A0A087X7V5_POEFO Loading...

ER membrane protein complex subunit 9

AlphaFold DB , UniProt , Accession A0A087X7V5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M54.8Low87.1Confident168 Ų16846.1 Ų46.183%0.82824%0.237SC*.  0126.70-169.9172.2-87.100106.6E133 R135M1-E133 VanDerWaalsContact SD-CD 3.52Å; M1-E133 VanDerWaalsContact SD-OE2 3.38Å; M1-R135 HydrophobicContact CE-CG 3.75Å; M1-R135 HydrophobicContact SD-CG 4.47Å; M1-R135 PolarHBondContact SD-NE 3.21Å; M1-R135 PolarHBondContact SD-NH2 2.74Å
2G68Low87.9Confident23 Ų2342.3 Ų42.324%0.23722%0.217CC..  trans-77.2149-162.100000115.4G38 K142G2-G38 WeakPolarHBondContact CA-O 3.44Å; G2-K142 PolarHBondContact O-NZ 3.38Å
3E82.4Confident88.7Confident114 Ų11439.1 Ų39.153%0.53320%0.201SC..  trans-60.8150.1157.7-67.6171.817300109.5A39 V40 M148E3-A39 HydrophobicContact CB-CB 4.4Å; E3-A39 CarbonylContact O-C 3.46Å; E3-A39 VanDerWaalsContact O-CA 3.24Å; E3-A39 WeakPolarHBondContact O-CA 3Å; E3-A39 WeakPolarHBondContact O-CB 3.41Å; E3-V40 PolarHBondContact O-N 3.25Å; E3-M148 HydrophobicContact CB-SD 4.26Å; E3-M148 HydrophobicContact CG-SD 4.43Å
4V87.9Confident89.4Confident2 Ų236.3 Ų36.31%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-117.4120.1175.9-177.60000107.8V40 V42 V111 M131 K142 T146 M148V4-V40 WeakPolarHBondContact CA-O 3.49Å; V4-V40 HydrophobicContact CG1-CB 4.38Å; V4-V40 HydrophobicContact CG2-CB 4.29Å; V4-V42 HydrophobicContact CG1-CG2 4.48Å; V4-V111 HydrophobicContact CG1-CG1 4.29Å; V4-V111 HydrophobicContact CG2-CG1 3.87Å; V4-M131 HydrophobicContact CB-CE 3.63Å; V4-M131 HydrophobicContact CB-SD 3.82Å; V4-M131 HydrophobicContact CG1-CE 3.44Å; V4-M131 VanDerWaalsContact CG1-CE 3.44Å; V4-M131 HydrophobicContact CG1-SD 4.08Å; V4-M131 HydrophobicContact CG2-CE 4.16Å; V4-M131 HydrophobicContact CG2-SD 3.67Å; V4-K142 HydrophobicContact CG2-CD 4.44Å; V4-T146 PolarHBondContact N-O 3.17Å; V4-M148 PolarHBondContact O-N 2.99Å
5E91.9Very high89.8Confident53 Ų5334.9 Ų34.925%0.24818%0.178CC..EExtended strand (participates in β ladder)trans-104.1125.3178.7-174.8171.6165.700109.5V40 C41 V42 M148 R150E5-V40 PolarHBondContact N-O 3.08Å; E5-C41 CarbonylContact O-C 3.55Å; E5-V42 PolarHBondContact O-N 2.67Å; E5-M148 WeakPolarHBondContact CA-O 3.48Å; E5-M148 HydrophobicContact CB-CB 4.49Å; E5-R150 VanDerWaalsContact CD-NE 3.34Å; E5-R150 WeakPolarHBondContact OE1-CD 3.26Å; E5-R150 IonicContact OE1-CZ 2.69Å; E5-R150 VanDerWaalsContact OE1-CZ 3.29Å; E5-R150 IonicContact OE1-NE 2.67Å; E5-R150 PolarHBondContact OE1-NE 2.95Å; E5-R150 IonicContact OE1-NH2 2.75Å; E5-R150 PolarHBondContact OE1-NH2 3.28Å; E5-R150 IonicContact OE2-CZ 3.55Å; E5-R150 IonicContact OE2-NE 3.97Å; E5-R150 PolarHBondContact OE2-NE 3.39Å; E5-R150 IonicContact OE2-NH2 3.64Å; E5-R150 PolarHBondContact OE2-NH2 2.91Å
6L92.7Very high90.3Very high5 Ų532.7 Ų32.73%0.02617%0.167CC..EExtended strand (participates in β ladder)trans-111.6122.9177.9179.469.9000109.8A10 Y11 M14 V42 I129 M148 L149L6-A10 HydrophobicContact CD1-CB 3.5Å; L6-A10 VanDerWaalsContact CD1-CB 3.5Å; L6-A10 HydrophobicContact CG-CB 4.42Å; L6-Y11 HydrophobicContact CD2-CD2 4.46Å; L6-M14 HydrophobicContact CD1-CE 3.97Å; L6-M14 HydrophobicContact CD2-CE 3.59Å; L6-M14 HydrophobicContact CG-CE 4.39Å; L6-V42 HydrophobicContact CD1-CB 3.63Å; L6-V42 HydrophobicContact CD1-CG1 3.45Å; L6-V42 VanDerWaalsContact CD1-CG1 3.45Å; L6-V42 HydrophobicContact CD1-CG2 4.46Å; L6-I129 HydrophobicContact CD2-CD1 3.36Å; L6-M148 PolarHBondContact N-O 3.32Å; L6-L149 HydrophobicContact CB-CD1 4.33Å; L6-L149 HydrophobicContact CB-CD2 4.2Å; L6-L149 HydrophobicContact CB-CG 3.98Å; L6-L149 HydrophobicContact CD2-CD1 4.04Å; L6-L149 HydrophobicContact CD2-CD2 3.98Å; L6-L149 HydrophobicContact CD2-CG 4.25Å; L6-L149 HydrophobicContact CG-CD2 4.12Å; L6-L149 HydrophobicContact CG-CG 4.4Å
7S94.8Very high90.7Very high34 Ų3430.8 Ų30.824%0.23816%0.157CC..  trans-71.9154.3178.363.90000113R9 A10 Y11 V42 T43S7-R9 VanDerWaalsContact C-N 3.32Å; S7-R9 PolarHBondContact O-N 2.73Å; S7-A10 PolarHBondContact O-N 3.03Å; S7-A10 WeakPolarHBondContact OG-CB 3.37Å; S7-A10 PolarHBondContact OG-N 3.26Å; S7-Y11 PolarHBondContact O-N 3.48Å; S7-V42 WeakPolarHBondContact CB-O 3.43Å; S7-V42 PolarHBondContact N-O 3.49Å; S7-V42 PolarHBondContact OG-O 2.95Å; S7-T43 WeakPolarHBondContact OG-CA 2.78Å; S7-T43 PolarHBondContact OG-O 2.92Å
8C95.4Very high91Very high25 Ų2529.8 Ų29.817%0.16915%0.154CC..Hα-helixtrans-52.4-48.4172.8173.30000111.7A10 Y11 V12 T155C8-A10 PolarHBondContact O-N 3.5Å; C8-Y11 PolarHBondContact O-N 3.14Å; C8-V12 WeakPolarHBondContact O-CB 3.4Å; C8-V12 VanDerWaalsContact O-CG2 3.26Å; C8-V12 WeakPolarHBondContact O-CG2 3.34Å; C8-V12 PolarHBondContact O-N 2.9Å; C8-T155 HydrophobicContact CB-CG2 4.13Å
9R96.8Very high91.2Very high79 Ų7930.2 Ų30.230%0.29816%0.158SC..Hα-helixtrans-55.4-49.2177.8174.6177.353.2-175.1-6.5113.3S7 Y11 V12 K13 T43 D44 N191 I194S7-R9 VanDerWaalsContact C-N 3.32Å; S7-R9 PolarHBondContact O-N 2.73Å; R9-Y11 VanDerWaalsContact C-N 3.35Å; R9-V12 PolarHBondContact O-N 3.35Å; R9-K13 PolarHBondContact O-N 3.17Å; R9-K13 VanDerWaalsContact O-N 3.09Å; R9-T43 VanDerWaalsContact CZ-O 3.26Å; R9-T43 PolarHBondContact NE-O 3.43Å; R9-T43 PolarHBondContact NH2-O 3.47Å; R9-D44 IonicContact CZ-OD2 3.75Å; R9-D44 IonicContact NE-OD1 3.7Å; R9-D44 IonicContact NE-OD2 3.64Å; R9-D44 IonicContact NH1-OD2 3.76Å; R9-N191 WeakPolarHBondContact CD-OD1 3.41Å; R9-I194 HydrophobicContact CB-CG2 4.29Å; R9-I194 HydrophobicContact CG-CD1 4.4Å
10A97Very high91.4Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-62.8-44.2-179.900000111L6 S7 C8 M14 V42 C45L6-A10 HydrophobicContact CD1-CB 3.5Å; L6-A10 VanDerWaalsContact CD1-CB 3.5Å; L6-A10 HydrophobicContact CG-CB 4.42Å; S7-A10 PolarHBondContact O-N 3.03Å; S7-A10 WeakPolarHBondContact OG-CB 3.37Å; S7-A10 PolarHBondContact OG-N 3.26Å; C8-A10 PolarHBondContact O-N 3.5Å; A10-M14 WeakPolarHBondContact O-CG 3.33Å; A10-M14 PolarHBondContact O-N 3.2Å; A10-M14 VanDerWaalsContact O-N 3.17Å; A10-V42 HydrophobicContact CB-CG1 3.91Å; A10-C45 PolarHBondContact O-SG 3.38Å
11Y96.4Very high91.5Very high4 Ų432 Ų322%0.01617%0.166CC..Hα-helixtrans-61.1-52.1176.3176.8-95.4000112.6L6 S7 C8 R9 K13 M14 Y15 P128 I129 L149 W152 T155 A159L6-Y11 HydrophobicContact CD2-CD2 4.46Å; S7-Y11 PolarHBondContact O-N 3.48Å; C8-Y11 PolarHBondContact O-N 3.14Å; R9-Y11 VanDerWaalsContact C-N 3.35Å; Y11-K13 VanDerWaalsContact C-N 3.31Å; Y11-K13 PolarHBondContact O-N 3.46Å; Y11-M14 WeakPolarHBondContact O-CB 3.32Å; Y11-M14 PolarHBondContact O-N 3.42Å; Y11-M14 VanDerWaalsContact O-N 3.12Å; Y11-Y15 HydrophobicContact CE1-CG 4.46Å; Y11-Y15 WeakPolarHBondContact O-CB 3.33Å; Y11-Y15 PolarHBondContact O-N 3.19Å; Y11-P128 HydrophobicContact CE2-CG 4.18Å; Y11-P128 WeakPolarHBondContact OH-CD 3.42Å; Y11-P128 WeakPolarHBondContact OH-CG 3.48Å; Y11-I129 HydrophobicContact CD2-CD1 4.01Å; Y11-I129 HydrophobicContact CE2-CD1 4.36Å; Y11-L149 HydrophobicContact CD2-CD2 4.5Å; Y11-L149 HydrophobicContact CG-CD2 4.33Å; Y11-W152 AromaticContact CD1-CZ3 3.97Å; Y11-W152 HydrophobicContact CD1-CZ3 3.97Å; Y11-W152 HydrophobicContact CD2-CZ3 4.06Å; Y11-W152 AromaticContact CE1-CH2 3.81Å; Y11-W152 HydrophobicContact CE1-CH2 3.81Å; Y11-W152 AromaticContact CE1-CZ3 3.59Å; Y11-W152 HydrophobicContact CE1-CZ3 3.59Å; Y11-W152 AromaticContact CE2-CH2 3.87Å; Y11-W152 HydrophobicContact CE2-CH2 3.87Å; Y11-W152 AromaticContact CE2-CZ3 3.7Å; Y11-W152 HydrophobicContact CE2-CZ3 3.7Å; Y11-W152 HydrophobicContact CG-CZ3 4.18Å; Y11-W152 AromaticContact CZ-CH2 3.39Å; Y11-W152 AromaticContact CZ-CZ3 3.47Å; Y11-W152 VanDerWaalsContact CZ-CZ3 3.47Å; Y11-W152 WeakPolarHBondContact OH-CH2 3.4Å; Y11-T155 HydrophobicContact CD1-CG2 3.38Å; Y11-T155 HydrophobicContact CE1-CG2 4.23Å; Y11-T155 HydrophobicContact CG-CG2 3.91Å; Y11-A159 HydrophobicContact CE1-CB 4.09Å
12V96.9Very high93.2Very high0 Ų028.7 Ų28.70%016%0.157CC..Hα-helixtrans-59-44.3-176172.10000110.4C8 R9 M14 Y15 L16 T155 I158 A159 M162 I194C8-V12 WeakPolarHBondContact O-CB 3.4Å; C8-V12 VanDerWaalsContact O-CG2 3.26Å; C8-V12 WeakPolarHBondContact O-CG2 3.34Å; C8-V12 PolarHBondContact O-N 2.9Å; R9-V12 PolarHBondContact O-N 3.35Å; V12-M14 PolarHBondContact O-N 2.88Å; V12-Y15 PolarHBondContact O-N 2.98Å; V12-L16 HydrophobicContact CG1-CD1 3.68Å; V12-L16 HydrophobicContact CG1-CG 4.08Å; V12-L16 WeakPolarHBondContact O-CB 3.42Å; V12-L16 WeakPolarHBondContact O-CG 3.41Å; V12-L16 PolarHBondContact O-N 2.88Å; V12-T155 HydrophobicContact CG2-CG2 4.4Å; V12-I158 HydrophobicContact CG2-CG2 4.09Å; V12-A159 HydrophobicContact CG2-CB 4.17Å; V12-M162 HydrophobicContact CG1-SD 3.6Å; V12-M162 VanDerWaalsContact CG1-SD 3.6Å; V12-I194 HydrophobicContact CB-CD1 4.04Å; V12-I194 HydrophobicContact CB-CG1 4.43Å; V12-I194 HydrophobicContact CG1-CD1 3.75Å; V12-I194 HydrophobicContact CG1-CG1 3.92Å
13K98.3Very high94.2Very high1 Ų138.2 Ų38.20%0.00419%0.186CC..Hα-helixtrans-59.5-47.3174.5-80.4-175.9176.8174.50113.3R9 Y11 Y15 L16 H17 D44 C45 L171 T186 L190 N191 I194R9-K13 PolarHBondContact O-N 3.17Å; R9-K13 VanDerWaalsContact O-N 3.09Å; Y11-K13 VanDerWaalsContact C-N 3.31Å; Y11-K13 PolarHBondContact O-N 3.46Å; K13-Y15 VanDerWaalsContact C-N 3.3Å; K13-Y15 PolarHBondContact O-N 3.49Å; K13-L16 PolarHBondContact O-N 3.1Å; K13-H17 VanDerWaalsContact O-CB 3.28Å; K13-H17 WeakPolarHBondContact O-CB 3.37Å; K13-H17 PolarHBondContact O-N 3.34Å; K13-D44 WeakPolarHBondContact CD-OD1 3.36Å; K13-D44 WeakPolarHBondContact CE-OD1 3.26Å; K13-D44 VanDerWaalsContact NZ-CG 3.34Å; K13-D44 IonicContact NZ-OD1 2.63Å; K13-D44 PolarHBondContact NZ-OD1 2.99Å; K13-D44 IonicContact NZ-OD2 3.04Å; K13-D44 PolarHBondContact NZ-OD2 3.47Å; K13-D44 VanDerWaalsContact NZ-OD2 3.16Å; K13-C45 WeakPolarHBondContact CB-SG 3.38Å; K13-C45 WeakPolarHBondContact CD-O 3.39Å; K13-C45 PolarHBondContact NZ-O 3.18Å; K13-L171 HydrophobicContact CB-CD1 4.42Å; K13-L171 VanDerWaalsContact O-CD1 3.29Å; K13-L171 WeakPolarHBondContact O-CD1 3.08Å; K13-T186 PolarHBondContact NZ-O 3.44Å; K13-L190 HydrophobicContact CG-CD2 3.95Å; K13-N191 WeakPolarHBondContact CE-OD1 3.5Å; K13-N191 PolarHBondContact NZ-OD1 3.1Å; K13-I194 HydrophobicContact CG-CD1 4.38Å
14M97.6Very high94.7Very high0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-58.9-43.9177.4-74.3-171.7-62.800111.6L6 A10 Y11 V12 S18 L30 C45 Y81 L113 L115 I129L6-M14 HydrophobicContact CD1-CE 3.97Å; L6-M14 HydrophobicContact CD2-CE 3.59Å; L6-M14 HydrophobicContact CG-CE 4.39Å; A10-M14 WeakPolarHBondContact O-CG 3.33Å; A10-M14 PolarHBondContact O-N 3.2Å; A10-M14 VanDerWaalsContact O-N 3.17Å; Y11-M14 WeakPolarHBondContact O-CB 3.32Å; Y11-M14 PolarHBondContact O-N 3.42Å; Y11-M14 VanDerWaalsContact O-N 3.12Å; V12-M14 PolarHBondContact O-N 2.88Å; M14-S18 PolarHBondContact O-N 3.05Å; M14-S18 VanDerWaalsContact O-N 3.15Å; M14-L30 HydrophobicContact SD-CD2 3.78Å; M14-C45 HydrophobicContact CG-CB 4.45Å; M14-Y81 HydrophobicContact CB-CE2 4.42Å; M14-Y81 HydrophobicContact CG-CD1 3.76Å; M14-Y81 HydrophobicContact CG-CD2 3.95Å; M14-Y81 HydrophobicContact CG-CE1 3.73Å; M14-Y81 HydrophobicContact CG-CE2 3.95Å; M14-Y81 HydrophobicContact CG-CG 3.85Å; M14-Y81 HydrophobicContact SD-CD1 3.73Å; M14-Y81 HydrophobicContact SD-CD2 4.06Å; M14-Y81 HydrophobicContact SD-CE1 4.33Å; M14-Y81 HydrophobicContact SD-CG 3.56Å; M14-Y81 VanDerWaalsContact SD-CG 3.56Å; M14-L113 HydrophobicContact CE-CD1 4.27Å; M14-L113 HydrophobicContact SD-CD1 4.31Å; M14-L115 HydrophobicContact CB-CD1 4.1Å; M14-L115 HydrophobicContact CB-CD2 4.45Å; M14-I129 HydrophobicContact CE-CD1 4.46Å
15Y96.5Very high95Very high15 Ų1536.8 Ų36.86%0.05919%0.188CC..Hα-helixtrans-62.2-53.8176.8177-96.2000111.6Y11 V12 K13 H17 S18 C19 M120 A159 L163Y11-Y15 HydrophobicContact CE1-CG 4.46Å; Y11-Y15 WeakPolarHBondContact O-CB 3.33Å; Y11-Y15 PolarHBondContact O-N 3.19Å; V12-Y15 PolarHBondContact O-N 2.98Å; K13-Y15 VanDerWaalsContact C-N 3.3Å; K13-Y15 PolarHBondContact O-N 3.49Å; Y15-H17 VanDerWaalsContact C-N 3.27Å; Y15-H17 PolarHBondContact O-N 3.42Å; Y15-S18 PolarHBondContact O-N 2.88Å; Y15-S18 PolarHBondContact O-OG 2.64Å; Y15-C19 VanDerWaalsContact CE1-SG 3.58Å; Y15-C19 VanDerWaalsContact CZ-SG 3.58Å; Y15-C19 PolarHBondContact O-N 3.35Å; Y15-C19 PolarHBondContact O-SG 2.77Å; Y15-C19 VanDerWaalsContact O-SG 3.34Å; Y15-M120 HydrophobicContact CD2-CE 4.48Å; Y15-M120 HydrophobicContact CD2-CG 4.45Å; Y15-M120 HydrophobicContact CE2-CB 4.21Å; Y15-M120 HydrophobicContact CE2-CG 4.41Å; Y15-A159 HydrophobicContact CD1-CB 3.72Å; Y15-A159 HydrophobicContact CE1-CB 4.04Å; Y15-A159 HydrophobicContact CG-CB 4.2Å; Y15-L163 HydrophobicContact CE1-CB 4.36Å; Y15-L163 HydrophobicContact CE1-CD2 4.14Å; Y15-L163 WeakPolarHBondContact OH-CD2 3.34Å
16L97.3Very high95.2Very high0 Ų034.3 Ų34.30%018%0.176CC..Hα-helixtrans-60.7-37.5-179.7-63173.5000111.9V12 K13 S18 C19 L20 M162 H168 L171 L190V12-L16 HydrophobicContact CG1-CD1 3.68Å; V12-L16 HydrophobicContact CG1-CG 4.08Å; V12-L16 WeakPolarHBondContact O-CB 3.42Å; V12-L16 WeakPolarHBondContact O-CG 3.41Å; V12-L16 PolarHBondContact O-N 2.88Å; K13-L16 PolarHBondContact O-N 3.1Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 3.05Å; L16-C19 PolarHBondContact O-N 3Å; L16-L20 PolarHBondContact O-N 3.06Å; L16-M162 HydrophobicContact CD1-CB 4.21Å; L16-M162 HydrophobicContact CD1-CE 4.1Å; L16-M162 HydrophobicContact CD1-SD 4.1Å; L16-M162 HydrophobicContact CD2-CB 3.93Å; L16-H168 HydrophobicContact CB-CB 4.28Å; L16-H168 HydrophobicContact CD2-CB 3.65Å; L16-H168 HydrophobicContact CG-CB 4.42Å; L16-L171 HydrophobicContact CB-CD1 3.82Å; L16-L190 HydrophobicContact CD1-CD1 4.09Å; L16-L190 HydrophobicContact CD1-CD2 4.34Å
17H97.8Very high95.4Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-60.2-43.1174.8-173.7-161.3000111.4K13 Y15 L20 F21 I26 N27 P47 Y81 L171 D173K13-H17 VanDerWaalsContact O-CB 3.28Å; K13-H17 WeakPolarHBondContact O-CB 3.37Å; K13-H17 PolarHBondContact O-N 3.34Å; Y15-H17 VanDerWaalsContact C-N 3.27Å; Y15-H17 PolarHBondContact O-N 3.42Å; H17-L20 PolarHBondContact O-N 3.22Å; H17-F21 AromaticContact CD2-CD2 3.58Å; H17-F21 AromaticContact CD2-CE2 3.68Å; H17-F21 AromaticContact NE2-CD2 3.8Å; H17-F21 AromaticContact NE2-CE2 3.83Å; H17-F21 PolarHBondContact O-N 3.33Å; H17-I26 HydrophobicContact CB-CD1 3.88Å; H17-I26 WeakPolarHBondContact ND1-CD1 2.86Å; H17-N27 PolarHBondContact CE1-O 3.28Å; H17-N27 VanDerWaalsContact CE1-O 3.27Å; H17-P47 HydrophobicContact CB-CB 4.37Å; H17-P47 HydrophobicContact CB-CG 4.44Å; H17-Y81 AromaticContact ND1-CE2 3.98Å; H17-Y81 AromaticContact ND1-CZ 3.86Å; H17-Y81 PolarHBondContact ND1-OH 2.83Å; H17-L171 HydrophobicContact CB-CD1 4.09Å; H17-L171 HydrophobicContact CB-CD2 4.11Å; H17-D173 IonicContact NE2-OD2 2.75Å; H17-D173 PolarHBondContact NE2-OD2 3.42Å
18S95.4Very high95.6Very high14 Ų1432.4 Ų32.410%0.09816%0.164CC..Hα-helixtrans-67.5-35.6177.272.80000112.6M14 Y15 L16 F21 P22 M120M14-S18 PolarHBondContact O-N 3.05Å; M14-S18 VanDerWaalsContact O-N 3.15Å; Y15-S18 PolarHBondContact O-N 2.88Å; Y15-S18 PolarHBondContact O-OG 2.64Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 3.05Å; S18-F21 CarbonylContact O-C 3.6Å; S18-F21 PolarHBondContact O-N 3.46Å; S18-P22 WeakPolarHBondContact O-CA 3.4Å; S18-M120 VanDerWaalsContact OG-CE 3.3Å; S18-M120 WeakPolarHBondContact OG-CE 3.38Å; S18-M120 PolarHBondContact OG-SD 2.92Å
19C94.4Very high95.7Very high36 Ų3631.2 Ų31.224%0.24316%0.156CC..Hα-helixtrans-71.3-31.3177.5-64.30000113.2Y15 L16 F21 P22 L163Y15-C19 VanDerWaalsContact CE1-SG 3.58Å; Y15-C19 VanDerWaalsContact CZ-SG 3.58Å; Y15-C19 PolarHBondContact O-N 3.35Å; Y15-C19 PolarHBondContact O-SG 2.77Å; Y15-C19 VanDerWaalsContact O-SG 3.34Å; L16-C19 PolarHBondContact O-N 3Å; C19-F21 VanDerWaalsContact C-N 3.3Å; C19-P22 WeakPolarHBondContact O-CD 3.33Å; C19-L163 HydrophobicContact CB-CD1 3.78Å
20L95.3Very high95.7Very high51 Ų5127.5 Ų27.527%0.26714%0.142SC..Hα-helixtrans-66.4-33.9174.7-83.6171.5000112.2L16 H17 P22 H168 L171L16-L20 PolarHBondContact O-N 3.06Å; H17-L20 PolarHBondContact O-N 3.22Å; L20-P22 VanDerWaalsContact C-CD 3.44Å; L20-P22 WeakPolarHBondContact O-CD 3.21Å; L20-H168 WeakPolarHBondContact CD1-O 3.44Å; L20-L171 HydrophobicContact CD1-CB 3.81Å; L20-L171 HydrophobicContact CD1-CD2 3.74Å; L20-L171 HydrophobicContact CD1-CG 4.31Å
