Å; G62-V66 VanDerWaalsContact O-CG2 3.27Å; G62-V66 WeakPolarHBondContact O-CG2 3.35Å; G62-V66 PolarHBondContact O-N 2.94Å; V66-W69 PolarHBondContact O-N 3.2Å; V66-C70 WeakPolarHBondContact O-CB 2.94Å; V66-C70 PolarHBondContact O-N 3.37Å; V66-C70 PolarHBondContact O-SG 3.29Å; V66-I77 HydrophobicContact CG1-CD1 4.18Å; V66-I77 HydrophobicContact CG1-CG1 4.23Å; V66-W185 HydrophobicContact CG2-CE3 4.34Å; V66-W185 HydrophobicContact CG2-CH2 4.05Å; V66-W185 HydrophobicContact CG2-CZ3 3.74Å
67D95.3Very high93.7Very high76 Ų7663.6 Ų63.641%0.40634%0.337SS..Hα-helixtrans-62.2-46.1177.1-170.555.6000111.9L63 T64 W69 C70 A71 I77L63-D67 VanDerWaalsContact O-CB 3.29Å; L63-D67 WeakPolarHBondContact O-CB 3.42Å; L63-D67 PolarHBondContact O-N 3.21Å; T64-D67 PolarHBondContact O-N 3.31Å; D67-W69 VanDerWaalsContact C-N 3.35Å; D67-W69 PolarHBondContact O-N 2.81Å; D67-C70 WeakPolarHBondContact O-CB 3.39Å; D67-C70 PolarHBondContact O-N 3.49Å; D67-A71 PolarHBondContact O-N 2.65Å; D67-I77 HydrophobicContact CB-CD1 4.31Å
68V96.9Very high94.1Very high66 Ų6659.4 Ų59.440%0.431%0.31SS..Hα-helixtrans-60.3-45175.4171.10000111.3T64 A71 Q72T64-V68 WeakPolarHBondContact O-CG2 3.4Å; T64-V68 PolarHBondContact O-N 3.31Å; V68-A71 PolarHBondContact O-N 3.02Å; V68-Q72 WeakPolarHBondContact O-CG 2.77Å; V68-Q72 PolarHBondContact O-N 2.84Å
69W97.1Very high94.5Very high39 Ų3957.2 Ų57.215%0.14830%0.299CS..Hα-helixtrans-65-43178.1177.777.9000112L31 Q65 V66 D67 A71 Q72 T73 W185 T186L31-W69 HydrophobicContact CD1-CE3 4.5Å; L31-W69 HydrophobicContact CD1-CH2 4.42Å; L31-W69 HydrophobicContact CD1-CZ3 3.61Å; Q65-W69 WeakPolarHBondContact O-CB 3.49Å; Q65-W69 PolarHBondContact O-N 3.02Å; Q65-W69 VanDerWaalsContact O-N 3.08Å; V66-W69 PolarHBondContact O-N 3.2Å; D67-W69 VanDerWaalsContact C-N 3.35Å; D67-W69 PolarHBondContact O-N 2.81Å; W69-A71 VanDerWaalsContact C-N 3.28Å; W69-A71 PolarHBondContact O-N 2.88Å; W69-Q72 WeakPolarHBondContact O-CA 3.36Å; W69-Q72 WeakPolarHBondContact O-CB 3.19Å; W69-Q72 PolarHBondContact O-N 3.31Å; W69-T73 HydrophobicContact CD2-CG2 4.17Å; W69-T73 HydrophobicContact CG-CG2 4.46Å; W69-T73 HydrophobicContact CZ2-CG2 3.9Å; W69-T73 PolarHBondContact O-N 3.06Å; W69-T73 PolarHBondContact O-OG1 3.39Å; W69-T73 VanDerWaalsContact O-OG1 3.08Å; W69-W185 HydrophobicContact CB-CH2 3.69Å; W69-W185 HydrophobicContact CB-CZ2 4.27Å; W69-W185 AromaticContact CD2-CH2 3.9Å; W69-W185 HydrophobicContact CD2-CH2 3.9Å; W69-W185 HydrophobicContact CD2-CZ3 4.32Å; W69-W185 HydrophobicContact CE3-CH2 4.15Å; W69-W185 HydrophobicContact CE3-CZ3 4.23Å; W69-W185 AromaticContact CG-CH2 3.7Å; W69-W185 HydrophobicContact CG-CH2 3.7Å; W69-W185 HydrophobicContact CG-CZ2 4.36Å; W69-T186 HydrophobicContact CD2-CG2 4.24Å; W69-T186 HydrophobicContact CZ2-CG2 3.91Å
70C95.8Very high95Very high1 Ų157 Ų571%0.00730%0.297CS..Hα-helixtrans-56.7-42.8175.4-75.40000111.7V66 D67 Q72 T73 Q74 Q75V66-C70 WeakPolarHBondContact O-CB 2.94Å; V66-C70 PolarHBondContact O-N 3.37Å; V66-C70 PolarHBondContact O-SG 3.29Å; D67-C70 WeakPolarHBondContact O-CB 3.39Å; D67-C70 PolarHBondContact O-N 3.49Å; C70-Q72 VanDerWaalsContact C-N 3.26Å; C70-Q72 PolarHBondContact O-N 2.99Å; C70-T73 PolarHBondContact O-N 3.49Å; C70-Q74 PolarHBondContact O-N 3.06Å; C70-Q75 CarbonylContact C-O 3.58Å; C70-Q75 HydrophobicContact CB-CB 4.21Å; C70-Q75 WeakPolarHBondContact CB-O 3.32Å; C70-Q75 PolarHBondContact O-N 3.17Å
71A94.3Very high95.3Very high82 Ų8251 Ų5168%0.67827%0.269SS*.Hα-helixtrans-61.7-34176.100000112.7D67 V68 W69D67-A71 PolarHBondContact O-N 2.65Å; V68-A71 PolarHBondContact O-N 3.02Å; W69-A71 VanDerWaalsContact C-N 3.28Å; W69-A71 PolarHBondContact O-N 2.88Å
72Q96.3Very high95.6Very high146 Ų14646.8 Ų46.868%0.68225%0.247SC*.Hα-helixtrans-76.6-30.8177.6-66.8170.9-2.900113V68 W69 C70V68-Q72 WeakPolarHBondContact O-CG 2.77Å; V68-Q72 PolarHBondContact O-N 2.84Å; W69-Q72 WeakPolarHBondContact O-CA 3.36Å; W69-Q72 WeakPolarHBondContact O-CB 3.19Å; W69-Q72 PolarHBondContact O-N 3.31Å; C70-Q72 VanDerWaalsContact C-N 3.26Å; C70-Q72 PolarHBondContact O-N 2.99Å
73T94.9Very high95.7Very high57 Ų5747.2 Ų47.235%0.3525%0.25SS..Hα-helixtrans-101.18.2-176.359.70000114W69 C70 Q75W69-T73 HydrophobicContact CD2-CG2 4.17Å; W69-T73 HydrophobicContact CG-CG2 4.46Å; W69-T73 HydrophobicContact CZ2-CG2 3.9Å; W69-T73 PolarHBondContact O-N 3.06Å; W69-T73 PolarHBondContact O-OG1 3.39Å; W69-T73 VanDerWaalsContact O-OG1 3.08Å; C70-T73 PolarHBondContact O-N 3.49Å; T73-Q75 VanDerWaalsContact C-N 3.26Å; T73-Q75 PolarHBondContact O-N 2.86Å; T73-Q75 PolarHBondContact OG1-OE1 2.75Å
74Q93.1Very high95.8Very high175 Ų17546.2 Ų46.282%0.81825%0.246SC*.THydrogen-bonded Turntrans57.936.6-175.7-53-166.5-59.500113.5C70C70-Q74 PolarHBondContact O-N 3.06Å
75Q93.8Very high95.6Very high38 Ų3844.3 Ų44.318%0.17824%0.239CC..  trans-110.4172.2174.5-62.3-174.1-37.800110.6S32 S33 C70 T73S32-Q75 CarbonylContact O-C 3.58Å; S32-Q75 WeakPolarHBondContact O-CA 3.42Å; S33-Q75 PolarHBondContact OG-NE2 3.5Å; C70-Q75 CarbonylContact C-O 3.58Å; C70-Q75 HydrophobicContact CB-CB 4.21Å; C70-Q75 WeakPolarHBondContact CB-O 3.32Å; C70-Q75 PolarHBondContact O-N 3.17Å; T73-Q75 VanDerWaalsContact C-N 3.26Å; T73-Q75 PolarHBondContact O-N 2.86Å; T73-Q75 PolarHBondContact OG1-OE1 2.75Å
76R94.6Very high95.3Very high67 Ų6743.6 Ų43.625%0.25324%0.242SC..EExtended strand (participates in β ladder)trans-145.1148175.353.2174.6-62.2144.38.3111L31 S32 V78 Q106 C107L31-R76 WeakPolarHBondContact CA-O 3.08Å; S32-R76 PolarHBondContact N-O 3.15Å; S32-R76 VanDerWaalsContact O-CG 3.28Å; S32-R76 WeakPolarHBondContact O-CG 3.27Å; S32-R76 PolarHBondContact O-N 3.34Å; R76-V78 HydrophobicContact CG-CG1 3.88Å; R76-V78 PolarHBondContact O-N 3.45Å; R76-Q106 PolarHBondContact NH2-O 3.06Å; R76-C107 VanDerWaalsContact NH2-CB 3.31Å; R76-C107 PolarHBondContact NH2-SG 2.85Å
77I96.1Very high94.8Very high17 Ų1747.8 Ų47.89%0.08727%0.268CS..EExtended strand (participates in β ladder)trans-72.1125.5167.9-56.8167000108.1L29 L31 V66 D67 I103L29-I77 HydrophobicContact CB-CG2 4.45Å; L29-I77 HydrophobicContact CD1-CD1 4.11Å; L29-I77 HydrophobicContact CD2-CG2 4.26Å; L31-I77 HydrophobicContact CD2-CG1 3.95Å; V66-I77 HydrophobicContact CG1-CD1 4.18Å; V66-I77 HydrophobicContact CG1-CG1 4.23Å; D67-I77 HydrophobicContact CB-CD1 4.31Å; I77-I103 HydrophobicContact CG2-CD1 3.9Å; I77-I103 HydrophobicContact CG2-CG1 4.02Å; I77-I103 HydrophobicContact CG2-CG2 3.98Å
78V95.7Very high94.4Very high4 Ų449 Ų492%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-122.8-0.8179.9-63.90000113.1L30 S32 V40 V42 R76 A110 V111L30-V78 HydrophobicContact CB-CG2 4.3Å; L30-V78 WeakPolarHBondContact O-CG2 3.44Å; L30-V78 PolarHBondContact O-N 2.9Å; S32-V78 VanDerWaalsContact CB-CG1 3.45Å; V40-V78 HydrophobicContact CG1-CB 4.06Å; V40-V78 HydrophobicContact CG1-CG2 4Å; V42-V78 HydrophobicContact CG2-CG2 4.22Å; R76-V78 HydrophobicContact CG-CG1 3.88Å; R76-V78 PolarHBondContact O-N 3.45Å; V78-A110 VanDerWaalsContact O-CA 3.26Å; V78-A110 WeakPolarHBondContact O-CA 3.39Å; V78-V111 PolarHBondContact O-N 2.98Å
79G96.2Very high94.1Very high1 Ų148.9 Ų48.91%0.0128%0.279CS..EExtended strand (participates in β ladder)trans176.3-174.2178.600000113.7L30 V111L30-G79 PolarHBondContact N-O 3.26Å; L30-G79 PolarHBondContact O-N 3.4Å; G79-V111 CarbonylContact C-O 3.59Å; G79-V111 WeakPolarHBondContact CA-O 3.34Å
80Y97.7Very high93.7Very high2 Ų248.7 Ų48.71%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-137.2145-178.4175.5-92.7000109N27 G28 L29 Q82 A96 I99 V111 L112 L113N27-Y80 HydrophobicContact CB-CE1 4.36Å; N27-Y80 HydrophobicContact CB-CE2 3.79Å; N27-Y80 WeakPolarHBondContact CB-OH 3.41Å; N27-Y80 PolarHBondContact ND2-OH 3.24Å; G28-Y80 CarbonylContact O-C 3.56Å; G28-Y80 WeakPolarHBondContact O-CA 3.27Å; G28-Y80 WeakPolarHBondContact O-CD2 3.37Å; L29-Y80 HydrophobicContact CD2-CD2 4.23Å; Y80-Q82 HydrophobicContact CE1-CB 3.75Å; Y80-Q82 PolarHBondContact OH-OE1 3.29Å; Y80-Q82 VanDerWaalsContact OH-OE1 3.09Å; Y80-A96 HydrophobicContact CD1-CB 4.26Å; Y80-A96 HydrophobicContact CE1-CB 3.58Å; Y80-I99 HydrophobicContact CD2-CB 4.39Å; Y80-I99 HydrophobicContact CD2-CG2 3.68Å; Y80-I99 HydrophobicContact CE2-CB 4.46Å; Y80-I99 HydrophobicContact CE2-CD1 3.79Å; Y80-I99 HydrophobicContact CE2-CG2 4.05Å; Y80-I99 HydrophobicContact CG-CG2 4.24Å; Y80-V111 PolarHBondContact N-O 3.37Å; Y80-L112 HydrophobicContact CD1-CD1 3.58Å; Y80-L112 HydrophobicContact CE1-CD1 4.32Å; Y80-L112 CarbonylContact O-C 3.53Å; Y80-L112 WeakPolarHBondContact O-CA 3.13Å; Y80-L113 PolarHBondContact O-N 3.25Å
81Y97.9Very high93.5Very high0 Ų051.3 Ų51.30%030%0.299CS..EExtended strand (participates in β ladder)trans-121.8154.3169.976.9-93.3000112.2M14 H17 N27 G28 L30 C45 P47 L113 I115M14-Y81 HydrophobicContact CB-CE2 4.39Å; M14-Y81 HydrophobicContact CE-CD1 4.49Å; M14-Y81 HydrophobicContact CE-CD2 4.21Å; M14-Y81 HydrophobicContact CE-CG 3.9Å; M14-Y81 HydrophobicContact CG-CD1 3.77Å; M14-Y81 HydrophobicContact CG-CD2 4.11Å; M14-Y81 HydrophobicContact CG-CE1 3.75Å; M14-Y81 HydrophobicContact CG-CE2 4.1Å; M14-Y81 HydrophobicContact CG-CG 3.92Å; M14-Y81 HydrophobicContact SD-CD1 4.21Å; M14-Y81 HydrophobicContact SD-CG 4.21Å; H17-Y81 AromaticContact ND1-CE2 3.94Å; H17-Y81 AromaticContact ND1-CZ 3.85Å; H17-Y81 PolarHBondContact ND1-OH 2.66Å; N27-Y81 CarbonylContact C-O 3.54Å; N27-Y81 WeakPolarHBondContact CA-O 3.35Å; N27-Y81 WeakPolarHBondContact CB-O 3.18Å; G28-Y81 VanDerWaalsContact C-CD1 3.44Å; G28-Y81 PolarHBondContact N-O 2.94Å; G28-Y81 WeakPolarHBondContact O-CD1 3.38Å; G28-Y81 PolarHBondContact O-N 3.13Å; L30-Y81 HydrophobicContact CD2-CD1 3.8Å; L30-Y81 HydrophobicContact CD2-CG 4.45Å; L30-Y81 HydrophobicContact CG-CD1 4.41Å; C45-Y81 HydrophobicContact CB-CE1 4.11Å; P47-Y81 VanDerWaalsContact CA-OH 3.27Å; P47-Y81 WeakPolarHBondContact CA-OH 3.39Å; Y81-L113 CarbonylContact C-O 3.48Å; Y81-L113 WeakPolarHBondContact CA-O 3.33Å; Y81-L113 WeakPolarHBondContact CB-O 3.22Å; Y81-I115 HydrophobicContact CD2-CD1 3.89Å; Y81-I115 HydrophobicContact CE2-CD1 4.22Å
