A0A096LTD5_POEFO Loading...

Phytanoyl-CoA dioxygenase domain-containing protein 1

2-oxoglutarate(2OG)-dependent dioxygenase that catalyzes the conversion of 2-oxoglutarate to succinate and CO(2) in an iron-dependent manner. However, does not couple 2OG turnover to the hydroxylation of acyl-coenzyme A derivatives, implying that it is not directly involved in phytanoyl coenzyme-A metabolism. Does not show detectable activity towards fatty acid CoA thioesters.

AlphaFold DB , UniProt , Accession A0A096LTD5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 292 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
1M60.5Low92.8Very high241 Ų24190.5 Ų90.5100%1.18745%0.45SS*.  0137.20-75.2177.8-141.200107.1
2D83.4Confident93.3Very high116 Ų11684.5 Ų84.562%0.6242%0.419SS*.  trans-62.6142173.9-65.3-21.6000109.3M4 K129D2-M4 PolarHBondContact O-N 2.71Å; D2-K129 IonicContact OD2-NZ 2.78Å
3F93.9Very high93.6Very high57 Ų5787.8 Ų87.825%0.2543%0.429CS..SBendtrans-65.1-30.2177.8176.8-104.1000112.3L20 D21 G22 L23 K122 I126 V237F3-L20 HydrophobicContact CD1-CD1 4.18Å; F3-L20 HydrophobicContact CE1-CB 3.79Å; F3-L20 HydrophobicContact CE1-CD1 3.7Å; F3-L20 HydrophobicContact CE1-CG 4.39Å; F3-L20 HydrophobicContact CZ-CB 3.85Å; F3-D21 VanDerWaalsContact CE2-O 3.3Å; F3-D21 WeakPolarHBondContact CE2-O 3.44Å; F3-D21 WeakPolarHBondContact CZ-O 3.48Å; F3-G22 WeakPolarHBondContact CE2-O 3.36Å; F3-L23 HydrophobicContact CD1-CD1 4.12Å; F3-L23 HydrophobicContact CE1-CB 4.21Å; F3-L23 HydrophobicContact CE1-CD1 3.59Å; F3-L23 HydrophobicContact CE2-CB 4.41Å; F3-L23 VanDerWaalsContact CZ-CA 3.45Å; F3-L23 HydrophobicContact CZ-CB 3.69Å; F3-L23 HydrophobicContact CZ-CD1 3.86Å; F3-L23 HydrophobicContact CZ-CG 4.41Å; F3-K122 HydrophobicContact CB-CG 4.45Å; F3-K122 HydrophobicContact CD2-CD 4.03Å; F3-K122 HydrophobicContact CE2-CD 4.37Å; F3-K122 HydrophobicContact CG-CB 4.4Å; F3-K122 HydrophobicContact CG-CD 4.36Å; F3-K122 HydrophobicContact CG-CG 4.4Å; F3-I126 HydrophobicContact CD1-CD1 3.75Å; F3-I126 HydrophobicContact CD1-CG1 3.87Å; F3-I126 HydrophobicContact CE1-CD1 3.81Å; F3-I126 HydrophobicContact CE1-CG1 4.37Å; F3-V237 HydrophobicContact CE1-CG1 4.22Å; F3-V237 HydrophobicContact CZ-CG1 4.43Å