21F94.6Very high95.7Very high47 Ų4727.5 Ų27.521%0.20614%0.142CC..SBendtrans-12660.9-176.2-51.4-71.8000112.2H17 S18 C19 R23 C24 I26 H50H17-F21 AromaticContact CD2-CD2 3.58Å; H17-F21 AromaticContact CD2-CE2 3.68Å; H17-F21 AromaticContact NE2-CD2 3.8Å; H17-F21 AromaticContact NE2-CE2 3.83Å; H17-F21 PolarHBondContact O-N 3.33Å; S18-F21 CarbonylContact O-C 3.6Å; S18-F21 PolarHBondContact O-N 3.46Å; C19-F21 VanDerWaalsContact C-N 3.3Å; F21-R23 PolarHBondContact O-N 2.94Å; F21-C24 HydrophobicContact CB-CB 3.92Å; F21-C24 PolarHBondContact O-N 3.46Å; F21-I26 HydrophobicContact CB-CG2 3.81Å; F21-I26 HydrophobicContact CD2-CG2 4.04Å; F21-I26 HydrophobicContact CG-CG2 4.35Å; F21-H50 HydrophobicContact CB-CB 4.1Å; F21-H50 HydrophobicContact CD1-CB 3.91Å; F21-H50 AromaticContact CD1-CD2 3.52Å; F21-H50 AromaticContact CD1-CG 3.71Å; F21-H50 HydrophobicContact CD2-CB 3.39Å; F21-H50 AromaticContact CD2-CG 3.81Å; F21-H50 HydrophobicContact CE1-CB 4.13Å; F21-H50 AromaticContact CE1-CD2 3.31Å; F21-H50 WeakPolarHBondContact CE1-CD2 3.26Å; F21-H50 AromaticContact CE1-CE1 3.79Å; F21-H50 AromaticContact CE1-CG 3.49Å; F21-H50 VanDerWaalsContact CE1-CG 3.49Å; F21-H50 AromaticContact CE1-ND1 3.78Å; F21-H50 AromaticContact CE1-NE2 3.54Å; F21-H50 HydrophobicContact CE2-CB 3.63Å; F21-H50 AromaticContact CE2-CG 3.6Å; F21-H50 AromaticContact CE2-ND1 3.65Å; F21-H50 HydrophobicContact CG-CB 3.53Å; F21-H50 AromaticContact CG-CG 3.86Å; F21-H50 HydrophobicContact CZ-CB 3.99Å; F21-H50 AromaticContact CZ-CD2 3.73Å; F21-H50 AromaticContact CZ-CE1 3.59Å; F21-H50 AromaticContact CZ-CG 3.43Å; F21-H50 VanDerWaalsContact CZ-CG 3.43Å; F21-H50 AromaticContact CZ-ND1 3.34Å; F21-H50 VanDerWaalsContact CZ-ND1 3.34Å; F21-H50 WeakPolarHBondContact CZ-ND1 3.47Å; F21-H50 AromaticContact CZ-NE2 3.85Å
22P90.4Very high95.7Very high99 Ų9927.6 Ų27.664%0.64314%0.143SC*.THydrogen-bonded Turntrans-69.3-9.8-166.229.1-36.6000114.6S18 C19 L20S18-P22 WeakPolarHBondContact O-CA 3.4Å; C19-P22 WeakPolarHBondContact O-CD 3.33Å; L20-P22 VanDerWaalsContact C-CD 3.44Å; L20-P22 WeakPolarHBondContact O-CD 3.21Å
23R88.8Confident95.2Very high223 Ų22330.9 Ų30.984%0.84217%0.166SC*.THydrogen-bonded Turntrans-113.93.9178.6-62.1-171.1-65.8167.5-0.9112.8F21F21-R23 PolarHBondContact O-N 2.94Å
24C92.4Very high93.9Very high49 Ų4934.1 Ų34.133%0.33119%0.189SC..SBendtrans-108.9156.3-179.1-57.40000110.1F21 H50F21-C24 HydrophobicContact CB-CB 3.92Å; F21-C24 PolarHBondContact O-N 3.46Å; C24-H50 WeakPolarHBondContact CB-O 3.38Å
25S94.3Very high92Very high38 Ų3840.1 Ų40.127%0.26623%0.231SC..  trans-76.1137.5158.1-60.80000108L53 A83 A85S25-L53 WeakPolarHBondContact O-CD1 3.48Å; S25-A83 CarbonylContact C-O 3.57Å; S25-A83 WeakPolarHBondContact CA-O 3.06Å; S25-A83 WeakPolarHBondContact CB-O 3.26Å; S25-A85 PolarHBondContact OG-N 3.41Å
26I96.5Very high89.8Confident0 Ų041.9 Ų41.90%025%0.248CC..EExtended strand (participates in β ladder)trans-124.8157.9176.860.3143.1000110.6H17 F21 L49 H50 Y81 Q82 A83 L115H17-I26 HydrophobicContact CB-CD1 3.88Å; H17-I26 WeakPolarHBondContact ND1-CD1 2.86Å; F21-I26 HydrophobicContact CB-CG2 3.81Å; F21-I26 HydrophobicContact CD2-CG2 4.04Å; F21-I26 HydrophobicContact CG-CG2 4.35Å; I26-L49 CarbonylContact C-O 3.56Å; I26-L49 VanDerWaalsContact CA-O 3.27Å; I26-L49 WeakPolarHBondContact CA-O 3.44Å; I26-H50 HydrophobicContact CG2-CB 3.93Å; I26-Y81 HydrophobicContact CD1-CE2 4.05Å; I26-Q82 VanDerWaalsContact O-CA 3.29Å; I26-Q82 WeakPolarHBondContact O-CA 3.29Å; I26-A83 HydrophobicContact CD1-CB 4.21Å; I26-A83 HydrophobicContact CG1-CB 3.55Å; I26-A83 PolarHBondContact N-O 3Å; I26-A83 PolarHBondContact O-N 3.38Å; I26-L115 HydrophobicContact CD1-CD1 4.45Å
27N97Very high87.8Confident0 Ų045.5 Ų45.50%029%0.286CS..EExtended strand (participates in β ladder)trans-147.3171.617368.86.3000114.2H17 L48 L49 L53 Y80 Y81 Q82H17-N27 PolarHBondContact CE1-O 3.28Å; H17-N27 VanDerWaalsContact CE1-O 3.27Å; N27-L48 PolarHBondContact O-N 3.33Å; N27-L48 WeakPolarHBondContact OD1-CB 3.33Å; N27-L49 PolarHBondContact N-O 2.88Å; N27-L49 WeakPolarHBondContact OD1-CB 3.38Å; N27-L49 PolarHBondContact OD1-N 3.18Å; N27-L53 HydrophobicContact CB-CD2 4.07Å; N27-L53 HydrophobicContact CB-CG 4.43Å; N27-Y80 HydrophobicContact CB-CE1 4.37Å; N27-Y80 HydrophobicContact CB-CE2 3.72Å; N27-Y80 VanDerWaalsContact CB-CZ 3.48Å; N27-Y80 WeakPolarHBondContact CB-OH 3.45Å; N27-Y80 PolarHBondContact ND2-OH 2.98Å; N27-Y81 CarbonylContact C-O 3.56Å; N27-Y81 VanDerWaalsContact CA-O 3.25Å; N27-Y81 WeakPolarHBondContact CA-O 3.04Å; N27-Y81 WeakPolarHBondContact CB-O 3.22Å; N27-Q82 HydrophobicContact CB-CB 4.44Å
28G97.6Very high86.4Confident0 Ų048.8 Ų48.80%032%0.32CS..EExtended strand (participates in β ladder)trans-175.2-177.8169.600000114.4V46 Y80 Y81G28-V46 CarbonylContact C-O 3.51Å; G28-V46 WeakPolarHBondContact CA-O 3.24Å; G28-Y80 WeakPolarHBondContact O-CA 3.37Å; G28-Y80 VanDerWaalsContact O-CD2 3.31Å; G28-Y80 WeakPolarHBondContact O-CD2 3.48Å; G28-Y81 VanDerWaalsContact C-CD1 3.46Å; G28-Y81 VanDerWaalsContact C-CE1 3.47Å; G28-Y81 PolarHBondContact N-O 3.48Å; G28-Y81 WeakPolarHBondContact O-CD1 3.11Å; G28-Y81 PolarHBondContact O-N 2.68Å
29L98.2Very high85.5Confident0 Ų049.8 Ų49.80%033%0.329CS..EExtended strand (participates in β ladder)trans-105.7141.3-176.4-60.1169.9000110.7L31 C45 V46 L48 L63 V66 I77 Y80 I103L29-L31 HydrophobicContact CB-CD2 4.49Å; L29-C45 CarbonylContact O-C 3.57Å; L29-C45 WeakPolarHBondContact O-CA 3.47Å; L29-C45 VanDerWaalsContact O-CB 3.22Å; L29-C45 WeakPolarHBondContact O-CB 3.33Å; L29-V46 PolarHBondContact N-O 3.41Å; L29-V46 PolarHBondContact O-N 3.24Å; L29-L48 HydrophobicContact CD1-CD1 3.91Å; L29-L48 HydrophobicContact CD1-CD2 4.4Å; L29-L48 HydrophobicContact CD1-CG 4.43Å; L29-L48 HydrophobicContact CD2-CD1 4.23Å; L29-L48 HydrophobicContact CG-CD1 3.68Å; L29-L48 HydrophobicContact CG-CG 4.19Å; L29-L63 HydrophobicContact CD1-CD2 3.87Å; L29-L63 HydrophobicContact CD2-CD2 3.63Å; L29-L63 HydrophobicContact CG-CD2 4.38Å; L29-V66 HydrophobicContact CD1-CB 3.84Å; L29-V66 HydrophobicContact CD1-CG1 3.76Å; L29-V66 HydrophobicContact CD1-CG2 4.03Å; L29-I77 HydrophobicContact CB-CG2 4.36Å; L29-I77 HydrophobicContact CD1-CD1 4.04Å; L29-I77 HydrophobicContact CD1-CG1 4.45Å; L29-I77 HydrophobicContact CD2-CG2 4.14Å; L29-Y80 HydrophobicContact CD2-CD2 4.31Å; L29-I103 HydrophobicContact CD2-CD1 3.89Å
30L97.9Very high85.1Confident0 Ų048.6 Ų48.60%032%0.32CS..EExtended strand (participates in β ladder)trans-98.9133.7177-57.5172.5000108.9M14 V42 C45 I77 V78 G79 Y81 V111 L113M14-L30 HydrophobicContact SD-CD2 3.78Å; L30-V42 HydrophobicContact CB-CG1 3.89Å; L30-V42 HydrophobicContact CB-CG2 4.42Å; L30-V42 HydrophobicContact CD2-CG1 4.01Å; L30-V42 HydrophobicContact CG-CG1 4.41Å; L30-C45 HydrophobicContact CD2-CB 3.96Å; L30-I77 CarbonylContact O-C 3.58Å; L30-I77 WeakPolarHBondContact O-CA 3.34Å; L30-V78 HydrophobicContact CB-CG2 4.28Å; L30-V78 WeakPolarHBondContact O-CG2 3.12Å; L30-V78 PolarHBondContact O-N 2.92Å; L30-G79 PolarHBondContact N-O 3.44Å; L30-G79 PolarHBondContact O-N 3.38Å; L30-Y81 HydrophobicContact CD2-CD1 3.76Å; L30-Y81 HydrophobicContact CD2-CG 4.42Å; L30-Y81 HydrophobicContact CG-CD1 4.38Å; L30-V111 HydrophobicContact CD1-CG2 3.84Å; L30-L113 HydrophobicContact CD1-CB 4.43Å; L30-L113 HydrophobicContact CD1-CD1 3.48Å; L30-L113 VanDerWaalsContact CD1-CD1 3.48Å; L30-L113 HydrophobicContact CD1-CG 3.6Å; L30-L113 HydrophobicContact CD2-CD1 4.15Å; L30-L113 HydrophobicContact CG-CD1 4.47Å
31L97.1Very high84.9Confident0 Ų047.5 Ų47.50%032%0.317CS..EExtended strand (participates in β ladder)trans-119.1150-172.4-54.8-172000111.9L29 V42 T43 D44 V46 V66 W69 R76 I77L29-L31 HydrophobicContact CB-CD2 4.49Å; L31-V42 CarbonylContact O-C 3.54Å; L31-V42 WeakPolarHBondContact O-CA 3.4Å; L31-T43 PolarHBondContact O-N 2.69Å; L31-T43 PolarHBondContact O-OG1 2.96Å; L31-D44 HydrophobicContact CB-CB 4.37Å; L31-D44 PolarHBondContact N-O 3.4Å; L31-D44 PolarHBondContact O-N 3.3Å; L31-V46 HydrophobicContact CD1-CG2 3.67Å; L31-V46 HydrophobicContact CG-CG2 4.33Å; L31-V66 HydrophobicContact CD2-CG1 4.21Å; L31-W69 HydrophobicContact CD1-CE3 4.45Å; L31-W69 HydrophobicContact CD1-CH2 4.4Å; L31-W69 HydrophobicContact CD1-CZ3 3.58Å; L31-R76 WeakPolarHBondContact CA-O 3.28Å; L31-I77 HydrophobicContact CD2-CB 4.42Å; L31-I77 HydrophobicContact CD2-CG1 3.86Å
32S94.9Very high85Confident7 Ų745.4 Ų45.45%0.04931%0.308CS..EExtended strand (participates in β ladder)trans-133.7138.8171.9-167.40000111.2S34 C41 T43 Q75 R76 V78S32-S34 PolarHBondContact OG-N 2.75Å; S32-S34 PolarHBondContact OG-O 2.94Å; S32-S34 VanDerWaalsContact OG-O 3.06Å; S32-C41 WeakPolarHBondContact CB-O 3.26Å; S32-C41 PolarHBondContact OG-O 3.35Å; S32-T43 WeakPolarHBondContact CA-OG1 3.39Å; S32-Q75 CarbonylContact O-C 3.52Å; S32-Q75 WeakPolarHBondContact O-CA 3.36Å; S32-R76 PolarHBondContact N-O 3.45Å; S32-R76 PolarHBondContact O-N 3.02Å; S32-V78 VanDerWaalsContact CB-CG1 3.48Å
33S87.1Confident85.2Confident69 Ų6942 Ų4248%0.48329%0.285SS..SBendtrans-96.1-4.5171.858.50000113.9T43S33-T43 PolarHBondContact N-OG1 3.4Å
34S71.6Confident85.6Confident68 Ų6831.5 Ų31.548%0.47625%0.246SC..  trans-139.8138.7-175.6-175.60000112.5S32 A36S32-S34 PolarHBondContact OG-N 2.75Å; S32-S34 PolarHBondContact OG-O 2.94Å; S32-S34 VanDerWaalsContact OG-O 3.06Å; S34-A36 PolarHBondContact OG-N 3.45Å
35S56.9Low85.9Confident126 Ų12629.1 Ų29.188%0.88123%0.23SC*.  trans-98.854.5168.853.30000110.2G37S35-G37 PolarHBondContact O-N 3.38Å; S35-G37 VanDerWaalsContact O-N 3.1Å
36A51.3Low86.1Confident52 Ų5227.4 Ų27.443%0.4322%0.218SC..  trans-76.4102.4178.800000110.7S34 G38S34-A36 PolarHBondContact OG-N 3.45Å; A36-G38 PolarHBondContact O-N 2.94Å
37G55.3Low86.1Confident77 Ų7727.4 Ų27.479%0.79422%0.218SC*.THydrogen-bonded Turntrans34.883.7152.200000117.5S35 A39S35-G37 PolarHBondContact O-N 3.38Å; S35-G37 VanDerWaalsContact O-N 3.1Å; G37-A39 PolarHBondContact O-N 3.48Å
38G66.5Low86.1Confident69 Ų6927.5 Ų27.571%0.71122%0.218SC*.THydrogen-bonded Turntrans79.1-20.8161.400000116.9G2 A36G2-G38 WeakPolarHBondContact CA-O 3.44Å; A36-G38 PolarHBondContact O-N 2.94Å
39A76.5Confident86Confident35 Ų3527.5 Ų27.529%0.28922%0.218SC..SBendtrans-104.1147.6175.100000111.6E3 G37E3-A39 HydrophobicContact CB-CB 4.4Å; E3-A39 CarbonylContact O-C 3.46Å; E3-A39 VanDerWaalsContact O-CA 3.24Å; E3-A39 WeakPolarHBondContact O-CA 3Å; E3-A39 WeakPolarHBondContact O-CB 3.41Å; G37-A39 PolarHBondContact O-N 3.48Å
40V87.1Confident85.7Confident10 Ų1029.2 Ų29.26%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-95108.3177-178.30000108.5E3 V4 E5 V42 V78 F107 S109E3-V40 PolarHBondContact O-N 3.25Å; V4-V40 WeakPolarHBondContact CA-O 3.49Å; V4-V40 HydrophobicContact CG1-CB 4.38Å; V4-V40 HydrophobicContact CG2-CB 4.29Å; E5-V40 PolarHBondContact N-O 3.08Å; V40-V42 HydrophobicContact CG1-CG2 4.41Å; V40-V78 HydrophobicContact CG1-CB 4.18Å; V40-V78 HydrophobicContact CG1-CG2 4.29Å; V40-F107 HydrophobicContact CG1-CE1 4.07Å; V40-F107 HydrophobicContact CG1-CZ 4.28Å; V40-F107 HydrophobicContact CG2-CE1 4.16Å; V40-F107 HydrophobicContact CG2-CZ 4.1Å; V40-S109 WeakPolarHBondContact CG2-O 3.42Å
41C92.1Very high84.9Confident29 Ų2932.2 Ų32.220%0.19625%0.247CC..EExtended strand (participates in β ladder)trans-96.1107.2178.1-59.90000110.5E5 S32 T43E5-C41 CarbonylContact O-C 3.55Å; S32-C41 WeakPolarHBondContact CB-O 3.26Å; S32-C41 PolarHBondContact OG-O 3.35Å; C41-T43 PolarHBondContact O-N 2.69Å
42V94.9Very high83.7Confident2 Ų236.7 Ų36.71%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-85.7101.6174.9-178.20000109.5V4 E5 L6 S7 A10 L30 L31 V40 V78 V111V4-V42 HydrophobicContact CG1-CG2 4.48Å; E5-V42 PolarHBondContact O-N 2.67Å; L6-V42 HydrophobicContact CD1-CB 3.63Å; L6-V42 HydrophobicContact CD1-CG1 3.45Å; L6-V42 VanDerWaalsContact CD1-CG1 3.45Å; L6-V42 HydrophobicContact CD1-CG2 4.46Å; S7-V42 WeakPolarHBondContact CB-O 3.43Å; S7-V42 PolarHBondContact N-O 3.49Å; S7-V42 PolarHBondContact OG-O 2.95Å; A10-V42 HydrophobicContact CB-CG1 3.91Å; L30-V42 HydrophobicContact CB-CG1 3.89Å; L30-V42 HydrophobicContact CB-CG2 4.42Å; L30-V42 HydrophobicContact CD2-CG1 4.01Å; L30-V42 HydrophobicContact CG-CG1 4.41Å; L31-V42 CarbonylContact O-C 3.54Å; L31-V42 WeakPolarHBondContact O-CA 3.4Å; V40-V42 HydrophobicContact CG1-CG2 4.41Å; V42-V78 HydrophobicContact CG2-CG2 4.14Å; V42-V111 HydrophobicContact CG2-CG2 4.43Å
43T95.4Very high82.6Confident28 Ų2837.2 Ų37.217%0.17227%0.27CS..  trans-93.1-21.2-172.856.20000113.8S7 R9 L31 S32 S33 C41S7-T43 WeakPolarHBondContact OG-CA 2.78Å; S7-T43 PolarHBondContact OG-O 2.92Å; R9-T43 VanDerWaalsContact CZ-O 3.26Å; R9-T43 PolarHBondContact NE-O 3.43Å; R9-T43 PolarHBondContact NH2-O 3.47Å; L31-T43 PolarHBondContact O-N 2.69Å; L31-T43 PolarHBondContact O-OG1 2.96Å; S32-T43 WeakPolarHBondContact CA-OG1 3.39Å; S33-T43 PolarHBondContact N-OG1 3.4Å; C41-T43 PolarHBondContact O-N 2.69Å
44D97.3Very high81.8Confident2 Ų238.7 Ų38.71%0.01128%0.278CS..EExtended strand (participates in β ladder)trans-157.4173.5177-155.8-5.6000110.1R9 K13 L31R9-D44 IonicContact CZ-OD2 3.75Å; R9-D44 IonicContact NE-OD1 3.7Å; R9-D44 IonicContact NE-OD2 3.64Å; R9-D44 IonicContact NH1-OD2 3.76Å; K13-D44 WeakPolarHBondContact CD-OD1 3.36Å; K13-D44 WeakPolarHBondContact CE-OD1 3.26Å; K13-D44 VanDerWaalsContact NZ-CG 3.34Å; K13-D44 IonicContact NZ-OD1 2.63Å; K13-D44 PolarHBondContact NZ-OD1 2.99Å; K13-D44 IonicContact NZ-OD2 3.04Å; K13-D44 PolarHBondContact NZ-OD2 3.47Å; K13-D44 VanDerWaalsContact NZ-OD2 3.16Å; L31-D44 HydrophobicContact CB-CB 4.37Å; L31-D44 PolarHBondContact N-O 3.4Å; L31-D44 PolarHBondContact O-N 3.3Å
45C98.1Very high81.9Confident0 Ų039.3 Ų39.30%028%0.276CS..EExtended strand (participates in β ladder)trans-142.3157.7167.573.40000111.8A10 K13 M14 L29 L30 Y81A10-C45 PolarHBondContact O-SG 3.38Å; K13-C45 WeakPolarHBondContact CB-SG 3.38Å; K13-C45 WeakPolarHBondContact CD-O 3.39Å; K13-C45 PolarHBondContact NZ-O 3.18Å; M14-C45 HydrophobicContact CG-CB 4.45Å; L29-C45 CarbonylContact O-C 3.57Å; L29-C45 WeakPolarHBondContact O-CA 3.47Å; L29-C45 VanDerWaalsContact O-CB 3.22Å; L29-C45 WeakPolarHBondContact O-CB 3.33Å; L30-C45 HydrophobicContact CD2-CB 3.96Å; C45-Y81 HydrophobicContact CB-CD1 4.41Å; C45-Y81 HydrophobicContact CB-CE1 4.01Å
46V98.3Very high83Confident2 Ų236.1 Ų36.11%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-112.5110.2172.6179.30000109G28 L29 L31 L48 V66 W185G28-V46 CarbonylContact C-O 3.51Å; G28-V46 WeakPolarHBondContact CA-O 3.24Å; L29-V46 PolarHBondContact N-O 3.41Å; L29-V46 PolarHBondContact O-N 3.24Å; L31-V46 HydrophobicContact CD1-CG2 3.67Å; L31-V46 HydrophobicContact CG-CG2 4.33Å; V46-L48 HydrophobicContact CG1-CD2 3.97Å; V46-L48 PolarHBondContact O-N 3.07Å; V46-V66 HydrophobicContact CB-CG2 4.42Å; V46-V66 HydrophobicContact CG1-CG2 3.94Å; V46-V66 HydrophobicContact CG2-CG1 4.19Å; V46-V66 HydrophobicContact CG2-CG2 4.49Å; V46-W185 HydrophobicContact CG1-CE3 3.54Å; V46-W185 HydrophobicContact CG1-CZ3 3.94Å; V46-W185 HydrophobicContact CG2-CE3 4.22Å; V46-W185 HydrophobicContact CG2-CZ3 3.95Å
47P98.1Very high84.6Confident0 Ų038.1 Ų38.10%027%0.265CS..EExtended strand (participates in β ladder)trans-57125.5165.4-24.637.1000111.3H17 Y81 L171 D173 F174H17-P47 HydrophobicContact CB-CB 4.37Å; H17-P47 HydrophobicContact CB-CG 4.44Å; P47-Y81 VanDerWaalsContact CA-OH 3.26Å; P47-Y81 WeakPolarHBondContact CA-OH 3.38Å; P47-L171 HydrophobicContact CB-CD2 4.05Å; P47-L171 HydrophobicContact CG-CD1 4.07Å; P47-L171 HydrophobicContact CG-CD2 3.97Å; P47-L171 HydrophobicContact CG-CG 4.22Å; P47-D173 HydrophobicContact CB-CB 3.61Å; P47-D173 WeakPolarHBondContact O-CA 3.4Å; P47-F174 PolarHBondContact O-N 3.08Å; P47-F174 VanDerWaalsContact O-N 3.09Å