82Q97.3Very high93.6Very high1 Ų148.3 Ų48.31%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-148141.5174.1178.8170.5-53.700111.8V26 N27 Y80 N84 T93 L113 M114 I115V26-Q82 CarbonylContact O-C 3.52Å; V26-Q82 VanDerWaalsContact O-CA 3.29Å; V26-Q82 WeakPolarHBondContact O-CA 3.28Å; N27-Q82 HydrophobicContact CB-CB 4.48Å; Y80-Q82 HydrophobicContact CE1-CB 3.75Å; Y80-Q82 PolarHBondContact OH-OE1 3.29Å; Y80-Q82 VanDerWaalsContact OH-OE1 3.09Å; Q82-N84 PolarHBondContact NE2-OD1 2.96Å; Q82-T93 PolarHBondContact NE2-OG1 2.9Å; Q82-T93 PolarHBondContact OE1-OG1 3.49Å; Q82-L113 PolarHBondContact N-O 3.37Å; Q82-M114 HydrophobicContact CB-CE 4Å; Q82-M114 HydrophobicContact CB-SD 3.87Å; Q82-M114 HydrophobicContact CG-CE 4Å; Q82-M114 HydrophobicContact CG-SD 4.46Å; Q82-M114 CarbonylContact O-C 3.33Å; Q82-M114 VanDerWaalsContact O-CA 3.27Å; Q82-M114 WeakPolarHBondContact O-CA 3.35Å; Q82-I115 PolarHBondContact O-N 2.88Å
83A95.9Very high93.5Very high9 Ų943.6 Ų43.67%0.07425%0.254CS..EExtended strand (participates in β ladder)trans-113.9135.2160.100000108.2S25 V26 I115S25-A83 CarbonylContact C-O 3.59Å; S25-A83 WeakPolarHBondContact CA-O 3.36Å; S25-A83 WeakPolarHBondContact CB-O 3.28Å; V26-A83 HydrophobicContact CG2-CB 3.61Å; V26-A83 PolarHBondContact N-O 3.46Å; V26-A83 PolarHBondContact O-N 3.1Å; A83-I115 HydrophobicContact CB-CB 3.81Å; A83-I115 HydrophobicContact CB-CD1 4.31Å; A83-I115 HydrophobicContact CB-CG1 4.44Å; A83-I115 HydrophobicContact CB-CG2 4.46Å
84N94.7Very high93.4Very high17 Ų1745.7 Ų45.79%0.09127%0.269CS..  trans-86.8151.1175.4-68-26.9000110.4Q82 C86 D89 S91Q82-N84 PolarHBondContact NE2-OD1 2.96Å; N84-C86 PolarHBondContact O-N 3.45Å; N84-D89 VanDerWaalsContact CB-O 3.3Å; N84-D89 WeakPolarHBondContact CB-O 3.32Å; N84-D89 PolarHBondContact ND2-O 2.96Å; N84-S91 PolarHBondContact ND2-O 3.14Å
85A91.1Very high93.4Very high49 Ų4939.2 Ų39.241%0.40524%0.242SC..SBendtrans-62.8-29175.500000112.8S25S25-A85 PolarHBondContact OG-N 3.02Å
86C89.9Confident93.4Very high68 Ų6837.4 Ų37.446%0.45923%0.234SC..SBendtrans-88.1112.9175.2-171.60000109.9N84 S88 D89N84-C86 PolarHBondContact O-N 3.45Å; C86-S88 PolarHBondContact O-N 3.07Å; C86-S88 VanDerWaalsContact O-N 3.08Å; C86-S88 PolarHBondContact SG-OG 3.4Å; C86-D89 HydrophobicContact CB-CB 4.11Å; C86-D89 PolarHBondContact O-N 3.15Å
87V86.4Confident93.5Very high89 Ų8936.9 Ų36.954%0.53924%0.236SC..THydrogen-bonded Turntrans-61.4-18.3-176.5-62.90000114.9G118V87-G118 PolarHBondContact O-N 3.31Å
88S86.9Confident93.3Very high100 Ų10043.8 Ų43.870%0.69927%0.265SS*.THydrogen-bonded Turntrans-93-10.4177.158.60000113.6C86C86-S88 PolarHBondContact O-N 3.07Å; C86-S88 VanDerWaalsContact O-N 3.08Å; C86-S88 PolarHBondContact SG-OG 3.4Å
89D90.3Very high93.3Very high64 Ų6444.2 Ų44.234%0.34227%0.267SS..  trans-103.3103.2179.4-178.58.6000110.6N84 C86 S91N84-D89 VanDerWaalsContact CB-O 3.3Å; N84-D89 WeakPolarHBondContact CB-O 3.32Å; N84-D89 PolarHBondContact ND2-O 2.96Å; C86-D89 HydrophobicContact CB-CB 4.11Å; C86-D89 PolarHBondContact O-N 3.15Å; D89-S91 WeakPolarHBondContact OD1-CB 3.49Å; D89-S91 PolarHBondContact OD1-N 3.28Å; D89-S91 PolarHBondContact OD1-OG 2.84Å
90N88.1Confident93.2Very high35 Ų3544.2 Ų44.219%0.18727%0.267CS..  trans-105.216.5177.9-59.6-37.5000112.3M114 D116N90-M114 WeakPolarHBondContact O-CB 3.48Å; N90-M114 WeakPolarHBondContact O-CG 3.44Å; N90-D116 PolarHBondContact ND2-OD1 2.79Å; N90-D116 PolarHBondContact ND2-OD2 3.02Å; N90-D116 WeakPolarHBondContact OD1-CA 3.31Å
91S93.1Very high93.1Very high56 Ų5646.6 Ų46.639%0.39228%0.28SS..SBendtrans-84.9140.818071.10000111.3N84 D89 T93 M114N84-S91 PolarHBondContact ND2-O 3.14Å; D89-S91 WeakPolarHBondContact OD1-CB 3.49Å; D89-S91 PolarHBondContact OD1-N 3.28Å; D89-S91 PolarHBondContact OD1-OG 2.84Å; S91-T93 PolarHBondContact O-N 2.85Å; S91-M114 WeakPolarHBondContact O-CE 3.28Å
92P94.9Very high92.9Very high19 Ų1952 Ų5212%0.12330%0.303CS..PPolyproline II helixtrans-63.5134.4173.8-21.631.2000112A96 L97 L112 M114 Y132P92-A96 HydrophobicContact CB-CB 4.16Å; P92-L97 HydrophobicContact CB-CD2 3.91Å; P92-L97 HydrophobicContact CB-CG 4.08Å; P92-L97 HydrophobicContact CG-CD2 4.4Å; P92-L112 HydrophobicContact CB-CD2 3.79Å; P92-L112 HydrophobicContact CG-CD2 3.71Å; P92-L112 HydrophobicContact CG-CG 4.34Å; P92-M114 HydrophobicContact CB-SD 3.98Å; P92-M114 HydrophobicContact CG-CG 3.84Å; P92-M114 HydrophobicContact CG-SD 3.88Å; P92-Y132 WeakPolarHBondContact CD-OH 3.33Å; P92-Y132 HydrophobicContact CG-CD1 4.16Å; P92-Y132 HydrophobicContact CG-CD2 3.77Å; P92-Y132 HydrophobicContact CG-CE1 4.03Å; P92-Y132 HydrophobicContact CG-CE2 3.64Å; P92-Y132 HydrophobicContact CG-CG 4.05Å
93T94.3Very high92.7Very high48 Ų4852.2 Ų52.229%0.29431%0.305SS..PPolyproline II helixtrans-68.2159.5172.363.30000111.8Q82 S91 C95 A96 L97Q82-T93 PolarHBondContact NE2-OG1 2.9Å; Q82-T93 PolarHBondContact OE1-OG1 3.49Å; S91-T93 PolarHBondContact O-N 2.85Å; T93-C95 PolarHBondContact O-N 2.94Å; T93-C95 VanDerWaalsContact O-N 3.15Å; T93-A96 WeakPolarHBondContact O-CB 3.44Å; T93-A96 PolarHBondContact O-N 3.32Å; T93-A96 PolarHBondContact OG1-N 3.03Å; T93-A96 VanDerWaalsContact OG1-N 3.17Å; T93-L97 PolarHBondContact O-N 2.79Å
94P93.5Very high92.6Very high101 Ų10152.3 Ų52.366%0.65631%0.305SS*.Hα-helixtrans-56.3-30172.1-26.635.3000113.7K98P94-K98 WeakPolarHBondContact O-CG 3.22Å; P94-K98 PolarHBondContact O-N 2.92Å
95C92.3Very high92.5Very high39 Ų3957.4 Ų57.426%0.26433%0.329SS..Hα-helixtrans-69-47.2174.6-166.20000111.1T93 L97 K98 I99T93-C95 PolarHBondContact O-N 2.94Å; T93-C95 VanDerWaalsContact O-N 3.15Å; C95-L97 VanDerWaalsContact C-N 3.3Å; C95-L97 PolarHBondContact O-N 2.61Å; C95-K98 PolarHBondContact O-N 3.22Å; C95-K98 VanDerWaalsContact O-N 3.16Å; C95-I99 WeakPolarHBondContact O-CG1 3.49Å; C95-I99 PolarHBondContact O-N 3.22Å
96A94.7Very high92.3Very high0 Ų061.3 Ų61.30%034%0.338CS..Hα-helixtrans-54.3-46.4175.500000112.1Y80 P92 T93 K98 I99 A100 L112Y80-A96 HydrophobicContact CD1-CB 4.26Å; Y80-A96 HydrophobicContact CE1-CB 3.58Å; P92-A96 HydrophobicContact CB-CB 4.16Å; T93-A96 WeakPolarHBondContact O-CB 3.44Å; T93-A96 PolarHBondContact O-N 3.32Å; T93-A96 PolarHBondContact OG1-N 3.03Å; T93-A96 VanDerWaalsContact OG1-N 3.17Å; A96-K98 PolarHBondContact O-N 2.86Å; A96-I99 PolarHBondContact O-N 2.73Å; A96-A100 VanDerWaalsContact O-CB 3.26Å; A96-A100 WeakPolarHBondContact O-CB 3.11Å; A96-A100 PolarHBondContact O-N 3.43Å; A96-L112 HydrophobicContact CB-CD1 4.44Å
97L95.4Very high92.2Very high56 Ų5658.5 Ų58.529%0.29332%0.319SS..Hα-helixtrans-61.6-43.1179.2-65.9173.6000111.7P92 T93 C95 A100 D101 L112 W139P92-L97 HydrophobicContact CB-CD2 3.91Å; P92-L97 HydrophobicContact CB-CG 4.08Å; P92-L97 HydrophobicContact CG-CD2 4.4Å; T93-L97 PolarHBondContact O-N 2.79Å; C95-L97 VanDerWaalsContact C-N 3.3Å; C95-L97 PolarHBondContact O-N 2.61Å; L97-A100 PolarHBondContact O-N 3.24Å; L97-D101 WeakPolarHBondContact O-CB 3.29Å; L97-D101 VanDerWaalsContact O-CG 3.32Å; L97-D101 PolarHBondContact O-N 2.94Å; L97-L112 HydrophobicContact CD2-CD2 3.91Å; L97-W139 HydrophobicContact CD2-CB 3.7Å; L97-W139 HydrophobicContact CD2-CG 3.71Å
98K93.8Very high92.1Very high161 Ų16161 Ų6170%0.733%0.33SS*.Hα-helixtrans-63.4-42.2176.6-74.6177.1179.9-178.20112.7P94 C95 A96 D101 K102P94-K98 WeakPolarHBondContact O-CG 3.22Å; P94-K98 PolarHBondContact O-N 2.92Å; C95-K98 PolarHBondContact O-N 3.22Å; C95-K98 VanDerWaalsContact O-N 3.16Å; A96-K98 PolarHBondContact O-N 2.86Å; K98-D101 PolarHBondContact O-N 3.29Å; K98-K102 PolarHBondContact O-N 3.31Å
99I94.3Very high92.1Very high14 Ų1458.8 Ų58.87%0.07231%0.31CS..Hα-helixtrans-66.1-46.5177.5-63.8165.4000109.7T59 Y80 C95 A96 D101 K102 I103T59-I99 HydrophobicContact CG2-CD1 3.71Å; T59-I99 HydrophobicContact CG2-CG1 4.24Å; Y80-I99 HydrophobicContact CD2-CB 4.39Å; Y80-I99 HydrophobicContact CD2-CG2 3.68Å; Y80-I99 HydrophobicContact CE2-CB 4.46Å; Y80-I99 HydrophobicContact CE2-CD1 3.79Å; Y80-I99 HydrophobicContact CE2-CG2 4.05Å; Y80-I99 HydrophobicContact CG-CG2 4.24Å; C95-I99 WeakPolarHBondContact O-CG1 3.49Å; C95-I99 PolarHBondContact O-N 3.22Å; A96-I99 PolarHBondContact O-N 2.73Å; I99-D101 VanDerWaalsContact C-N 3.31Å; I99-D101 PolarHBondContact O-N 3.47Å; I99-K102 WeakPolarHBondContact O-CB 3.33Å; I99-K102 PolarHBondContact O-N 3.01Å; I99-K102 VanDerWaalsContact O-N 3.09Å; I99-I103 HydrophobicContact CG2-CD1 3.97Å; I99-I103 WeakPolarHBondContact O-CG1 3.36Å; I99-I103 PolarHBondContact O-N 3.31Å
100A95.4Very high92.2Very high1 Ų156 Ų561%0.00830%0.296CS..Hα-helixtrans-61.1-40.5177.700000111.5A96 L97 K102 I103 A104 L112 W139A96-A100 VanDerWaalsContact O-CB 3.26Å; A96-A100 WeakPolarHBondContact O-CB 3.11Å; A96-A100 PolarHBondContact O-N 3.43Å; L97-A100 PolarHBondContact O-N 3.24Å; A100-K102 VanDerWaalsContact C-N 3.31Å; A100-K102 PolarHBondContact O-N 2.98Å; A100-I103 PolarHBondContact O-N 3.01Å; A100-A104 WeakPolarHBondContact O-CB 3.49Å; A100-A104 PolarHBondContact O-N 3.09Å; A100-L112 HydrophobicContact CB-CB 4.32Å; A100-L112 HydrophobicContact CB-CD2 4.26Å; A100-W139 VanDerWaalsContact C-CZ2 3.46Å; A100-W139 HydrophobicContact CB-CD2 4.38Å; A100-W139 HydrophobicContact CB-CH2 3.8Å; A100-W139 HydrophobicContact CB-CZ2 3.37Å; A100-W139 HydrophobicContact CB-CZ3 4.47Å; A100-W139 WeakPolarHBondContact O-CZ2 3.23Å
101D94.7Very high92.5Very high51 Ų5154.5 Ų54.527%0.27329%0.288SS..Hα-helixtrans-59.7-41.8173.1-80.5-25.3000112.1L97 K98 I99 A104 E105 R134 W139L97-D101 WeakPolarHBondContact O-CB 3.29Å; L97-D101 VanDerWaalsContact O-CG 3.32Å; L97-D101 PolarHBondContact O-N 2.94Å; K98-D101 PolarHBondContact O-N 3.29Å; I99-D101 VanDerWaalsContact C-N 3.31Å; I99-D101 PolarHBondContact O-N 3.47Å; D101-A104 PolarHBondContact O-N 3.35Å; D101-E105 PolarHBondContact O-N 3.48Å; D101-R134 PolarHBondContact O-NH1 2.96Å; D101-R134 IonicContact OD1-CZ 2.7Å; D101-R134 IonicContact OD1-NE 3.23Å; D101-R134 IonicContact OD1-NH1 3.67Å; D101-R134 PolarHBondContact OD1-NH1 3.42Å; D101-W139 PolarHBondContact OD1-NE1 2.61Å
102K93.3Very high92.6Very high113 Ų11351.9 Ų51.949%0.49127%0.27SS..Hα-helixtrans-66.1-40.4178.2-171.560.6-176.5170.30112.3K98 I99 A100 A104 E105K98-K102 PolarHBondContact O-N 3.31Å; I99-K102 WeakPolarHBondContact O-CB 3.33Å; I99-K102 PolarHBondContact O-N 3.01Å; I99-K102 VanDerWaalsContact O-N 3.09Å; A100-K102 VanDerWaalsContact C-N 3.31Å; A100-K102 PolarHBondContact O-N 2.98Å; K102-A104 VanDerWaalsContact C-N 3.31Å; K102-E105 WeakPolarHBondContact CD-OE2 3.48Å; K102-E105 IonicContact NZ-OE2 2.69Å; K102-E105 PolarHBondContact NZ-OE2 2.95Å; K102-E105 WeakPolarHBondContact O-CB 3.11Å; K102-E105 PolarHBondContact O-N 2.91Å