4M96.4Very high94Very high2 Ų291.6 Ų91.61%0.0145%0.445CS..SBendtrans-116.4129.4179.7-175.2178.8-170.800109.8D2 D8 V9 V18 L20 I126 K129 L130 L239D2-M4 PolarHBondContact O-N 2.71Å; M4-D8 HydrophobicContact CE-CB 3.95Å; M4-D8 HydrophobicContact CG-CB 3.73Å; M4-V9 HydrophobicContact CE-CB 4.42Å; M4-V9 HydrophobicContact CE-CG2 3.8Å; M4-V9 HydrophobicContact CG-CG2 4.4Å; M4-V9 HydrophobicContact SD-CG2 4.18Å; M4-V18 HydrophobicContact CE-CG1 4.09Å; M4-L20 HydrophobicContact CB-CD1 4.2Å; M4-L20 HydrophobicContact CG-CD1 4.1Å; M4-L20 HydrophobicContact SD-CD1 4.39Å; M4-I126 HydrophobicContact CB-CG1 4.37Å; M4-I126 HydrophobicContact SD-CG2 4.03Å; M4-K129 HydrophobicContact CB-CG 4.36Å; M4-K129 HydrophobicContact CG-CG 4.39Å; M4-K129 WeakPolarHBondContact O-CE 3.22Å; M4-K129 HydrophobicContact SD-CG 4.47Å; M4-L130 HydrophobicContact CE-CD2 3.91Å; M4-L130 HydrophobicContact CE-CG 4.29Å; M4-L130 HydrophobicContact SD-CD2 4.44Å; M4-L130 HydrophobicContact SD-CG 4.21Å; M4-L239 HydrophobicContact CE-CD1 3.78Å; M4-L239 HydrophobicContact SD-CD1 3.96Å
5T97.1Very high94.3Very high67 Ų6786.9 Ų86.941%0.41142%0.424SS..  trans-89.2167.8-178.971.90000112.2Q7 D8 V9T5-Q7 PolarHBondContact O-N 3.18Å; T5-Q7 PolarHBondContact OG1-N 2.86Å; T5-D8 WeakPolarHBondContact CB-OD2 3.36Å; T5-D8 PolarHBondContact N-OD2 3.49Å; T5-D8 WeakPolarHBondContact O-CB 3.45Å; T5-D8 PolarHBondContact O-N 3.4Å; T5-D8 PolarHBondContact OG1-N 2.61Å; T5-D8 PolarHBondContact OG1-OD2 2.76Å; T5-V9 PolarHBondContact O-N 3.1Å; T5-V9 VanDerWaalsContact O-N 3.16Å
6D97.7Very high94.6Very high106 Ų10681.5 Ų81.557%0.56740%0.397SS*.Hα-helixtrans-65.1-30.9173.7-64.2-23.6000111.9D8 V9 Q10 K129D6-D8 VanDerWaalsContact C-N 3.34Å; D6-V9 PolarHBondContact O-N 3.13Å; D6-Q10 WeakPolarHBondContact O-CG 3.4Å; D6-Q10 PolarHBondContact O-N 3.26Å; D6-K129 WeakPolarHBondContact OD1-CE 3.49Å; D6-K129 IonicContact OD1-NZ 3.9Å; D6-K129 PolarHBondContact OD1-NZ 2.66Å
7Q97.9Very high94.8Very high160 Ų16077.6 Ų77.675%0.74838%0.377SS*.Hα-helixtrans-65.1-40.5174.6-176175.4-300111.1T5 V9 Q10 K11T5-Q7 PolarHBondContact O-N 3.18Å; T5-Q7 PolarHBondContact OG1-N 2.86Å; Q7-V9 VanDerWaalsContact C-N 3.31Å; Q7-V9 PolarHBondContact O-N 2.79Å; Q7-Q10 PolarHBondContact O-N 3.41Å; Q7-K11 WeakPolarHBondContact O-CB 3.44Å; Q7-K11 PolarHBondContact O-N 3.2Å