48L96Very high86.1Confident1 Ų136.3 Ų36.31%0.00524%0.237CC..  trans-104.2-79.5-177.2-72.3-169.9000112.1N27 L29 V46 A62 V66 F174 D175N27-L48 PolarHBondContact O-N 3.33Å; N27-L48 WeakPolarHBondContact OD1-CB 3.33Å; L29-L48 HydrophobicContact CD1-CD1 3.91Å; L29-L48 HydrophobicContact CD1-CD2 4.4Å; L29-L48 HydrophobicContact CD1-CG 4.43Å; L29-L48 HydrophobicContact CD2-CD1 4.23Å; L29-L48 HydrophobicContact CG-CD1 3.68Å; L29-L48 HydrophobicContact CG-CG 4.19Å; V46-L48 HydrophobicContact CG1-CD2 3.97Å; V46-L48 PolarHBondContact O-N 3.07Å; L48-A62 HydrophobicContact CD1-CB 4.19Å; L48-A62 HydrophobicContact CD2-CB 3.79Å; L48-V66 HydrophobicContact CD2-CG2 4.27Å; L48-F174 HydrophobicContact CD2-CB 3.85Å; L48-F174 HydrophobicContact CD2-CD2 4.43Å; L48-F174 HydrophobicContact CD2-CG 4.23Å; L48-F174 CarbonylContact O-C 3.59Å; L48-F174 WeakPolarHBondContact O-CA 3.4Å; L48-F174 WeakPolarHBondContact O-CB 3.21Å; L48-F174 PolarHBondContact O-N 3.11Å; L48-D175 PolarHBondContact O-N 3.37Å
49L94.6Very high87.1Confident0 Ų033.5 Ų33.50%021%0.206CC..  trans-126149.6-166.8-46.7175.8000111.2I26 N27 L53 I58 D175I26-L49 CarbonylContact C-O 3.56Å; I26-L49 VanDerWaalsContact CA-O 3.27Å; I26-L49 WeakPolarHBondContact CA-O 3.44Å; N27-L49 PolarHBondContact N-O 2.88Å; N27-L49 WeakPolarHBondContact OD1-CB 3.38Å; N27-L49 PolarHBondContact OD1-N 3.18Å; L49-L53 HydrophobicContact CB-CD1 3.88Å; L49-L53 HydrophobicContact CB-CG 4.23Å; L49-I58 HydrophobicContact CD1-CG2 4.4Å; L49-I58 HydrophobicContact CD2-CG2 3.56Å; L49-D175 WeakPolarHBondContact CA-OD2 3.34Å; L49-D175 WeakPolarHBondContact CD2-OD1 3.34Å
50H92.8Very high87.7Confident36 Ų3637.9 Ų37.917%0.16722%0.22CC..SBendtrans-131.5-4.8175.467.8-92.5000114F21 C24 I26 D173 D175F21-H50 HydrophobicContact CB-CB 4.1Å; F21-H50 HydrophobicContact CD1-CB 3.91Å; F21-H50 AromaticContact CD1-CD2 3.52Å; F21-H50 AromaticContact CD1-CG 3.71Å; F21-H50 HydrophobicContact CD2-CB 3.39Å; F21-H50 AromaticContact CD2-CG 3.81Å; F21-H50 HydrophobicContact CE1-CB 4.13Å; F21-H50 AromaticContact CE1-CD2 3.31Å; F21-H50 WeakPolarHBondContact CE1-CD2 3.26Å; F21-H50 AromaticContact CE1-CE1 3.79Å; F21-H50 AromaticContact CE1-CG 3.49Å; F21-H50 VanDerWaalsContact CE1-CG 3.49Å; F21-H50 AromaticContact CE1-ND1 3.78Å; F21-H50 AromaticContact CE1-NE2 3.54Å; F21-H50 HydrophobicContact CE2-CB 3.63Å; F21-H50 AromaticContact CE2-CG 3.6Å; F21-H50 AromaticContact CE2-ND1 3.65Å; F21-H50 HydrophobicContact CG-CB 3.53Å; F21-H50 AromaticContact CG-CG 3.86Å; F21-H50 HydrophobicContact CZ-CB 3.99Å; F21-H50 AromaticContact CZ-CD2 3.73Å; F21-H50 AromaticContact CZ-CE1 3.59Å; F21-H50 AromaticContact CZ-CG 3.43Å; F21-H50 VanDerWaalsContact CZ-CG 3.43Å; F21-H50 AromaticContact CZ-ND1 3.34Å; F21-H50 VanDerWaalsContact CZ-ND1 3.34Å; F21-H50 WeakPolarHBondContact CZ-ND1 3.47Å; F21-H50 AromaticContact CZ-NE2 3.85Å; C24-H50 WeakPolarHBondContact CB-O 3.38Å; I26-H50 HydrophobicContact CG2-CB 3.93Å; H50-D173 IonicContact CE1-OD1 3.13Å; H50-D173 IonicContact CE1-OD2 2.84Å; H50-D173 IonicContact CG-OD2 3.25Å; H50-D173 IonicContact ND1-OD1 3.35Å; H50-D173 IonicContact ND1-OD2 2.74Å; H50-D173 PolarHBondContact ND1-OD2 3.43Å; H50-D175 VanDerWaalsContact CE1-CB 3.44Å; H50-D175 WeakPolarHBondContact CE1-CB 3.44Å; H50-D175 IonicContact CE1-OD2 3.59Å; H50-D175 IonicContact CG-OD2 3.94Å; H50-D175 PolarHBondContact N-OD2 2.84Å; H50-D175 WeakPolarHBondContact ND1-CB 3.44Å; H50-D175 IonicContact ND1-OD2 2.6Å
51S80.6Confident87.9Confident63 Ų6341.5 Ų41.544%0.44124%0.239SC..SBendtrans-127.9-36.3-174.162.70000113.5D175S51-D175 PolarHBondContact N-OD2 2.74Å; S51-D175 PolarHBondContact OG-OD2 3.01Å
52H71.6Confident87.9Confident94 Ų9440.1 Ų40.144%0.43523%0.23SC..  trans-129.236.5-166.4-68.3-54.4000114.7P54 L55 I58H52-P54 VanDerWaalsContact C-N 3.32Å; H52-P54 WeakPolarHBondContact O-CD 3.46Å; H52-L55 HydrophobicContact CB-CB 4.37Å; H52-L55 HydrophobicContact CB-CD1 3.72Å; H52-L55 HydrophobicContact CB-CG 3.95Å; H52-L55 WeakPolarHBondContact O-CB 3.48Å; H52-L55 PolarHBondContact O-N 2.89Å; H52-I58 HydrophobicContact CB-CD1 4.27Å
53L71.8Confident87.8Confident19 Ų1942 Ų4210%0.09924%0.24CC..THydrogen-bonded Turntrans-46.9-38.4-177.3-77.268.8000116.4S25 N27 L49 L55S25-L53 WeakPolarHBondContact O-CD1 3.48Å; N27-L53 HydrophobicContact CB-CD2 4.07Å; N27-L53 HydrophobicContact CB-CG 4.43Å; L49-L53 HydrophobicContact CB-CD1 3.88Å; L49-L53 HydrophobicContact CB-CG 4.23Å; L53-L55 VanDerWaalsContact C-N 3.34Å
54P71.1Confident87.7Confident100 Ų10044.9 Ų44.965%0.64926%0.257SS*.THydrogen-bonded Turntrans-81.8-4.8179.930-32.8000114.6H52 A56H52-P54 VanDerWaalsContact C-N 3.32Å; H52-P54 WeakPolarHBondContact O-CD 3.46Å; P54-A56 PolarHBondContact O-N 3.14Å; P54-A56 VanDerWaalsContact O-N 3.13Å
55L74.1Confident87.7Confident81 Ų8147.9 Ų47.942%0.42427%0.271SS..  trans-78.5100.3-178.6-62.2-169.6000111H52 L53 P57 I58 T59H52-L55 HydrophobicContact CB-CB 4.37Å; H52-L55 HydrophobicContact CB-CD1 3.72Å; H52-L55 HydrophobicContact CB-CG 3.95Å; H52-L55 WeakPolarHBondContact O-CB 3.48Å; H52-L55 PolarHBondContact O-N 2.89Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L55-P57 VanDerWaalsContact C-N 3.34Å; L55-I58 HydrophobicContact CB-CD1 4.47Å; L55-I58 HydrophobicContact CD1-CD1 4.21Å; L55-I58 PolarHBondContact O-N 3.41Å; L55-T59 PolarHBondContact O-N 2.98Å; L55-T59 PolarHBondContact O-OG1 3.5Å
56A78.8Confident87.6Confident58 Ų5847.9 Ų47.948%0.47927%0.271SS..Hα-helixtrans-50.4-40.1-178.100000115.4P54 I58 T59 Q60P54-A56 PolarHBondContact O-N 3.14Å; P54-A56 VanDerWaalsContact O-N 3.13Å; A56-I58 PolarHBondContact O-N 2.93Å; A56-T59 PolarHBondContact O-N 2.84Å; A56-Q60 WeakPolarHBondContact O-CB 3.35Å; A56-Q60 VanDerWaalsContact O-CG 3.26Å; A56-Q60 WeakPolarHBondContact O-CG 3.3Å; A56-Q60 PolarHBondContact O-N 3.25Å
57P86.1Confident87.4Confident94 Ų9451.3 Ų51.361%0.6129%0.29SS*.Hα-helixtrans-63.6-42.5-177.6-2435.2000113.6L55 Q60 L61L55-P57 VanDerWaalsContact C-N 3.34Å; P57-Q60 PolarHBondContact O-N 3.07Å; P57-L61 PolarHBondContact O-N 2.6Å
58I87.1Confident87.4Confident40 Ų4054.8 Ų54.821%0.20531%0.311CS..Hα-helixtrans-68.9-45.1-178.6-59.3177.2000109.5L49 H52 L55 A56 Q60 L61 A62 L178L49-I58 HydrophobicContact CD1-CG2 4.4Å; L49-I58 HydrophobicContact CD2-CG2 3.56Å; H52-I58 HydrophobicContact CB-CD1 4.27Å; L55-I58 HydrophobicContact CB-CD1 4.47Å; L55-I58 HydrophobicContact CD1-CD1 4.21Å; L55-I58 PolarHBondContact O-N 3.41Å; A56-I58 PolarHBondContact O-N 2.93Å; I58-Q60 VanDerWaalsContact C-N 3.31Å; I58-Q60 PolarHBondContact O-N 3.05Å; I58-L61 PolarHBondContact O-N 3.31Å; I58-A62 WeakPolarHBondContact O-CB 3.46Å; I58-A62 PolarHBondContact O-N 3.36Å; I58-L178 HydrophobicContact CG2-CD1 3.79Å
59T86.6Confident87.4Confident10 Ų1056.7 Ų56.76%0.06132%0.318CS..Hα-helixtrans-59.2-40.9175.7-57.30000112.2L55 A56 A62 L63 I99L55-T59 PolarHBondContact O-N 2.98Å; L55-T59 PolarHBondContact O-OG1 3.5Å; A56-T59 PolarHBondContact O-N 2.84Å; T59-A62 PolarHBondContact O-N 2.89Å; T59-L63 HydrophobicContact CG2-CD1 3.99Å; T59-L63 HydrophobicContact CG2-CG 4.48Å; T59-L63 WeakPolarHBondContact O-CB 3.3Å; T59-L63 VanDerWaalsContact O-CG 3.26Å; T59-L63 WeakPolarHBondContact O-CG 3.38Å; T59-L63 PolarHBondContact O-N 3.24Å; T59-I99 HydrophobicContact CG2-CD1 3.72Å; T59-I99 HydrophobicContact CG2-CG1 4.17Å
60Q88.8Confident87.5Confident126 Ų12656.7 Ų56.759%0.58932%0.318SS*.Hα-helixtrans-66.7-41.8177.4-76.8175.7-5.500112.5A56 P57 I58 T64A56-Q60 WeakPolarHBondContact O-CB 3.35Å; A56-Q60 VanDerWaalsContact O-CG 3.26Å; A56-Q60 WeakPolarHBondContact O-CG 3.3Å; A56-Q60 PolarHBondContact O-N 3.25Å; P57-Q60 PolarHBondContact O-N 3.07Å; I58-Q60 VanDerWaalsContact C-N 3.31Å; I58-Q60 PolarHBondContact O-N 3.05Å; Q60-T64 WeakPolarHBondContact O-CB 3.38Å; Q60-T64 PolarHBondContact O-N 2.97Å; Q60-T64 PolarHBondContact O-OG1 3.34Å
61L92.1Very high87.5Confident87 Ų8758.2 Ų58.246%0.45534%0.337SS..Hα-helixtrans-59.9-49.8174.8176.962.6000110.7P57 I58 T64 Q65 F174 L178P57-L61 PolarHBondContact O-N 2.6Å; I58-L61 PolarHBondContact O-N 3.31Å; L61-T64 PolarHBondContact O-N 2.75Å; L61-Q65 PolarHBondContact O-N 2.86Å; L61-F174 HydrophobicContact CD2-CE1 4.46Å; L61-F174 HydrophobicContact CG-CE1 4.32Å; L61-F174 HydrophobicContact CG-CZ 4.38Å; L61-L178 HydrophobicContact CD2-CD2 4.1Å
62A92.3Very high88.2Confident0 Ų062.1 Ų62.10%035%0.348CS..Hα-helixtrans-57.5-50.9177.800000112.5L48 I58 T59 T64 Q65 V66 F174L48-A62 HydrophobicContact CD1-CB 4.19Å; L48-A62 HydrophobicContact CD2-CB 3.79Å; I58-A62 WeakPolarHBondContact O-CB 3.46Å; I58-A62 PolarHBondContact O-N 3.36Å; T59-A62 PolarHBondContact O-N 2.89Å; A62-T64 VanDerWaalsContact C-N 3.3Å; A62-T64 PolarHBondContact O-N 3.38Å; A62-Q65 PolarHBondContact O-N 3.16Å; A62-V66 WeakPolarHBondContact O-CB 3.23Å; A62-V66 VanDerWaalsContact O-CG2 3.29Å; A62-V66 WeakPolarHBondContact O-CG2 3.34Å; A62-V66 PolarHBondContact O-N 2.76Å; A62-F174 HydrophobicContact CB-CD1 3.67Å; A62-F174 HydrophobicContact CB-CD2 4.4Å; A62-F174 HydrophobicContact CB-CE1 3.7Å; A62-F174 HydrophobicContact CB-CE2 4.43Å; A62-F174 HydrophobicContact CB-CG 4.02Å; A62-F174 HydrophobicContact CB-CZ 4.09Å
63L91.9Very high89.3Confident41 Ų4160.3 Ų60.322%0.21534%0.343CS..Hα-helixtrans-56.6-44.8177-76165.9000111.5L29 T59 D67L29-L63 HydrophobicContact CD1-CD2 3.87Å; L29-L63 HydrophobicContact CD2-CD2 3.63Å; L29-L63 HydrophobicContact CG-CD2 4.38Å; T59-L63 HydrophobicContact CG2-CD1 3.99Å; T59-L63 HydrophobicContact CG2-CG 4.48Å; T59-L63 WeakPolarHBondContact O-CB 3.3Å; T59-L63 VanDerWaalsContact O-CG 3.26Å; T59-L63 WeakPolarHBondContact O-CG 3.38Å; T59-L63 PolarHBondContact O-N 3.24Å; L63-D67 VanDerWaalsContact O-CB 3.23Å; L63-D67 WeakPolarHBondContact O-CB 3.48Å; L63-D67 PolarHBondContact O-N 3.33Å
64T94.5Very high90.3Very high88 Ų8867 Ų6754%0.5437%0.374SS..Hα-helixtrans-64.5-45.3-179.7-55.40000111.4Q60 L61 A62 D67 V68Q60-T64 WeakPolarHBondContact O-CB 3.38Å; Q60-T64 PolarHBondContact O-N 2.97Å; Q60-T64 PolarHBondContact O-OG1 3.34Å; L61-T64 PolarHBondContact O-N 2.75Å; A62-T64 VanDerWaalsContact C-N 3.3Å; A62-T64 PolarHBondContact O-N 3.38Å; T64-D67 PolarHBondContact O-N 2.84Å; T64-V68 WeakPolarHBondContact O-CG2 3.29Å; T64-V68 PolarHBondContact O-N 3.43Å
65Q96.1Very high91.4Very high66 Ų6664.2 Ų64.231%0.30835%0.352SS..Hα-helixtrans-67.8-41.6-178.7-173.2167.4-9.600111.9L61 A62 W69 F174 W185L61-Q65 PolarHBondContact O-N 2.86Å; A62-Q65 PolarHBondContact O-N 3.16Å; Q65-W69 WeakPolarHBondContact O-CB 3.31Å; Q65-W69 PolarHBondContact O-N 2.91Å; Q65-F174 HydrophobicContact CB-CE2 4.13Å; Q65-F174 HydrophobicContact CB-CZ 4.17Å; Q65-F174 HydrophobicContact CG-CE2 4.22Å; Q65-W185 HydrophobicContact CG-CZ2 3.9Å
66V96.6Very high92.4Very high0 Ų067.2 Ų67.20%036%0.358CS..Hα-helixtrans-66.2-39.7176176.80000111.1L29 L31 V46 L48 A62 W69 C70 I77 W185L29-V66 HydrophobicContact CD1-CB 3.84Å; L29-V66 HydrophobicContact CD1-CG1 3.76Å; L29-V66 HydrophobicContact CD1-CG2 4.03Å; L31-V66 HydrophobicContact CD2-CG1 4.21Å; V46-V66 HydrophobicContact CB-CG2 4.42Å; V46-V66 HydrophobicContact CG1-CG2 3.94Å; V46-V66 HydrophobicContact CG2-CG1 4.19Å; V46-V66 HydrophobicContact CG2-CG2 4.49Å; L48-V66 HydrophobicContact CD2-CG2 4.27Å; A62-V66 WeakPolarHBondContact O-CB 3.23Å; A62-V66 VanDerWaalsContact O-CG2 3.29Å; A62-V66 WeakPolarHBondContact O-CG2 3.34Å; A62-V66 PolarHBondContact O-N 2.76Å; V66-W69 PolarHBondContact O-N 3.31Å; V66-C70 WeakPolarHBondContact O-CB 3.47Å; V66-C70 PolarHBondContact O-N 2.94Å; V66-C70 PolarHBondContact O-SG 2.92Å; V66-I77 HydrophobicContact CG1-CD1 4.15Å; V66-I77 HydrophobicContact CG1-CG1 4.17Å; V66-W185 HydrophobicContact CG2-CE3 4.33Å; V66-W185 HydrophobicContact CG2-CH2 4.01Å; V66-W185 HydrophobicContact CG2-CZ3 3.75Å
67D94.9Very high93.2Very high74 Ų7464.9 Ų64.940%0.39634%0.338SS..Hα-helixtrans-62.5-46.3177.6-171.452.8000112L63 T64 W69 C70 A71 I77L63-D67 VanDerWaalsContact O-CB 3.23Å; L63-D67 WeakPolarHBondContact O-CB 3.48Å; L63-D67 PolarHBondContact O-N 3.33Å; T64-D67 PolarHBondContact O-N 2.84Å; D67-W69 VanDerWaalsContact C-N 3.33Å; D67-W69 PolarHBondContact O-N 2.74Å; D67-C70 WeakPolarHBondContact O-CB 3.29Å; D67-C70 PolarHBondContact O-N 3.22Å; D67-A71 PolarHBondContact O-N 3.31Å; D67-I77 HydrophobicContact CB-CD1 4.26Å
68V96.6Very high93.7Very high73 Ų7360.6 Ų60.644%0.44231%0.31SS..Hα-helixtrans-59.1-44.8175.11710000111.3T64 A71 Q72T64-V68 WeakPolarHBondContact O-CG2 3.29Å; T64-V68 PolarHBondContact O-N 3.43Å; V68-A71 PolarHBondContact O-N 3.06Å; V68-Q72 WeakPolarHBondContact O-CG 3.49Å; V68-Q72 PolarHBondContact O-N 3.37Å
69W96.7Very high94.1Very high40 Ų4058.7 Ų58.715%0.15230%0.3CS..Hα-helixtrans-66.8-38.6178.3177.381.4000112.5L31 Q65 V66 D67 A71 Q72 T73 Q75 W185 T186L31-W69 HydrophobicContact CD1-CE3 4.45Å; L31-W69 HydrophobicContact CD1-CH2 4.4Å; L31-W69 HydrophobicContact CD1-CZ3 3.58Å; Q65-W69 WeakPolarHBondContact O-CB 3.31Å; Q65-W69 PolarHBondContact O-N 2.91Å; V66-W69 PolarHBondContact O-N 3.31Å; D67-W69 VanDerWaalsContact C-N 3.33Å; D67-W69 PolarHBondContact O-N 2.74Å; W69-A71 VanDerWaalsContact C-N 3.34Å; W69-A71 PolarHBondContact O-N 3.25Å; W69-Q72 PolarHBondContact O-N 3.49Å; W69-T73 HydrophobicContact CD2-CG2 4.21Å; W69-T73 HydrophobicContact CG-CG2 4.49Å; W69-T73 HydrophobicContact CZ2-CG2 3.96Å; W69-T73 WeakPolarHBondContact O-CG2 3.49Å; W69-T73 PolarHBondContact O-N 3.22Å; W69-T73 PolarHBondContact O-OG1 3.09Å; W69-Q75 VanDerWaalsContact CH2-OE1 3.3Å; W69-W185 HydrophobicContact CB-CH2 3.67Å; W69-W185 HydrophobicContact CB-CZ2 4.26Å; W69-W185 AromaticContact CD2-CH2 3.93Å; W69-W185 HydrophobicContact CD2-CH2 3.93Å; W69-W185 HydrophobicContact CD2-CZ3 4.31Å; W69-W185 HydrophobicContact CE3-CH2 4.21Å; W69-W185 HydrophobicContact CE3-CZ3 4.26Å; W69-W185 AromaticContact CG-CH2 3.7Å; W69-W185 HydrophobicContact CG-CH2 3.7Å; W69-W185 HydrophobicContact CG-CZ2 4.38Å; W69-T186 HydrophobicContact CD2-CG2 4.17Å; W69-T186 HydrophobicContact CZ2-CG2 3.86Å
70C95.6Very high94.7Very high1 Ų158.3 Ų58.31%0.00730%0.297CS..Hα-helixtrans-60-45174.8-74.60000111V66 D67 Q72 T73 Q74 Q75V66-C70 WeakPolarHBondContact O-CB 3.47Å; V66-C70 PolarHBondContact O-N 2.94Å; V66-C70 PolarHBondContact O-SG 2.92Å; D67-C70 WeakPolarHBondContact O-CB 3.29Å; D67-C70 PolarHBondContact O-N 3.22Å; C70-Q72 VanDerWaalsContact C-N 3.27Å; C70-Q72 PolarHBondContact O-N 2.85Å; C70-T73 PolarHBondContact O-N 3.39Å; C70-T73 PolarHBondContact O-OG1 2.91Å; C70-Q74 PolarHBondContact O-N 2.83Å; C70-Q75 CarbonylContact C-O 3.45Å; C70-Q75 HydrophobicContact CB-CB 4.2Å; C70-Q75 WeakPolarHBondContact CB-O 3.4Å; C70-Q75 PolarHBondContact O-N 2.85Å
71A93.9Very high95.1Very high68 Ų6852.3 Ų52.356%0.56227%0.269SS*.Hα-helixtrans-59.8-37.9176.500000112.4D67 V68 W69D67-A71 PolarHBondContact O-N 3.31Å; V68-A71 PolarHBondContact O-N 3.06Å; W69-A71 VanDerWaalsContact C-N 3.34Å; W69-A71 PolarHBondContact O-N 3.25Å
72Q95.8Very high95.3Very high145 Ų14548.3 Ų48.368%0.67825%0.248SC*.Hα-helixtrans-72.2-31.2177.8-69.1172.4-300113.2V68 W69 C70V68-Q72 WeakPolarHBondContact O-CG 3.49Å; V68-Q72 PolarHBondContact O-N 3.37Å; W69-Q72 PolarHBondContact O-N 3.49Å; C70-Q72 VanDerWaalsContact C-N 3.27Å; C70-Q72 PolarHBondContact O-N 2.85Å
73T94.3Very high95.5Very high55 Ų5548.9 Ų48.934%0.33725%0.253SS..Hα-helixtrans-102.49.5-175.158.70000114.1W69 C70 Q75W69-T73 HydrophobicContact CD2-CG2 4.21Å; W69-T73 HydrophobicContact CG-CG2 4.49Å; W69-T73 HydrophobicContact CZ2-CG2 3.96Å; W69-T73 WeakPolarHBondContact O-CG2 3.49Å; W69-T73 PolarHBondContact O-N 3.22Å; W69-T73 PolarHBondContact O-OG1 3.09Å; C70-T73 PolarHBondContact O-N 3.39Å; C70-T73 PolarHBondContact O-OG1 2.91Å; T73-Q75 VanDerWaalsContact C-N 3.26Å; T73-Q75 PolarHBondContact O-N 3.25Å
74Q92.7Very high95.7Very high160 Ų16047.7 Ų47.775%0.74825%0.247SC*.THydrogen-bonded Turntrans57.839.5-176.7-58.6-67.9-67.300112.6C70C70-Q74 PolarHBondContact O-N 2.83Å
75Q93.7Very high95.6Very high41 Ų4146 Ų4619%0.19224%0.242CC..  trans-114.8172.7174.2-60.2-173.6-0.800110.5S32 W69 C70 T73S32-Q75 CarbonylContact O-C 3.52Å; S32-Q75 WeakPolarHBondContact O-CA 3.36Å; W69-Q75 VanDerWaalsContact CH2-OE1 3.3Å; C70-Q75 CarbonylContact C-O 3.45Å; C70-Q75 HydrophobicContact CB-CB 4.2Å; C70-Q75 WeakPolarHBondContact CB-O 3.4Å; C70-Q75 PolarHBondContact O-N 2.85Å; T73-Q75 VanDerWaalsContact C-N 3.26Å; T73-Q75 PolarHBondContact O-N 3.25Å
76R95Very high95.4Very high144 Ų14446.2 Ų46.254%0.54325%0.25SS..EExtended strand (participates in β ladder)trans-146.2146.8174.3-176.2-177.2-66.2-168.20.4110.7L31 S32 V78L31-R76 WeakPolarHBondContact CA-O 3.28Å; S32-R76 PolarHBondContact N-O 3.45Å; S32-R76 PolarHBondContact O-N 3.02Å; R76-V78 PolarHBondContact O-N 3.3Å