103I94.4Very high92.7Very high7 Ų751 Ų514%0.03626%0.264CS..Hα-helixtrans-64.4-39.9174.3-65.2166.8000110.2L29 I77 I99 A100 E105 Q106 C107 A110L29-I103 HydrophobicContact CD2-CD1 4.03Å; I77-I103 HydrophobicContact CG2-CD1 3.9Å; I77-I103 HydrophobicContact CG2-CG1 4.02Å; I77-I103 HydrophobicContact CG2-CG2 3.98Å; I99-I103 HydrophobicContact CG2-CD1 3.97Å; I99-I103 WeakPolarHBondContact O-CG1 3.36Å; I99-I103 PolarHBondContact O-N 3.31Å; A100-I103 PolarHBondContact O-N 3.01Å; I103-E105 VanDerWaalsContact C-N 3.26Å; I103-E105 PolarHBondContact O-N 2.9Å; I103-Q106 CarbonylContact O-C 3.5Å; I103-Q106 PolarHBondContact O-N 2.77Å; I103-C107 HydrophobicContact CG2-CB 4.45Å; I103-C107 PolarHBondContact O-N 2.54Å; I103-A110 HydrophobicContact CG2-CB 3.89Å
104A92.9Very high92.8Very high10 Ų1048.7 Ų48.78%0.08325%0.25CC..Hα-helixtrans-65.6-24.5-179.900000113.9A100 D101 K102 Q106 C107 A110 R134 W139A100-A104 WeakPolarHBondContact O-CB 3.49Å; A100-A104 PolarHBondContact O-N 3.09Å; D101-A104 PolarHBondContact O-N 3.35Å; K102-A104 VanDerWaalsContact C-N 3.31Å; A104-Q106 PolarHBondContact O-N 2.95Å; A104-C107 WeakPolarHBondContact CA-O 3.34Å; A104-C107 CarbonylContact O-C 3.53Å; A104-C107 PolarHBondContact O-N 2.99Å; A104-A110 HydrophobicContact CB-CB 3.9Å; A104-R134 VanDerWaalsContact CB-NH1 3.34Å; A104-W139 HydrophobicContact CB-CZ2 4.25Å
105E91.6Very high92.8Very high125 Ų12544.1 Ų44.158%0.58422%0.22SC*.THydrogen-bonded Turntrans-62.8-27.7170.9-68.2173-169.300112.6D101 K102 I103D101-E105 PolarHBondContact O-N 3.48Å; K102-E105 WeakPolarHBondContact CD-OE2 3.48Å; K102-E105 IonicContact NZ-OE2 2.69Å; K102-E105 PolarHBondContact NZ-OE2 2.95Å; K102-E105 WeakPolarHBondContact O-CB 3.11Å; K102-E105 PolarHBondContact O-N 2.91Å; I103-E105 VanDerWaalsContact C-N 3.26Å; I103-E105 PolarHBondContact O-N 2.9Å
106Q87.4Confident92.8Very high130 Ų13042.9 Ų42.961%0.60721%0.211SC*.THydrogen-bonded Turntrans-105.6-17-180-62.2177.7-26.400112.7R76 I103 A104R76-Q106 PolarHBondContact NH2-O 3.06Å; I103-Q106 CarbonylContact O-C 3.5Å; I103-Q106 PolarHBondContact O-N 2.77Å; A104-Q106 PolarHBondContact O-N 2.95Å
107C87.6Confident92.5Very high9 Ų944 Ų446%0.06122%0.222CC..  trans-137.597.3-179-171.10000110.8R76 I103 A104 N109 A110R76-C107 VanDerWaalsContact NH2-CB 3.31Å; R76-C107 PolarHBondContact NH2-SG 2.85Å; I103-C107 HydrophobicContact CG2-CB 4.45Å; I103-C107 PolarHBondContact O-N 2.54Å; A104-C107 WeakPolarHBondContact CA-O 3.34Å; A104-C107 CarbonylContact O-C 3.53Å; A104-C107 PolarHBondContact O-N 2.99Å; C107-N109 PolarHBondContact O-N 3.44Å; C107-A110 HydrophobicContact CB-CB 4.27Å; C107-A110 VanDerWaalsContact O-CB 3.28Å; C107-A110 WeakPolarHBondContact O-CB 3.35Å; C107-A110 PolarHBondContact O-N 3.2Å
108N85.4Confident92.1Very high143 Ų14343.1 Ų43.177%0.76523%0.226SC*.THydrogen-bonded Turntrans-54.8-27.7-178.2-67.1-2.9000114.5
109N87.5Confident91.9Very high53 Ų5338 Ų3828%0.28320%0.204SC..THydrogen-bonded Turntrans-100.424.3179.1-63.2-18.6000112.3G38 V40 C107 V111G38-N109 PolarHBondContact O-ND2 3.3Å; G38-N109 VanDerWaalsContact O-ND2 3.13Å; V40-N109 HydrophobicContact CG2-CB 3.4Å; V40-N109 WeakPolarHBondContact CG2-O 3.49Å; C107-N109 PolarHBondContact O-N 3.44Å; N109-V111 WeakPolarHBondContact O-CG1 3.35Å; N109-V111 PolarHBondContact O-N 2.69Å
110A92.3Very high91.5Very high6 Ų638.8 Ų38.85%0.0521%0.208CC..  trans-55.2141.5-177.600000112.4V78 I103 A104 C107 W139V78-A110 VanDerWaalsContact O-CA 3.26Å; V78-A110 WeakPolarHBondContact O-CA 3.39Å; I103-A110 HydrophobicContact CG2-CB 3.89Å; A104-A110 HydrophobicContact CB-CB 3.9Å; C107-A110 HydrophobicContact CB-CB 4.27Å; C107-A110 VanDerWaalsContact O-CB 3.28Å; C107-A110 WeakPolarHBondContact O-CB 3.35Å; C107-A110 PolarHBondContact O-N 3.2Å; A110-W139 HydrophobicContact CB-CH2 4.18Å
111V93.4Very high90.9Very high3 Ų341 Ų412%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-117.1146.5-178.5-550000111.4V4 L30 V40 V42 V78 G79 Y80 N109 M131V4-V111 HydrophobicContact CG1-CG1 4.36Å; V4-V111 HydrophobicContact CG2-CG1 3.81Å; L30-V111 HydrophobicContact CD1-CG2 3.69Å; V40-V111 HydrophobicContact CG1-CG1 4.35Å; V42-V111 HydrophobicContact CG2-CG2 4.42Å; V78-V111 PolarHBondContact O-N 2.98Å; G79-V111 CarbonylContact C-O 3.59Å; G79-V111 WeakPolarHBondContact CA-O 3.34Å; Y80-V111 PolarHBondContact N-O 3.37Å; N109-V111 WeakPolarHBondContact O-CG1 3.35Å; N109-V111 PolarHBondContact O-N 2.69Å; V111-M131 HydrophobicContact CB-CE 4.32Å; V111-M131 HydrophobicContact CG1-CE 3.81Å
112L96Very high89.8Confident0 Ų042 Ų420%023%0.232CC..EExtended strand (participates in β ladder)trans-120.9115.3175.3167.160.5000108.7Y80 P92 A96 L97 A100 M114 Y132 W139Y80-L112 HydrophobicContact CD1-CD1 3.58Å; Y80-L112 HydrophobicContact CE1-CD1 4.32Å; Y80-L112 CarbonylContact O-C 3.53Å; Y80-L112 WeakPolarHBondContact O-CA 3.13Å; P92-L112 HydrophobicContact CB-CD2 3.79Å; P92-L112 HydrophobicContact CG-CD2 3.71Å; P92-L112 HydrophobicContact CG-CG 4.34Å; A96-L112 HydrophobicContact CB-CD1 4.44Å; L97-L112 HydrophobicContact CD2-CD2 3.91Å; A100-L112 HydrophobicContact CB-CB 4.32Å; A100-L112 HydrophobicContact CB-CD2 4.26Å; L112-M114 HydrophobicContact CD1-SD 4.41Å; L112-Y132 HydrophobicContact CD2-CG 4.45Å; L112-Y132 PolarHBondContact N-O 2.68Å; L112-Y132 VanDerWaalsContact N-O 3.14Å; L112-Y132 PolarHBondContact O-N 2.97Å; L112-W139 HydrophobicContact CB-CD2 4.49Å; L112-W139 HydrophobicContact CB-CE3 3.72Å; L112-W139 HydrophobicContact CB-CH2 4.34Å; L112-W139 HydrophobicContact CB-CZ3 3.62Å; L112-W139 HydrophobicContact CD2-CD2 4.2Å; L112-W139 HydrophobicContact CD2-CE3 4.13Å; L112-W139 HydrophobicContact CD2-CG 4.43Å
113L96.1Very high89.1Confident1 Ų143.3 Ų43.31%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-107.8121.7-177.4-57.9-174.2000110.6M14 L30 Y80 Y81 Q82 I129 M131 I147M14-L113 HydrophobicContact CE-CB 4.21Å; M14-L113 HydrophobicContact CE-CD1 4.1Å; M14-L113 HydrophobicContact SD-CD1 4.37Å; L30-L113 HydrophobicContact CD1-CB 4.31Å; L30-L113 HydrophobicContact CD1-CD1 3.52Å; L30-L113 HydrophobicContact CD1-CG 3.63Å; L30-L113 HydrophobicContact CD2-CD1 4.26Å; Y80-L113 PolarHBondContact O-N 3.25Å; Y81-L113 CarbonylContact C-O 3.48Å; Y81-L113 WeakPolarHBondContact CA-O 3.33Å; Y81-L113 WeakPolarHBondContact CB-O 3.22Å; Q82-L113 PolarHBondContact N-O 3.37Å; L113-I129 HydrophobicContact CB-CG2 4.1Å; L113-I129 HydrophobicContact CD1-CG2 4.39Å; L113-I129 HydrophobicContact CD2-CG2 4.02Å; L113-I129 HydrophobicContact CG-CG2 4.39Å; L113-M131 HydrophobicContact CD2-CB 3.78Å; L113-M131 HydrophobicContact CD2-CG 3.89Å; L113-I147 HydrophobicContact CD2-CD1 4.12Å
114M96.1Very high88.5Confident0 Ų047.9 Ų47.90%026%0.262CS..EExtended strand (participates in β ladder)trans-98.3129.6170.1-60.7-59.8-57.700109.2Q82 N90 S91 P92 L112 I129 V130 Y132Q82-M114 HydrophobicContact CB-CE 4Å; Q82-M114 HydrophobicContact CB-SD 3.87Å; Q82-M114 HydrophobicContact CG-CE 4Å; Q82-M114 HydrophobicContact CG-SD 4.46Å; Q82-M114 CarbonylContact O-C 3.33Å; Q82-M114 VanDerWaalsContact O-CA 3.27Å; Q82-M114 WeakPolarHBondContact O-CA 3.35Å; N90-M114 WeakPolarHBondContact O-CB 3.48Å; N90-M114 WeakPolarHBondContact O-CG 3.44Å; S91-M114 WeakPolarHBondContact O-CE 3.28Å; P92-M114 HydrophobicContact CB-SD 3.98Å; P92-M114 HydrophobicContact CG-CG 3.84Å; P92-M114 HydrophobicContact CG-SD 3.88Å; L112-M114 HydrophobicContact CD1-SD 4.41Å; M114-I129 CarbonylContact O-C 3.59Å; M114-I129 WeakPolarHBondContact O-CA 3.23Å; M114-V130 HydrophobicContact CB-CB 4.17Å; M114-V130 PolarHBondContact N-O 2.92Å; M114-V130 PolarHBondContact O-N 2.9Å; M114-Y132 HydrophobicContact CB-CE2 4.45Å; M114-Y132 HydrophobicContact CG-CD2 4.01Å; M114-Y132 HydrophobicContact CG-CE2 3.72Å
115I94.7Very high88Confident5 Ų555.7 Ų55.73%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-86.7124.4173.8-54.7176.1000108.2M14 Y81 Q82 A83 G117 M120 P128M14-I115 HydrophobicContact CB-CD1 4.02Å; M14-I115 HydrophobicContact CE-CD1 4.03Å; M14-I115 HydrophobicContact CE-CG1 3.95Å; Y81-I115 HydrophobicContact CD2-CD1 3.89Å; Y81-I115 HydrophobicContact CE2-CD1 4.22Å; Q82-I115 PolarHBondContact O-N 2.88Å; A83-I115 HydrophobicContact CB-CB 3.81Å; A83-I115 HydrophobicContact CB-CD1 4.31Å; A83-I115 HydrophobicContact CB-CG1 4.44Å; A83-I115 HydrophobicContact CB-CG2 4.46Å; I115-G117 PolarHBondContact O-N 2.89Å; I115-M120 HydrophobicContact CG2-CE 4.2Å; I115-M120 HydrophobicContact CG2-CG 4Å; I115-M120 HydrophobicContact CG2-SD 3.57Å; I115-M120 VanDerWaalsContact CG2-SD 3.57Å; I115-P128 CarbonylContact C-O 3.52Å; I115-P128 WeakPolarHBondContact CA-O 3.38Å
116D91.9Very high87.7Confident13 Ų1353.7 Ų53.77%0.0729%0.286CS..  trans-84.194.3179.2-172.4-15.5000110.6N90 G118 K119 M120 P128 V130N90-D116 PolarHBondContact ND2-OD1 2.79Å; N90-D116 PolarHBondContact ND2-OD2 3.02Å; N90-D116 WeakPolarHBondContact OD1-CA 3.31Å; D116-G118 PolarHBondContact O-N 3.04Å; D116-G118 VanDerWaalsContact O-N 3.17Å; D116-G118 PolarHBondContact OD1-N 2.89Å; D116-K119 HydrophobicContact CB-CB 4.32Å; D116-K119 HydrophobicContact CB-CG 4.45Å; D116-K119 PolarHBondContact O-N 3.22Å; D116-K119 IonicContact OD2-NZ 3.5Å; D116-K119 PolarHBondContact OD2-NZ 3.24Å; D116-M120 PolarHBondContact O-N 3.42Å; D116-P128 HydrophobicContact CB-CB 4.3Å; D116-P128 PolarHBondContact N-O 2.85Å; D116-P128 WeakPolarHBondContact O-CB 3.23Å; D116-V130 HydrophobicContact CB-CG2 4.48Å
117G88.3Confident87.7Confident24 Ų2449.5 Ų49.525%0.24727%0.27CS..G310 helixtrans-56.1-32.2-178.400000113.4I115 K119 M120I115-G117 PolarHBondContact O-N 2.89Å; G117-K119 PolarHBondContact O-N 2.88Å; G117-M120 PolarHBondContact O-N 3.09Å
118G87.3Confident87.9Confident36 Ų3649.2 Ų49.237%0.37127%0.268SS..G310 helixtrans-67.9-15.4176.500000114.3V87 D116 Y124V87-G118 PolarHBondContact O-N 3.31Å; D116-G118 PolarHBondContact O-N 3.04Å; D116-G118 VanDerWaalsContact O-N 3.17Å; D116-G118 PolarHBondContact OD1-N 2.89Å; G118-Y124 WeakPolarHBondContact O-CE2 3.29Å
119K88.4Confident88.2Confident54 Ų5443.3 Ų43.324%0.23524%0.236CC..G310 helixtrans-1137179.7-61.7-162.4-173.990.90114.1D116 G117 S121 Y124 V126 P128D116-K119 HydrophobicContact CB-CB 4.32Å; D116-K119 HydrophobicContact CB-CG 4.45Å; D116-K119 PolarHBondContact O-N 3.22Å; D116-K119 IonicContact OD2-NZ 3.5Å; D116-K119 PolarHBondContact OD2-NZ 3.24Å; G117-K119 PolarHBondContact O-N 2.88Å; K119-S121 PolarHBondContact O-N 2.89Å; K119-Y124 HydrophobicContact CB-CD1 4.08Å; K119-Y124 HydrophobicContact CB-CD2 4.35Å; K119-Y124 HydrophobicContact CB-CE1 4.37Å; K119-Y124 HydrophobicContact CB-CG 4.06Å; K119-Y124 HydrophobicContact CD-CD1 4.03Å; K119-Y124 HydrophobicContact CD-CE1 4.12Å; K119-Y124 HydrophobicContact CG-CD1 3.91Å; K119-Y124 HydrophobicContact CG-CE1 3.8Å; K119-Y124 HydrophobicContact CG-CG 4.37Å; K119-Y124 WeakPolarHBondContact O-CB 3.32Å; K119-V126 HydrophobicContact CD-CG2 4.36Å; K119-P128 HydrophobicContact CB-CB 3.73Å