8D98.4Very high95Very high33 Ų3373.4 Ų73.418%0.17636%0.357CS..Hα-helixtrans-63.8-38.2175.7-58.1-44000111.7M4 T5 D6 K11 Y12 V18 L20M4-D8 HydrophobicContact CE-CB 3.95Å; M4-D8 HydrophobicContact CG-CB 3.73Å; T5-D8 WeakPolarHBondContact CB-OD2 3.36Å; T5-D8 PolarHBondContact N-OD2 3.49Å; T5-D8 WeakPolarHBondContact O-CB 3.45Å; T5-D8 PolarHBondContact O-N 3.4Å; T5-D8 PolarHBondContact OG1-N 2.61Å; T5-D8 PolarHBondContact OG1-OD2 2.76Å; D6-D8 VanDerWaalsContact C-N 3.34Å; D8-K11 PolarHBondContact O-N 3.04Å; D8-Y12 WeakPolarHBondContact O-CB 3.34Å; D8-Y12 PolarHBondContact O-N 2.8Å; D8-V18 HydrophobicContact CB-CG2 4.15Å; D8-L20 HydrophobicContact CB-CD2 3.84Å; D8-L20 VanDerWaalsContact CG-CD2 3.49Å
9V98.4Very high95.2Very high10 Ų1071.8 Ų71.86%0.06135%0.352CS..Hα-helixtrans-63-45174.8174.20000111.1M4 T5 D6 Q7 K11 Y12 K13 K129 L130M4-V9 HydrophobicContact CE-CB 4.42Å; M4-V9 HydrophobicContact CE-CG2 3.8Å; M4-V9 HydrophobicContact CG-CG2 4.4Å; M4-V9 HydrophobicContact SD-CG2 4.18Å; T5-V9 PolarHBondContact O-N 3.1Å; T5-V9 VanDerWaalsContact O-N 3.16Å; D6-V9 PolarHBondContact O-N 3.13Å; Q7-V9 VanDerWaalsContact C-N 3.31Å; Q7-V9 PolarHBondContact O-N 2.79Å; V9-K11 VanDerWaalsContact C-N 3.34Å; V9-Y12 PolarHBondContact O-N 3.04Å; V9-K13 HydrophobicContact CG1-CD 4.2Å; V9-K13 WeakPolarHBondContact O-CG 3.21Å; V9-K13 PolarHBondContact O-N 3.27Å; V9-K129 HydrophobicContact CG2-CG 3.76Å; V9-L130 HydrophobicContact CG1-CD2 4.33Å; V9-L130 HydrophobicContact CG2-CD2 4.32Å
10Q98.4Very high95.4Very high118 Ų11868.7 Ų68.755%0.55134%0.337SS*.Hα-helixtrans-63.7-42.7177.1-64.7-53.6-36.400111.3D6 Q7 K13 Q14D6-Q10 WeakPolarHBondContact O-CG 3.4Å; D6-Q10 PolarHBondContact O-N 3.26Å; Q7-Q10 PolarHBondContact O-N 3.41Å; Q10-K13 PolarHBondContact O-N 2.84Å; Q10-Q14 WeakPolarHBondContact O-CB 3.49Å; Q10-Q14 PolarHBondContact O-N 3.4Å
11K98.4Very high95.5Very high86 Ų8670.8 Ų70.837%0.37435%0.35SS..Hα-helixtrans-60.6-47.1176.5-17516917662.30111.8Q7 D8 V9 K13 Q14 D15 V18Q7-K11 WeakPolarHBondContact O-CB 3.44Å; Q7-K11 PolarHBondContact O-N 3.2Å; D8-K11 PolarHBondContact O-N 3.04Å; V9-K11 VanDerWaalsContact C-N 3.34Å; K11-K13 VanDerWaalsContact C-N 3.32Å; K11-K13 PolarHBondContact O-N 2.96Å; K11-Q14 PolarHBondContact O-N 2.9Å; K11-D15 WeakPolarHBondContact CG-OD2 3.3Å; K11-D15 IonicContact NZ-OD2 2.76Å; K11-D15 PolarHBondContact NZ-OD2 2.85Å; K11-D15 WeakPolarHBondContact O-CB 3.43Å; K11-D15 PolarHBondContact O-N 3.23Å; K11-V18 HydrophobicContact CB-CG2 4.33Å; K11-V18 HydrophobicContact CD-CG2 4.1Å; K11-V18 HydrophobicContact CG-CG2 4.28Å