77I96.5Very high94.9Very high10 Ų1048.7 Ų48.75%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-70.7118.5166.9-57.4165.1000109.3L29 L30 L31 V66 D67 I103L29-I77 HydrophobicContact CB-CG2 4.36Å; L29-I77 HydrophobicContact CD1-CD1 4.04Å; L29-I77 HydrophobicContact CD1-CG1 4.45Å; L29-I77 HydrophobicContact CD2-CG2 4.14Å; L30-I77 CarbonylContact O-C 3.58Å; L30-I77 WeakPolarHBondContact O-CA 3.34Å; L31-I77 HydrophobicContact CD2-CB 4.42Å; L31-I77 HydrophobicContact CD2-CG1 3.86Å; V66-I77 HydrophobicContact CG1-CD1 4.15Å; V66-I77 HydrophobicContact CG1-CG1 4.17Å; D67-I77 HydrophobicContact CB-CD1 4.26Å; I77-I103 HydrophobicContact CG2-CD1 3.94Å; I77-I103 HydrophobicContact CG2-CG1 4.05Å; I77-I103 HydrophobicContact CG2-CG2 3.96Å
78V95.9Very high94.6Very high4 Ų449.4 Ų49.42%0.02428%0.281CS..EExtended strand (participates in β ladder)trans-115.3-0.6-178.8-64.80000113.3L30 S32 V40 V42 R76 F107 A110 V111L30-V78 HydrophobicContact CB-CG2 4.28Å; L30-V78 WeakPolarHBondContact O-CG2 3.12Å; L30-V78 PolarHBondContact O-N 2.92Å; S32-V78 VanDerWaalsContact CB-CG1 3.48Å; V40-V78 HydrophobicContact CG1-CB 4.18Å; V40-V78 HydrophobicContact CG1-CG2 4.29Å; V42-V78 HydrophobicContact CG2-CG2 4.14Å; R76-V78 PolarHBondContact O-N 3.3Å; V78-F107 HydrophobicContact CB-CD1 3.88Å; V78-F107 HydrophobicContact CB-CE1 3.61Å; V78-F107 HydrophobicContact CB-CZ 4.18Å; V78-F107 HydrophobicContact CG1-CD1 4.04Å; V78-F107 HydrophobicContact CG1-CD2 4.49Å; V78-F107 HydrophobicContact CG1-CE1 3.75Å; V78-F107 HydrophobicContact CG1-CE2 4.22Å; V78-F107 HydrophobicContact CG1-CG 4.41Å; V78-F107 HydrophobicContact CG1-CZ 3.84Å; V78-A110 VanDerWaalsContact O-CA 3.28Å; V78-A110 WeakPolarHBondContact O-CA 3.48Å; V78-V111 PolarHBondContact O-N 2.92Å; V78-V111 VanDerWaalsContact O-N 3.17Å
79G96.6Very high94.5Very high0 Ų049.1 Ų49.10%028%0.277CS..EExtended strand (participates in β ladder)trans175.4-173.9178.900000114L30 V111L30-G79 PolarHBondContact N-O 3.44Å; L30-G79 PolarHBondContact O-N 3.38Å; G79-V111 CarbonylContact C-O 3.47Å; G79-V111 WeakPolarHBondContact CA-O 3.24Å
80Y97.8Very high94.3Very high1 Ų148.2 Ų48.20%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-135.9145.4-178.8174.5-91.6000109.4N27 G28 L29 Q82 A96 I99 V111 L112 L113N27-Y80 HydrophobicContact CB-CE1 4.37Å; N27-Y80 HydrophobicContact CB-CE2 3.72Å; N27-Y80 VanDerWaalsContact CB-CZ 3.48Å; N27-Y80 WeakPolarHBondContact CB-OH 3.45Å; N27-Y80 PolarHBondContact ND2-OH 2.98Å; G28-Y80 WeakPolarHBondContact O-CA 3.37Å; G28-Y80 VanDerWaalsContact O-CD2 3.31Å; G28-Y80 WeakPolarHBondContact O-CD2 3.48Å; L29-Y80 HydrophobicContact CD2-CD2 4.31Å; Y80-Q82 HydrophobicContact CD1-CB 4.49Å; Y80-Q82 HydrophobicContact CE1-CB 3.66Å; Y80-Q82 PolarHBondContact OH-OE1 3.38Å; Y80-A96 HydrophobicContact CD1-CB 4.33Å; Y80-A96 HydrophobicContact CE1-CB 3.64Å; Y80-I99 HydrophobicContact CD2-CB 4.38Å; Y80-I99 HydrophobicContact CD2-CG2 3.67Å; Y80-I99 HydrophobicContact CE2-CB 4.42Å; Y80-I99 HydrophobicContact CE2-CD1 3.8Å; Y80-I99 HydrophobicContact CE2-CG2 4.03Å; Y80-I99 HydrophobicContact CG-CG2 4.27Å; Y80-V111 PolarHBondContact N-O 2.74Å; Y80-L112 HydrophobicContact CD1-CD1 3.56Å; Y80-L112 HydrophobicContact CE1-CD1 4.26Å; Y80-L112 CarbonylContact O-C 3.57Å; Y80-L112 WeakPolarHBondContact O-CA 3.46Å; Y80-L113 PolarHBondContact O-N 2.94Å
81Y97.9Very high94.2Very high0 Ų051 Ų510%030%0.296CS..EExtended strand (participates in β ladder)trans-123.4154.3170.477.1-94.6000111.7M14 H17 I26 N27 G28 L30 C45 P47 L113 L115M14-Y81 HydrophobicContact CB-CE2 4.42Å; M14-Y81 HydrophobicContact CG-CD1 3.76Å; M14-Y81 HydrophobicContact CG-CD2 3.95Å; M14-Y81 HydrophobicContact CG-CE1 3.73Å; M14-Y81 HydrophobicContact CG-CE2 3.95Å; M14-Y81 HydrophobicContact CG-CG 3.85Å; M14-Y81 HydrophobicContact SD-CD1 3.73Å; M14-Y81 HydrophobicContact SD-CD2 4.06Å; M14-Y81 HydrophobicContact SD-CE1 4.33Å; M14-Y81 HydrophobicContact SD-CG 3.56Å; M14-Y81 VanDerWaalsContact SD-CG 3.56Å; H17-Y81 AromaticContact ND1-CE2 3.98Å; H17-Y81 AromaticContact ND1-CZ 3.86Å; H17-Y81 PolarHBondContact ND1-OH 2.83Å; I26-Y81 HydrophobicContact CD1-CE2 4.05Å; N27-Y81 CarbonylContact C-O 3.56Å; N27-Y81 VanDerWaalsContact CA-O 3.25Å; N27-Y81 WeakPolarHBondContact CA-O 3.04Å; N27-Y81 WeakPolarHBondContact CB-O 3.22Å; G28-Y81 VanDerWaalsContact C-CD1 3.46Å; G28-Y81 VanDerWaalsContact C-CE1 3.47Å; G28-Y81 PolarHBondContact N-O 3.48Å; G28-Y81 WeakPolarHBondContact O-CD1 3.11Å; G28-Y81 PolarHBondContact O-N 2.68Å; L30-Y81 HydrophobicContact CD2-CD1 3.76Å; L30-Y81 HydrophobicContact CD2-CG 4.42Å; L30-Y81 HydrophobicContact CG-CD1 4.38Å; C45-Y81 HydrophobicContact CB-CD1 4.41Å; C45-Y81 HydrophobicContact CB-CE1 4.01Å; P47-Y81 VanDerWaalsContact CA-OH 3.26Å; P47-Y81 WeakPolarHBondContact CA-OH 3.38Å; Y81-L113 CarbonylContact C-O 3.59Å; Y81-L113 WeakPolarHBondContact CA-O 3.13Å; Y81-L115 HydrophobicContact CD2-CD1 4.3Å
82Q97.3Very high94.3Very high3 Ų348.8 Ų48.81%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-148.7143.3174.9170.4167-3500111.7I26 N27 Y80 N84 T93 L113 M114 L115I26-Q82 VanDerWaalsContact O-CA 3.29Å; I26-Q82 WeakPolarHBondContact O-CA 3.29Å; N27-Q82 HydrophobicContact CB-CB 4.44Å; Y80-Q82 HydrophobicContact CD1-CB 4.49Å; Y80-Q82 HydrophobicContact CE1-CB 3.66Å; Y80-Q82 PolarHBondContact OH-OE1 3.38Å; Q82-N84 PolarHBondContact NE2-OD1 3.21Å; Q82-T93 PolarHBondContact NE2-OG1 3.42Å; Q82-T93 PolarHBondContact OE1-OG1 2.94Å; Q82-L113 PolarHBondContact N-O 3.48Å; Q82-M114 HydrophobicContact CB-CE 4.14Å; Q82-M114 HydrophobicContact CB-SD 3.9Å; Q82-M114 HydrophobicContact CG-CE 3.91Å; Q82-M114 HydrophobicContact CG-SD 4.28Å; Q82-M114 CarbonylContact O-C 3.34Å; Q82-M114 VanDerWaalsContact O-CA 3.31Å; Q82-M114 WeakPolarHBondContact O-CA 3.3Å; Q82-L115 PolarHBondContact O-N 3.44Å
83A96.4Very high94.2Very high12 Ų1244 Ų4410%0.09926%0.257CS..EExtended strand (participates in β ladder)trans-112.2137.2159.400000108.4S25 I26 L115S25-A83 CarbonylContact C-O 3.57Å; S25-A83 WeakPolarHBondContact CA-O 3.06Å; S25-A83 WeakPolarHBondContact CB-O 3.26Å; I26-A83 HydrophobicContact CD1-CB 4.21Å; I26-A83 HydrophobicContact CG1-CB 3.55Å; I26-A83 PolarHBondContact N-O 3Å; I26-A83 PolarHBondContact O-N 3.38Å; A83-L115 HydrophobicContact CB-CB 3.89Å; A83-L115 HydrophobicContact CB-CD1 4.2Å
84N94.9Very high94.2Very high16 Ų1646.2 Ų46.29%0.08627%0.272CS..  trans-86151.8172.6-69-30.6000110.1Q82 C86 D89 S91Q82-N84 PolarHBondContact NE2-OD1 3.21Å; N84-C86 PolarHBondContact O-N 3.45Å; N84-C86 VanDerWaalsContact O-N 3.16Å; N84-D89 HydrophobicContact CB-CB 4.37Å; N84-D89 WeakPolarHBondContact CB-O 3.34Å; N84-D89 PolarHBondContact ND2-O 3.44Å; N84-S91 PolarHBondContact ND2-O 3.06Å
85A92Very high94.2Very high54 Ų5440.5 Ų40.545%0.44625%0.25SC..SBendtrans-58-27.8175.100000113.3S25S25-A85 PolarHBondContact OG-N 3.41Å
86C92Very high94.2Very high70 Ų7038.6 Ų38.647%0.47324%0.241SC..SBendtrans-88.3113.7170.7-173.60000109.6N84 S88 D89N84-C86 PolarHBondContact O-N 3.45Å; N84-C86 VanDerWaalsContact O-N 3.16Å; C86-S88 PolarHBondContact O-N 3.18Å; C86-S88 VanDerWaalsContact O-N 3.1Å; C86-D89 HydrophobicContact CB-CB 3.96Å; C86-D89 PolarHBondContact O-N 2.93Å
87A87.4Confident94.2Very high52 Ų5234.4 Ų34.443%0.4323%0.229SC..THydrogen-bonded Turntrans-58.3-26.4-17400000114.9G117 S118A87-G117 WeakPolarHBondContact O-CA 3.41Å; A87-G117 PolarHBondContact O-N 3.12Å; A87-G117 VanDerWaalsContact O-N 3.1Å; A87-S118 PolarHBondContact O-N 2.89Å; A87-S118 VanDerWaalsContact O-N 3.08Å
88S88.3Confident94.1Very high89 Ų8941.2 Ų41.262%0.62226%0.258SS*.THydrogen-bonded Turntrans-92-10.1178.355.30000114C86 C90C86-S88 PolarHBondContact O-N 3.18Å; C86-S88 VanDerWaalsContact O-N 3.1Å; S88-C90 PolarHBondContact O-N 3.46Å
89D93.2Very high94Very high66 Ų6641.6 Ų41.635%0.35326%0.26SS..  trans-89.1101179.3-178.37.2000110.8N84 C86 S91N84-D89 HydrophobicContact CB-CB 4.37Å; N84-D89 WeakPolarHBondContact CB-O 3.34Å; N84-D89 PolarHBondContact ND2-O 3.44Å; C86-D89 HydrophobicContact CB-CB 3.96Å; C86-D89 PolarHBondContact O-N 2.93Å; D89-S91 VanDerWaalsContact OD1-CB 3.32Å; D89-S91 WeakPolarHBondContact OD1-CB 3.38Å; D89-S91 PolarHBondContact OD1-N 2.98Å; D89-S91 PolarHBondContact OD1-OG 2.93Å
90C92.7Very high94Very high21 Ų2141.6 Ų41.614%0.14226%0.26CS..  trans-100.419.7176.7-58.80000113S88 M114 D116 V130 Y132S88-C90 PolarHBondContact O-N 3.46Å; C90-M114 HydrophobicContact CB-CB 4.38Å; C90-M114 WeakPolarHBondContact O-CB 3.36Å; C90-M114 WeakPolarHBondContact O-CG 3.42Å; C90-D116 VanDerWaalsContact SG-CA 3.54Å; C90-D116 WeakPolarHBondContact SG-CB 3.48Å; C90-V130 HydrophobicContact CB-CB 4.32Å; C90-V130 HydrophobicContact CB-CG2 3.86Å; C90-Y132 PolarHBondContact O-OH 3.5Å
91S95.1Very high93.8Very high59 Ų5943.8 Ų43.841%0.41327%0.272SS..PPolyproline II helixtrans-84.2132.4178.370.20000111.1N84 D89 T93 M114N84-S91 PolarHBondContact ND2-O 3.06Å; D89-S91 VanDerWaalsContact OD1-CB 3.32Å; D89-S91 WeakPolarHBondContact OD1-CB 3.38Å; D89-S91 PolarHBondContact OD1-N 2.98Å; D89-S91 PolarHBondContact OD1-OG 2.93Å; S91-T93 PolarHBondContact O-N 3.29Å; S91-M114 VanDerWaalsContact O-CE 3.31Å; S91-M114 WeakPolarHBondContact O-CE 3.5Å
92P95.4Very high93.7Very high23 Ų2349.3 Ų49.315%0.14930%0.296CS..PPolyproline II helixtrans-62.8131.5173.6-24.333.7000111.8A96 L97 L112 M114 Y132P92-A96 HydrophobicContact CB-CB 4.28Å; P92-L97 HydrophobicContact CB-CD2 3.86Å; P92-L97 HydrophobicContact CB-CG 4.05Å; P92-L97 HydrophobicContact CG-CD2 4.44Å; P92-L112 HydrophobicContact CB-CD2 3.81Å; P92-L112 HydrophobicContact CG-CD2 3.75Å; P92-L112 HydrophobicContact CG-CG 4.41Å; P92-M114 HydrophobicContact CB-SD 4.15Å; P92-M114 HydrophobicContact CG-CG 3.89Å; P92-M114 HydrophobicContact CG-SD 4.05Å; P92-Y132 VanDerWaalsContact CD-CZ 3.44Å; P92-Y132 WeakPolarHBondContact CD-OH 3.44Å; P92-Y132 HydrophobicContact CG-CD1 4.31Å; P92-Y132 HydrophobicContact CG-CD2 3.8Å; P92-Y132 HydrophobicContact CG-CE1 4.1Å; P92-Y132 HydrophobicContact CG-CE2 3.57Å; P92-Y132 HydrophobicContact CG-CG 4.18Å
93T94.4Very high93.6Very high44 Ų4449.6 Ų49.627%0.2730%0.297SS..PPolyproline II helixtrans-69.3159.2172.363.50000111.7Q82 S91 C95 A96 L97Q82-T93 PolarHBondContact NE2-OG1 3.42Å; Q82-T93 PolarHBondContact OE1-OG1 2.94Å; S91-T93 PolarHBondContact O-N 3.29Å; T93-C95 PolarHBondContact O-N 2.86Å; T93-C95 VanDerWaalsContact O-N 3.14Å; T93-A96 WeakPolarHBondContact O-CB 3Å; T93-A96 PolarHBondContact O-N 2.98Å; T93-A96 PolarHBondContact OG1-N 3.48Å; T93-L97 PolarHBondContact O-N 2.93Å
94P93.4Very high93.5Very high101 Ų10149.5 Ų49.566%0.65630%0.296SS*.Hα-helixtrans-56.6-29.4172.9-26.935.5000114K98P94-K98 WeakPolarHBondContact O-CG 3.36Å; P94-K98 PolarHBondContact O-N 3.2Å
95C91.8Very high93.4Very high41 Ų4154.7 Ų54.728%0.27732%0.32SS..Hα-helixtrans-69.4-46.9174.4-165.90000111.1T93 L97 K98 I99T93-C95 PolarHBondContact O-N 2.86Å; T93-C95 VanDerWaalsContact O-N 3.14Å; C95-L97 VanDerWaalsContact C-N 3.3Å; C95-L97 PolarHBondContact O-N 2.71Å; C95-K98 PolarHBondContact O-N 2.97Å; C95-K98 VanDerWaalsContact O-N 3.16Å; C95-I99 WeakPolarHBondContact O-CG1 3.25Å; C95-I99 PolarHBondContact O-N 3.36Å
96A94.4Very high93.3Very high0 Ų058.7 Ų58.70%033%0.329CS..Hα-helixtrans-54.1-47.3175.600000111.8Y80 P92 T93 K98 I99 A100 L112Y80-A96 HydrophobicContact CD1-CB 4.33Å; Y80-A96 HydrophobicContact CE1-CB 3.64Å; P92-A96 HydrophobicContact CB-CB 4.28Å; T93-A96 WeakPolarHBondContact O-CB 3Å; T93-A96 PolarHBondContact O-N 2.98Å; T93-A96 PolarHBondContact OG1-N 3.48Å; A96-K98 PolarHBondContact O-N 2.93Å; A96-I99 PolarHBondContact O-N 2.64Å; A96-A100 VanDerWaalsContact O-CB 3.26Å; A96-A100 WeakPolarHBondContact O-CB 3.34Å; A96-A100 PolarHBondContact O-N 3.03Å; A96-L112 HydrophobicContact CB-CD1 4.42Å
97L95.6Very high93.3Very high57 Ų5757.2 Ų57.230%0.29832%0.315SS..Hα-helixtrans-61.1-42.2179.3-65.7173.4000112P92 T93 C95 A100 D101 L112 W139P92-L97 HydrophobicContact CB-CD2 3.86Å; P92-L97 HydrophobicContact CB-CG 4.05Å; P92-L97 HydrophobicContact CG-CD2 4.44Å; T93-L97 PolarHBondContact O-N 2.93Å; C95-L97 VanDerWaalsContact C-N 3.3Å; C95-L97 PolarHBondContact O-N 2.71Å; L97-A100 PolarHBondContact O-N 3.41Å; L97-D101 WeakPolarHBondContact O-CB 3.48Å; L97-D101 VanDerWaalsContact O-CG 3.31Å; L97-D101 PolarHBondContact O-N 2.97Å; L97-L112 HydrophobicContact CD2-CD2 3.97Å; L97-W139 HydrophobicContact CD2-CB 3.77Å; L97-W139 HydrophobicContact CD2-CG 3.72Å
98K93.6Very high93.4Very high152 Ų15263.1 Ų63.166%0.66133%0.334SS*.Hα-helixtrans-64.3-42.2176.8-75176.9-179.7-179.30112.7P94 C95 A96 K102P94-K98 WeakPolarHBondContact O-CG 3.36Å; P94-K98 PolarHBondContact O-N 3.2Å; C95-K98 PolarHBondContact O-N 2.97Å; C95-K98 VanDerWaalsContact O-N 3.16Å; A96-K98 PolarHBondContact O-N 2.93Å; K98-K102 WeakPolarHBondContact O-CG 3.21Å; K98-K102 PolarHBondContact O-N 3.29Å; K98-K102 VanDerWaalsContact O-N 3.11Å
99I94.2Very high93.5Very high12 Ų1262.1 Ų62.16%0.06233%0.327CS..Hα-helixtrans-66.5-45.9177.5-63.5166.1000109.5T59 Y80 C95 A96 D101 K102 I103T59-I99 HydrophobicContact CG2-CD1 3.72Å; T59-I99 HydrophobicContact CG2-CG1 4.17Å; Y80-I99 HydrophobicContact CD2-CB 4.38Å; Y80-I99 HydrophobicContact CD2-CG2 3.67Å; Y80-I99 HydrophobicContact CE2-CB 4.42Å; Y80-I99 HydrophobicContact CE2-CD1 3.8Å; Y80-I99 HydrophobicContact CE2-CG2 4.03Å; Y80-I99 HydrophobicContact CG-CG2 4.27Å; C95-I99 WeakPolarHBondContact O-CG1 3.25Å; C95-I99 PolarHBondContact O-N 3.36Å; A96-I99 PolarHBondContact O-N 2.64Å; I99-D101 VanDerWaalsContact C-N 3.34Å; I99-D101 PolarHBondContact O-N 3.08Å; I99-K102 WeakPolarHBondContact O-CB 3.49Å; I99-K102 PolarHBondContact O-N 2.94Å; I99-K102 VanDerWaalsContact O-N 3.1Å; I99-I103 HydrophobicContact CG2-CD1 4.02Å; I99-I103 WeakPolarHBondContact O-CG1 3.48Å; I99-I103 PolarHBondContact O-N 2.88Å
100A95.8Very high93.5Very high1 Ų159.1 Ų59.11%0.00831%0.311CS..Hα-helixtrans-61.2-41.5177.800000111.7A96 L97 K102 I103 A104 L112 W139A96-A100 VanDerWaalsContact O-CB 3.26Å; A96-A100 WeakPolarHBondContact O-CB 3.34Å; A96-A100 PolarHBondContact O-N 3.03Å; L97-A100 PolarHBondContact O-N 3.41Å; A100-K102 VanDerWaalsContact C-N 3.3Å; A100-K102 PolarHBondContact O-N 3.41Å; A100-I103 PolarHBondContact O-N 3.42Å; A100-A104 VanDerWaalsContact O-CB 3.32Å; A100-A104 WeakPolarHBondContact O-CB 3.28Å; A100-A104 PolarHBondContact O-N 2.93Å; A100-L112 HydrophobicContact CB-CB 4.35Å; A100-L112 HydrophobicContact CB-CD2 4.3Å; A100-W139 VanDerWaalsContact C-CZ2 3.43Å; A100-W139 HydrophobicContact CB-CD2 4.38Å; A100-W139 HydrophobicContact CB-CH2 3.77Å; A100-W139 HydrophobicContact CB-CZ2 3.33Å; A100-W139 HydrophobicContact CB-CZ3 4.45Å; A100-W139 WeakPolarHBondContact O-CZ2 3.36Å
101D95.2Very high93.6Very high46 Ų4658.2 Ų58.225%0.24631%0.305CS..Hα-helixtrans-59.1-40.8173.3-81.1-25000112L97 I99 A104 E105 R134 W139L97-D101 WeakPolarHBondContact O-CB 3.48Å; L97-D101 VanDerWaalsContact O-CG 3.31Å; L97-D101 PolarHBondContact O-N 2.97Å; I99-D101 VanDerWaalsContact C-N 3.34Å; I99-D101 PolarHBondContact O-N 3.08Å; D101-A104 PolarHBondContact O-N 3.08Å; D101-E105 WeakPolarHBondContact O-CG 3.37Å; D101-E105 PolarHBondContact O-N 2.84Å; D101-R134 IonicContact OD1-CZ 3.96Å; D101-R134 VanDerWaalsContact OD1-CZ 3.25Å; D101-R134 IonicContact OD1-NE 3.7Å; D101-R134 PolarHBondContact OD1-NE 3.18Å; D101-R134 IonicContact OD1-NH1 3.16Å; D101-R134 IonicContact OD1-NH2 3.46Å; D101-R134 PolarHBondContact OD1-NH2 3.38Å; D101-R134 VanDerWaalsContact OD1-NH2 3.13Å; D101-W139 PolarHBondContact OD1-NE1 3.42Å
102K93.7Very high93.7Very high117 Ų11755.4 Ų55.451%0.50929%0.286SS..Hα-helixtrans-66.8-39.8176.8-74.8-70.2167-1460113K98 I99 A100 A104 E105K98-K102 WeakPolarHBondContact O-CG 3.21Å; K98-K102 PolarHBondContact O-N 3.29Å; K98-K102 VanDerWaalsContact O-N 3.11Å; I99-K102 WeakPolarHBondContact O-CB 3.49Å; I99-K102 PolarHBondContact O-N 2.94Å; I99-K102 VanDerWaalsContact O-N 3.1Å; A100-K102 VanDerWaalsContact C-N 3.3Å; A100-K102 PolarHBondContact O-N 3.41Å; K102-A104 VanDerWaalsContact C-N 3.3Å; K102-E105 WeakPolarHBondContact CD-OE2 3.35Å; K102-E105 IonicContact NZ-OE1 3.49Å; K102-E105 PolarHBondContact NZ-OE1 2.81Å; K102-E105 IonicContact NZ-OE2 3.95Å; K102-E105 PolarHBondContact NZ-OE2 3.17Å; K102-E105 WeakPolarHBondContact O-CB 3.33Å; K102-E105 PolarHBondContact O-N 2.85Å