120M86.1Confident88.4Confident30 Ų3042.1 Ų42.115%0.14823%0.231CC..  trans-76.1-5178.5-69.7-173.177.300114Y15 I115 D116 G117 P128Y15-M120 HydrophobicContact CD2-CE 3.4Å; Y15-M120 VanDerWaalsContact CD2-CE 3.4Å; Y15-M120 HydrophobicContact CE2-CB 4.07Å; Y15-M120 HydrophobicContact CE2-CE 3.63Å; Y15-M120 HydrophobicContact CE2-CG 4.34Å; Y15-M120 HydrophobicContact CG-CE 4.12Å; Y15-M120 WeakPolarHBondContact O-CE 3.28Å; Y15-M120 PolarHBondContact OH-O 3.42Å; I115-M120 HydrophobicContact CG2-CE 4.2Å; I115-M120 HydrophobicContact CG2-CG 4Å; I115-M120 HydrophobicContact CG2-SD 3.57Å; I115-M120 VanDerWaalsContact CG2-SD 3.57Å; D116-M120 PolarHBondContact O-N 3.42Å; G117-M120 PolarHBondContact O-N 3.09Å; M120-P128 HydrophobicContact CG-CB 4.09Å; M120-P128 HydrophobicContact CG-CG 4.03Å
121S82.6Confident88.4Confident49 Ų4942.1 Ų42.134%0.34323%0.23SC..SBendtrans-62.3140.5173.11720000110.9K119 D123 Y124K119-S121 PolarHBondContact O-N 2.89Å; S121-D123 PolarHBondContact O-N 3.45Å; S121-D123 PolarHBondContact OG-N 2.7Å; S121-D123 PolarHBondContact OG-OD2 2.78Å; S121-Y124 PolarHBondContact O-N 3.14Å; S121-Y124 VanDerWaalsContact O-N 3.09Å
122P73.3Confident88.4Confident70 Ų7043.8 Ų43.846%0.45524%0.236SC..THydrogen-bonded Turntrans-53.3-25.4176.2-25.833.9000114.4Y124P122-Y124 PolarHBondContact O-N 3.32Å
123D78.6Confident88.2Confident141 Ų14144.5 Ų44.575%0.75424%0.239SC*.THydrogen-bonded Turntrans-68.7-19.6-178.5-61.8-40.3000113.5S121S121-D123 PolarHBondContact O-N 3.45Å; S121-D123 PolarHBondContact OG-N 2.7Å; S121-D123 PolarHBondContact OG-OD2 2.78Å
124Y81.1Confident87.9Confident104 Ų10447.7 Ų47.741%0.40825%0.251SS..  trans-77.8128.7178.5-78-91.3000111.1G118 K119 S121 P122 R156G118-Y124 WeakPolarHBondContact O-CE2 3.29Å; K119-Y124 HydrophobicContact CB-CD1 4.08Å; K119-Y124 HydrophobicContact CB-CD2 4.35Å; K119-Y124 HydrophobicContact CB-CE1 4.37Å; K119-Y124 HydrophobicContact CB-CG 4.06Å; K119-Y124 HydrophobicContact CD-CD1 4.03Å; K119-Y124 HydrophobicContact CD-CE1 4.12Å; K119-Y124 HydrophobicContact CG-CD1 3.91Å; K119-Y124 HydrophobicContact CG-CE1 3.8Å; K119-Y124 HydrophobicContact CG-CG 4.37Å; K119-Y124 WeakPolarHBondContact O-CB 3.32Å; S121-Y124 PolarHBondContact O-N 3.14Å; S121-Y124 VanDerWaalsContact O-N 3.09Å; P122-Y124 PolarHBondContact O-N 3.32Å; Y124-R156 PolarHBondContact O-NH1 2.85Å
125R81.9Confident87.4Confident174 Ų17452.7 Ų52.766%0.65727%0.273SS*.  trans-91.53.7178.7-65.8-164.9-179.2-99.20.4114.4W152 E153R125-W152 PolarHBondContact O-NE1 3.43Å; R125-E153 IonicContact NH1-OE1 3.54Å
126V85.7Confident86.9Confident82 Ų8259.7 Ų59.750%0.49731%0.31SS..SBendtrans-119.5144.5177.1-650000109.6K119K119-V126 HydrophobicContact CD-CG2 4.36Å
127P88.6Confident86.5Confident42 Ų4264 Ų6427%0.27334%0.337SS..  trans-54.7131.1174.8-23.330.8000111I129 L149 W152P127-I129 PolarHBondContact O-N 3.38Å; P127-L149 HydrophobicContact CB-CD1 4.32Å; P127-L149 HydrophobicContact CG-CD1 4.18Å; P127-W152 HydrophobicContact CB-CE3 4.32Å; P127-W152 HydrophobicContact CB-CH2 4.16Å; P127-W152 HydrophobicContact CB-CZ2 4.44Å; P127-W152 HydrophobicContact CB-CZ3 4.1Å; P127-W152 HydrophobicContact CG-CD2 3.7Å; P127-W152 HydrophobicContact CG-CE3 3.75Å; P127-W152 HydrophobicContact CG-CG 4.23Å; P127-W152 HydrophobicContact CG-CH2 4.25Å; P127-W152 HydrophobicContact CG-CZ2 4.22Å; P127-W152 HydrophobicContact CG-CZ3 4.02Å
128P91.1Very high86.6Confident4 Ų472 Ų723%0.02636%0.36CS..  trans-7754.2178.133.3-37.2000110.9Y11 I115 D116 K119 M120Y11-P128 WeakPolarHBondContact OH-CD 3.38Å; I115-P128 CarbonylContact C-O 3.52Å; I115-P128 WeakPolarHBondContact CA-O 3.38Å; D116-P128 HydrophobicContact CB-CB 4.3Å; D116-P128 PolarHBondContact N-O 2.85Å; D116-P128 WeakPolarHBondContact O-CB 3.23Å; K119-P128 HydrophobicContact CB-CB 3.73Å; M120-P128 HydrophobicContact CG-CB 4.09Å; M120-P128 HydrophobicContact CG-CG 4.03Å
129I91.9Very high86.9Confident19 Ų1971.7 Ų71.710%0.09735%0.348CS..EExtended strand (participates in β ladder)trans-126.5134.2-175.7-58.9179.9000110.2L6 Y11 M14 L113 M114 P127 I147L6-I129 HydrophobicContact CD2-CD1 3.41Å; L6-I129 VanDerWaalsContact CD2-CD1 3.41Å; Y11-I129 HydrophobicContact CD2-CD1 3.69Å; Y11-I129 HydrophobicContact CE2-CD1 3.95Å; Y11-I129 HydrophobicContact CE2-CG1 4.43Å; M14-I129 HydrophobicContact CE-CD1 4.25Å; L113-I129 HydrophobicContact CB-CG2 4.1Å; L113-I129 HydrophobicContact CD1-CG2 4.39Å; L113-I129 HydrophobicContact CD2-CG2 4.02Å; L113-I129 HydrophobicContact CG-CG2 4.39Å; M114-I129 CarbonylContact O-C 3.59Å; M114-I129 WeakPolarHBondContact O-CA 3.23Å; P127-I129 PolarHBondContact O-N 3.38Å; I129-I147 HydrophobicContact CB-CD1 4.06Å; I129-I147 HydrophobicContact CG2-CD1 3.39Å
130V91.8Very high87.1Confident27 Ų2771.4 Ų71.416%0.16435%0.351CS..EExtended strand (participates in β ladder)trans-118.2118.2174.3179.60000107.5M114 D116 Y132 L141M114-V130 HydrophobicContact CB-CB 4.17Å; M114-V130 PolarHBondContact N-O 2.92Å; M114-V130 PolarHBondContact O-N 2.9Å; D116-V130 HydrophobicContact CB-CG2 4.48Å; V130-Y132 HydrophobicContact CG1-CD2 4.46Å; V130-Y132 HydrophobicContact CG1-CE2 3.77Å; V130-L141 HydrophobicContact CG1-CD1 3.19Å
131M92.6Very high87.3Confident7 Ų775.1 Ų75.13%0.03437%0.37CS..EExtended strand (participates in β ladder)trans-98.5136.6-177.4173.3-177169.900111.7V4 V111 L113 E133 K142 I147V4-M131 HydrophobicContact CB-CE 4.37Å; V4-M131 HydrophobicContact CB-SD 4.18Å; V4-M131 HydrophobicContact CG2-CE 3.43Å; V4-M131 VanDerWaalsContact CG2-CE 3.43Å; V4-M131 HydrophobicContact CG2-SD 3.86Å; V111-M131 HydrophobicContact CB-CE 4.32Å; V111-M131 HydrophobicContact CG1-CE 3.81Å; L113-M131 HydrophobicContact CD2-CB 3.78Å; L113-M131 HydrophobicContact CD2-CG 3.89Å; M131-E133 HydrophobicContact CE-CB 4.2Å; M131-K142 HydrophobicContact CB-CB 4.44Å; M131-K142 HydrophobicContact CE-CD 3.54Å; M131-K142 HydrophobicContact CG-CB 4.24Å; M131-K142 HydrophobicContact CG-CD 4.5Å; M131-K142 WeakPolarHBondContact O-CB 3.5Å; M131-K142 PolarHBondContact O-N 3.44Å; M131-K142 HydrophobicContact SD-CB 4.48Å; M131-K142 HydrophobicContact SD-CD 3.78Å; M131-I147 HydrophobicContact CB-CD1 3.63Å; M131-I147 HydrophobicContact CB-CG1 3.87Å; M131-I147 HydrophobicContact CG-CG1 4.48Å; M131-I147 HydrophobicContact SD-CG1 3.9Å
132Y93.6Very high87.3Confident38 Ų3874 Ų7415%0.14936%0.36CS..EExtended strand (participates in β ladder)trans-111.4137.1167-68.2-102.8000109.4P92 L112 M114 V130 T140 L141P92-Y132 WeakPolarHBondContact CD-OH 3.33Å; P92-Y132 HydrophobicContact CG-CD1 4.16Å; P92-Y132 HydrophobicContact CG-CD2 3.77Å; P92-Y132 HydrophobicContact CG-CE1 4.03Å; P92-Y132 HydrophobicContact CG-CE2 3.64Å; P92-Y132 HydrophobicContact CG-CG 4.05Å; L112-Y132 HydrophobicContact CD2-CG 4.45Å; L112-Y132 PolarHBondContact N-O 2.68Å; L112-Y132 VanDerWaalsContact N-O 3.14Å; L112-Y132 PolarHBondContact O-N 2.97Å; M114-Y132 HydrophobicContact CB-CE2 4.45Å; M114-Y132 HydrophobicContact CG-CD2 4.01Å; M114-Y132 HydrophobicContact CG-CE2 3.72Å; V130-Y132 HydrophobicContact CG1-CD2 4.46Å; V130-Y132 HydrophobicContact CG1-CE2 3.77Å; Y132-T140 WeakPolarHBondContact CA-O 3.45Å; Y132-L141 HydrophobicContact CD1-CB 4.47Å; Y132-L141 HydrophobicContact CE1-CB 4.1Å; Y132-L141 HydrophobicContact CE2-CD1 4.26Å
133E90.3Very high87.4Confident14 Ų1475.6 Ų75.67%0.06536%0.364CS..EExtended strand (participates in β ladder)trans-116.3148.4170.867.7-178.2174.900110.3M131 K135 W139 T140 K142M131-E133 HydrophobicContact CE-CB 4.2Å; E133-K135 HydrophobicContact CG-CG 4.45Å; E133-K135 WeakPolarHBondContact OE1-CE 3.22Å; E133-K135 IonicContact OE1-NZ 2.73Å; E133-K135 PolarHBondContact OE1-NZ 3.33Å; E133-W139 WeakPolarHBondContact O-CA 3.37Å; E133-T140 PolarHBondContact N-O 2.83Å; E133-T140 PolarHBondContact O-N 3.38Å; E133-T140 PolarHBondContact O-OG1 3.24Å; E133-K142 HydrophobicContact CB-CD 4.35Å; E133-K142 HydrophobicContact CG-CD 4.22Å; E133-K142 HydrophobicContact CG-CG 4.44Å; E133-K142 VanDerWaalsContact OE2-CD 3.31Å; E133-K142 WeakPolarHBondContact OE2-CD 3.48Å; E133-K142 WeakPolarHBondContact OE2-CE 3.4Å; E133-K142 IonicContact OE2-NZ 3.51Å; E133-K142 PolarHBondContact OE2-NZ 3.18Å
134R89.7Confident86.8Confident68 Ų6876.8 Ų76.826%0.25736%0.363SS..EExtended strand (participates in β ladder)trans-85116.1174.6-172170.9165174.4-5109.9D101 A104 D136 R138 W139D101-R134 PolarHBondContact O-NH1 2.96Å; D101-R134 IonicContact OD1-CZ 2.7Å; D101-R134 IonicContact OD1-NE 3.23Å; D101-R134 IonicContact OD1-NH1 3.67Å; D101-R134 PolarHBondContact OD1-NH1 3.42Å; A104-R134 VanDerWaalsContact CB-NH1 3.34Å; R134-D136 PolarHBondContact NE-O 3.45Å; R134-D136 VanDerWaalsContact NE-O 3.17Å; R134-R138 WeakPolarHBondContact CA-O 3.42Å; R134-W139 HydrophobicContact CB-CD2 4.09Å; R134-W139 HydrophobicContact CB-CE3 4.11Å; R134-W139 HydrophobicContact CB-CH2 3.93Å; R134-W139 HydrophobicContact CB-CZ2 3.87Å; R134-W139 HydrophobicContact CB-CZ3 4.04Å; R134-W139 HydrophobicContact CG-CZ2 4.4Å
135K85.9Confident86Confident105 Ų10580 Ų8046%0.45738%0.381SS..EExtended strand (participates in β ladder)trans-107.6117167.1-75.3178.9175140.60108.1E133 T137 R138E133-K135 HydrophobicContact CG-CG 4.45Å; E133-K135 WeakPolarHBondContact OE1-CE 3.22Å; E133-K135 IonicContact OE1-NZ 2.73Å; E133-K135 PolarHBondContact OE1-NZ 3.33Å; K135-T137 PolarHBondContact O-N 2.9Å; K135-R138 PolarHBondContact N-O 2.93Å; K135-R138 PolarHBondContact O-N 2.94Å
136D84.1Confident85.4Confident152 Ų15273 Ų7381%0.81336%0.357SS*.THydrogen-bonded Turntrans55.9-91.9-172.2-49.6-49.2000112.1R134R134-D136 PolarHBondContact NE-O 3.45Å; R134-D136 VanDerWaalsContact NE-O 3.17Å
137T84.1Confident85.2Confident104 Ų10470.6 Ų70.664%0.63834%0.342SS*.THydrogen-bonded Turntrans-126.65-176.955.10000112.9K135K135-T137 PolarHBondContact O-N 2.9Å
138R90.1Very high85.1Confident192 Ų19271.3 Ų71.373%0.72534%0.342SS*.EExtended strand (participates in β ladder)trans-122.2135.7-176.8-65.8-174.7178.7-176.4-0111.3R134 K135R134-R138 WeakPolarHBondContact CA-O 3.42Å; K135-R138 PolarHBondContact N-O 2.93Å; K135-R138 PolarHBondContact O-N 2.94Å