12Y98.6Very high97.1Very high18 Ų1861.2 Ų61.27%0.07131%0.313CS..Hα-helixtrans-58.3-43.4176.5179-107.1000112.3D8 V9 G16 V18 L130 M171 L239 H241D8-Y12 WeakPolarHBondContact O-CB 3.34Å; D8-Y12 PolarHBondContact O-N 2.8Å; V9-Y12 PolarHBondContact O-N 3.04Å; Y12-G16 VanDerWaalsContact O-CA 3.24Å; Y12-G16 WeakPolarHBondContact O-CA 3.47Å; Y12-G16 PolarHBondContact O-N 2.72Å; Y12-V18 HydrophobicContact CD2-CG1 4.06Å; Y12-V18 HydrophobicContact CG-CG1 4.3Å; Y12-L130 HydrophobicContact CD1-CD1 4.45Å; Y12-L130 HydrophobicContact CD1-CD2 3.66Å; Y12-L130 HydrophobicContact CE1-CD1 4.27Å; Y12-L130 HydrophobicContact CE1-CD2 4.11Å; Y12-L130 HydrophobicContact CG-CD2 4.44Å; Y12-M171 WeakPolarHBondContact OH-CB 3.49Å; Y12-L239 HydrophobicContact CD2-CB 3.86Å; Y12-L239 HydrophobicContact CE2-CB 3.77Å; Y12-H241 HydrophobicContact CE2-CB 4.26Å; Y12-H241 VanDerWaalsContact OH-CA 3.28Å; Y12-H241 WeakPolarHBondContact OH-CA 3.3Å; Y12-H241 PolarHBondContact OH-N 2.88Å
13K98.1Very high97.8Very high127 Ų12755.9 Ų55.955%0.55228%0.284SS*.Hα-helixtrans-66.5-39.1178-73177.2178.1-1780112.7V9 Q10 K11 Q194V9-K13 HydrophobicContact CG1-CD 4.2Å; V9-K13 WeakPolarHBondContact O-CG 3.21Å; V9-K13 PolarHBondContact O-N 3.27Å; Q10-K13 PolarHBondContact O-N 2.84Å; K11-K13 VanDerWaalsContact C-N 3.32Å; K11-K13 PolarHBondContact O-N 2.96Å; K13-Q194 PolarHBondContact O-NE2 3.47Å
14Q98.3Very high98Very high141 Ų14153.5 Ų53.566%0.65927%0.274SS*.Hα-helixtrans-72.9-51.4-179.4-177.6178.4-4.500111.7Q10 K11 Q194Q10-Q14 WeakPolarHBondContact O-CB 3.49Å; Q10-Q14 PolarHBondContact O-N 3.4Å; K11-Q14 PolarHBondContact O-N 2.9Å; Q14-Q194 PolarHBondContact O-NE2 2.91Å
15D98.6Very high98.1Very high22 Ų2256.5 Ų56.512%0.11829%0.292CS..Hα-helixtrans-92.7-17.3-169-63.9-12.8000112.7K11 Y17 P191 G192 Q194K11-D15 WeakPolarHBondContact CG-OD2 3.3Å; K11-D15 IonicContact NZ-OD2 2.76Å; K11-D15 PolarHBondContact NZ-OD2 2.85Å; K11-D15 WeakPolarHBondContact O-CB 3.43Å; K11-D15 PolarHBondContact O-N 3.23Å; D15-Y17 HydrophobicContact CB-CD1 4.02Å; D15-Y17 HydrophobicContact CB-CE1 3.97Å; D15-Y17 PolarHBondContact O-N 3.25Å; D15-P191 HydrophobicContact CB-CB 4.16Å; D15-P191 WeakPolarHBondContact O-CA 3.42Å; D15-G192 PolarHBondContact O-N 2.86Å; D15-Q194 PolarHBondContact O-OE1 2.85Å
16G98.7Very high98.2Very high0 Ų057.1 Ų57.10%030%0.298CS..SBendtrans79.8-0.1-172.400000113.3Y12 H241 V244Y12-G16 VanDerWaalsContact O-CA 3.24Å; Y12-G16 WeakPolarHBondContact O-CA 3.47Å; Y12-G16 PolarHBondContact O-N 2.72Å; G16-H241 WeakPolarHBondContact O-CB 3.47Å; G16-H241 PolarHBondContact O-N 2.88Å; G16-V244 WeakPolarHBondContact O-CG1 3.5Å