103I95.2Very high93.7Very high9 Ų954.4 Ų54.45%0.04628%0.279CS..Hα-helixtrans-64.5-41.2173-64.1166.9000109.8L29 I77 I99 A100 E105 Q106 F107 A110L29-I103 HydrophobicContact CD2-CD1 3.89Å; I77-I103 HydrophobicContact CG2-CD1 3.94Å; I77-I103 HydrophobicContact CG2-CG1 4.05Å; I77-I103 HydrophobicContact CG2-CG2 3.96Å; I99-I103 HydrophobicContact CG2-CD1 4.02Å; I99-I103 WeakPolarHBondContact O-CG1 3.48Å; I99-I103 PolarHBondContact O-N 2.88Å; A100-I103 PolarHBondContact O-N 3.42Å; I103-E105 VanDerWaalsContact C-N 3.26Å; I103-E105 PolarHBondContact O-N 2.77Å; I103-Q106 PolarHBondContact O-N 3.45Å; I103-F107 PolarHBondContact O-N 3.42Å; I103-A110 HydrophobicContact CG2-CB 3.87Å
104A94.3Very high93.9Very high9 Ų952.3 Ų52.37%0.07427%0.266CS..Hα-helixtrans-68-21179.900000114.2A100 D101 K102 Q106 F107 A110 W139A100-A104 VanDerWaalsContact O-CB 3.32Å; A100-A104 WeakPolarHBondContact O-CB 3.28Å; A100-A104 PolarHBondContact O-N 2.93Å; D101-A104 PolarHBondContact O-N 3.08Å; K102-A104 VanDerWaalsContact C-N 3.3Å; A104-Q106 PolarHBondContact O-N 2.83Å; A104-F107 WeakPolarHBondContact CA-O 3.43Å; A104-A110 HydrophobicContact CB-CB 3.97Å; A104-W139 HydrophobicContact CB-CZ2 4.17Å
105E92.9Very high93.9Very high126 Ų12647.7 Ų47.759%0.58924%0.236SC*.Hα-helixtrans-65-27.9168.4-72.7169.4-163.800112D101 K102 I103D101-E105 WeakPolarHBondContact O-CG 3.37Å; D101-E105 PolarHBondContact O-N 2.84Å; K102-E105 WeakPolarHBondContact CD-OE2 3.35Å; K102-E105 IonicContact NZ-OE1 3.49Å; K102-E105 PolarHBondContact NZ-OE1 2.81Å; K102-E105 IonicContact NZ-OE2 3.95Å; K102-E105 PolarHBondContact NZ-OE2 3.17Å; K102-E105 WeakPolarHBondContact O-CB 3.33Å; K102-E105 PolarHBondContact O-N 2.85Å; I103-E105 VanDerWaalsContact C-N 3.26Å; I103-E105 PolarHBondContact O-N 2.77Å
106Q90.5Very high94Very high137 Ų13746.3 Ų46.364%0.6423%0.225SC*.Hα-helixtrans-102.1-26.1-179.5-60.4-178-8.200113.1I103 A104I103-Q106 PolarHBondContact O-N 3.45Å; A104-Q106 PolarHBondContact O-N 2.83Å
107F91.4Very high93.7Very high40 Ų4047.7 Ų47.718%0.17524%0.24CC..  trans-139.197.3-179.6-177.3-110.9000110.4V40 V78 I103 A104 S109 A110V40-F107 HydrophobicContact CG1-CE1 4.07Å; V40-F107 HydrophobicContact CG1-CZ 4.28Å; V40-F107 HydrophobicContact CG2-CE1 4.16Å; V40-F107 HydrophobicContact CG2-CZ 4.1Å; V78-F107 HydrophobicContact CB-CD1 3.88Å; V78-F107 HydrophobicContact CB-CE1 3.61Å; V78-F107 HydrophobicContact CB-CZ 4.18Å; V78-F107 HydrophobicContact CG1-CD1 4.04Å; V78-F107 HydrophobicContact CG1-CD2 4.49Å; V78-F107 HydrophobicContact CG1-CE1 3.75Å; V78-F107 HydrophobicContact CG1-CE2 4.22Å; V78-F107 HydrophobicContact CG1-CG 4.41Å; V78-F107 HydrophobicContact CG1-CZ 3.84Å; I103-F107 PolarHBondContact O-N 3.42Å; A104-F107 WeakPolarHBondContact CA-O 3.43Å; F107-S109 WeakPolarHBondContact CE1-O 3.5Å; F107-S109 PolarHBondContact O-N 3.47Å; F107-S109 VanDerWaalsContact O-N 3.08Å; F107-A110 HydrophobicContact CD1-CB 4.05Å; F107-A110 VanDerWaalsContact O-CB 3.24Å; F107-A110 WeakPolarHBondContact O-CB 3.36Å; F107-A110 PolarHBondContact O-N 3.33Å
108E89.6Confident93.4Very high175 Ų17548.5 Ų48.582%0.81825%0.25SS*.THydrogen-bonded Turntrans-54.8-34.1-172.5-174.4179.1179.500113.8A110E108-A110 PolarHBondContact O-N 3.13Å
109S90.8Very high93.1Very high68 Ų6844.1 Ų44.148%0.47623%0.231SC..THydrogen-bonded Turntrans-8724.1178.7-59.20000113.5V40 F107V40-S109 WeakPolarHBondContact CG2-O 3.42Å; F107-S109 WeakPolarHBondContact CE1-O 3.5Å; F107-S109 PolarHBondContact O-N 3.47Å; F107-S109 VanDerWaalsContact O-N 3.08Å
110A93.7Very high92.7Very high3 Ų345 Ų453%0.02524%0.236CC..  trans-59.3143.8-178.700000112.8V78 I103 A104 F107 E108 W139V78-A110 VanDerWaalsContact O-CA 3.28Å; V78-A110 WeakPolarHBondContact O-CA 3.48Å; I103-A110 HydrophobicContact CG2-CB 3.87Å; A104-A110 HydrophobicContact CB-CB 3.97Å; F107-A110 HydrophobicContact CD1-CB 4.05Å; F107-A110 VanDerWaalsContact O-CB 3.24Å; F107-A110 WeakPolarHBondContact O-CB 3.36Å; F107-A110 PolarHBondContact O-N 3.33Å; E108-A110 PolarHBondContact O-N 3.13Å; A110-W139 HydrophobicContact CB-CH2 4.21Å
111V94.7Very high92.1Very high3 Ų347.3 Ų47.32%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-116.3147.8179.7-61.50000111.3V4 L30 V42 V78 G79 Y80 M131V4-V111 HydrophobicContact CG1-CG1 4.29Å; V4-V111 HydrophobicContact CG2-CG1 3.87Å; L30-V111 HydrophobicContact CD1-CG2 3.84Å; V42-V111 HydrophobicContact CG2-CG2 4.43Å; V78-V111 PolarHBondContact O-N 2.92Å; V78-V111 VanDerWaalsContact O-N 3.17Å; G79-V111 CarbonylContact C-O 3.47Å; G79-V111 WeakPolarHBondContact CA-O 3.24Å; Y80-V111 PolarHBondContact N-O 2.74Å; V111-M131 HydrophobicContact CG1-SD 4.46Å
112L96.8Very high91.2Very high0 Ų048.7 Ų48.70%026%0.263CS..EExtended strand (participates in β ladder)trans-120.8117.4175.816561.7000108.7Y80 P92 A96 L97 A100 M114 Y132 W139Y80-L112 HydrophobicContact CD1-CD1 3.56Å; Y80-L112 HydrophobicContact CE1-CD1 4.26Å; Y80-L112 CarbonylContact O-C 3.57Å; Y80-L112 WeakPolarHBondContact O-CA 3.46Å; P92-L112 HydrophobicContact CB-CD2 3.81Å; P92-L112 HydrophobicContact CG-CD2 3.75Å; P92-L112 HydrophobicContact CG-CG 4.41Å; A96-L112 HydrophobicContact CB-CD1 4.42Å; L97-L112 HydrophobicContact CD2-CD2 3.97Å; A100-L112 HydrophobicContact CB-CB 4.35Å; A100-L112 HydrophobicContact CB-CD2 4.3Å; L112-M114 HydrophobicContact CD1-SD 4.43Å; L112-Y132 HydrophobicContact CD2-CG 4.49Å; L112-Y132 HydrophobicContact CG-CD2 4.38Å; L112-Y132 PolarHBondContact N-O 2.89Å; L112-Y132 PolarHBondContact O-N 3.13Å; L112-W139 HydrophobicContact CB-CD2 4.48Å; L112-W139 HydrophobicContact CB-CE3 3.72Å; L112-W139 HydrophobicContact CB-CH2 4.36Å; L112-W139 HydrophobicContact CB-CZ3 3.64Å; L112-W139 HydrophobicContact CD2-CD2 4.19Å; L112-W139 HydrophobicContact CD2-CE3 4.14Å; L112-W139 HydrophobicContact CD2-CG 4.43Å
113L96.8Very high90.6Very high2 Ų250 Ų501%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-106.6127.2-178.6-54.3-174.8000110.5M14 L30 Y80 Y81 Q82 I129 M131M14-L113 HydrophobicContact CE-CD1 4.27Å; M14-L113 HydrophobicContact SD-CD1 4.31Å; L30-L113 HydrophobicContact CD1-CB 4.43Å; L30-L113 HydrophobicContact CD1-CD1 3.48Å; L30-L113 VanDerWaalsContact CD1-CD1 3.48Å; L30-L113 HydrophobicContact CD1-CG 3.6Å; L30-L113 HydrophobicContact CD2-CD1 4.15Å; L30-L113 HydrophobicContact CG-CD1 4.47Å; Y80-L113 PolarHBondContact O-N 2.94Å; Y81-L113 CarbonylContact C-O 3.59Å; Y81-L113 WeakPolarHBondContact CA-O 3.13Å; Q82-L113 PolarHBondContact N-O 3.48Å; L113-I129 HydrophobicContact CB-CG2 4.2Å; L113-I129 HydrophobicContact CD1-CG2 4.41Å; L113-I129 HydrophobicContact CD2-CG2 3.93Å; L113-I129 HydrophobicContact CG-CG2 4.39Å; L113-M131 HydrophobicContact CD2-CB 3.82Å; L113-M131 HydrophobicContact CD2-CE 3.53Å; L113-M131 HydrophobicContact CD2-CG 3.63Å; L113-M131 HydrophobicContact CD2-SD 4.33Å
114M96.8Very high90Very high0 Ų051.8 Ų51.80%029%0.285CS..EExtended strand (participates in β ladder)trans-105.6127168.7-60.5-62-57.300108.6Q82 C90 S91 P92 L112 V130 Y132Q82-M114 HydrophobicContact CB-CE 4.14Å; Q82-M114 HydrophobicContact CB-SD 3.9Å; Q82-M114 HydrophobicContact CG-CE 3.91Å; Q82-M114 HydrophobicContact CG-SD 4.28Å; Q82-M114 CarbonylContact O-C 3.34Å; Q82-M114 VanDerWaalsContact O-CA 3.31Å; Q82-M114 WeakPolarHBondContact O-CA 3.3Å; C90-M114 HydrophobicContact CB-CB 4.38Å; C90-M114 WeakPolarHBondContact O-CB 3.36Å; C90-M114 WeakPolarHBondContact O-CG 3.42Å; S91-M114 VanDerWaalsContact O-CE 3.31Å; S91-M114 WeakPolarHBondContact O-CE 3.5Å; P92-M114 HydrophobicContact CB-SD 4.15Å; P92-M114 HydrophobicContact CG-CG 3.89Å; P92-M114 HydrophobicContact CG-SD 4.05Å; L112-M114 HydrophobicContact CD1-SD 4.43Å; M114-V130 HydrophobicContact CB-CB 4.2Å; M114-V130 PolarHBondContact N-O 3.16Å; M114-V130 PolarHBondContact O-N 3.25Å; M114-Y132 HydrophobicContact CB-CE2 4.39Å; M114-Y132 HydrophobicContact CG-CD2 4.14Å; M114-Y132 HydrophobicContact CG-CE2 3.71Å
115L95.3Very high89.3Confident4 Ų461.8 Ų61.82%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-81.8128.7175.1-64.4179.4000109.9M14 I26 Y81 Q82 A83 M120 P128 I129M14-L115 HydrophobicContact CB-CD1 4.1Å; M14-L115 HydrophobicContact CB-CD2 4.45Å; I26-L115 HydrophobicContact CD1-CD1 4.45Å; Y81-L115 HydrophobicContact CD2-CD1 4.3Å; Q82-L115 PolarHBondContact O-N 3.44Å; A83-L115 HydrophobicContact CB-CB 3.89Å; A83-L115 HydrophobicContact CB-CD1 4.2Å; L115-M120 HydrophobicContact CB-CE 3.75Å; L115-M120 HydrophobicContact CD1-CE 3.91Å; L115-M120 HydrophobicContact CD2-CE 4.28Å; L115-M120 HydrophobicContact CG-CE 4.18Å; L115-P128 CarbonylContact C-O 2.95Å; L115-P128 WeakPolarHBondContact CA-O 3.31Å; L115-I129 HydrophobicContact CD2-CG1 4.18Å
116D92.5Very high88.9Confident11 Ų1159.5 Ų59.56%0.05932%0.316CS..  trans-94.992.4177.9-173.2-12.2000110.1C90 S118 K119 P128C90-D116 VanDerWaalsContact SG-CA 3.54Å; C90-D116 WeakPolarHBondContact SG-CB 3.48Å; D116-S118 PolarHBondContact O-N 3.17Å; D116-S118 VanDerWaalsContact O-N 3.12Å; D116-S118 WeakPolarHBondContact OD1-CB 3.26Å; D116-S118 PolarHBondContact OD1-N 3.3Å; D116-S118 VanDerWaalsContact OD1-N 3.1Å; D116-S118 PolarHBondContact OD1-OG 3.48Å; D116-K119 PolarHBondContact O-N 3.34Å; D116-K119 IonicContact OD2-NZ 2.68Å; D116-K119 PolarHBondContact OD2-NZ 2.86Å; D116-P128 HydrophobicContact CB-CB 4.31Å; D116-P128 PolarHBondContact N-O 2.65Å; D116-P128 VanDerWaalsContact O-CB 3.26Å; D116-P128 WeakPolarHBondContact O-CB 3.32Å
117G89.3Confident88.8Confident30 Ų3054.8 Ų54.831%0.30930%0.297SS..G310 helixtrans-60.2-22-179.200000113.8A87 K119A87-G117 WeakPolarHBondContact O-CA 3.41Å; A87-G117 PolarHBondContact O-N 3.12Å; A87-G117 VanDerWaalsContact O-N 3.1Å; G117-K119 PolarHBondContact O-N 3.43Å
118S88.3Confident88.8Confident73 Ų7353 Ų5351%0.5129%0.289SS..G310 helixtrans-72.1-15175.776.50000113.7A87 D116A87-S118 PolarHBondContact O-N 2.89Å; A87-S118 VanDerWaalsContact O-N 3.08Å; D116-S118 PolarHBondContact O-N 3.17Å; D116-S118 VanDerWaalsContact O-N 3.12Å; D116-S118 WeakPolarHBondContact OD1-CB 3.26Å; D116-S118 PolarHBondContact OD1-N 3.3Å; D116-S118 VanDerWaalsContact OD1-N 3.1Å; D116-S118 PolarHBondContact OD1-OG 3.48Å
119K88.3Confident88.9Confident61 Ų6145.1 Ų45.127%0.26525%0.252SS..G310 helixtrans-115.716.1-179.6-61.2-161.2-17473.20114.1D116 G117 S121 D124 V126 P128D116-K119 PolarHBondContact O-N 3.34Å; D116-K119 IonicContact OD2-NZ 2.68Å; D116-K119 PolarHBondContact OD2-NZ 2.86Å; G117-K119 PolarHBondContact O-N 3.43Å; K119-S121 PolarHBondContact O-N 3.27Å; K119-D124 WeakPolarHBondContact CA-OD2 3.4Å; K119-D124 WeakPolarHBondContact O-CB 3.22Å; K119-V126 HydrophobicContact CD-CG2 4.1Å; K119-P128 HydrophobicContact CB-CB 3.9Å; K119-P128 WeakPolarHBondContact O-CB 3.42Å
120M85.7Confident89.1Confident31 Ų3143 Ų4315%0.15324%0.237CC..  trans-83.57.2179.4-78.2-178161.100113Y15 S18 L115 P128Y15-M120 HydrophobicContact CD2-CE 4.48Å; Y15-M120 HydrophobicContact CD2-CG 4.45Å; Y15-M120 HydrophobicContact CE2-CB 4.21Å; Y15-M120 HydrophobicContact CE2-CG 4.41Å; S18-M120 VanDerWaalsContact OG-CE 3.3Å; S18-M120 WeakPolarHBondContact OG-CE 3.38Å; S18-M120 PolarHBondContact OG-SD 2.92Å; L115-M120 HydrophobicContact CB-CE 3.75Å; L115-M120 HydrophobicContact CD1-CE 3.91Å; L115-M120 HydrophobicContact CD2-CE 4.28Å; L115-M120 HydrophobicContact CG-CE 4.18Å; M120-P128 HydrophobicContact CE-CG 4.45Å; M120-P128 HydrophobicContact CG-CB 3.85Å; M120-P128 HydrophobicContact CG-CG 3.76Å
121S83.1Confident89.1Confident48 Ų4843 Ų4334%0.33624%0.236SC..SBendtrans-67.8144.4175.8-173.20000110.4K119 D123 D124 Q156K119-S121 PolarHBondContact O-N 3.27Å; S121-D123 PolarHBondContact O-N 3.21Å; S121-D123 VanDerWaalsContact O-N 3.11Å; S121-D123 PolarHBondContact OG-N 2.93Å; S121-D124 WeakPolarHBondContact CB-OD2 3.42Å; S121-D124 PolarHBondContact N-OD2 3.22Å; S121-D124 PolarHBondContact O-N 3.13Å; S121-D124 VanDerWaalsContact O-N 3.08Å; S121-Q156 PolarHBondContact O-NE2 2.89Å
122P76.3Confident89.1Confident75 Ų7544.8 Ų44.849%0.48724%0.243SC..THydrogen-bonded Turntrans-56.2-22.2168.8-24.534.4000113.8D124 Q156P122-D124 VanDerWaalsContact C-N 3.32Å; P122-Q156 PolarHBondContact O-NE2 3.09Å; P122-Q156 VanDerWaalsContact O-NE2 3.16Å
123D81Confident88.9Confident144 Ų14445.3 Ų45.377%0.7725%0.245SC*.THydrogen-bonded Turntrans-77.7-16179.2-64-41.2000113.5S121 R125S121-D123 PolarHBondContact O-N 3.21Å; S121-D123 VanDerWaalsContact O-N 3.11Å; S121-D123 PolarHBondContact OG-N 2.93Å; D123-R125 PolarHBondContact O-N 3.1Å
124D81.6Confident88.7Confident47 Ų4748.8 Ų48.825%0.25126%0.258SS..  trans-76.1121-178.8-77.4-64.8000111K119 S121 P122 V126 Q156K119-D124 WeakPolarHBondContact CA-OD2 3.4Å; K119-D124 WeakPolarHBondContact O-CB 3.22Å; S121-D124 WeakPolarHBondContact CB-OD2 3.42Å; S121-D124 PolarHBondContact N-OD2 3.22Å; S121-D124 PolarHBondContact O-N 3.13Å; S121-D124 VanDerWaalsContact O-N 3.08Å; P122-D124 VanDerWaalsContact C-N 3.32Å; D124-V126 VanDerWaalsContact C-N 3.27Å; D124-V126 PolarHBondContact O-N 3.41Å; D124-Q156 PolarHBondContact O-NE2 3.46Å
125R81.1Confident88.3Confident220 Ų22054.4 Ų54.483%0.8328%0.279SS*.SBendtrans-83.1-1.5-178.1-61-172.2-178.4-150.2-1.3114.4D123 W152D123-R125 PolarHBondContact O-N 3.1Å; R125-W152 PolarHBondContact O-NE1 2.92Å
126V84.3Confident88Confident78 Ų7861.8 Ų61.847%0.47332%0.319SS..SBendtrans-120.2140.9-178.6-650000109.4K119 D124K119-V126 HydrophobicContact CD-CG2 4.1Å; D124-V126 VanDerWaalsContact C-N 3.27Å; D124-V126 PolarHBondContact O-N 3.41Å
127P87.5Confident87.7Confident38 Ų3865.7 Ų65.725%0.24735%0.347CS..  trans-55.8133.4174.4-23.330.4000111.6I129 L149 W152P127-I129 HydrophobicContact CB-CD1 4.39Å; P127-I129 HydrophobicContact CB-CG1 4.32Å; P127-I129 PolarHBondContact O-N 3.04Å; P127-L149 HydrophobicContact CB-CD1 3.65Å; P127-L149 HydrophobicContact CG-CB 4.31Å; P127-L149 HydrophobicContact CG-CD1 3.52Å; P127-L149 HydrophobicContact CG-CG 4.46Å; P127-W152 HydrophobicContact CB-CD2 4.43Å; P127-W152 HydrophobicContact CB-CE3 4.15Å; P127-W152 HydrophobicContact CB-CH2 4.13Å; P127-W152 HydrophobicContact CB-CZ2 4.42Å; P127-W152 HydrophobicContact CB-CZ3 3.99Å; P127-W152 HydrophobicContact CG-CD2 3.73Å; P127-W152 HydrophobicContact CG-CE3 3.74Å; P127-W152 HydrophobicContact CG-CG 4.21Å; P127-W152 HydrophobicContact CG-CH2 4.45Å; P127-W152 HydrophobicContact CG-CZ2 4.46Å; P127-W152 HydrophobicContact CG-CZ3 4.11Å
128P91.2Very high87.8Confident2 Ų271.4 Ų71.41%0.01336%0.363CS..SBendtrans-75.555178.129.8-34.5000111.7Y11 L115 D116 K119 M120Y11-P128 HydrophobicContact CE2-CG 4.18Å; Y11-P128 WeakPolarHBondContact OH-CD 3.42Å; Y11-P128 WeakPolarHBondContact OH-CG 3.48Å; L115-P128 CarbonylContact C-O 2.95Å; L115-P128 WeakPolarHBondContact CA-O 3.31Å; D116-P128 HydrophobicContact CB-CB 4.31Å; D116-P128 PolarHBondContact N-O 2.65Å; D116-P128 VanDerWaalsContact O-CB 3.26Å; D116-P128 WeakPolarHBondContact O-CB 3.32Å; K119-P128 HydrophobicContact CB-CB 3.9Å; K119-P128 WeakPolarHBondContact O-CB 3.42Å; M120-P128 HydrophobicContact CE-CG 4.45Å; M120-P128 HydrophobicContact CG-CB 3.85Å; M120-P128 HydrophobicContact CG-CG 3.76Å
129I92.7Very high88.1Confident9 Ų969.6 Ų69.65%0.04635%0.345CS..EExtended strand (participates in β ladder)trans-128.1128.4-174.2-57-179.8000110L6 Y11 M14 L113 L115 P127 I147 L149L6-I129 HydrophobicContact CD2-CD1 3.36Å; Y11-I129 HydrophobicContact CD2-CD1 4.01Å; Y11-I129 HydrophobicContact CE2-CD1 4.36Å; M14-I129 HydrophobicContact CE-CD1 4.46Å; L113-I129 HydrophobicContact CB-CG2 4.2Å; L113-I129 HydrophobicContact CD1-CG2 4.41Å; L113-I129 HydrophobicContact CD2-CG2 3.93Å; L113-I129 HydrophobicContact CG-CG2 4.39Å; L115-I129 HydrophobicContact CD2-CG1 4.18Å; P127-I129 HydrophobicContact CB-CD1 4.39Å; P127-I129 HydrophobicContact CB-CG1 4.32Å; P127-I129 PolarHBondContact O-N 3.04Å; I129-I147 HydrophobicContact CG2-CD1 4.46Å; I129-L149 HydrophobicContact CD1-CD1 4.09Å