139W93.8Very high84.9Confident30 Ų3072.1 Ų72.111%0.11435%0.346CS..EExtended strand (participates in β ladder)trans-79.6117.2168.9-68.290.1000109.1L97 A100 D101 A104 A110 L112 E133 R134L97-W139 HydrophobicContact CD2-CB 3.7Å; L97-W139 HydrophobicContact CD2-CG 3.71Å; A100-W139 VanDerWaalsContact C-CZ2 3.46Å; A100-W139 HydrophobicContact CB-CD2 4.38Å; A100-W139 HydrophobicContact CB-CH2 3.8Å; A100-W139 HydrophobicContact CB-CZ2 3.37Å; A100-W139 HydrophobicContact CB-CZ3 4.47Å; A100-W139 WeakPolarHBondContact O-CZ2 3.23Å; D101-W139 PolarHBondContact OD1-NE1 2.61Å; A104-W139 HydrophobicContact CB-CZ2 4.25Å; A110-W139 HydrophobicContact CB-CH2 4.18Å; L112-W139 HydrophobicContact CB-CD2 4.49Å; L112-W139 HydrophobicContact CB-CE3 3.72Å; L112-W139 HydrophobicContact CB-CH2 4.34Å; L112-W139 HydrophobicContact CB-CZ3 3.62Å; L112-W139 HydrophobicContact CD2-CD2 4.2Å; L112-W139 HydrophobicContact CD2-CE3 4.13Å; L112-W139 HydrophobicContact CD2-CG 4.43Å; E133-W139 WeakPolarHBondContact O-CA 3.37Å; R134-W139 HydrophobicContact CB-CD2 4.09Å; R134-W139 HydrophobicContact CB-CE3 4.11Å; R134-W139 HydrophobicContact CB-CH2 3.93Å; R134-W139 HydrophobicContact CB-CZ2 3.87Å; R134-W139 HydrophobicContact CB-CZ3 4.04Å; R134-W139 HydrophobicContact CG-CZ2 4.4Å
140T92Very high84.5Confident48 Ų4878.9 Ų78.929%0.29437%0.37SS..EExtended strand (participates in β ladder)trans-116.3140.8-179.658.30000110.3Y132 E133 K142Y132-T140 WeakPolarHBondContact CA-O 3.45Å; E133-T140 PolarHBondContact N-O 2.83Å; E133-T140 PolarHBondContact O-N 3.38Å; E133-T140 PolarHBondContact O-OG1 3.24Å; T140-K142 PolarHBondContact O-N 3.2Å
141L90.3Very high84.3Confident107 Ų10784 Ų8456%0.5639%0.392SS*.EExtended strand (participates in β ladder)trans-59.7130.4174.1178.564.8000109.7V130 Y132V130-L141 HydrophobicContact CG1-CD1 3.19Å; Y132-L141 HydrophobicContact CD1-CB 4.47Å; Y132-L141 HydrophobicContact CE1-CB 4.1Å; Y132-L141 HydrophobicContact CE2-CD1 4.26Å
142K84Confident84.2Confident27 Ų2785.2 Ų85.212%0.11740%0.397CS..PPolyproline II helixtrans-96.1152.6175.7-153.4172.8-169.4169.50110.7M131 E133 T140 T146M131-K142 HydrophobicContact CB-CB 4.44Å; M131-K142 HydrophobicContact CE-CD 3.54Å; M131-K142 HydrophobicContact CG-CB 4.24Å; M131-K142 HydrophobicContact CG-CD 4.5Å; M131-K142 WeakPolarHBondContact O-CB 3.5Å; M131-K142 PolarHBondContact O-N 3.44Å; M131-K142 HydrophobicContact SD-CB 4.48Å; M131-K142 HydrophobicContact SD-CD 3.78Å; E133-K142 HydrophobicContact CB-CD 4.35Å; E133-K142 HydrophobicContact CG-CD 4.22Å; E133-K142 HydrophobicContact CG-CG 4.44Å; E133-K142 VanDerWaalsContact OE2-CD 3.31Å; E133-K142 WeakPolarHBondContact OE2-CD 3.48Å; E133-K142 WeakPolarHBondContact OE2-CE 3.4Å; E133-K142 IonicContact OE2-NZ 3.51Å; E133-K142 PolarHBondContact OE2-NZ 3.18Å; T140-K142 PolarHBondContact O-N 3.2Å; K142-T146 HydrophobicContact CD-CG2 3.69Å; K142-T146 HydrophobicContact CG-CG2 4.38Å
143D74.1Confident84.1Confident102 Ų10286.4 Ų86.455%0.54540%0.404SS..PPolyproline II helixtrans-60.3140.5175.3-164.1-62.5000110.6H145 T146D143-H145 PolarHBondContact O-N 3.47Å; D143-H145 VanDerWaalsContact O-N 3.1Å; D143-H145 IonicContact OD1-CD2 3.99Å; D143-H145 PolarHBondContact OD1-CD2 3.41Å; D143-H145 IonicContact OD1-CG 3.54Å; D143-H145 PolarHBondContact OD1-N 3.1Å; D143-T146 WeakPolarHBondContact O-CB 3.26Å; D143-T146 PolarHBondContact O-N 3.46Å; D143-T146 PolarHBondContact O-OG1 3.46Å
144K66.8Low84.3Confident167 Ų16790.3 Ų90.373%0.72642%0.422SS*.G310 helixtrans-56.4-26.3-178.3-67.9179.8-179.1172.50113T146K144-T146 PolarHBondContact O-N 3.39Å
145H64.2Low84.5Confident172 Ų17287.2 Ų87.280%0.79641%0.41SS*.G310 helixtrans-74.7-0.8179.4-65.8-65.5000114.6D143D143-H145 PolarHBondContact O-N 3.47Å; D143-H145 VanDerWaalsContact O-N 3.1Å; D143-H145 IonicContact OD1-CD2 3.99Å; D143-H145 PolarHBondContact OD1-CD2 3.41Å; D143-H145 IonicContact OD1-CG 3.54Å; D143-H145 PolarHBondContact OD1-N 3.1Å
146T69.4Low84.9Confident26 Ų2683.9 Ų83.916%0.1640%0.395CS..G310 helixtrans-95.5-11.1-171.9-29.60000115.5V4 K142 D143 K144V4-T146 PolarHBondContact N-O 3.35Å; K142-T146 HydrophobicContact CD-CG2 3.69Å; K142-T146 HydrophobicContact CG-CG2 4.38Å; D143-T146 WeakPolarHBondContact O-CB 3.26Å; D143-T146 PolarHBondContact O-N 3.46Å; D143-T146 PolarHBondContact O-OG1 3.46Å; K144-T146 PolarHBondContact O-N 3.39Å
147I81.6Confident85.4Confident32 Ų3282.4 Ų82.416%0.16438%0.383CS..EExtended strand (participates in β ladder)trans-91.8115.4170.2-53.7176.1000107.4V4 L6 L113 I129 M131V4-I147 WeakPolarHBondContact O-CA 3.4Å; L6-I147 HydrophobicContact CB-CG2 4.04Å; L113-I147 HydrophobicContact CD2-CD1 4.12Å; I129-I147 HydrophobicContact CB-CD1 4.06Å; I129-I147 HydrophobicContact CG2-CD1 3.39Å; M131-I147 HydrophobicContact CB-CD1 3.63Å; M131-I147 HydrophobicContact CB-CG1 3.87Å; M131-I147 HydrophobicContact CG-CG1 4.48Å; M131-I147 HydrophobicContact SD-CG1 3.9Å
148M86.4Confident85.9Confident57 Ų5778 Ų7828%0.28136%0.355SS..EExtended strand (participates in β ladder)trans-89.7110.3171.4-64.4-169.9-62.100108.8E3 V4 E5 L6E3-M148 HydrophobicContact CB-CE 3.37Å; E3-M148 HydrophobicContact CB-CG 4.4Å; E3-M148 HydrophobicContact CB-SD 4.06Å; E3-M148 HydrophobicContact CG-CE 4.2Å; E3-M148 HydrophobicContact CG-SD 4.37Å; E3-M148 VanDerWaalsContact OE2-CE 3.22Å; E3-M148 WeakPolarHBondContact OE2-CE 3.39Å; V4-M148 PolarHBondContact O-N 3Å; E5-M148 CarbonylContact C-O 3.52Å; E5-M148 WeakPolarHBondContact CA-O 3.42Å; E5-M148 HydrophobicContact CB-CE 4.49Å; L6-M148 PolarHBondContact N-O 3.39Å
149L86.4Confident86.2Confident21 Ų2168.9 Ų68.911%0.1132%0.321CS..  trans-113.393.6170.6-156.5162.2000106.4L6 Y11 P127 W152 T155L6-L149 HydrophobicContact CB-CG 4.49Å; L6-L149 HydrophobicContact CD2-CD1 4.02Å; L6-L149 HydrophobicContact CG-CD1 4.46Å; Y11-L149 HydrophobicContact CD2-CD1 3.63Å; Y11-L149 HydrophobicContact CE2-CD1 4.39Å; Y11-L149 HydrophobicContact CG-CD1 3.88Å; P127-L149 HydrophobicContact CB-CD1 4.32Å; P127-L149 HydrophobicContact CG-CD1 4.18Å; L149-W152 HydrophobicContact CD1-CE3 4Å; L149-W152 HydrophobicContact CD1-CZ3 4.28Å; L149-W152 HydrophobicContact CD2-CB 4.2Å; L149-W152 HydrophobicContact CD2-CE3 3.85Å; L149-T155 HydrophobicContact CD2-CG2 4.01Å
150R83.1Confident86.2Confident161 Ų16169 Ų6961%0.60832%0.324SS*.THydrogen-bonded Turntrans-63.2141.3-179.9-59.4-174.7-171.6-179.212.2108.1E5 W152E5-R150 WeakPolarHBondContact OE1-CD 3.18Å; E5-R150 IonicContact OE1-CZ 3.47Å; E5-R150 VanDerWaalsContact OE1-CZ 3.24Å; E5-R150 IonicContact OE1-NE 3.43Å; E5-R150 PolarHBondContact OE1-NE 2.87Å; E5-R150 IonicContact OE1-NH1 3.33Å; E5-R150 IonicContact OE1-NH2 2.61Å; E5-R150 PolarHBondContact OE1-NH2 3.31Å; E5-R150 IonicContact OE2-CZ 2.68Å; E5-R150 IonicContact OE2-NE 3.24Å; E5-R150 PolarHBondContact OE2-NE 3.24Å; E5-R150 IonicContact OE2-NH2 2.94Å; E5-R150 PolarHBondContact OE2-NH2 3.04Å; R150-W152 PolarHBondContact O-N 3.33Å
151Q88.6Confident86.4Confident134 Ų13471.4 Ų71.463%0.62633%0.332SS*.THydrogen-bonded Turntrans5751.6178.1-61.9169.3-35.700112.3E154 T155Q151-E154 WeakPolarHBondContact CA-OE2 3.33Å; Q151-E154 HydrophobicContact CB-CB 4.24Å; Q151-E154 HydrophobicContact CB-CG 4.39Å; Q151-E154 VanDerWaalsContact CB-OE2 3.27Å; Q151-E154 WeakPolarHBondContact CB-OE2 3.43Å; Q151-E154 PolarHBondContact O-N 3Å; Q151-T155 WeakPolarHBondContact O-CB 3.27Å; Q151-T155 PolarHBondContact O-N 2.94Å; Q151-T155 PolarHBondContact O-OG1 3.45Å
152W90.8Very high86.7Confident33 Ų3366.3 Ų66.313%0.12531%0.305CS..Hα-helixtrans-61.9-42.5-177.4163.9-118.4000112.9Y11 R125 P127 L149 R150 E154 T155 R156Y11-W152 HydrophobicContact CD1-CZ3 4.21Å; Y11-W152 HydrophobicContact CD2-CZ3 4.28Å; Y11-W152 HydrophobicContact CE1-CH2 4.16Å; Y11-W152 AromaticContact CE1-CZ3 3.64Å; Y11-W152 HydrophobicContact CE1-CZ3 3.64Å; Y11-W152 HydrophobicContact CE2-CH2 4.14Å; Y11-W152 AromaticContact CE2-CZ3 3.72Å; Y11-W152 HydrophobicContact CE2-CZ3 3.72Å; Y11-W152 AromaticContact CZ-CH2 3.62Å; Y11-W152 AromaticContact CZ-CZ3 3.38Å; Y11-W152 VanDerWaalsContact OH-CH2 3.32Å; Y11-W152 WeakPolarHBondContact OH-CH2 3.47Å; R125-W152 PolarHBondContact O-NE1 3.43Å; P127-W152 HydrophobicContact CB-CE3 4.32Å; P127-W152 HydrophobicContact CB-CH2 4.16Å; P127-W152 HydrophobicContact CB-CZ2 4.44Å; P127-W152 HydrophobicContact CB-CZ3 4.1Å; P127-W152 HydrophobicContact CG-CD2 3.7Å; P127-W152 HydrophobicContact CG-CE3 3.75Å; P127-W152 HydrophobicContact CG-CG 4.23Å; P127-W152 HydrophobicContact CG-CH2 4.25Å; P127-W152 HydrophobicContact CG-CZ2 4.22Å; P127-W152 HydrophobicContact CG-CZ3 4.02Å; L149-W152 HydrophobicContact CD1-CE3 4Å; L149-W152 HydrophobicContact CD1-CZ3 4.28Å; L149-W152 HydrophobicContact CD2-CB 4.2Å; L149-W152 HydrophobicContact CD2-CE3 3.85Å; R150-W152 PolarHBondContact O-N 3.33Å; W152-E154 VanDerWaalsContact C-N 3.34Å; W152-E154 PolarHBondContact O-N 3.47Å; W152-T155 PolarHBondContact O-N 3.21Å; W152-R156 HydrophobicContact CD2-CB 4.48Å; W152-R156 HydrophobicContact CE3-CB 4.43Å; W152-R156 HydrophobicContact CH2-CB 4.08Å; W152-R156 HydrophobicContact CH2-CG 4.23Å; W152-R156 HydrophobicContact CZ2-CB 4.11Å; W152-R156 HydrophobicContact CZ2-CG 4.15Å; W152-R156 HydrophobicContact CZ3-CB 4.24Å; W152-R156 WeakPolarHBondContact O-CB 3.47Å; W152-R156 PolarHBondContact O-N 2.88Å
153E91.4Very high87.2Confident63 Ų6366.9 Ų66.929%0.29431%0.31SS..Hα-helixtrans-62.4-45.4-179.2-69.8-71.5-18000110.3R125 R156 E157R125-E153 IonicContact NH1-OE1 3.54Å; E153-R156 PolarHBondContact O-N 2.89Å; E153-R156 IonicContact OE1-NH2 3.44Å; E153-R156 IonicContact OE2-CZ 3.53Å; E153-R156 IonicContact OE2-NE 3.77Å; E153-R156 PolarHBondContact OE2-NE 2.96Å; E153-R156 IonicContact OE2-NH2 3.98Å; E153-R156 PolarHBondContact OE2-NH2 2.84Å; E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 2.79Å
154E93.5Very high88.2Confident95 Ų9569 Ų6944%0.44432%0.321SS..Hα-helixtrans-64.3-44176.5-57.688.4155.700111.5Q151 W152 R156 E157 I158Q151-E154 WeakPolarHBondContact CA-OE2 3.33Å; Q151-E154 HydrophobicContact CB-CB 4.24Å; Q151-E154 HydrophobicContact CB-CG 4.39Å; Q151-E154 VanDerWaalsContact CB-OE2 3.27Å; Q151-E154 WeakPolarHBondContact CB-OE2 3.43Å; Q151-E154 PolarHBondContact O-N 3Å; W152-E154 VanDerWaalsContact C-N 3.34Å; W152-E154 PolarHBondContact O-N 3.47Å; E154-R156 VanDerWaalsContact C-N 3.29Å; E154-R156 PolarHBondContact O-N 3.39Å; E154-E157 PolarHBondContact O-N 2.78Å; E154-I158 VanDerWaalsContact O-CG1 3.27Å; E154-I158 WeakPolarHBondContact O-CG1 3.3Å; E154-I158 PolarHBondContact O-N 2.79Å