17Y98.9Very high98.2Very high16 Ų1658.3 Ų58.36%0.06330%0.3CS..EExtended strand (participates in β ladder)trans-152.3160.2173.474.4-80000111.4D15 F189 P191 V230 V238 L239D15-Y17 HydrophobicContact CB-CD1 4.02Å; D15-Y17 HydrophobicContact CB-CE1 3.97Å; D15-Y17 PolarHBondContact O-N 3.25Å; Y17-F189 HydrophobicContact CD1-CB 3.69Å; Y17-F189 AromaticContact CD1-CD1 3.86Å; Y17-F189 HydrophobicContact CD1-CD1 3.86Å; Y17-F189 HydrophobicContact CD1-CD2 4.28Å; Y17-F189 AromaticContact CD1-CG 3.69Å; Y17-F189 HydrophobicContact CD1-CG 3.69Å; Y17-F189 HydrophobicContact CD2-CD2 4.03Å; Y17-F189 HydrophobicContact CD2-CE2 4.17Å; Y17-F189 HydrophobicContact CD2-CG 4.25Å; Y17-F189 HydrophobicContact CE1-CB 3.53Å; Y17-F189 HydrophobicContact CE1-CD2 4.39Å; Y17-F189 AromaticContact CE1-CG 3.94Å; Y17-F189 HydrophobicContact CE1-CG 3.94Å; Y17-F189 HydrophobicContact CE2-CD2 4.16Å; Y17-F189 HydrophobicContact CE2-CG 4.48Å; Y17-F189 HydrophobicContact CG-CB 4.35Å; Y17-F189 AromaticContact CG-CD1 3.91Å; Y17-F189 HydrophobicContact CG-CD1 3.91Å; Y17-F189 HydrophobicContact CG-CD2 4.09Å; Y17-F189 HydrophobicContact CG-CE1 4.21Å; Y17-F189 HydrophobicContact CG-CE2 4.34Å; Y17-F189 AromaticContact CG-CG 3.85Å; Y17-F189 HydrophobicContact CG-CG 3.85Å; Y17-F189 HydrophobicContact CG-CZ 4.4Å; Y17-P191 HydrophobicContact CE1-CB 4.27Å; Y17-P191 HydrophobicContact CE1-CG 4.06Å; Y17-V230 HydrophobicContact CD2-CG2 4.3Å; Y17-V230 HydrophobicContact CE2-CG1 4.22Å; Y17-V230 HydrophobicContact CE2-CG2 3.48Å; Y17-V230 VanDerWaalsContact CE2-CG2 3.48Å; Y17-V238 HydrophobicContact CD2-CG1 4.28Å; Y17-L239 WeakPolarHBondContact CA-O 3.33Å; Y17-L239 VanDerWaalsContact CB-O 3.24Å; Y17-L239 WeakPolarHBondContact CB-O 3.14Å
18V98.8Very high98.3Very high1 Ų153.7 Ų53.71%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-149.4144.3169.965.20000110.3M4 D8 K11 Y12 L20 V238 L239M4-V18 HydrophobicContact CE-CG1 4.09Å; D8-V18 HydrophobicContact CB-CG2 4.15Å; K11-V18 HydrophobicContact CB-CG2 4.33Å; K11-V18 HydrophobicContact CD-CG2 4.1Å; K11-V18 HydrophobicContact CG-CG2 4.28Å; Y12-V18 HydrophobicContact CD2-CG1 4.06Å; Y12-V18 HydrophobicContact CG-CG1 4.3Å; V18-L20 HydrophobicContact CG1-CG 4.48Å; V18-L20 HydrophobicContact CG2-CD2 4.15Å; V18-V238 CarbonylContact O-C 3.56Å; V18-V238 WeakPolarHBondContact O-CA 3.5Å; V18-L239 HydrophobicContact CG1-CB 3.91Å; V18-L239 HydrophobicContact CG1-CD1 3.7Å; V18-L239 HydrophobicContact CG1-CG 3.89Å; V18-L239 PolarHBondContact N-O 2.8Å; V18-L239 VanDerWaalsContact N-O 3.15Å; V18-L239 PolarHBondContact O-N 2.83Å