130V94.1Very high88.4Confident24 Ų2469.1 Ų69.115%0.14535%0.348CS..EExtended strand (participates in β ladder)trans-110.2115.4168.7-179.20000107.5C90 M114 Y132 L141C90-V130 HydrophobicContact CB-CB 4.32Å; C90-V130 HydrophobicContact CB-CG2 3.86Å; M114-V130 HydrophobicContact CB-CB 4.2Å; M114-V130 PolarHBondContact N-O 3.16Å; M114-V130 PolarHBondContact O-N 3.25Å; V130-Y132 HydrophobicContact CB-CE2 4.5Å; V130-Y132 HydrophobicContact CG1-CD2 4.44Å; V130-Y132 HydrophobicContact CG1-CE2 3.65Å; V130-L141 HydrophobicContact CG1-CD1 3.34Å
131M94.3Very high88.8Confident3 Ų373 Ų732%0.01537%0.368CS..EExtended strand (participates in β ladder)trans-100.9136.1-176.3-176.8179.3-66.300111.3V4 V111 L113 K142 I147V4-M131 HydrophobicContact CB-CE 3.63Å; V4-M131 HydrophobicContact CB-SD 3.82Å; V4-M131 HydrophobicContact CG1-CE 3.44Å; V4-M131 VanDerWaalsContact CG1-CE 3.44Å; V4-M131 HydrophobicContact CG1-SD 4.08Å; V4-M131 HydrophobicContact CG2-CE 4.16Å; V4-M131 HydrophobicContact CG2-SD 3.67Å; V111-M131 HydrophobicContact CG1-SD 4.46Å; L113-M131 HydrophobicContact CD2-CB 3.82Å; L113-M131 HydrophobicContact CD2-CE 3.53Å; L113-M131 HydrophobicContact CD2-CG 3.63Å; L113-M131 HydrophobicContact CD2-SD 4.33Å; M131-K142 HydrophobicContact CB-CB 4.24Å; M131-K142 HydrophobicContact CG-CB 4.14Å; M131-K142 HydrophobicContact CG-CD 4.12Å; M131-K142 WeakPolarHBondContact O-CB 3.38Å; M131-K142 PolarHBondContact O-N 3.07Å; M131-K142 HydrophobicContact SD-CB 4.43Å; M131-K142 HydrophobicContact SD-CD 3.36Å; M131-K142 WeakPolarHBondContact SD-CD 3.45Å; M131-I147 HydrophobicContact CB-CD1 3.56Å; M131-I147 HydrophobicContact CB-CG1 4.17Å; M131-I147 HydrophobicContact CE-CB 4.22Å; M131-I147 HydrophobicContact CE-CD1 3.91Å; M131-I147 HydrophobicContact CE-CG1 3.61Å; M131-I147 HydrophobicContact CE-CG2 3.86Å; M131-I147 HydrophobicContact SD-CD1 4.37Å; M131-I147 HydrophobicContact SD-CG1 3.97Å
132Y95.1Very high89Confident40 Ų4071.4 Ų71.416%0.15736%0.356CS..EExtended strand (participates in β ladder)trans-114.5141.7170-62.6-101.7000109.4C90 P92 L112 M114 V130 V140 L141C90-Y132 PolarHBondContact O-OH 3.5Å; P92-Y132 VanDerWaalsContact CD-CZ 3.44Å; P92-Y132 WeakPolarHBondContact CD-OH 3.44Å; P92-Y132 HydrophobicContact CG-CD1 4.31Å; P92-Y132 HydrophobicContact CG-CD2 3.8Å; P92-Y132 HydrophobicContact CG-CE1 4.1Å; P92-Y132 HydrophobicContact CG-CE2 3.57Å; P92-Y132 HydrophobicContact CG-CG 4.18Å; L112-Y132 HydrophobicContact CD2-CG 4.49Å; L112-Y132 HydrophobicContact CG-CD2 4.38Å; L112-Y132 PolarHBondContact N-O 2.89Å; L112-Y132 PolarHBondContact O-N 3.13Å; M114-Y132 HydrophobicContact CB-CE2 4.39Å; M114-Y132 HydrophobicContact CG-CD2 4.14Å; M114-Y132 HydrophobicContact CG-CE2 3.71Å; V130-Y132 HydrophobicContact CB-CE2 4.5Å; V130-Y132 HydrophobicContact CG1-CD2 4.44Å; V130-Y132 HydrophobicContact CG1-CE2 3.65Å; Y132-V140 CarbonylContact C-O 3.59Å; Y132-V140 VanDerWaalsContact CA-O 3.24Å; Y132-V140 WeakPolarHBondContact CA-O 3.33Å; Y132-L141 HydrophobicContact CE1-CB 4.4Å
133E92.6Very high89.3Confident12 Ų1272.3 Ų72.36%0.05636%0.356CS..EExtended strand (participates in β ladder)trans-122.8156.6172.368.1-177.2174.200110.3M1 R135 W139 V140 K142M1-E133 VanDerWaalsContact SD-CD 3.52Å; M1-E133 VanDerWaalsContact SD-OE2 3.38Å; E133-R135 HydrophobicContact CG-CG 4.28Å; E133-R135 IonicContact OE1-CZ 2.76Å; E133-R135 IonicContact OE1-NE 3.12Å; E133-R135 PolarHBondContact OE1-NE 2.81Å; E133-R135 IonicContact OE1-NH2 2.74Å; E133-R135 PolarHBondContact OE1-NH2 3.33Å; E133-W139 WeakPolarHBondContact O-CA 3.39Å; E133-V140 HydrophobicContact CG-CG2 4.06Å; E133-V140 PolarHBondContact N-O 3.46Å; E133-V140 PolarHBondContact O-N 3.15Å; E133-K142 HydrophobicContact CG-CB 4.35Å; E133-K142 HydrophobicContact CG-CG 4.28Å; E133-K142 IonicContact OE2-NZ 3.49Å; E133-K142 PolarHBondContact OE2-NZ 2.77Å
134R91.3Very high89.1Confident74 Ų7472.2 Ų72.228%0.27935%0.349SS..EExtended strand (participates in β ladder)trans-87.8118.1179.2-160.1173.2-170.3-171.33.7110.2D101 K138 W139D101-R134 IonicContact OD1-CZ 3.96Å; D101-R134 VanDerWaalsContact OD1-CZ 3.25Å; D101-R134 IonicContact OD1-NE 3.7Å; D101-R134 PolarHBondContact OD1-NE 3.18Å; D101-R134 IonicContact OD1-NH1 3.16Å; D101-R134 IonicContact OD1-NH2 3.46Å; D101-R134 PolarHBondContact OD1-NH2 3.38Å; D101-R134 VanDerWaalsContact OD1-NH2 3.13Å; R134-K138 CarbonylContact C-O 3.59Å; R134-K138 WeakPolarHBondContact CA-O 3.45Å; R134-W139 HydrophobicContact CB-CD2 4.48Å; R134-W139 HydrophobicContact CB-CE3 4.42Å; R134-W139 HydrophobicContact CB-CH2 4.19Å; R134-W139 HydrophobicContact CB-CZ2 4.21Å; R134-W139 HydrophobicContact CB-CZ3 4.3Å; R134-W139 HydrophobicContact CG-CZ2 4.43Å
135R89.3Confident88.7Confident118 Ų11878.3 Ų78.345%0.44538%0.376SS..EExtended strand (participates in β ladder)trans-127.1128.6170.4-63-167.5-170.8176.6-1.4109.3M1 E133 S137 K138 V140M1-R135 HydrophobicContact CE-CG 3.75Å; M1-R135 HydrophobicContact SD-CG 4.47Å; M1-R135 PolarHBondContact SD-NE 3.21Å; M1-R135 PolarHBondContact SD-NH2 2.74Å; E133-R135 HydrophobicContact CG-CG 4.28Å; E133-R135 IonicContact OE1-CZ 2.76Å; E133-R135 IonicContact OE1-NE 3.12Å; E133-R135 PolarHBondContact OE1-NE 2.81Å; E133-R135 IonicContact OE1-NH2 2.74Å; E133-R135 PolarHBondContact OE1-NH2 3.33Å; R135-S137 VanDerWaalsContact C-N 3.26Å; R135-S137 PolarHBondContact O-N 3.4Å; R135-K138 PolarHBondContact N-O 3.44Å; R135-K138 PolarHBondContact O-N 3.12Å; R135-K138 VanDerWaalsContact O-O 3.06Å; R135-V140 HydrophobicContact CB-CG2 3.99Å; R135-V140 HydrophobicContact CG-CG2 3.72Å
136D87.8Confident88.3Confident160 Ų16070 Ų7086%0.85635%0.349SS*.THydrogen-bonded Turntrans49.245.7179.1-55.6-42.5000113.3K138D136-K138 PolarHBondContact O-N 2.9Å
137S86.7Confident88Confident93 Ų9367.7 Ų67.765%0.6533%0.334SS*.THydrogen-bonded Turntrans6314.6-176.5-52.70000115.9R135R135-S137 VanDerWaalsContact C-N 3.26Å; R135-S137 PolarHBondContact O-N 3.4Å
138K91.9Very high87.9Confident149 Ų14969.3 Ų69.365%0.64834%0.339SS*.EExtended strand (participates in β ladder)trans-119.1143175.1-65179.9-178.4176.40111R134 R135 D136R134-K138 CarbonylContact C-O 3.59Å; R134-K138 WeakPolarHBondContact CA-O 3.45Å; R135-K138 PolarHBondContact N-O 3.44Å; R135-K138 PolarHBondContact O-N 3.12Å; R135-K138 VanDerWaalsContact O-O 3.06Å; D136-K138 PolarHBondContact O-N 2.9Å
139W95.2Very high87.5Confident35 Ų3570.2 Ų70.213%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-81.9116171.4-6891.7000109.2L97 A100 D101 A104 A110 L112 E133 R134L97-W139 HydrophobicContact CD2-CB 3.77Å; L97-W139 HydrophobicContact CD2-CG 3.72Å; A100-W139 VanDerWaalsContact C-CZ2 3.43Å; A100-W139 HydrophobicContact CB-CD2 4.38Å; A100-W139 HydrophobicContact CB-CH2 3.77Å; A100-W139 HydrophobicContact CB-CZ2 3.33Å; A100-W139 HydrophobicContact CB-CZ3 4.45Å; A100-W139 WeakPolarHBondContact O-CZ2 3.36Å; D101-W139 PolarHBondContact OD1-NE1 3.42Å; A104-W139 HydrophobicContact CB-CZ2 4.17Å; A110-W139 HydrophobicContact CB-CH2 4.21Å; L112-W139 HydrophobicContact CB-CD2 4.48Å; L112-W139 HydrophobicContact CB-CE3 3.72Å; L112-W139 HydrophobicContact CB-CH2 4.36Å; L112-W139 HydrophobicContact CB-CZ3 3.64Å; L112-W139 HydrophobicContact CD2-CD2 4.19Å; L112-W139 HydrophobicContact CD2-CE3 4.14Å; L112-W139 HydrophobicContact CD2-CG 4.43Å; E133-W139 WeakPolarHBondContact O-CA 3.39Å; R134-W139 HydrophobicContact CB-CD2 4.48Å; R134-W139 HydrophobicContact CB-CE3 4.42Å; R134-W139 HydrophobicContact CB-CH2 4.19Å; R134-W139 HydrophobicContact CB-CZ2 4.21Å; R134-W139 HydrophobicContact CB-CZ3 4.3Å; R134-W139 HydrophobicContact CG-CZ2 4.43Å
140V94.4Very high86.9Confident51 Ų5177.1 Ų77.131%0.30937%0.369SS..EExtended strand (participates in β ladder)trans-119147.6-179.3-62.40000110.2Y132 E133 R135 K142Y132-V140 CarbonylContact C-O 3.59Å; Y132-V140 VanDerWaalsContact CA-O 3.24Å; Y132-V140 WeakPolarHBondContact CA-O 3.33Å; E133-V140 HydrophobicContact CG-CG2 4.06Å; E133-V140 PolarHBondContact N-O 3.46Å; E133-V140 PolarHBondContact O-N 3.15Å; R135-V140 HydrophobicContact CB-CG2 3.99Å; R135-V140 HydrophobicContact CG-CG2 3.72Å; V140-K142 PolarHBondContact O-N 2.87Å
141L93.1Very high86.6Confident112 Ų11282.3 Ų82.359%0.58639%0.392SS*.EExtended strand (participates in β ladder)trans-62.1126.3177.5-177.667.1000109.7V130 Y132V130-L141 HydrophobicContact CG1-CD1 3.34Å; Y132-L141 HydrophobicContact CE1-CB 4.4Å
142K88Confident86.4Confident16 Ų1683.5 Ų83.57%0.0740%0.396CS..PPolyproline II helixtrans-84.9146.6174.4-156.9-172.2-179.31030109.6G2 V4 M131 E133 V140 K144 T146G2-K142 PolarHBondContact O-NZ 3.38Å; V4-K142 HydrophobicContact CG2-CD 4.44Å; M131-K142 HydrophobicContact CB-CB 4.24Å; M131-K142 HydrophobicContact CG-CB 4.14Å; M131-K142 HydrophobicContact CG-CD 4.12Å; M131-K142 WeakPolarHBondContact O-CB 3.38Å; M131-K142 PolarHBondContact O-N 3.07Å; M131-K142 HydrophobicContact SD-CB 4.43Å; M131-K142 HydrophobicContact SD-CD 3.36Å; M131-K142 WeakPolarHBondContact SD-CD 3.45Å; E133-K142 HydrophobicContact CG-CB 4.35Å; E133-K142 HydrophobicContact CG-CG 4.28Å; E133-K142 IonicContact OE2-NZ 3.49Å; E133-K142 PolarHBondContact OE2-NZ 2.77Å; V140-K142 PolarHBondContact O-N 2.87Å; K142-K144 PolarHBondContact O-N 3.16Å; K142-T146 VanDerWaalsContact CD-OG1 3.25Å; K142-T146 WeakPolarHBondContact CD-OG1 3.37Å; K142-T146 WeakPolarHBondContact CE-OG1 3.25Å; K142-T146 WeakPolarHBondContact CG-OG1 3.39Å
143D82.3Confident86.2Confident94 Ų9488.6 Ų88.650%0.50342%0.422SS..PPolyproline II helixtrans-62.9131.5176.5-170.6-56.9000110.7H145 T146D143-H145 PolarHBondContact O-N 3.36Å; D143-H145 VanDerWaalsContact O-N 3.16Å; D143-H145 VanDerWaalsContact OD1-CB 3.3Å; D143-H145 WeakPolarHBondContact OD1-CB 3.16Å; D143-H145 IonicContact OD1-CD2 3.29Å; D143-H145 PolarHBondContact OD1-CD2 3.01Å; D143-H145 IonicContact OD1-CG 2.95Å; D143-H145 PolarHBondContact OD1-N 3.25Å; D143-T146 HydrophobicContact CB-CG2 4.19Å; D143-T146 PolarHBondContact O-N 3.31Å; D143-T146 PolarHBondContact O-OG1 3.05Å
144K76.6Confident86.2Confident141 Ų14192.7 Ų92.761%0.61344%0.441SS*.G310 helixtrans-58.4-29-177.7-66.9-177.4179.1-179.30113.1K142 T146 I147K142-K144 PolarHBondContact O-N 3.16Å; K144-T146 PolarHBondContact O-N 3.37Å; K144-I147 PolarHBondContact O-N 3.28Å
145H73.4Confident86.3Confident176 Ų17689.3 Ų89.382%0.81543%0.428SS*.G310 helixtrans-71.5-9.8179.6-61.3-65.9000113.5D143D143-H145 PolarHBondContact O-N 3.36Å; D143-H145 VanDerWaalsContact O-N 3.16Å; D143-H145 VanDerWaalsContact OD1-CB 3.3Å; D143-H145 WeakPolarHBondContact OD1-CB 3.16Å; D143-H145 IonicContact OD1-CD2 3.29Å; D143-H145 PolarHBondContact OD1-CD2 3.01Å; D143-H145 IonicContact OD1-CG 2.95Å; D143-H145 PolarHBondContact OD1-N 3.25Å
146T72.2Confident86.5Confident45 Ų4585.1 Ų85.128%0.27641%0.414SS..G310 helixtrans-96.7-2.418066.10000113.9V4 K142 D143 K144V4-T146 PolarHBondContact N-O 3.17Å; K142-T146 VanDerWaalsContact CD-OG1 3.25Å; K142-T146 WeakPolarHBondContact CD-OG1 3.37Å; K142-T146 WeakPolarHBondContact CE-OG1 3.25Å; K142-T146 WeakPolarHBondContact CG-OG1 3.39Å; D143-T146 HydrophobicContact CB-CG2 4.19Å; D143-T146 PolarHBondContact O-N 3.31Å; D143-T146 PolarHBondContact O-OG1 3.05Å; K144-T146 PolarHBondContact O-N 3.37Å
147I79.5Confident86.8Confident30 Ų3080.2 Ų80.215%0.15440%0.395CS..EExtended strand (participates in β ladder)trans-91113.9174.4-50.3179.2000107.6I129 M131 K144 L149I129-I147 HydrophobicContact CG2-CD1 4.46Å; M131-I147 HydrophobicContact CB-CD1 3.56Å; M131-I147 HydrophobicContact CB-CG1 4.17Å; M131-I147 HydrophobicContact CE-CB 4.22Å; M131-I147 HydrophobicContact CE-CD1 3.91Å; M131-I147 HydrophobicContact CE-CG1 3.61Å; M131-I147 HydrophobicContact CE-CG2 3.86Å; M131-I147 HydrophobicContact SD-CD1 4.37Å; M131-I147 HydrophobicContact SD-CG1 3.97Å; K144-I147 PolarHBondContact O-N 3.28Å; I147-L149 HydrophobicContact CG2-CD1 4.02Å
148M83.4Confident87.2Confident72 Ų7276.3 Ų76.336%0.35537%0.367SS..EExtended strand (participates in β ladder)trans-98.8102.9177.4-59-171.389.300109.6E3 V4 E5 L6E3-M148 HydrophobicContact CB-SD 4.26Å; E3-M148 HydrophobicContact CG-SD 4.43Å; V4-M148 PolarHBondContact O-N 2.99Å; E5-M148 WeakPolarHBondContact CA-O 3.48Å; E5-M148 HydrophobicContact CB-CB 4.49Å; L6-M148 PolarHBondContact N-O 3.32Å
149L83.5Confident87.4Confident21 Ų2169.3 Ų69.311%0.1134%0.337CS..  trans-102.397.5158.7-86.1124000107.6L6 Y11 P127 I129 I147 W152L6-L149 HydrophobicContact CB-CD1 4.33Å; L6-L149 HydrophobicContact CB-CD2 4.2Å; L6-L149 HydrophobicContact CB-CG 3.98Å; L6-L149 HydrophobicContact CD2-CD1 4.04Å; L6-L149 HydrophobicContact CD2-CD2 3.98Å; L6-L149 HydrophobicContact CD2-CG 4.25Å; L6-L149 HydrophobicContact CG-CD2 4.12Å; L6-L149 HydrophobicContact CG-CG 4.4Å; Y11-L149 HydrophobicContact CD2-CD2 4.5Å; Y11-L149 HydrophobicContact CG-CD2 4.33Å; P127-L149 HydrophobicContact CB-CD1 3.65Å; P127-L149 HydrophobicContact CG-CB 4.31Å; P127-L149 HydrophobicContact CG-CD1 3.52Å; P127-L149 HydrophobicContact CG-CG 4.46Å; I129-L149 HydrophobicContact CD1-CD1 4.09Å; I147-L149 HydrophobicContact CG2-CD1 4.02Å; L149-W152 HydrophobicContact CD2-CE3 4.3Å
150R81.4Confident87.3Confident154 Ų15468.5 Ų68.558%0.58134%0.337SS*.THydrogen-bonded Turntrans-63.9139.4172.3-57.4-173.8-169.8-172.410.6107.7E5E5-R150 VanDerWaalsContact CD-NE 3.34Å; E5-R150 WeakPolarHBondContact OE1-CD 3.26Å; E5-R150 IonicContact OE1-CZ 2.69Å; E5-R150 VanDerWaalsContact OE1-CZ 3.29Å; E5-R150 IonicContact OE1-NE 2.67Å; E5-R150 PolarHBondContact OE1-NE 2.95Å; E5-R150 IonicContact OE1-NH2 2.75Å; E5-R150 PolarHBondContact OE1-NH2 3.28Å; E5-R150 IonicContact OE2-CZ 3.55Å; E5-R150 IonicContact OE2-NE 3.97Å; E5-R150 PolarHBondContact OE2-NE 3.39Å; E5-R150 IonicContact OE2-NH2 3.64Å; E5-R150 PolarHBondContact OE2-NH2 2.91Å
151Q86.9Confident87.4Confident133 Ų13370.8 Ų70.862%0.62134%0.344SS*.THydrogen-bonded Turntrans5851.5175.9-62.2173.5-45.800112.5E154 T155Q151-E154 WeakPolarHBondContact CA-OE2 3.48Å; Q151-E154 HydrophobicContact CB-CB 4.22Å; Q151-E154 HydrophobicContact CB-CG 4.39Å; Q151-E154 WeakPolarHBondContact CB-OE2 3.39Å; Q151-E154 PolarHBondContact O-N 2.94Å; Q151-T155 WeakPolarHBondContact O-CB 3.3Å; Q151-T155 PolarHBondContact O-N 3.49Å; Q151-T155 PolarHBondContact O-OG1 3.02Å
152W89.9Confident87.5Confident27 Ų2765.5 Ų65.510%0.10232%0.316CS..Hα-helixtrans-60-44.7-178.7168.6-115.4000112.2Y11 R125 P127 L149 E154 T155 Q156Y11-W152 AromaticContact CD1-CZ3 3.97Å; Y11-W152 HydrophobicContact CD1-CZ3 3.97Å; Y11-W152 HydrophobicContact CD2-CZ3 4.06Å; Y11-W152 AromaticContact CE1-CH2 3.81Å; Y11-W152 HydrophobicContact CE1-CH2 3.81Å; Y11-W152 AromaticContact CE1-CZ3 3.59Å; Y11-W152 HydrophobicContact CE1-CZ3 3.59Å; Y11-W152 AromaticContact CE2-CH2 3.87Å; Y11-W152 HydrophobicContact CE2-CH2 3.87Å; Y11-W152 AromaticContact CE2-CZ3 3.7Å; Y11-W152 HydrophobicContact CE2-CZ3 3.7Å; Y11-W152 HydrophobicContact CG-CZ3 4.18Å; Y11-W152 AromaticContact CZ-CH2 3.39Å; Y11-W152 AromaticContact CZ-CZ3 3.47Å; Y11-W152 VanDerWaalsContact CZ-CZ3 3.47Å; Y11-W152 WeakPolarHBondContact OH-CH2 3.4Å; R125-W152 PolarHBondContact O-NE1 2.92Å; P127-W152 HydrophobicContact CB-CD2 4.43Å; P127-W152 HydrophobicContact CB-CE3 4.15Å; P127-W152 HydrophobicContact CB-CH2 4.13Å; P127-W152 HydrophobicContact CB-CZ2 4.42Å; P127-W152 HydrophobicContact CB-CZ3 3.99Å; P127-W152 HydrophobicContact CG-CD2 3.73Å; P127-W152 HydrophobicContact CG-CE3 3.74Å; P127-W152 HydrophobicContact CG-CG 4.21Å; P127-W152 HydrophobicContact CG-CH2 4.45Å; P127-W152 HydrophobicContact CG-CZ2 4.46Å; P127-W152 HydrophobicContact CG-CZ3 4.11Å; L149-W152 HydrophobicContact CD2-CE3 4.3Å; W152-E154 VanDerWaalsContact C-N 3.31Å; W152-E154 PolarHBondContact O-N 3.19Å; W152-T155 HydrophobicContact CE3-CG2 4.46Å; W152-T155 HydrophobicContact CZ3-CG2 4.45Å; W152-T155 PolarHBondContact O-N 3.29Å; W152-Q156 HydrophobicContact CH2-CB 4.28Å; W152-Q156 HydrophobicContact CZ2-CB 4.06Å; W152-Q156 HydrophobicContact CZ2-CG 4.19Å; W152-Q156 WeakPolarHBondContact O-CB 3.26Å; W152-Q156 PolarHBondContact O-N 3.28Å
153E90.3Very high87.8Confident148 Ų14867.3 Ų67.369%0.69233%0.326SS*.Hα-helixtrans-61.1-42.5-178.9-64.8-176.3173.700111Q156 A157E153-Q156 PolarHBondContact O-N 2.87Å; E153-A157 WeakPolarHBondContact O-CB 3.41Å; E153-A157 PolarHBondContact O-N 3.47Å