155T94.8Very high89.6Confident3 Ų364.2 Ų64.22%0.01831%0.309CS..Hα-helixtrans-60.7-40.1176.5-64.10000111.7C8 Y11 V12 L149 Q151 W152 A159C8-T155 HydrophobicContact CB-CG2 4.23Å; C8-T155 PolarHBondContact SG-OG1 3.05Å; Y11-T155 HydrophobicContact CD1-CG2 3.35Å; Y11-T155 HydrophobicContact CE1-CG2 4.12Å; Y11-T155 HydrophobicContact CG-CG2 3.94Å; V12-T155 HydrophobicContact CG2-CG2 4.13Å; L149-T155 HydrophobicContact CD2-CG2 4.01Å; Q151-T155 WeakPolarHBondContact O-CB 3.27Å; Q151-T155 PolarHBondContact O-N 2.94Å; Q151-T155 PolarHBondContact O-OG1 3.45Å; W152-T155 PolarHBondContact O-N 3.21Å; T155-A159 PolarHBondContact O-N 3.06Å; T155-A159 VanDerWaalsContact O-N 3.09Å
156R93.4Very high91.1Very high35 Ų3557.3 Ų57.313%0.13228%0.283CS..Hα-helixtrans-67.6-41.6176.6-174.2-176.366.9167.11.7111.4Y124 W152 E153 E154 A159 N160Y124-R156 PolarHBondContact O-NH1 2.85Å; W152-R156 HydrophobicContact CD2-CB 4.48Å; W152-R156 HydrophobicContact CE3-CB 4.43Å; W152-R156 HydrophobicContact CH2-CB 4.08Å; W152-R156 HydrophobicContact CH2-CG 4.23Å; W152-R156 HydrophobicContact CZ2-CB 4.11Å; W152-R156 HydrophobicContact CZ2-CG 4.15Å; W152-R156 HydrophobicContact CZ3-CB 4.24Å; W152-R156 WeakPolarHBondContact O-CB 3.47Å; W152-R156 PolarHBondContact O-N 2.88Å; E153-R156 PolarHBondContact O-N 2.89Å; E153-R156 IonicContact OE1-NH2 3.44Å; E153-R156 IonicContact OE2-CZ 3.53Å; E153-R156 IonicContact OE2-NE 3.77Å; E153-R156 PolarHBondContact OE2-NE 2.96Å; E153-R156 IonicContact OE2-NH2 3.98Å; E153-R156 PolarHBondContact OE2-NH2 2.84Å; E154-R156 VanDerWaalsContact C-N 3.29Å; E154-R156 PolarHBondContact O-N 3.39Å; R156-A159 PolarHBondContact O-N 3.24Å; R156-N160 PolarHBondContact O-N 2.98Å; R156-N160 PolarHBondContact O-ND2 3.26Å
157E94Very high92.4Very high121 Ų12157.6 Ų57.657%0.56528%0.284SS*.Hα-helixtrans-60.5-44.4175.5-75.5175.4-176.800111.7E153 E154 A159 N160 Q161E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 2.79Å; E154-E157 PolarHBondContact O-N 2.78Å; E157-A159 PolarHBondContact O-N 3.1Å; E157-N160 PolarHBondContact O-N 2.79Å; E157-Q161 WeakPolarHBondContact O-CB 3.35Å; E157-Q161 PolarHBondContact O-N 2.95Å
158I96Very high93.1Very high11 Ų1158.5 Ų58.56%0.05629%0.287CS..Hα-helixtrans-60.7-45.4175.9-66.6167.2000111.1V12 E154 N160 Q161 L162 I194 L197 A198V12-I158 HydrophobicContact CG2-CG2 4.22Å; E154-I158 VanDerWaalsContact O-CG1 3.27Å; E154-I158 WeakPolarHBondContact O-CG1 3.3Å; E154-I158 PolarHBondContact O-N 2.79Å; I158-N160 PolarHBondContact O-N 2.93Å; I158-Q161 PolarHBondContact O-N 2.64Å; I158-L162 HydrophobicContact CG2-CD1 4.03Å; I158-L162 WeakPolarHBondContact O-CG 3.4Å; I158-L162 PolarHBondContact O-N 2.77Å; I158-I194 HydrophobicContact CG2-CG2 4.4Å; I158-L197 HydrophobicContact CD1-CB 4.29Å; I158-L197 HydrophobicContact CG1-CB 3.98Å; I158-L197 HydrophobicContact CG2-CB 4.03Å; I158-L197 HydrophobicContact CG2-CD1 4.01Å; I158-A198 HydrophobicContact CD1-CB 3.82Å
159A95.4Very high93.5Very high1 Ų159.3 Ų59.31%0.00830%0.299CS..Hα-helixtrans-60-45.9177.700000111.8Y11 V12 Y15 T155 R156 E157 L162 L163Y11-A159 HydrophobicContact CE1-CB 4.37Å; V12-A159 HydrophobicContact CG2-CB 4.27Å; Y15-A159 HydrophobicContact CD1-CB 3.75Å; Y15-A159 HydrophobicContact CE1-CB 4.02Å; Y15-A159 HydrophobicContact CG-CB 4.48Å; T155-A159 PolarHBondContact O-N 3.06Å; T155-A159 VanDerWaalsContact O-N 3.09Å; R156-A159 PolarHBondContact O-N 3.24Å; E157-A159 PolarHBondContact O-N 3.1Å; A159-L162 PolarHBondContact O-N 3.06Å; A159-L163 PolarHBondContact O-N 3.32Å; A159-L163 VanDerWaalsContact O-N 3.08Å
160N94.4Very high94Very high32 Ų3260.5 Ų60.517%0.17131%0.305CS..Hα-helixtrans-65.1-42.6177.4-71.1-24.3000111.7R156 E157 I158 L162 L163 D164R156-N160 PolarHBondContact O-N 2.98Å; R156-N160 PolarHBondContact O-ND2 3.26Å; E157-N160 PolarHBondContact O-N 2.79Å; I158-N160 PolarHBondContact O-N 2.93Å; N160-L162 VanDerWaalsContact C-N 3.29Å; N160-L162 PolarHBondContact O-N 3.33Å; N160-L163 WeakPolarHBondContact O-CB 3.36Å; N160-L163 PolarHBondContact O-N 3.48Å; N160-D164 PolarHBondContact O-N 3.48Å
161Q95.6Very high94.7Very high99 Ų9952.9 Ų52.946%0.46328%0.276SS..Hα-helixtrans-59.4-40.1177.1-174.6-180400111.8E157 I158 L163 D164 S165E157-Q161 WeakPolarHBondContact O-CB 3.35Å; E157-Q161 PolarHBondContact O-N 2.95Å; I158-Q161 PolarHBondContact O-N 2.64Å; Q161-L163 VanDerWaalsContact C-N 3.35Å; Q161-D164 PolarHBondContact O-N 2.99Å; Q161-S165 VanDerWaalsContact O-CB 3.29Å; Q161-S165 WeakPolarHBondContact O-CB 3.08Å; Q161-S165 PolarHBondContact O-N 2.55Å; Q161-S165 PolarHBondContact O-OG 3.2Å
162L96.9Very high95.2Very high0 Ų047.1 Ų47.10%025%0.25CS..Hα-helixtrans-71-28.3176-68.9169.6000113V12 L16 I158 A159 N160 S165 D167 H168 L190 K193 I194 L197V12-L162 HydrophobicContact CG1-CD1 3.67Å; L16-L162 HydrophobicContact CD1-CB 4.19Å; L16-L162 HydrophobicContact CD1-CD1 4.03Å; L16-L162 HydrophobicContact CD2-CB 4.31Å; I158-L162 HydrophobicContact CG2-CD1 4.03Å; I158-L162 WeakPolarHBondContact O-CG 3.4Å; I158-L162 PolarHBondContact O-N 2.77Å; A159-L162 PolarHBondContact O-N 3.06Å; N160-L162 VanDerWaalsContact C-N 3.29Å; N160-L162 PolarHBondContact O-N 3.33Å; L162-S165 WeakPolarHBondContact CA-OG 3.38Å; L162-S165 PolarHBondContact O-OG 3.26Å; L162-D167 HydrophobicContact CB-CB 4.46Å; L162-D167 HydrophobicContact CD2-CB 3.64Å; L162-D167 PolarHBondContact O-N 3.48Å; L162-H168 PolarHBondContact O-N 3.32Å; L162-L190 HydrophobicContact CD1-CD1 4.36Å; L162-K193 HydrophobicContact CD2-CD 4.01Å; L162-K193 HydrophobicContact CD2-CG 4.14Å; L162-I194 HydrophobicContact CD1-CD1 4.41Å; L162-I194 HydrophobicContact CD1-CG1 3.67Å; L162-L197 HydrophobicContact CD1-CD1 4.47Å; L162-L197 HydrophobicContact CD2-CD1 3.91Å; L162-L197 HydrophobicContact CG-CD1 4.03Å
163L94.6Very high95.6Very high40 Ų4045.5 Ų45.521%0.20924%0.244CC..Hα-helixtrans-68.5-53.6169.3-73.4-178.7000111.1Y15 L16 C19 A159 N160 Q161 S165 G166 H168Y15-L163 HydrophobicContact CE1-CD1 3.49Å; Y15-L163 VanDerWaalsContact CE1-CD1 3.49Å; Y15-L163 HydrophobicContact CE1-CG 4.11Å; L16-L163 HydrophobicContact CD2-CD2 3.83Å; L16-L163 HydrophobicContact CD2-CG 4.07Å; C19-L163 HydrophobicContact CB-CD2 3.64Å; A159-L163 PolarHBondContact O-N 3.32Å; A159-L163 VanDerWaalsContact O-N 3.08Å; N160-L163 WeakPolarHBondContact O-CB 3.36Å; N160-L163 PolarHBondContact O-N 3.48Å; Q161-L163 VanDerWaalsContact C-N 3.35Å; L163-S165 VanDerWaalsContact C-N 3.3Å; L163-S165 PolarHBondContact O-N 2.73Å; L163-G166 PolarHBondContact O-N 3.04Å; L163-H168 HydrophobicContact CD2-CB 3.84Å; L163-H168 PolarHBondContact O-ND1 3.15Å
164D95.2Very high95.8Very high147 Ų14742.7 Ų42.779%0.78623%0.231SC*.Hα-helixtrans-63.1-35.5-174-69.6-19.5000112.7N160 Q161 G166N160-D164 PolarHBondContact O-N 3.48Å; Q161-D164 PolarHBondContact O-N 2.99Å; D164-G166 VanDerWaalsContact C-N 3.29Å; D164-G166 PolarHBondContact O-N 3.49Å
165S96.2Very high95.9Very high66 Ų6638.8 Ų38.846%0.46221%0.213SC..THydrogen-bonded Turntrans-77-10.8175.754.10000114.2Q161 L162 L163 D167Q161-S165 VanDerWaalsContact O-CB 3.29Å; Q161-S165 WeakPolarHBondContact O-CB 3.08Å; Q161-S165 PolarHBondContact O-N 2.55Å; Q161-S165 PolarHBondContact O-OG 3.2Å; L162-S165 WeakPolarHBondContact CA-OG 3.38Å; L162-S165 PolarHBondContact O-OG 3.26Å; L163-S165 VanDerWaalsContact C-N 3.3Å; L163-S165 PolarHBondContact O-N 2.73Å; S165-D167 VanDerWaalsContact CB-OD2 3.31Å; S165-D167 WeakPolarHBondContact CB-OD2 3.47Å; S165-D167 PolarHBondContact O-N 2.86Å; S165-D167 PolarHBondContact OG-OD2 2.71Å
166G96.3Very high96Very high26 Ų2639 Ų3927%0.26821%0.214SC..SBendtrans79.21.7-174.300000114.6L163 D164 H168 S169L163-G166 PolarHBondContact O-N 3.04Å; D164-G166 VanDerWaalsContact C-N 3.29Å; D164-G166 PolarHBondContact O-N 3.49Å; G166-H168 PolarHBondContact O-N 2.93Å; G166-S169 WeakPolarHBondContact O-CB 3.48Å; G166-S169 PolarHBondContact O-N 3.16Å; G166-S169 VanDerWaalsContact O-N 3.16Å; G166-S169 PolarHBondContact O-OG 3.01Å
167D96.8Very high96.2Very high32 Ų3238.8 Ų38.817%0.17122%0.215CC..G310 helixtrans-69.2-13.5-178.4-74.8-64.6000114.1L162 S165 S169 L170 K193L162-D167 HydrophobicContact CB-CB 4.46Å; L162-D167 HydrophobicContact CD2-CB 3.64Å; L162-D167 PolarHBondContact O-N 3.48Å; S165-D167 VanDerWaalsContact CB-OD2 3.31Å; S165-D167 WeakPolarHBondContact CB-OD2 3.47Å; S165-D167 PolarHBondContact O-N 2.86Å; S165-D167 PolarHBondContact OG-OD2 2.71Å; D167-S169 PolarHBondContact O-N 3.22Å; D167-S169 VanDerWaalsContact O-N 3.15Å; D167-L170 HydrophobicContact CB-CD1 4.12Å; D167-L170 WeakPolarHBondContact O-CB 3.34Å; D167-L170 WeakPolarHBondContact O-CG 3.19Å; D167-L170 PolarHBondContact O-N 3.5Å; D167-L170 WeakPolarHBondContact OD1-CD1 3.35Å; D167-K193 HydrophobicContact CB-CD 4.5Å; D167-K193 VanDerWaalsContact CG-CE 3.47Å; D167-K193 IonicContact OD1-NZ 3.31Å; D167-K193 PolarHBondContact OD1-NZ 2.81Å; D167-K193 WeakPolarHBondContact OD2-CE 3.36Å; D167-K193 IonicContact OD2-NZ 3.76Å; D167-K193 PolarHBondContact OD2-NZ 3.34Å
168H94.9Very high96.2Very high51 Ų5136.2 Ų36.224%0.23621%0.205CC..G310 helixtrans-55.1-26167.867-88.5000113.3L16 L162 L163 G166 L170 L171L16-H168 HydrophobicContact CD1-CB 4.49Å; L16-H168 HydrophobicContact CD2-CB 3.69Å; L16-H168 HydrophobicContact CG-CB 4.42Å; L162-H168 PolarHBondContact O-N 3.32Å; L163-H168 HydrophobicContact CD2-CB 3.84Å; L163-H168 PolarHBondContact O-ND1 3.15Å; G166-H168 PolarHBondContact O-N 2.93Å; H168-L170 PolarHBondContact O-N 2.9Å; H168-L171 WeakPolarHBondContact O-CB 3.24Å; H168-L171 PolarHBondContact O-N 3.5Å
169S95.4Very high96.1Very high75 Ų7542.3 Ų42.352%0.52424%0.238SC..G310 helixtrans-68.8-13.6173.564.90000114.3G166 D167 L171G166-S169 WeakPolarHBondContact O-CB 3.48Å; G166-S169 PolarHBondContact O-N 3.16Å; G166-S169 VanDerWaalsContact O-N 3.16Å; G166-S169 PolarHBondContact O-OG 3.01Å; D167-S169 PolarHBondContact O-N 3.22Å; D167-S169 VanDerWaalsContact O-N 3.15Å; S169-L171 PolarHBondContact O-N 3.48Å
170L97.1Very high96.2Very high46 Ų4645.6 Ų45.624%0.24126%0.255CS..G310 helixtrans-72.1-18.8172.4-63.2174.6000112.3D167 H168 V172 K189 K193D167-L170 HydrophobicContact CB-CD1 4.12Å; D167-L170 WeakPolarHBondContact O-CB 3.34Å; D167-L170 WeakPolarHBondContact O-CG 3.19Å; D167-L170 PolarHBondContact O-N 3.5Å; D167-L170 WeakPolarHBondContact OD1-CD1 3.35Å; H168-L170 PolarHBondContact O-N 2.9Å; L170-V172 PolarHBondContact O-N 2.9Å; L170-K189 HydrophobicContact CD2-CD 4.39Å; L170-K193 HydrophobicContact CD1-CD 4.37Å