19V98.6Very high98.3Very high44 Ų4452.1 Ų52.127%0.26727%0.27SS..EExtended strand (participates in β ladder)trans-99.2130.3174.3-173.80000108.8V230 V232 V237 V238V19-V230 HydrophobicContact CG2-CG1 3.22Å; V19-V232 HydrophobicContact CG1-CG1 4.22Å; V19-V232 HydrophobicContact CG1-CG2 4.03Å; V19-V232 HydrophobicContact CG2-CG2 4.46Å; V19-V237 WeakPolarHBondContact CA-O 3.43Å; V19-V238 HydrophobicContact CG2-CG2 4.29Å
20L98.4Very high98.3Very high9 Ų955.3 Ų55.35%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-124.6123.4174.7-53.1174.3000108.9F3 M4 D8 V18 I126 G236 V237 L239F3-L20 HydrophobicContact CD1-CD1 4.18Å; F3-L20 HydrophobicContact CE1-CB 3.79Å; F3-L20 HydrophobicContact CE1-CD1 3.7Å; F3-L20 HydrophobicContact CE1-CG 4.39Å; F3-L20 HydrophobicContact CZ-CB 3.85Å; M4-L20 HydrophobicContact CB-CD1 4.2Å; M4-L20 HydrophobicContact CG-CD1 4.1Å; M4-L20 HydrophobicContact SD-CD1 4.39Å; D8-L20 HydrophobicContact CB-CD2 3.84Å; D8-L20 VanDerWaalsContact CG-CD2 3.49Å; V18-L20 HydrophobicContact CG1-CG 4.48Å; V18-L20 HydrophobicContact CG2-CD2 4.15Å; L20-I126 HydrophobicContact CD1-CD1 4.3Å; L20-I126 HydrophobicContact CD1-CG1 4.43Å; L20-G236 CarbonylContact O-C 3.55Å; L20-G236 WeakPolarHBondContact O-CA 3.04Å; L20-V237 HydrophobicContact CB-CG1 3.8Å; L20-V237 HydrophobicContact CD1-CG1 4.4Å; L20-V237 HydrophobicContact CG-CG1 4.48Å; L20-V237 PolarHBondContact N-O 2.65Å; L20-V237 PolarHBondContact O-N 2.9Å; L20-L239 HydrophobicContact CD1-CD1 4.04Å; L20-L239 HydrophobicContact CD1-CG 4.36Å
21D97.1Very high98.3Very high113 Ų11353.6 Ų53.660%0.60428%0.279SS*.SBendtrans-81.5152.8178.3-67.8-44.1000112F3 L23F3-D21 VanDerWaalsContact CE2-O 3.3Å; F3-D21 WeakPolarHBondContact CE2-O 3.44Å; F3-D21 WeakPolarHBondContact CZ-O 3.48Å; D21-L23 PolarHBondContact O-N 2.59Å
22G94.8Very high98.3Very high40 Ų4049.7 Ų49.741%0.41226%0.262SS..  trans69.728.3169.500000115.2F3 L24 K122F3-G22 WeakPolarHBondContact CE2-O 3.36Å; G22-L24 VanDerWaalsContact C-N 3.29Å; G22-K122 PolarHBondContact O-NZ 3.43Å