154E92.5Very high88.4Confident97 Ų9770.7 Ų70.745%0.45334%0.339SS..Hα-helixtrans-67.6-42.2176.3-58.291149.500111.5Q151 W152 Q156 A157 I158Q151-E154 WeakPolarHBondContact CA-OE2 3.48Å; Q151-E154 HydrophobicContact CB-CB 4.22Å; Q151-E154 HydrophobicContact CB-CG 4.39Å; Q151-E154 WeakPolarHBondContact CB-OE2 3.39Å; Q151-E154 PolarHBondContact O-N 2.94Å; W152-E154 VanDerWaalsContact C-N 3.31Å; W152-E154 PolarHBondContact O-N 3.19Å; E154-Q156 VanDerWaalsContact C-N 3.35Å; E154-Q156 PolarHBondContact O-N 3.06Å; E154-A157 PolarHBondContact O-N 2.98Å; E154-I158 VanDerWaalsContact O-CG1 3.26Å; E154-I158 WeakPolarHBondContact O-CG1 3.24Å; E154-I158 PolarHBondContact O-N 3.26Å
155T94.2Very high89.3Confident3 Ų367.1 Ų67.12%0.01833%0.332CS..Hα-helixtrans-61.7-42.6176.7-62.70000111.6C8 Y11 V12 Q151 W152 I158 A159C8-T155 HydrophobicContact CB-CG2 4.13Å; Y11-T155 HydrophobicContact CD1-CG2 3.38Å; Y11-T155 HydrophobicContact CE1-CG2 4.23Å; Y11-T155 HydrophobicContact CG-CG2 3.91Å; V12-T155 HydrophobicContact CG2-CG2 4.4Å; Q151-T155 WeakPolarHBondContact O-CB 3.3Å; Q151-T155 PolarHBondContact O-N 3.49Å; Q151-T155 PolarHBondContact O-OG1 3.02Å; W152-T155 HydrophobicContact CE3-CG2 4.46Å; W152-T155 HydrophobicContact CZ3-CG2 4.45Å; W152-T155 PolarHBondContact O-N 3.29Å; T155-I158 PolarHBondContact O-N 3.24Å; T155-A159 WeakPolarHBondContact O-CB 3.45Å; T155-A159 PolarHBondContact O-N 3Å
156Q93.6Very high90.3Very high31 Ų3160.3 Ų60.315%0.14531%0.31CS..Hα-helixtrans-65.9-42.8175.9-175.5178.537.500111.2S121 P122 D124 W152 E153 E154 I158 A159 S160S121-Q156 PolarHBondContact O-NE2 2.89Å; P122-Q156 PolarHBondContact O-NE2 3.09Å; P122-Q156 VanDerWaalsContact O-NE2 3.16Å; D124-Q156 PolarHBondContact O-NE2 3.46Å; W152-Q156 HydrophobicContact CH2-CB 4.28Å; W152-Q156 HydrophobicContact CZ2-CB 4.06Å; W152-Q156 HydrophobicContact CZ2-CG 4.19Å; W152-Q156 WeakPolarHBondContact O-CB 3.26Å; W152-Q156 PolarHBondContact O-N 3.28Å; E153-Q156 PolarHBondContact O-N 2.87Å; E154-Q156 VanDerWaalsContact C-N 3.35Å; E154-Q156 PolarHBondContact O-N 3.06Å; Q156-I158 VanDerWaalsContact C-N 3.34Å; Q156-I158 PolarHBondContact O-N 3.28Å; Q156-A159 PolarHBondContact O-N 2.86Å; Q156-S160 PolarHBondContact O-N 2.89Å; Q156-S160 PolarHBondContact O-OG 2.95Å
157A93.8Very high91.4Very high57 Ų5759.2 Ų59.247%0.47130%0.302SS..Hα-helixtrans-60.1-43.6176.400000111.9E153 E154 S160 Q161E153-A157 WeakPolarHBondContact O-CB 3.41Å; E153-A157 PolarHBondContact O-N 3.47Å; E154-A157 PolarHBondContact O-N 2.98Å; A157-S160 PolarHBondContact O-N 2.68Å; A157-Q161 VanDerWaalsContact O-CB 3.31Å; A157-Q161 WeakPolarHBondContact O-CB 3.46Å; A157-Q161 PolarHBondContact O-N 2.85Å
158I95.5Very high92.1Very high11 Ų1160.2 Ų60.26%0.05631%0.306CS..Hα-helixtrans-62.7-46.1175.6-66.5167.4000110.6V12 E154 T155 Q156 S160 Q161 M162 L197V12-I158 HydrophobicContact CG2-CG2 4.09Å; E154-I158 VanDerWaalsContact O-CG1 3.26Å; E154-I158 WeakPolarHBondContact O-CG1 3.24Å; E154-I158 PolarHBondContact O-N 3.26Å; T155-I158 PolarHBondContact O-N 3.24Å; Q156-I158 VanDerWaalsContact C-N 3.34Å; Q156-I158 PolarHBondContact O-N 3.28Å; I158-S160 PolarHBondContact O-N 2.84Å; I158-Q161 PolarHBondContact O-N 2.88Å; I158-M162 HydrophobicContact CG2-CG 4.38Å; I158-M162 HydrophobicContact CG2-SD 4.24Å; I158-M162 VanDerWaalsContact O-CG 3.3Å; I158-M162 WeakPolarHBondContact O-CG 3.4Å; I158-M162 PolarHBondContact O-N 3.03Å; I158-L197 HydrophobicContact CD1-CB 4.27Å; I158-L197 HydrophobicContact CG1-CB 4.04Å; I158-L197 HydrophobicContact CG2-CB 4.03Å; I158-L197 HydrophobicContact CG2-CD1 4.04Å
159A95.2Very high92.6Very high2 Ų260.4 Ų60.42%0.01732%0.319CS..Hα-helixtrans-59.1-45.7178.600000112.1Y11 V12 Y15 T155 Q156 M162 L163Y11-A159 HydrophobicContact CE1-CB 4.09Å; V12-A159 HydrophobicContact CG2-CB 4.17Å; Y15-A159 HydrophobicContact CD1-CB 3.72Å; Y15-A159 HydrophobicContact CE1-CB 4.04Å; Y15-A159 HydrophobicContact CG-CB 4.2Å; T155-A159 WeakPolarHBondContact O-CB 3.45Å; T155-A159 PolarHBondContact O-N 3Å; Q156-A159 PolarHBondContact O-N 2.86Å; A159-M162 PolarHBondContact O-N 3.27Å; A159-L163 PolarHBondContact O-N 3Å
160S94.5Very high93.1Very high18 Ų1863.1 Ų63.113%0.12633%0.333CS..Hα-helixtrans-63.5-45.9176-63.40000111.8Q156 A157 I158 M162 L163 E164Q156-S160 PolarHBondContact O-N 2.89Å; Q156-S160 PolarHBondContact O-OG 2.95Å; A157-S160 PolarHBondContact O-N 2.68Å; I158-S160 PolarHBondContact O-N 2.84Å; S160-M162 VanDerWaalsContact C-N 3.33Å; S160-M162 PolarHBondContact O-N 2.63Å; S160-L163 WeakPolarHBondContact O-CB 3.48Å; S160-L163 PolarHBondContact O-N 2.75Å; S160-L163 VanDerWaalsContact O-N 3.13Å; S160-E164 WeakPolarHBondContact O-CG 3.26Å; S160-E164 PolarHBondContact O-N 2.83Å
161Q95.3Very high93.9Very high99 Ų9956.3 Ų56.346%0.46331%0.308SS..Hα-helixtrans-59.6-42.3177.6-177.7-177.6-8.900112A157 I158 L163 E164 S165A157-Q161 VanDerWaalsContact O-CB 3.31Å; A157-Q161 WeakPolarHBondContact O-CB 3.46Å; A157-Q161 PolarHBondContact O-N 2.85Å; I158-Q161 PolarHBondContact O-N 2.88Å; Q161-L163 VanDerWaalsContact C-N 3.32Å; Q161-L163 PolarHBondContact O-N 2.94Å; Q161-E164 PolarHBondContact O-N 2.89Å; Q161-S165 VanDerWaalsContact O-CB 3.3Å; Q161-S165 WeakPolarHBondContact O-CB 3.4Å; Q161-S165 PolarHBondContact O-N 2.9Å; Q161-S165 PolarHBondContact O-OG 2.8Å
162M95.7Very high94.5Very high0 Ų051.2 Ų51.20%029%0.286CS..Hα-helixtrans-68.1-31.6177.3-69.8-166.680.800112.7V12 L16 I158 A159 S160 S165 D167 H168 L190 K193 I194 L197V12-M162 HydrophobicContact CG1-SD 3.6Å; V12-M162 VanDerWaalsContact CG1-SD 3.6Å; L16-M162 HydrophobicContact CD1-CB 4.21Å; L16-M162 HydrophobicContact CD1-CE 4.1Å; L16-M162 HydrophobicContact CD1-SD 4.1Å; L16-M162 HydrophobicContact CD2-CB 3.93Å; I158-M162 HydrophobicContact CG2-CG 4.38Å; I158-M162 HydrophobicContact CG2-SD 4.24Å; I158-M162 VanDerWaalsContact O-CG 3.3Å; I158-M162 WeakPolarHBondContact O-CG 3.4Å; I158-M162 PolarHBondContact O-N 3.03Å; A159-M162 PolarHBondContact O-N 3.27Å; S160-M162 VanDerWaalsContact C-N 3.33Å; S160-M162 PolarHBondContact O-N 2.63Å; M162-S165 WeakPolarHBondContact CA-OG 3.34Å; M162-S165 PolarHBondContact O-OG 3.15Å; M162-D167 HydrophobicContact CB-CB 4.2Å; M162-D167 HydrophobicContact CE-CB 3.86Å; M162-D167 HydrophobicContact CG-CB 4.49Å; M162-D167 WeakPolarHBondContact O-CB 3.4Å; M162-D167 PolarHBondContact O-N 3.45Å; M162-H168 PolarHBondContact O-N 3.29Å; M162-L190 HydrophobicContact CE-CD1 3.28Å; M162-L190 HydrophobicContact CE-CG 4.17Å; M162-K193 HydrophobicContact CE-CB 4.48Å; M162-K193 HydrophobicContact CE-CD 4.39Å; M162-K193 HydrophobicContact CE-CG 4.34Å; M162-I194 HydrophobicContact CE-CG1 3.99Å; M162-I194 HydrophobicContact SD-CD1 4.32Å; M162-I194 HydrophobicContact SD-CG1 3.46Å; M162-I194 WeakPolarHBondContact SD-CG1 3.48Å; M162-L197 HydrophobicContact CG-CD1 3.88Å; M162-L197 HydrophobicContact SD-CD1 4.4Å
163L94.5Very high94.8Very high54 Ų5450.1 Ų50.128%0.28328%0.282SS..Hα-helixtrans-68.8-50.9173.1-174.762.4000110.8Y15 C19 A159 S160 Q161 S165 G166 H168Y15-L163 HydrophobicContact CE1-CB 4.36Å; Y15-L163 HydrophobicContact CE1-CD2 4.14Å; Y15-L163 WeakPolarHBondContact OH-CD2 3.34Å; C19-L163 HydrophobicContact CB-CD1 3.78Å; A159-L163 PolarHBondContact O-N 3Å; S160-L163 WeakPolarHBondContact O-CB 3.48Å; S160-L163 PolarHBondContact O-N 2.75Å; S160-L163 VanDerWaalsContact O-N 3.13Å; Q161-L163 VanDerWaalsContact C-N 3.32Å; Q161-L163 PolarHBondContact O-N 2.94Å; L163-S165 PolarHBondContact O-N 2.78Å; L163-G166 PolarHBondContact O-N 3.24Å; L163-H168 HydrophobicContact CD1-CB 4.23Å; L163-H168 PolarHBondContact O-CE1 2.79Å; L163-H168 PolarHBondContact O-ND1 2.82Å; L163-H168 VanDerWaalsContact O-ND1 3.15Å
164E94.7Very high95.1Very high166 Ų16643.1 Ų43.178%0.77625%0.249SC*.Hα-helixtrans-63.1-38.1-177.5-72.5173.9-174.100113.5S160 Q161 G166S160-E164 WeakPolarHBondContact O-CG 3.26Å; S160-E164 PolarHBondContact O-N 2.83Å; Q161-E164 PolarHBondContact O-N 2.89Å; E164-G166 PolarHBondContact O-N 2.99Å
165S95.3Very high95.2Very high66 Ų6639 Ų3946%0.46223%0.23SC..THydrogen-bonded Turntrans-76.8-6.3178.3560000114.2Q161 M162 L163 D167Q161-S165 VanDerWaalsContact O-CB 3.3Å; Q161-S165 WeakPolarHBondContact O-CB 3.4Å; Q161-S165 PolarHBondContact O-N 2.9Å; Q161-S165 PolarHBondContact O-OG 2.8Å; M162-S165 WeakPolarHBondContact CA-OG 3.34Å; M162-S165 PolarHBondContact O-OG 3.15Å; L163-S165 PolarHBondContact O-N 2.78Å; S165-D167 VanDerWaalsContact C-N 3.3Å; S165-D167 PolarHBondContact OG-OD2 3.43Å
166G95.2Very high95.3Very high33 Ų3339.3 Ų39.334%0.3424%0.235SC..THydrogen-bonded Turntrans82.43-176.900000114.6L163 E164 H168 A169L163-G166 PolarHBondContact O-N 3.24Å; E164-G166 PolarHBondContact O-N 2.99Å; G166-H168 PolarHBondContact O-N 2.95Å; G166-A169 WeakPolarHBondContact O-CB 3.38Å; G166-A169 PolarHBondContact O-N 2.85Å; G166-A169 VanDerWaalsContact O-N 3.1Å
167D95.3Very high95.5Very high22 Ų2238.9 Ų38.912%0.11823%0.233CC..G310 helixtrans-67.5-17.6-178-70.2-39.3000114M162 S165 A169 L170 K193M162-D167 HydrophobicContact CB-CB 4.2Å; M162-D167 HydrophobicContact CE-CB 3.86Å; M162-D167 HydrophobicContact CG-CB 4.49Å; M162-D167 WeakPolarHBondContact O-CB 3.4Å; M162-D167 PolarHBondContact O-N 3.45Å; S165-D167 VanDerWaalsContact C-N 3.3Å; S165-D167 PolarHBondContact OG-OD2 3.43Å; D167-A169 PolarHBondContact O-N 3.03Å; D167-A169 VanDerWaalsContact O-N 3.13Å; D167-L170 HydrophobicContact CB-CD1 4.25Å; D167-L170 VanDerWaalsContact O-CB 3.26Å; D167-L170 WeakPolarHBondContact O-CB 3.26Å; D167-L170 PolarHBondContact O-N 3.44Å; D167-K193 HydrophobicContact CB-CD 4.49Å; D167-K193 IonicContact OD1-NZ 3.37Å; D167-K193 PolarHBondContact OD1-NZ 2.93Å; D167-K193 WeakPolarHBondContact OD2-CD 3.36Å; D167-K193 WeakPolarHBondContact OD2-CE 3.45Å; D167-K193 IonicContact OD2-NZ 3.4Å; D167-K193 PolarHBondContact OD2-NZ 3.16Å
168H93.1Very high95.5Very high50 Ų5039.4 Ų39.423%0.23123%0.227CC..G310 helixtrans-52.6-29.6168.962.4-84000112.1L16 L20 M162 L163 G166 L170 L171L16-H168 HydrophobicContact CB-CB 4.28Å; L16-H168 HydrophobicContact CD2-CB 3.65Å; L16-H168 HydrophobicContact CG-CB 4.42Å; L20-H168 WeakPolarHBondContact CD1-O 3.44Å; M162-H168 PolarHBondContact O-N 3.29Å; L163-H168 HydrophobicContact CD1-CB 4.23Å; L163-H168 PolarHBondContact O-CE1 2.79Å; L163-H168 PolarHBondContact O-ND1 2.82Å; L163-H168 VanDerWaalsContact O-ND1 3.15Å; G166-H168 PolarHBondContact O-N 2.95Å; H168-L170 PolarHBondContact O-N 3.44Å; H168-L171 WeakPolarHBondContact O-CB 3.42Å; H168-L171 PolarHBondContact O-N 3.44Å; H168-L171 VanDerWaalsContact O-N 3.13Å
169A93.5Very high95.4Very high76 Ų7645.6 Ų45.663%0.62826%0.26SS*.G310 helixtrans-68.9-13.3176.100000114.5G166 D167 L171G166-A169 WeakPolarHBondContact O-CB 3.38Å; G166-A169 PolarHBondContact O-N 2.85Å; G166-A169 VanDerWaalsContact O-N 3.1Å; D167-A169 PolarHBondContact O-N 3.03Å; D167-A169 VanDerWaalsContact O-N 3.13Å; A169-L171 VanDerWaalsContact C-N 3.28Å
170L95.5Very high95.5Very high78 Ų7848.3 Ų48.341%0.40828%0.275SS..G310 helixtrans-76.7-17.8172.5-62172.6000112.3D167 H168 V172 L190 K193D167-L170 HydrophobicContact CB-CD1 4.25Å; D167-L170 VanDerWaalsContact O-CB 3.26Å; D167-L170 WeakPolarHBondContact O-CB 3.26Å; D167-L170 PolarHBondContact O-N 3.44Å; H168-L170 PolarHBondContact O-N 3.44Å; L170-V172 PolarHBondContact O-N 3.34Å; L170-L190 HydrophobicContact CB-CD1 4.03Å; L170-K193 HydrophobicContact CD1-CD 4.42Å
171L98.3Very high95.6Very high12 Ų1253.8 Ų53.86%0.06330%0.301CS..  trans-70.8127.5-180-173.6149.3000110.1K13 L16 H17 L20 P47 H168 A169 N187 L190K13-L171 HydrophobicContact CB-CD1 4.42Å; K13-L171 VanDerWaalsContact O-CD1 3.29Å; K13-L171 WeakPolarHBondContact O-CD1 3.08Å; L16-L171 HydrophobicContact CB-CD1 3.82Å; H17-L171 HydrophobicContact CB-CD1 4.09Å; H17-L171 HydrophobicContact CB-CD2 4.11Å; L20-L171 HydrophobicContact CD1-CB 3.81Å; L20-L171 HydrophobicContact CD1-CD2 3.74Å; L20-L171 HydrophobicContact CD1-CG 4.31Å; P47-L171 HydrophobicContact CB-CD2 4.05Å; P47-L171 HydrophobicContact CG-CD1 4.07Å; P47-L171 HydrophobicContact CG-CD2 3.97Å; P47-L171 HydrophobicContact CG-CG 4.22Å; H168-L171 WeakPolarHBondContact O-CB 3.42Å; H168-L171 PolarHBondContact O-N 3.44Å; H168-L171 VanDerWaalsContact O-N 3.13Å; A169-L171 VanDerWaalsContact C-N 3.28Å; L171-N187 WeakPolarHBondContact CA-OD1 3.44Å; L171-L190 HydrophobicContact CB-CD2 4Å; L171-L190 HydrophobicContact CD1-CD2 4.03Å; L171-L190 HydrophobicContact CG-CD2 4.2Å
172V98.3Very high95.7Very high25 Ų2554.6 Ų54.615%0.15231%0.313CS..  trans-114.5122.2174.8175.80000107.7L170 H177 K183 W185 N187L170-V172 PolarHBondContact O-N 3.34Å; V172-H177 HydrophobicContact CG1-CB 4.35Å; V172-K183 HydrophobicContact CB-CB 4.49Å; V172-K183 HydrophobicContact CG1-CB 3.67Å; V172-K183 HydrophobicContact CG2-CB 4Å; V172-K183 HydrophobicContact CG2-CD 4.43Å; V172-W185 HydrophobicContact CG1-CB 4.5Å; V172-N187 PolarHBondContact N-OD1 3.42Å; V172-N187 PolarHBondContact O-ND2 2.65Å
173D97.6Very high95.8Very high5 Ų559 Ų593%0.02733%0.332CS..  trans-92.8173.8166.773.8-18.9000111.4H17 P47 H50 G176 H177H17-D173 IonicContact NE2-OD2 2.75Å; H17-D173 PolarHBondContact NE2-OD2 3.42Å; P47-D173 HydrophobicContact CB-CB 3.61Å; P47-D173 WeakPolarHBondContact O-CA 3.4Å; H50-D173 IonicContact CE1-OD1 3.13Å; H50-D173 IonicContact CE1-OD2 2.84Å; H50-D173 IonicContact CG-OD2 3.25Å; H50-D173 IonicContact ND1-OD1 3.35Å; H50-D173 IonicContact ND1-OD2 2.74Å; H50-D173 PolarHBondContact ND1-OD2 3.43Å; D173-G176 PolarHBondContact O-N 3.25Å; D173-G176 PolarHBondContact OD1-N 3.4Å; D173-H177 PolarHBondContact O-N 2.95Å
174F96.7Very high95.9Very high0 Ų059.6 Ų59.60%034%0.336CS..Hα-helixtrans-67.3-35.8-177.3-159.3-93.1000112.3P47 L48 L61 A62 Q65 H177 L178 W185P47-F174 PolarHBondContact O-N 3.08Å; P47-F174 VanDerWaalsContact O-N 3.09Å; L48-F174 HydrophobicContact CD2-CB 3.85Å; L48-F174 HydrophobicContact CD2-CD2 4.43Å; L48-F174 HydrophobicContact CD2-CG 4.23Å; L48-F174 CarbonylContact O-C 3.59Å; L48-F174 WeakPolarHBondContact O-CA 3.4Å; L48-F174 WeakPolarHBondContact O-CB 3.21Å; L48-F174 PolarHBondContact O-N 3.11Å; L61-F174 HydrophobicContact CD2-CE1 4.46Å; L61-F174 HydrophobicContact CG-CE1 4.32Å; L61-F174 HydrophobicContact CG-CZ 4.38Å; A62-F174 HydrophobicContact CB-CD1 3.67Å; A62-F174 HydrophobicContact CB-CD2 4.4Å; A62-F174 HydrophobicContact CB-CE1 3.7Å; A62-F174 HydrophobicContact CB-CE2 4.43Å; A62-F174 HydrophobicContact CB-CG 4.02Å; A62-F174 HydrophobicContact CB-CZ 4.09Å; Q65-F174 HydrophobicContact CB-CE2 4.13Å; Q65-F174 HydrophobicContact CB-CZ 4.17Å; Q65-F174 HydrophobicContact CG-CE2 4.22Å; F174-H177 WeakPolarHBondContact O-CB 3.29Å; F174-H177 PolarHBondContact O-N 3.36Å; F174-L178 HydrophobicContact CD1-CD1 3.99Å; F174-L178 HydrophobicContact CD1-CG 4.06Å; F174-L178 HydrophobicContact CE1-CD1 4.01Å; F174-L178 HydrophobicContact CE1-CD2 3.98Å; F174-L178 HydrophobicContact CE1-CG 4.02Å; F174-L178 WeakPolarHBondContact O-CG 3.27Å; F174-L178 PolarHBondContact O-N 3.49Å; F174-W185 HydrophobicContact CD2-CB 4.45Å; F174-W185 HydrophobicContact CD2-CD2 4.28Å; F174-W185 HydrophobicContact CD2-CG 4.07Å
175D94.6Very high96.1Very high10 Ų1052.4 Ų52.45%0.05330%0.301CS..Hα-helixtrans-56.4-49.9170.5-89.3-15.8000110.4L48 L49 H50 S51 H177 L178 D179L48-D175 PolarHBondContact O-N 3.37Å; L49-D175 WeakPolarHBondContact CA-OD2 3.34Å; L49-D175 WeakPolarHBondContact CD2-OD1 3.34Å; H50-D175 VanDerWaalsContact CE1-CB 3.44Å; H50-D175 WeakPolarHBondContact CE1-CB 3.44Å; H50-D175 IonicContact CE1-OD2 3.59Å; H50-D175 IonicContact CG-OD2 3.94Å; H50-D175 PolarHBondContact N-OD2 2.84Å; H50-D175 WeakPolarHBondContact ND1-CB 3.44Å; H50-D175 IonicContact ND1-OD2 2.6Å; S51-D175 PolarHBondContact N-OD2 2.74Å; S51-D175 PolarHBondContact OG-OD2 3.01Å; D175-H177 VanDerWaalsContact C-N 3.27Å; D175-H177 PolarHBondContact O-N 3.48Å; D175-L178 PolarHBondContact O-N 3.41Å; D175-D179 PolarHBondContact O-N 3.1Å
176G95.4Very high96.2Very high11 Ų1149.8 Ų49.811%0.11328%0.283CS..Hα-helixtrans-64.2-27.9178.100000114.4D173 D180D173-G176 PolarHBondContact O-N 3.25Å; D173-G176 PolarHBondContact OD1-N 3.4Å; G176-D180 PolarHBondContact O-N 3.42Å