171L98.5Very high96.3Very high0 Ų050.4 Ų50.40%028%0.279CS..  trans-67.1130.3179-172.7144.2000110.1K13 L16 H17 L20 P47 H168 S169 N187 L190K13-L171 HydrophobicContact CB-CD1 4.37Å; K13-L171 VanDerWaalsContact O-CD1 3.29Å; K13-L171 WeakPolarHBondContact O-CD1 3.43Å; L16-L171 HydrophobicContact CB-CD1 3.74Å; H17-L171 HydrophobicContact CB-CD1 4.21Å; H17-L171 HydrophobicContact CB-CD2 4.15Å; L20-L171 HydrophobicContact CD2-CB 4.49Å; L20-L171 HydrophobicContact CD2-CD2 4.05Å; P47-L171 HydrophobicContact CB-CD2 4.16Å; P47-L171 HydrophobicContact CG-CD1 4.1Å; P47-L171 HydrophobicContact CG-CD2 4.12Å; P47-L171 HydrophobicContact CG-CG 4.26Å; H168-L171 WeakPolarHBondContact O-CB 3.24Å; H168-L171 PolarHBondContact O-N 3.5Å; S169-L171 PolarHBondContact O-N 3.48Å; L171-N187 WeakPolarHBondContact CA-OD1 3.29Å; L171-L190 HydrophobicContact CB-CD2 3.87Å; L171-L190 HydrophobicContact CD1-CD2 4.1Å; L171-L190 HydrophobicContact CG-CD2 4.25Å
172V98.5Very high96.4Very high13 Ų1351.2 Ų51.28%0.07929%0.291CS..  trans-119.8119.7175179.40000107.4L170 H177 R183 N187L170-V172 PolarHBondContact O-N 2.9Å; V172-H177 HydrophobicContact CG1-CB 4.29Å; V172-R183 HydrophobicContact CG1-CB 3.67Å; V172-R183 HydrophobicContact CG2-CB 4.08Å; V172-N187 PolarHBondContact N-OD1 3.02Å; V172-N187 PolarHBondContact O-ND2 3.37Å
173D98Very high96.5Very high0 Ų055.3 Ų55.30%031%0.307CS..  trans-89.1168166.777.2-31.4000111.1H17 P47 H50 D175 S176 H177H17-D173 IonicContact NE2-OD2 2.62Å; H17-D173 PolarHBondContact NE2-OD2 3.27Å; P47-D173 HydrophobicContact CB-CB 3.65Å; P47-D173 WeakPolarHBondContact O-CA 3.21Å; H50-D173 IonicContact CE1-OD1 3.93Å; H50-D173 IonicContact CE1-OD2 3.18Å; H50-D173 IonicContact CG-OD2 3.91Å; H50-D173 PolarHBondContact N-OD2 3.49Å; H50-D173 VanDerWaalsContact ND1-CG 3.34Å; H50-D173 IonicContact ND1-OD1 3Å; H50-D173 PolarHBondContact ND1-OD1 2.87Å; H50-D173 IonicContact ND1-OD2 2.62Å; H50-D173 PolarHBondContact ND1-OD2 2.85Å; D173-D175 PolarHBondContact O-N 3.01Å; D173-D175 WeakPolarHBondContact OD2-CB 3.08Å; D173-S176 PolarHBondContact O-N 3.4Å; D173-S176 WeakPolarHBondContact OD1-CB 3.39Å; D173-S176 PolarHBondContact OD1-N 2.83Å; D173-S176 PolarHBondContact OD1-OG 3.42Å; D173-H177 PolarHBondContact O-N 2.79Å; D173-H177 VanDerWaalsContact O-N 3.09Å
174F97.2Very high96.7Very high4 Ų456.4 Ų56.42%0.01831%0.313CS..Hα-helixtrans-62.3-34.3-178.2-164.9-101.8000112.4P47 L48 L61 G62 Q65 H177 L178 W185P47-F174 PolarHBondContact O-N 3.37Å; L48-F174 HydrophobicContact CD1-CB 3.91Å; L48-F174 HydrophobicContact CD1-CD1 4.47Å; L48-F174 HydrophobicContact CD1-CG 4.18Å; L48-F174 HydrophobicContact CG-CB 4.32Å; L48-F174 CarbonylContact O-C 3.59Å; L48-F174 WeakPolarHBondContact O-CA 3.35Å; L48-F174 WeakPolarHBondContact O-CB 3.27Å; L48-F174 PolarHBondContact O-N 3Å; L61-F174 HydrophobicContact CD2-CE1 4.44Å; L61-F174 HydrophobicContact CG-CE1 4.22Å; L61-F174 HydrophobicContact CG-CZ 4.33Å; G62-F174 VanDerWaalsContact CA-CE1 3.44Å; Q65-F174 HydrophobicContact CB-CE2 3.98Å; Q65-F174 HydrophobicContact CB-CZ 4Å; Q65-F174 HydrophobicContact CG-CE2 3.86Å; Q65-F174 HydrophobicContact CG-CZ 4.23Å; F174-H177 WeakPolarHBondContact O-CB 3.49Å; F174-H177 PolarHBondContact O-N 3.13Å; F174-L178 HydrophobicContact CD1-CD1 4.12Å; F174-L178 HydrophobicContact CD1-CG 4.2Å; F174-L178 HydrophobicContact CE1-CD1 4.01Å; F174-L178 HydrophobicContact CE1-CD2 3.93Å; F174-L178 HydrophobicContact CE1-CG 4.04Å; F174-L178 HydrophobicContact CZ-CD2 4.25Å; F174-L178 WeakPolarHBondContact O-CG 3.32Å; F174-L178 PolarHBondContact O-N 3.17Å; F174-W185 HydrophobicContact CD2-CB 4.37Å; F174-W185 HydrophobicContact CD2-CD2 4.16Å; F174-W185 AromaticContact CD2-CG 3.93Å; F174-W185 HydrophobicContact CD2-CG 3.93Å; F174-W185 HydrophobicContact CE2-CG 4.5Å
175D94.8Very high96.8Very high12 Ų1250.2 Ų50.26%0.06428%0.278CS..Hα-helixtrans-60.7-49.6175.3-148.513.3000111.4L48 L49 H50 S51 D173 H177 L178 D179L48-D175 PolarHBondContact O-N 3.25Å; L49-D175 HydrophobicContact CD2-CB 4.19Å; H50-D175 IonicContact CE1-OD2 2.77Å; H50-D175 IonicContact CG-OD2 3.75Å; H50-D175 IonicContact ND1-OD2 3.21Å; H50-D175 IonicContact NE2-OD2 2.55Å; S51-D175 WeakPolarHBondContact CB-OD2 3.36Å; S51-D175 PolarHBondContact N-OD2 3Å; S51-D175 PolarHBondContact OG-OD2 3.5Å; D173-D175 PolarHBondContact O-N 3.01Å; D173-D175 WeakPolarHBondContact OD2-CB 3.08Å; D175-H177 PolarHBondContact O-N 3.28Å; D175-L178 WeakPolarHBondContact O-CB 3.44Å; D175-L178 PolarHBondContact O-N 3.21Å; D175-D179 PolarHBondContact O-N 3.04Å
176S96.3Very high96.9Very high7 Ų747.7 Ų47.75%0.04926%0.26CS..Hα-helixtrans-60.8-29.8174.3-65.30000113.6D173 D180D173-S176 PolarHBondContact O-N 3.4Å; D173-S176 WeakPolarHBondContact OD1-CB 3.39Å; D173-S176 PolarHBondContact OD1-N 2.83Å; D173-S176 PolarHBondContact OD1-OG 3.42Å; S176-D180 PolarHBondContact O-N 3.29Å
177H97.3Very high97Very high32 Ų3246.7 Ų46.715%0.14825%0.249CC..Hα-helixtrans-73.2-31.6174.3170.479.4000112.5V172 D173 F174 D175 D179 D180 I181 R183 W185V172-H177 HydrophobicContact CG1-CB 4.29Å; D173-H177 PolarHBondContact O-N 2.79Å; D173-H177 VanDerWaalsContact O-N 3.09Å; F174-H177 WeakPolarHBondContact O-CB 3.49Å; F174-H177 PolarHBondContact O-N 3.13Å; D175-H177 PolarHBondContact O-N 3.28Å; H177-D179 VanDerWaalsContact C-N 3.28Å; H177-D179 PolarHBondContact O-N 3.4Å; H177-D180 CarbonylContact O-C 3.6Å; H177-D180 PolarHBondContact O-N 2.91Å; H177-D180 VanDerWaalsContact O-O 3.08Å; H177-I181 PolarHBondContact CE1-O 2.99Å; H177-I181 VanDerWaalsContact O-CA 3.27Å; H177-I181 WeakPolarHBondContact O-CA 3.47Å; H177-I181 PolarHBondContact O-N 3.08Å; H177-R183 PolarHBondContact ND1-O 2.89Å; H177-W185 HydrophobicContact CB-CB 4.15Å; H177-W185 AromaticContact CD2-CD1 3.55Å; H177-W185 AromaticContact CE1-CD1 3.78Å; H177-W185 AromaticContact CG-CD1 3.53Å; H177-W185 AromaticContact ND1-CD1 3.69Å; H177-W185 AromaticContact NE2-CD1 3.69Å; H177-W185 AromaticContact NE2-NE1 3.92Å
178L95Very high97Very high67 Ų6749.9 Ų49.935%0.35126%0.262SS..Hα-helixtrans-68.5-31.8175.1-67.3177.1000111.8I58 L61 F174 D175I58-L178 HydrophobicContact CG2-CD1 3.73Å; L61-L178 HydrophobicContact CD2-CD2 4.07Å; F174-L178 HydrophobicContact CD1-CD1 4.12Å; F174-L178 HydrophobicContact CD1-CG 4.2Å; F174-L178 HydrophobicContact CE1-CD1 4.01Å; F174-L178 HydrophobicContact CE1-CD2 3.93Å; F174-L178 HydrophobicContact CE1-CG 4.04Å; F174-L178 HydrophobicContact CZ-CD2 4.25Å; F174-L178 WeakPolarHBondContact O-CG 3.32Å; F174-L178 PolarHBondContact O-N 3.17Å; D175-L178 WeakPolarHBondContact O-CB 3.44Å; D175-L178 PolarHBondContact O-N 3.21Å
179D94.6Very high97.1Very high139 Ų13954.8 Ų54.874%0.74328%0.283SS*.Hα-helixtrans-69.2-37.3172.1-71.9-26.4000112.4D175 H177D175-D179 PolarHBondContact O-N 3.04Å; H177-D179 VanDerWaalsContact C-N 3.28Å; H177-D179 PolarHBondContact O-N 3.4Å
180D97.3Very high97.2Very high69 Ų6951.3 Ų51.337%0.36926%0.259SS..  trans-143.3101.2175.8179.1-0.8000111.2S176 H177 T182 R183S176-D180 PolarHBondContact O-N 3.29Å; H177-D180 CarbonylContact O-C 3.6Å; H177-D180 PolarHBondContact O-N 2.91Å; H177-D180 VanDerWaalsContact O-O 3.08Å; D180-T182 VanDerWaalsContact CG-OG1 3.27Å; D180-T182 PolarHBondContact O-N 2.89Å; D180-T182 WeakPolarHBondContact OD1-CB 3.43Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.48Å; D180-T182 PolarHBondContact OD1-N 3.23Å; D180-T182 PolarHBondContact OD1-OG1 2.62Å; D180-T182 PolarHBondContact OD2-OG1 3.25Å; D180-R183 HydrophobicContact CB-CG 3.96Å; D180-R183 WeakPolarHBondContact O-CB 3.39Å; D180-R183 PolarHBondContact O-N 2.91Å
181I96.9Very high97.3Very high133 Ų13349.9 Ų49.968%0.68225%0.251SS*.THydrogen-bonded Turntrans-64.2-10.1-175.763.8168000113.8H177 R183H177-I181 PolarHBondContact CE1-O 2.99Å; H177-I181 VanDerWaalsContact O-CA 3.27Å; H177-I181 WeakPolarHBondContact O-CA 3.47Å; H177-I181 PolarHBondContact O-N 3.08Å; I181-R183 VanDerWaalsContact C-N 3.3Å
182T97.6Very high97.2Very high116 Ų11652.9 Ų52.971%0.71228%0.276SS*.THydrogen-bonded Turntrans-79.6-14.9174.5730000112.7D180D180-T182 VanDerWaalsContact CG-OG1 3.27Å; D180-T182 PolarHBondContact O-N 2.89Å; D180-T182 WeakPolarHBondContact OD1-CB 3.43Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.48Å; D180-T182 PolarHBondContact OD1-N 3.23Å; D180-T182 PolarHBondContact OD1-OG1 2.62Å; D180-T182 PolarHBondContact OD2-OG1 3.25Å
183R98.1Very high97.2Very high86 Ų8655.2 Ų55.233%0.32529%0.285SS..SBendtrans-80.7127.2179.5-60.8-179.767.1-174.8-2.7110.8V172 H177 D180 I181 W185V172-R183 HydrophobicContact CG1-CB 3.67Å; V172-R183 HydrophobicContact CG2-CB 4.08Å; H177-R183 PolarHBondContact ND1-O 2.89Å; D180-R183 HydrophobicContact CB-CG 3.96Å; D180-R183 WeakPolarHBondContact O-CB 3.39Å; D180-R183 PolarHBondContact O-N 2.91Å; I181-R183 VanDerWaalsContact C-N 3.3Å; R183-W185 PolarHBondContact O-N 3.46Å
184D98Very high97.2Very high64 Ų6455.4 Ų55.434%0.34229%0.286SS..  trans-82.5102.1-175.1172.429.3000112.9T186 N187 Q188D184-T186 VanDerWaalsContact CG-OG1 3.25Å; D184-T186 PolarHBondContact O-N 3.5Å; D184-T186 WeakPolarHBondContact OD1-CA 3.46Å; D184-T186 VanDerWaalsContact OD1-CB 3.28Å; D184-T186 WeakPolarHBondContact OD1-CB 3.38Å; D184-T186 PolarHBondContact OD1-N 3.03Å; D184-T186 PolarHBondContact OD1-OG1 2.64Å; D184-T186 PolarHBondContact OD2-OG1 3.03Å; D184-T186 VanDerWaalsContact OD2-OG1 3.13Å; D184-N187 PolarHBondContact O-N 3.31Å; D184-N187 VanDerWaalsContact O-N 3.1Å; D184-N187 PolarHBondContact OD2-N 2.99Å; D184-Q188 PolarHBondContact OD2-N 3.35Å
185W98Very high97.1Very high17 Ų1757.8 Ų57.86%0.06431%0.307CS..THydrogen-bonded Turntrans-68-14.4174.960.7-95.9000114.1V46 Q65 V66 W69 F174 H177 R183 N187V46-W185 HydrophobicContact CG1-CE3 3.61Å; V46-W185 HydrophobicContact CG1-CZ3 3.95Å; V46-W185 HydrophobicContact CG2-CE3 4.18Å; V46-W185 HydrophobicContact CG2-CZ3 3.86Å; Q65-W185 HydrophobicContact CG-CZ2 3.84Å; V66-W185 HydrophobicContact CG2-CE3 4.34Å; V66-W185 HydrophobicContact CG2-CH2 4.05Å; V66-W185 HydrophobicContact CG2-CZ3 3.74Å; W69-W185 HydrophobicContact CB-CH2 3.69Å; W69-W185 HydrophobicContact CB-CZ2 4.27Å; W69-W185 AromaticContact CD2-CH2 3.9Å; W69-W185 HydrophobicContact CD2-CH2 3.9Å; W69-W185 HydrophobicContact CD2-CZ3 4.32Å; W69-W185 HydrophobicContact CE3-CH2 4.15Å; W69-W185 HydrophobicContact CE3-CZ3 4.23Å; W69-W185 AromaticContact CG-CH2 3.7Å; W69-W185 HydrophobicContact CG-CH2 3.7Å; W69-W185 HydrophobicContact CG-CZ2 4.36Å; F174-W185 HydrophobicContact CD2-CB 4.37Å; F174-W185 HydrophobicContact CD2-CD2 4.16Å; F174-W185 AromaticContact CD2-CG 3.93Å; F174-W185 HydrophobicContact CD2-CG 3.93Å; F174-W185 HydrophobicContact CE2-CG 4.5Å; H177-W185 HydrophobicContact CB-CB 4.15Å; H177-W185 AromaticContact CD2-CD1 3.55Å; H177-W185 AromaticContact CE1-CD1 3.78Å; H177-W185 AromaticContact CG-CD1 3.53Å; H177-W185 AromaticContact ND1-CD1 3.69Å; H177-W185 AromaticContact NE2-CD1 3.69Å; H177-W185 AromaticContact NE2-NE1 3.92Å; R183-W185 PolarHBondContact O-N 3.46Å; W185-N187 PolarHBondContact O-N 3.49Å; W185-N187 PolarHBondContact O-ND2 3.34Å