23L98.3Very high98.3Very high3 Ų351.4 Ų51.42%0.01627%0.27CS..SBendtrans-58.7-48.7167.7-177.173.3000109.1F3 D21 K122 V123 I126 I175 G235 V237F3-L23 HydrophobicContact CD1-CD1 4.12Å; F3-L23 HydrophobicContact CE1-CB 4.21Å; F3-L23 HydrophobicContact CE1-CD1 3.59Å; F3-L23 HydrophobicContact CE2-CB 4.41Å; F3-L23 VanDerWaalsContact CZ-CA 3.45Å; F3-L23 HydrophobicContact CZ-CB 3.69Å; F3-L23 HydrophobicContact CZ-CD1 3.86Å; F3-L23 HydrophobicContact CZ-CG 4.41Å; D21-L23 PolarHBondContact O-N 2.59Å; L23-K122 HydrophobicContact CD1-CB 3.75Å; L23-K122 HydrophobicContact CD1-CD 4.18Å; L23-K122 VanDerWaalsContact O-CD 3.27Å; L23-K122 WeakPolarHBondContact O-CD 3.38Å; L23-K122 PolarHBondContact O-NZ 3.03Å; L23-V123 HydrophobicContact CD1-CG2 4.36Å; L23-V123 HydrophobicContact CD2-CG2 4.45Å; L23-I126 HydrophobicContact CD1-CD1 4.03Å; L23-I175 HydrophobicContact CD2-CD1 3.53Å; L23-I175 HydrophobicContact CD2-CG1 3.74Å; L23-I175 HydrophobicContact CD2-CG2 4.37Å; L23-G235 WeakPolarHBondContact CB-O 3.43Å; L23-G235 PolarHBondContact N-O 3.25Å; L23-V237 HydrophobicContact CB-CB 4.07Å; L23-V237 HydrophobicContact CB-CG1 3.8Å; L23-V237 HydrophobicContact CD1-CG1 4.42Å; L23-V237 HydrophobicContact CD2-CB 3.68Å; L23-V237 HydrophobicContact CD2-CG1 3.9Å; L23-V237 HydrophobicContact CD2-CG2 3.96Å; L23-V237 HydrophobicContact CG-CB 4.43Å; L23-V237 HydrophobicContact CG-CG1 4.24Å
24L98.6Very high98.3Very high8 Ų850.8 Ų50.84%0.04227%0.269CS..SBendtrans-113150.3173.4-57.8-175.4000110.9G22 E28 L32 V117 I175 L177 G235G22-L24 VanDerWaalsContact C-N 3.29Å; L24-E28 HydrophobicContact CB-CB 4.17Å; L24-E28 HydrophobicContact CD2-CB 4.47Å; L24-L32 HydrophobicContact CD1-CD1 3.64Å; L24-V117 HydrophobicContact CD1-CG1 4.29Å; L24-V117 HydrophobicContact CD2-CG1 3.99Å; L24-V117 HydrophobicContact CD2-CG2 4.11Å; L24-I175 HydrophobicContact CD1-CG2 3.68Å; L24-I175 HydrophobicContact CG-CG2 4.07Å; L24-L177 HydrophobicContact CD1-CD2 4.23Å; L24-G235 PolarHBondContact N-O 3.42Å; L24-G235 WeakPolarHBondContact O-CA 3.5Å
25T98.5Very high98.3Very high64 Ų6446.8 Ų46.839%0.39325%0.247SC..  trans-74.6157.4165.961.70000110.5Q27 E28 C29T25-Q27 PolarHBondContact O-N 3.46Å; T25-E28 WeakPolarHBondContact CB-OE2 3.5Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.49Å; T25-E28 PolarHBondContact N-OE2 2.81Å; T25-E28 PolarHBondContact O-N 2.93Å; T25-E28 VanDerWaalsContact O-N 3.13Å; T25-E28 VanDerWaalsContact OG1-CG 3.3Å; T25-E28 WeakPolarHBondContact OG1-CG 3.34Å; T25-E28 PolarHBondContact OG1-N 2.81Å; T25-E28 PolarHBondContact OG1-OE2 2.82Å; T25-C29 PolarHBondContact O-N 2.87Å; T25-C29 VanDerWaalsContact O-N 3.1Å; T25-C29 PolarHBondContact O-SG 3.26Å