177H96.7Very high96.3Very high21 Ų2148.5 Ų48.510%0.09727%0.268CS..Hα-helixtrans-72.7-35.1170.8173.975.2000112.7V172 D173 F174 D175 D179 D180 I181 K183 W185V172-H177 HydrophobicContact CG1-CB 4.35Å; D173-H177 PolarHBondContact O-N 2.95Å; F174-H177 WeakPolarHBondContact O-CB 3.29Å; F174-H177 PolarHBondContact O-N 3.36Å; D175-H177 VanDerWaalsContact C-N 3.27Å; D175-H177 PolarHBondContact O-N 3.48Å; H177-D179 VanDerWaalsContact C-N 3.28Å; H177-D179 PolarHBondContact O-N 3.11Å; H177-D180 CarbonylContact O-C 3.58Å; H177-D180 PolarHBondContact O-N 3.28Å; H177-D180 VanDerWaalsContact O-O 3.08Å; H177-I181 PolarHBondContact CE1-O 3.2Å; H177-I181 VanDerWaalsContact O-CA 3.29Å; H177-I181 WeakPolarHBondContact O-CA 3.31Å; H177-I181 PolarHBondContact O-N 3.34Å; H177-I181 VanDerWaalsContact O-N 3.08Å; H177-K183 PolarHBondContact ND1-O 3.43Å; H177-W185 HydrophobicContact CB-CB 4.19Å; H177-W185 AromaticContact CD2-CD1 3.55Å; H177-W185 AromaticContact CE1-CD1 3.84Å; H177-W185 AromaticContact CG-CD1 3.52Å; H177-W185 AromaticContact ND1-CD1 3.71Å; H177-W185 AromaticContact NE2-CD1 3.74Å; H177-W185 AromaticContact NE2-NE1 3.91Å
178L94.3Very high96.4Very high68 Ų6851.9 Ų51.936%0.35628%0.283SS..Hα-helixtrans-67.5-32.6176.4-69.1176.3000111.9I58 L61 F174 D175I58-L178 HydrophobicContact CG2-CD1 3.79Å; L61-L178 HydrophobicContact CD2-CD2 4.1Å; F174-L178 HydrophobicContact CD1-CD1 3.99Å; F174-L178 HydrophobicContact CD1-CG 4.06Å; F174-L178 HydrophobicContact CE1-CD1 4.01Å; F174-L178 HydrophobicContact CE1-CD2 3.98Å; F174-L178 HydrophobicContact CE1-CG 4.02Å; F174-L178 WeakPolarHBondContact O-CG 3.27Å; F174-L178 PolarHBondContact O-N 3.49Å; D175-L178 PolarHBondContact O-N 3.41Å
179D94.3Very high96.6Very high141 Ų14154.5 Ų54.575%0.75430%0.303SS*.Hα-helixtrans-69.5-35.3172.6-72.9-22000112.4D175 H177D175-D179 PolarHBondContact O-N 3.1Å; H177-D179 VanDerWaalsContact C-N 3.28Å; H177-D179 PolarHBondContact O-N 3.11Å
180D96.9Very high96.7Very high59 Ų5950.9 Ų50.932%0.31627%0.273SS..  trans-145.199.5177.9-179.8-2.9000111G176 H177 T182 K183G176-D180 PolarHBondContact O-N 3.42Å; H177-D180 CarbonylContact O-C 3.58Å; H177-D180 PolarHBondContact O-N 3.28Å; H177-D180 VanDerWaalsContact O-O 3.08Å; D180-T182 VanDerWaalsContact CG-OG1 3.3Å; D180-T182 PolarHBondContact O-N 3.21Å; D180-T182 WeakPolarHBondContact OD1-CB 3.41Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.39Å; D180-T182 PolarHBondContact OD1-N 3.13Å; D180-T182 PolarHBondContact OD1-OG1 3.35Å; D180-T182 PolarHBondContact OD2-OG1 2.87Å; D180-K183 HydrophobicContact CB-CD 4.02Å; D180-K183 HydrophobicContact CB-CG 4.07Å; D180-K183 WeakPolarHBondContact O-CB 3.16Å; D180-K183 PolarHBondContact O-N 2.83Å
181I96.4Very high96.8Very high133 Ų13347.7 Ų47.768%0.68226%0.256SS*.THydrogen-bonded Turntrans-63.6-9.8-175.463.4167.5000113.9H177 K183H177-I181 PolarHBondContact CE1-O 3.2Å; H177-I181 VanDerWaalsContact O-CA 3.29Å; H177-I181 WeakPolarHBondContact O-CA 3.31Å; H177-I181 PolarHBondContact O-N 3.34Å; H177-I181 VanDerWaalsContact O-N 3.08Å; I181-K183 VanDerWaalsContact C-N 3.31Å
182T97.2Very high96.8Very high117 Ų11749.5 Ų49.572%0.71827%0.273SS*.THydrogen-bonded Turntrans-79.5-16.3175.172.60000112.6D180D180-T182 VanDerWaalsContact CG-OG1 3.3Å; D180-T182 PolarHBondContact O-N 3.21Å; D180-T182 WeakPolarHBondContact OD1-CB 3.41Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.39Å; D180-T182 PolarHBondContact OD1-N 3.13Å; D180-T182 PolarHBondContact OD1-OG1 3.35Å; D180-T182 PolarHBondContact OD2-OG1 2.87Å
183K97.8Very high96.7Very high93 Ų9351.6 Ų51.640%0.40428%0.28SS..SBendtrans-79.3134.4179-64.3-178.2-177.6169.60111.5V172 H177 D180 I181 W185V172-K183 HydrophobicContact CB-CB 4.49Å; V172-K183 HydrophobicContact CG1-CB 3.67Å; V172-K183 HydrophobicContact CG2-CB 4Å; V172-K183 HydrophobicContact CG2-CD 4.43Å; H177-K183 PolarHBondContact ND1-O 3.43Å; D180-K183 HydrophobicContact CB-CD 4.02Å; D180-K183 HydrophobicContact CB-CG 4.07Å; D180-K183 WeakPolarHBondContact O-CB 3.16Å; D180-K183 PolarHBondContact O-N 2.83Å; I181-K183 VanDerWaalsContact C-N 3.31Å; K183-W185 PolarHBondContact O-N 3.43Å
184D97.7Very high96.6Very high65 Ų6551.4 Ų51.435%0.34828%0.279SS..  trans-88.4101.6-176172.729.9000112.4T186 N187 Q188D184-T186 PolarHBondContact O-N 3.29Å; D184-T186 WeakPolarHBondContact OD1-CA 3.31Å; D184-T186 VanDerWaalsContact OD1-CB 3.26Å; D184-T186 WeakPolarHBondContact OD1-CB 3.49Å; D184-T186 WeakPolarHBondContact OD1-CG2 3.31Å; D184-T186 PolarHBondContact OD1-N 3.02Å; D184-T186 PolarHBondContact OD1-OG1 2.91Å; D184-T186 PolarHBondContact OD2-OG1 2.97Å; D184-T186 VanDerWaalsContact OD2-OG1 3.05Å; D184-N187 PolarHBondContact O-N 2.92Å; D184-N187 VanDerWaalsContact O-N 3.07Å; D184-N187 PolarHBondContact OD2-N 3.21Å; D184-Q188 PolarHBondContact OD2-N 2.87Å
185W97.6Very high96.6Very high15 Ų1553.8 Ų53.86%0.05730%0.299CS..THydrogen-bonded Turntrans-67-14174.659-97.6000113.8V46 Q65 V66 W69 V172 F174 H177 K183 N187V46-W185 HydrophobicContact CG1-CE3 3.54Å; V46-W185 HydrophobicContact CG1-CZ3 3.94Å; V46-W185 HydrophobicContact CG2-CE3 4.22Å; V46-W185 HydrophobicContact CG2-CZ3 3.95Å; Q65-W185 HydrophobicContact CG-CZ2 3.9Å; V66-W185 HydrophobicContact CG2-CE3 4.33Å; V66-W185 HydrophobicContact CG2-CH2 4.01Å; V66-W185 HydrophobicContact CG2-CZ3 3.75Å; W69-W185 HydrophobicContact CB-CH2 3.67Å; W69-W185 HydrophobicContact CB-CZ2 4.26Å; W69-W185 AromaticContact CD2-CH2 3.93Å; W69-W185 HydrophobicContact CD2-CH2 3.93Å; W69-W185 HydrophobicContact CD2-CZ3 4.31Å; W69-W185 HydrophobicContact CE3-CH2 4.21Å; W69-W185 HydrophobicContact CE3-CZ3 4.26Å; W69-W185 AromaticContact CG-CH2 3.7Å; W69-W185 HydrophobicContact CG-CH2 3.7Å; W69-W185 HydrophobicContact CG-CZ2 4.38Å; V172-W185 HydrophobicContact CG1-CB 4.5Å; F174-W185 HydrophobicContact CD2-CB 4.45Å; F174-W185 HydrophobicContact CD2-CD2 4.28Å; F174-W185 HydrophobicContact CD2-CG 4.07Å; H177-W185 HydrophobicContact CB-CB 4.19Å; H177-W185 AromaticContact CD2-CD1 3.55Å; H177-W185 AromaticContact CE1-CD1 3.84Å; H177-W185 AromaticContact CG-CD1 3.52Å; H177-W185 AromaticContact ND1-CD1 3.71Å; H177-W185 AromaticContact NE2-CD1 3.74Å; H177-W185 AromaticContact NE2-NE1 3.91Å; K183-W185 PolarHBondContact O-N 3.43Å; W185-N187 PolarHBondContact O-N 2.91Å; W185-N187 PolarHBondContact O-ND2 2.85Å
186T97.1Very high96.6Very high12 Ų1260.1 Ų60.17%0.07433%0.328CS..THydrogen-bonded Turntrans-77.7-14.6173.279.10000112.1K13 W69 D184 Q188 N191K13-T186 PolarHBondContact NZ-O 3.44Å; W69-T186 HydrophobicContact CD2-CG2 4.17Å; W69-T186 HydrophobicContact CZ2-CG2 3.86Å; D184-T186 PolarHBondContact O-N 3.29Å; D184-T186 WeakPolarHBondContact OD1-CA 3.31Å; D184-T186 VanDerWaalsContact OD1-CB 3.26Å; D184-T186 WeakPolarHBondContact OD1-CB 3.49Å; D184-T186 WeakPolarHBondContact OD1-CG2 3.31Å; D184-T186 PolarHBondContact OD1-N 3.02Å; D184-T186 PolarHBondContact OD1-OG1 2.91Å; D184-T186 PolarHBondContact OD2-OG1 2.97Å; D184-T186 VanDerWaalsContact OD2-OG1 3.05Å; T186-Q188 WeakPolarHBondContact OG1-CG 3.41Å; T186-Q188 PolarHBondContact OG1-NE2 3.05Å; T186-N191 PolarHBondContact O-ND2 2.99Å
187N98.2Very high96.5Very high5 Ų562.1 Ų62.13%0.02734%0.336CS..  trans59.243.7172.4-71.7-83000113.6L171 V172 D184 W185 T189 L190 N191L171-N187 WeakPolarHBondContact CA-OD1 3.44Å; V172-N187 PolarHBondContact N-OD1 3.42Å; V172-N187 PolarHBondContact O-ND2 2.65Å; D184-N187 PolarHBondContact O-N 2.92Å; D184-N187 VanDerWaalsContact O-N 3.07Å; D184-N187 PolarHBondContact OD2-N 3.21Å; W185-N187 PolarHBondContact O-N 2.91Å; W185-N187 PolarHBondContact O-ND2 2.85Å; N187-T189 VanDerWaalsContact C-N 3.34Å; N187-T189 PolarHBondContact O-N 2.99Å; N187-L190 HydrophobicContact CB-CB 4.06Å; N187-L190 HydrophobicContact CB-CD2 4.27Å; N187-L190 PolarHBondContact O-N 2.87Å; N187-N191 PolarHBondContact O-N 2.88Å; N187-N191 PolarHBondContact O-ND2 3.41Å; N187-N191 PolarHBondContact O-OD1 2.6Å
188Q96.8Very high96.2Very high93 Ų9363.9 Ų63.944%0.43535%0.35SS..Hα-helixtrans-61.6-38.7-175.7-61.9-51.8-35.900113.6D184 T186 N191 A192D184-Q188 PolarHBondContact OD2-N 2.87Å; T186-Q188 WeakPolarHBondContact OG1-CG 3.41Å; T186-Q188 PolarHBondContact OG1-NE2 3.05Å; Q188-N191 WeakPolarHBondContact O-CB 3.46Å; Q188-N191 PolarHBondContact O-N 3.01Å; Q188-N191 PolarHBondContact OE1-ND2 2.96Å; Q188-A192 PolarHBondContact O-N 2.55Å
189T96.9Very high95.6Very high105 Ų10564 Ų6464%0.64436%0.357SS*.Hα-helixtrans-63-44.1176.6-53.80000111.5N187 N191 A192 K193N187-T189 VanDerWaalsContact C-N 3.34Å; N187-T189 PolarHBondContact O-N 2.99Å; T189-N191 VanDerWaalsContact C-N 3.35Å; T189-A192 PolarHBondContact O-N 3.1Å; T189-K193 PolarHBondContact O-N 3.31Å
190L97.5Very high94.1Very high1 Ų162.9 Ų62.91%0.00536%0.358CS..Hα-helixtrans-64.2-41175.7-171.276.2000111K13 L16 M162 L170 L171 N187 A192 K193 I194K13-L190 HydrophobicContact CG-CD2 3.95Å; L16-L190 HydrophobicContact CD1-CD1 4.09Å; L16-L190 HydrophobicContact CD1-CD2 4.34Å; M162-L190 HydrophobicContact CE-CD1 3.28Å; M162-L190 HydrophobicContact CE-CG 4.17Å; L170-L190 HydrophobicContact CB-CD1 4.03Å; L171-L190 HydrophobicContact CB-CD2 4Å; L171-L190 HydrophobicContact CD1-CD2 4.03Å; L171-L190 HydrophobicContact CG-CD2 4.2Å; N187-L190 HydrophobicContact CB-CB 4.06Å; N187-L190 HydrophobicContact CB-CD2 4.27Å; N187-L190 PolarHBondContact O-N 2.87Å; L190-A192 PolarHBondContact O-N 3.37Å; L190-K193 PolarHBondContact O-N 3.26Å; L190-I194 HydrophobicContact CD2-CD1 4.46Å; L190-I194 HydrophobicContact CG-CD1 4.06Å; L190-I194 WeakPolarHBondContact O-CG1 3.43Å; L190-I194 PolarHBondContact O-N 3.25Å
191N97.1Very high92Very high10 Ų1064.7 Ų64.75%0.05338%0.381CS..Hα-helixtrans-58-46.9176.6-67.6-21000112R9 K13 T186 N187 Q188 T189 K193 I194 A195R9-N191 WeakPolarHBondContact CD-OD1 3.41Å; K13-N191 WeakPolarHBondContact CE-OD1 3.5Å; K13-N191 PolarHBondContact NZ-OD1 3.1Å; T186-N191 PolarHBondContact O-ND2 2.99Å; N187-N191 PolarHBondContact O-N 2.88Å; N187-N191 PolarHBondContact O-ND2 3.41Å; N187-N191 PolarHBondContact O-OD1 2.6Å; Q188-N191 WeakPolarHBondContact O-CB 3.46Å; Q188-N191 PolarHBondContact O-N 3.01Å; Q188-N191 PolarHBondContact OE1-ND2 2.96Å; T189-N191 VanDerWaalsContact C-N 3.35Å; N191-K193 VanDerWaalsContact C-N 3.31Å; N191-K193 PolarHBondContact O-N 2.98Å; N191-I194 PolarHBondContact O-N 3.35Å; N191-A195 WeakPolarHBondContact O-CB 3.2Å; N191-A195 PolarHBondContact O-N 3.06Å
192A96.9Very high89.5Confident50 Ų5066.1 Ų66.141%0.41339%0.39SS..Hα-helixtrans-60.4-44.2178.500000110.8Q188 T189 L190 I194 A195 E196Q188-A192 PolarHBondContact O-N 2.55Å; T189-A192 PolarHBondContact O-N 3.1Å; L190-A192 PolarHBondContact O-N 3.37Å; A192-I194 PolarHBondContact O-N 2.98Å; A192-A195 WeakPolarHBondContact O-CB 3.19Å; A192-A195 PolarHBondContact O-N 3.12Å; A192-A195 VanDerWaalsContact O-N 3.17Å; A192-E196 WeakPolarHBondContact O-CG 3.37Å; A192-E196 PolarHBondContact O-N 2.75Å
193K96.7Very high86.7Confident69 Ų6963.6 Ų63.630%0.339%0.387SS..Hα-helixtrans-63.7-43.1177.9-167162.5-164171.20113M162 D167 L170 T189 L190 N191 A195 E196 L197M162-K193 HydrophobicContact CE-CB 4.48Å; M162-K193 HydrophobicContact CE-CD 4.39Å; M162-K193 HydrophobicContact CE-CG 4.34Å; D167-K193 HydrophobicContact CB-CD 4.49Å; D167-K193 IonicContact OD1-NZ 3.37Å; D167-K193 PolarHBondContact OD1-NZ 2.93Å; D167-K193 WeakPolarHBondContact OD2-CD 3.36Å; D167-K193 WeakPolarHBondContact OD2-CE 3.45Å; D167-K193 IonicContact OD2-NZ 3.4Å; D167-K193 PolarHBondContact OD2-NZ 3.16Å; L170-K193 HydrophobicContact CD1-CD 4.42Å; T189-K193 PolarHBondContact O-N 3.31Å; L190-K193 PolarHBondContact O-N 3.26Å; N191-K193 VanDerWaalsContact C-N 3.31Å; N191-K193 PolarHBondContact O-N 2.98Å; K193-A195 VanDerWaalsContact C-N 3.29Å; K193-A195 PolarHBondContact O-N 3.14Å; K193-E196 PolarHBondContact O-N 3.01Å; K193-L197 WeakPolarHBondContact O-CG 3.2Å; K193-L197 PolarHBondContact O-N 3.13Å; K193-L197 VanDerWaalsContact O-N 3.08Å
194I96.4Very high83.8Confident2 Ų267.1 Ų67.11%0.0141%0.41CS..Hα-helixtrans-61.9-40.9174.1-64.2162.4000110.4R9 V12 K13 M162 L190 N191 A192 L197 S198R9-I194 HydrophobicContact CB-CG2 4.29Å; R9-I194 HydrophobicContact CG-CD1 4.4Å; V12-I194 HydrophobicContact CB-CD1 4.04Å; V12-I194 HydrophobicContact CB-CG1 4.43Å; V12-I194 HydrophobicContact CG1-CD1 3.75Å; V12-I194 HydrophobicContact CG1-CG1 3.92Å; K13-I194 HydrophobicContact CG-CD1 4.38Å; M162-I194 HydrophobicContact CE-CG1 3.99Å; M162-I194 HydrophobicContact SD-CD1 4.32Å; M162-I194 HydrophobicContact SD-CG1 3.46Å; M162-I194 WeakPolarHBondContact SD-CG1 3.48Å; L190-I194 HydrophobicContact CD2-CD1 4.46Å; L190-I194 HydrophobicContact CG-CD1 4.06Å; L190-I194 WeakPolarHBondContact O-CG1 3.43Å; L190-I194 PolarHBondContact O-N 3.25Å; N191-I194 PolarHBondContact O-N 3.35Å; A192-I194 PolarHBondContact O-N 2.98Å; I194-L197 PolarHBondContact O-N 2.64Å; I194-S198 WeakPolarHBondContact O-CB 3.4Å; I194-S198 PolarHBondContact O-N 2.94Å; I194-S198 PolarHBondContact O-OG 2.94Å
195A95.4Very high80.9Confident50 Ų5075.5 Ų75.541%0.41345%0.452SS..Hα-helixtrans-64-39.2178.100000112.4N191 A192 K193 S198 S199N191-A195 WeakPolarHBondContact O-CB 3.2Å; N191-A195 PolarHBondContact O-N 3.06Å; A192-A195 WeakPolarHBondContact O-CB 3.19Å; A192-A195 PolarHBondContact O-N 3.12Å; A192-A195 VanDerWaalsContact O-N 3.17Å; K193-A195 VanDerWaalsContact C-N 3.29Å; K193-A195 PolarHBondContact O-N 3.14Å; A195-S198 WeakPolarHBondContact CA-OG 3.45Å; A195-S198 PolarHBondContact O-N 3.22Å; A195-S198 PolarHBondContact O-OG 3.06Å; A195-S199 WeakPolarHBondContact O-CB 3.32Å; A195-S199 PolarHBondContact O-N 3.39Å; A195-S199 PolarHBondContact O-OG 3.26Å
196E95.1Very high80.1Confident142 Ų14278.5 Ų78.566%0.66447%0.472SS*.Hα-helixtrans-62.7-44.9174.3-73.4172.1-172.100111.8A192 K193 S199A192-E196 WeakPolarHBondContact O-CG 3.37Å; A192-E196 PolarHBondContact O-N 2.75Å; K193-E196 PolarHBondContact O-N 3.01Å; E196-S199 PolarHBondContact O-N 2.82Å
197L93.6Very high79.2Confident53 Ų5382 Ų8228%0.27749%0.493SS..Hα-helixtrans-72.6-28.3179.7-66.3175.7000113.5I158 M162 K193 I194I158-L197 HydrophobicContact CD1-CB 4.27Å; I158-L197 HydrophobicContact CG1-CB 4.04Å; I158-L197 HydrophobicContact CG2-CB 4.03Å; I158-L197 HydrophobicContact CG2-CD1 4.04Å; M162-L197 HydrophobicContact CG-CD1 3.88Å; M162-L197 HydrophobicContact SD-CD1 4.4Å; K193-L197 WeakPolarHBondContact O-CG 3.2Å; K193-L197 PolarHBondContact O-N 3.13Å; K193-L197 VanDerWaalsContact O-N 3.08Å; I194-L197 PolarHBondContact O-N 2.64Å
198S89.7Confident78.1Confident58 Ų5886.3 Ų86.341%0.40652%0.519SS..Hα-helixtrans-87.4-10.8177.554.10000113.7I194 A195I194-S198 WeakPolarHBondContact O-CB 3.4Å; I194-S198 PolarHBondContact O-N 2.94Å; I194-S198 PolarHBondContact O-OG 2.94Å; A195-S198 WeakPolarHBondContact CA-OG 3.45Å; A195-S198 PolarHBondContact O-N 3.22Å; A195-S198 PolarHBondContact O-OG 3.06Å
199S82.9Confident77Confident72 Ų7285.9 Ų85.950%0.50352%0.524SS..SBendtrans-72.3131.4173.1-66.20000109.3A195 E196 A201A195-S199 WeakPolarHBondContact O-CB 3.32Å; A195-S199 PolarHBondContact O-N 3.39Å; A195-S199 PolarHBondContact O-OG 3.26Å; E196-S199 PolarHBondContact O-N 2.82Å; S199-A201 PolarHBondContact O-N 3.16Å; S199-A201 VanDerWaalsContact O-N 3.14Å
200P61.3Low75.8Confident117 Ų11784.7 Ų84.776%0.7652%0.516SS*.PPolyproline II helixtrans-57.1126.517223-30.2000107.6N202P200-N202 PolarHBondContact O-N 3.4Å
201A53Low74.3Confident97 Ų9790.3 Ų90.380%0.80255%0.55SS**PPolyproline II helixtrans-47.9119.3175.100000107.5S199 G203S199-A201 PolarHBondContact O-N 3.16Å; S199-A201 VanDerWaalsContact O-N 3.14Å; A201-G203 VanDerWaalsContact C-N 3.3Å; A201-G203 PolarHBondContact O-N 3.1Å
202N43.6Very low72.7Confident163 Ų16396 Ų9687%0.87259%0.586SS**  trans-52103.3172.6-91.6-19.3000106.8P200 N204P200-N202 PolarHBondContact O-N 3.4Å; N202-N204 PolarHBondContact O-N 2.99Å; N202-N204 VanDerWaalsContact O-N 3.17Å
203G39.6Very low70.8Confident64 Ų6499.5 Ų99.566%0.6660%0.599SS**  trans-59.1121.4172.500000106.8A201 I205A201-G203 VanDerWaalsContact C-N 3.3Å; A201-G203 PolarHBondContact O-N 3.1Å; G203-I205 PolarHBondContact O-N 3.08Å
204N36.6Very low68.7Low167 Ų167102.1 Ų102.189%0.89362%0.624SS**  trans-43.3124.2165.4-73.5-27.9000109.4N202N202-N204 PolarHBondContact O-N 2.99Å; N202-N204 VanDerWaalsContact O-N 3.17Å
205I36.7Very low66.1Low240 Ų240111.2 Ų111.2100%1.23168%0.68SS**  trans-104.30152.5-58.1177.9000106.3G203G203-I205 PolarHBondContact O-N 3.08Å

Retrieved 205 of 205 residues in 359 ms (Link to these results)

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