186T97.5Very high97.1Very high13 Ų1364.2 Ų64.28%0.0834%0.336CS..THydrogen-bonded Turntrans-78.2-12.6172.878.90000112.1W69 D184 Q188 N191W69-T186 HydrophobicContact CD2-CG2 4.24Å; W69-T186 HydrophobicContact CZ2-CG2 3.91Å; D184-T186 VanDerWaalsContact CG-OG1 3.25Å; D184-T186 PolarHBondContact O-N 3.5Å; D184-T186 WeakPolarHBondContact OD1-CA 3.46Å; D184-T186 VanDerWaalsContact OD1-CB 3.28Å; D184-T186 WeakPolarHBondContact OD1-CB 3.38Å; D184-T186 PolarHBondContact OD1-N 3.03Å; D184-T186 PolarHBondContact OD1-OG1 2.64Å; D184-T186 PolarHBondContact OD2-OG1 3.03Å; D184-T186 VanDerWaalsContact OD2-OG1 3.13Å; T186-Q188 PolarHBondContact O-N 3.35Å; T186-Q188 WeakPolarHBondContact OG1-CG 3.31Å; T186-Q188 PolarHBondContact OG1-NE2 3.3Å; T186-N191 PolarHBondContact O-ND2 3.09Å
187N98.4Very high97.1Very high5 Ų566.4 Ų66.43%0.02735%0.347CS..  trans60.335.4172-71.7-81.9000114.2K13 L171 V172 D184 W185 K189 L190 N191K13-N187 HydrophobicContact CD-CB 4.08Å; L171-N187 WeakPolarHBondContact CA-OD1 3.29Å; V172-N187 PolarHBondContact N-OD1 3.02Å; V172-N187 PolarHBondContact O-ND2 3.37Å; D184-N187 PolarHBondContact O-N 3.31Å; D184-N187 VanDerWaalsContact O-N 3.1Å; D184-N187 PolarHBondContact OD2-N 2.99Å; W185-N187 PolarHBondContact O-N 3.49Å; W185-N187 PolarHBondContact O-ND2 3.34Å; N187-K189 VanDerWaalsContact C-N 3.26Å; N187-K189 PolarHBondContact O-N 2.98Å; N187-K189 VanDerWaalsContact O-N 3.15Å; N187-L190 HydrophobicContact CB-CB 4.24Å; N187-L190 PolarHBondContact O-N 3.08Å; N187-N191 PolarHBondContact O-N 3.07Å; N187-N191 PolarHBondContact O-ND2 2.95Å; N187-N191 PolarHBondContact O-OD1 3.23Å; N187-N191 VanDerWaalsContact O-OD1 3.14Å
188Q97.4Very high96.8Very high98 Ų9867.1 Ų67.146%0.45836%0.359SS..Hα-helixtrans-56.2-39-173.6-63.7-52.1-4300113.4D184 T186 N191 A192D184-Q188 PolarHBondContact OD2-N 3.35Å; T186-Q188 PolarHBondContact O-N 3.35Å; T186-Q188 WeakPolarHBondContact OG1-CG 3.31Å; T186-Q188 PolarHBondContact OG1-NE2 3.3Å; Q188-N191 PolarHBondContact O-N 2.83Å; Q188-A192 PolarHBondContact O-N 3.48Å
189K97.6Very high96.4Very high155 Ų15567.4 Ų67.467%0.67437%0.366SS*.Hα-helixtrans-63.2-43.8177.3-175.4-179.6176.3-174.60112.1L170 N187 K193L170-K189 HydrophobicContact CD2-CD 4.39Å; N187-K189 VanDerWaalsContact C-N 3.26Å; N187-K189 PolarHBondContact O-N 2.98Å; N187-K189 VanDerWaalsContact O-N 3.15Å; K189-K193 PolarHBondContact O-N 2.87Å
190L98.2Very high95.1Very high1 Ų166.2 Ų66.21%0.00537%0.366CS..Hα-helixtrans-69-40.4177177.261.7000110.8K13 L16 L162 L171 N187 A192 K193 I194K13-L190 HydrophobicContact CD-CD2 4.49Å; K13-L190 HydrophobicContact CG-CD2 4.12Å; L16-L190 HydrophobicContact CD1-CD1 4.19Å; L16-L190 HydrophobicContact CD1-CD2 4.23Å; L162-L190 HydrophobicContact CD1-CD1 4.36Å; L171-L190 HydrophobicContact CB-CD2 3.87Å; L171-L190 HydrophobicContact CD1-CD2 4.1Å; L171-L190 HydrophobicContact CG-CD2 4.25Å; N187-L190 HydrophobicContact CB-CB 4.24Å; N187-L190 PolarHBondContact O-N 3.08Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 2.92Å; L190-K193 PolarHBondContact O-N 3.33Å; L190-I194 HydrophobicContact CD1-CD1 4.03Å; L190-I194 HydrophobicContact CD1-CG1 4.21Å; L190-I194 HydrophobicContact CD2-CD1 4.49Å; L190-I194 HydrophobicContact CG-CD1 3.81Å; L190-I194 HydrophobicContact CG-CG1 4.43Å; L190-I194 WeakPolarHBondContact O-CG1 3.39Å; L190-I194 PolarHBondContact O-N 3.47Å
191N97.8Very high93.1Very high16 Ų1667.4 Ų67.49%0.08639%0.386CS..Hα-helixtrans-58.3-45.8176.7-58.7-15.1000111.2L9 K13 T186 N187 Q188 K193 I194 A195L9-N191 HydrophobicContact CD1-CB 3.99Å; L9-N191 HydrophobicContact CD2-CB 4.41Å; K13-N191 WeakPolarHBondContact CD-OD1 3.34Å; K13-N191 WeakPolarHBondContact CE-OD1 3.27Å; K13-N191 PolarHBondContact NZ-OD1 3.37Å; T186-N191 PolarHBondContact O-ND2 3.09Å; N187-N191 PolarHBondContact O-N 3.07Å; N187-N191 PolarHBondContact O-ND2 2.95Å; N187-N191 PolarHBondContact O-OD1 3.23Å; N187-N191 VanDerWaalsContact O-OD1 3.14Å; Q188-N191 PolarHBondContact O-N 2.83Å; N191-K193 VanDerWaalsContact C-N 3.33Å; N191-K193 PolarHBondContact O-N 3.48Å; N191-I194 PolarHBondContact O-N 3.33Å; N191-A195 WeakPolarHBondContact O-CB 3.48Å; N191-A195 PolarHBondContact O-N 3.24Å
192A97.6Very high90.8Very high63 Ų6369.4 Ų69.452%0.52140%0.398SS..Hα-helixtrans-61-41.7177.100000112.1Q188 L190 A195 E196Q188-A192 PolarHBondContact O-N 3.48Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 2.92Å; A192-A195 PolarHBondContact O-N 3.37Å; A192-E196 PolarHBondContact O-N 3.28Å
193K97.5Very high88.1Confident63 Ų6366.6 Ų66.627%0.27439%0.392SS..Hα-helixtrans-66.5-42.8178-171.5164.7-175.61540112.6L162 D167 L170 K189 L190 N191 A195 E196 L197L162-K193 HydrophobicContact CD2-CD 4.01Å; L162-K193 HydrophobicContact CD2-CG 4.14Å; D167-K193 HydrophobicContact CB-CD 4.5Å; D167-K193 VanDerWaalsContact CG-CE 3.47Å; D167-K193 IonicContact OD1-NZ 3.31Å; D167-K193 PolarHBondContact OD1-NZ 2.81Å; D167-K193 WeakPolarHBondContact OD2-CE 3.36Å; D167-K193 IonicContact OD2-NZ 3.76Å; D167-K193 PolarHBondContact OD2-NZ 3.34Å; L170-K193 HydrophobicContact CD1-CD 4.37Å; K189-K193 PolarHBondContact O-N 2.87Å; L190-K193 PolarHBondContact O-N 3.33Å; N191-K193 VanDerWaalsContact C-N 3.33Å; N191-K193 PolarHBondContact O-N 3.48Å; K193-A195 VanDerWaalsContact C-N 3.3Å; K193-A195 PolarHBondContact O-N 3.01Å; K193-E196 PolarHBondContact O-N 3.3Å; K193-L197 WeakPolarHBondContact O-CG 3.41Å; K193-L197 PolarHBondContact O-N 2.62Å
194I97.3Very high85Confident3 Ų370.5 Ų70.52%0.01542%0.419CS..Hα-helixtrans-61.9-42.3174.3-66.7163.9000110.2L9 V12 K13 I158 L162 L190 N191 E196 L197 A198L9-I194 HydrophobicContact CD1-CB 4.08Å; L9-I194 HydrophobicContact CD1-CD1 3.68Å; L9-I194 HydrophobicContact CD1-CG1 4.49Å; L9-I194 HydrophobicContact CD1-CG2 4.1Å; V12-I194 HydrophobicContact CB-CD1 3.96Å; V12-I194 HydrophobicContact CB-CG1 4.48Å; V12-I194 HydrophobicContact CG1-CD1 3.54Å; V12-I194 HydrophobicContact CG1-CG1 3.89Å; K13-I194 HydrophobicContact CG-CD1 4.2Å; I158-I194 HydrophobicContact CG2-CG2 4.4Å; L162-I194 HydrophobicContact CD1-CD1 4.41Å; L162-I194 HydrophobicContact CD1-CG1 3.67Å; L190-I194 HydrophobicContact CD1-CD1 4.03Å; L190-I194 HydrophobicContact CD1-CG1 4.21Å; L190-I194 HydrophobicContact CD2-CD1 4.49Å; L190-I194 HydrophobicContact CG-CD1 3.81Å; L190-I194 HydrophobicContact CG-CG1 4.43Å; L190-I194 WeakPolarHBondContact O-CG1 3.39Å; L190-I194 PolarHBondContact O-N 3.47Å; N191-I194 PolarHBondContact O-N 3.33Å; I194-E196 VanDerWaalsContact C-N 3.35Å; I194-E196 PolarHBondContact O-N 3.34Å; I194-L197 PolarHBondContact O-N 3Å; I194-A198 VanDerWaalsContact O-CB 3.24Å; I194-A198 WeakPolarHBondContact O-CB 3.33Å; I194-A198 PolarHBondContact O-N 3.38Å
195A95.9Very high82Confident55 Ų5577.9 Ų77.946%0.45547%0.466SS..Hα-helixtrans-64.6-37.4177.900000112.8N191 A192 K193 A198 S199N191-A195 WeakPolarHBondContact O-CB 3.48Å; N191-A195 PolarHBondContact O-N 3.24Å; A192-A195 PolarHBondContact O-N 3.37Å; K193-A195 VanDerWaalsContact C-N 3.3Å; K193-A195 PolarHBondContact O-N 3.01Å; A195-A198 PolarHBondContact O-N 3.19Å; A195-S199 PolarHBondContact O-N 3.5Å; A195-S199 PolarHBondContact O-OG 3.31Å
196E95.8Very high81.2Confident147 Ų14781 Ų8169%0.68749%0.487SS*.Hα-helixtrans-62.7-47173.6-175-178.9-178.200111.2A192 K193 I194 A198 S199A192-E196 PolarHBondContact O-N 3.28Å; K193-E196 PolarHBondContact O-N 3.3Å; I194-E196 VanDerWaalsContact C-N 3.35Å; I194-E196 PolarHBondContact O-N 3.34Å; E196-A198 VanDerWaalsContact C-N 3.34Å; E196-A198 PolarHBondContact O-N 2.87Å; E196-S199 WeakPolarHBondContact O-CB 3.41Å; E196-S199 PolarHBondContact O-N 3.41Å
197L95.1Very high80.4Confident52 Ų5284.5 Ų84.527%0.27251%0.508SS..Hα-helixtrans-69-31.5178.4-64.9175.8000113.1I158 L162 K193 I194 S199I158-L197 HydrophobicContact CD1-CB 4.29Å; I158-L197 HydrophobicContact CG1-CB 3.98Å; I158-L197 HydrophobicContact CG2-CB 4.03Å; I158-L197 HydrophobicContact CG2-CD1 4.01Å; L162-L197 HydrophobicContact CD1-CD1 4.47Å; L162-L197 HydrophobicContact CD2-CD1 3.91Å; L162-L197 HydrophobicContact CG-CD1 4.03Å; K193-L197 WeakPolarHBondContact O-CG 3.41Å; K193-L197 PolarHBondContact O-N 2.62Å; I194-L197 PolarHBondContact O-N 3Å; L197-S199 VanDerWaalsContact C-N 3.31Å
198A91.6Very high79.4Confident48 Ų4888.9 Ų88.940%0.39754%0.535SS..Hα-helixtrans-79.3-13.6176.300000113.2I158 I194 A195 E196I158-A198 HydrophobicContact CD1-CB 3.82Å; I194-A198 VanDerWaalsContact O-CB 3.24Å; I194-A198 WeakPolarHBondContact O-CB 3.33Å; I194-A198 PolarHBondContact O-N 3.38Å; A195-A198 PolarHBondContact O-N 3.19Å; E196-A198 VanDerWaalsContact C-N 3.34Å; E196-A198 PolarHBondContact O-N 2.87Å
199S85.9Confident78.3Confident72 Ų7288.4 Ų88.450%0.50354%0.539SS..SBendtrans-75131.4176.9-65.90000109.3A195 E196 L197 A201A195-S199 PolarHBondContact O-N 3.5Å; A195-S199 PolarHBondContact O-OG 3.31Å; E196-S199 WeakPolarHBondContact O-CB 3.41Å; E196-S199 PolarHBondContact O-N 3.41Å; L197-S199 VanDerWaalsContact C-N 3.31Å; S199-A201 PolarHBondContact O-N 3.02Å
200P67.3Low77.1Confident115 Ų11584.3 Ų84.375%0.74753%0.531SS*.  trans-57.4129.1174.822.2-30000108.6N202P200-N202 PolarHBondContact O-N 3.39Å
201A56.1Low75.7Confident94 Ų9489.8 Ų89.878%0.77757%0.566SS**  trans-53.9115.2175.200000108.5S199 G203S199-A201 PolarHBondContact O-N 3.02Å; A201-G203 PolarHBondContact O-N 3.09Å
202N48.4Very low74.1Confident174 Ų17495.1 Ų95.193%0.9360%0.6SS**  trans-63.699.8168.5-86.8-22.6000108.3P200P200-N202 PolarHBondContact O-N 3.39Å
203G39.8Very low72.3Confident58 Ų5897.5 Ų97.560%0.59861%0.606SS**  trans164.7114.816900000110.2A201A201-G203 PolarHBondContact O-N 3.09Å
204N33.3Very low70.2Confident167 Ų167100.4 Ų100.489%0.89363%0.634SS**  cis-143.7138.132.9-69.8-32000111.6
205V36Very low67.7Low220 Ų220109.3 Ų109.3100%1.33369%0.69SS**  trans-95.60144.3175.90000107

Retrieved 205 of 205 residues in 1670.3 ms (Link to these results)

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