26P98.3Very high98.3Very high81 Ų8145.8 Ų45.853%0.52624%0.242SC..Hα-helixtrans-55.4-35.2174.7-28.436.2000113.5C29 D30 K234P26-C29 WeakPolarHBondContact O-CB 3.34Å; P26-C29 PolarHBondContact O-N 2.84Å; P26-D30 PolarHBondContact O-N 3.16Å; P26-D30 VanDerWaalsContact O-OD2 3.08Å; P26-K234 WeakPolarHBondContact O-CE 3.5Å; P26-K234 PolarHBondContact O-NZ 2.9Å
27Q98.5Very high98.2Very high130 Ų13047.6 Ų47.661%0.60726%0.257SS*.Hα-helixtrans-65.7-46.5176.5-177.5-176.5-15.700111.8T25 C29 D30 E31T25-Q27 PolarHBondContact O-N 3.46Å; Q27-C29 PolarHBondContact O-N 3.24Å; Q27-D30 PolarHBondContact O-N 3.4Å; Q27-D30 VanDerWaalsContact O-N 3.1Å; Q27-E31 PolarHBondContact NE2-OE1 2.96Å; Q27-E31 WeakPolarHBondContact O-CG 3.5Å; Q27-E31 PolarHBondContact O-N 3.32Å
28E98.6Very high98Very high64 Ų6450.1 Ų50.130%0.29927%0.269SS..Hα-helixtrans-60-37.4176.3-74.6167.1125.600111.5L24 T25 E31 L32L24-E28 HydrophobicContact CB-CB 4.17Å; L24-E28 HydrophobicContact CD2-CB 4.47Å; T25-E28 WeakPolarHBondContact CB-OE2 3.5Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.49Å; T25-E28 PolarHBondContact N-OE2 2.81Å; T25-E28 PolarHBondContact O-N 2.93Å; T25-E28 VanDerWaalsContact O-N 3.13Å; T25-E28 VanDerWaalsContact OG1-CG 3.3Å; T25-E28 WeakPolarHBondContact OG1-CG 3.34Å; T25-E28 PolarHBondContact OG1-N 2.81Å; T25-E28 PolarHBondContact OG1-OE2 2.82Å; E28-E31 PolarHBondContact O-N 2.83Å; E28-L32 WeakPolarHBondContact O-CG 3.44Å; E28-L32 PolarHBondContact O-N 3.36Å
29C98.8Very high97.9Very high0 Ų050.6 Ų50.60%027%0.272CS..Hα-helixtrans-63.2-43.9173.4-66.80000112.2T25 P26 Q27 L32 K33 L177 K234 G235T25-C29 PolarHBondContact O-N 2.87Å; T25-C29 VanDerWaalsContact O-N 3.1Å; T25-C29 PolarHBondContact O-SG 3.26Å; P26-C29 WeakPolarHBondContact O-CB 3.34Å; P26-C29 PolarHBondContact O-N 2.84Å; Q27-C29 PolarHBondContact O-N 3.24Å; C29-L32 PolarHBondContact O-N 2.91Å; C29-K33 WeakPolarHBondContact O-CG 3.41Å; C29-K33 PolarHBondContact O-N 3.27Å; C29-L177 HydrophobicContact CB-CB 4.47Å; C29-L177 HydrophobicContact CB-CD2 4.33Å; C29-K234 HydrophobicContact CB-CD 4.21Å; C29-K234 HydrophobicContact CB-CG 3.91Å; C29-G235 VanDerWaalsContact SG-CA 3.55Å
30D98.6Very high97.7Very high77 Ų7748.6 Ų48.641%0.41226%0.26SS..Hα-helixtrans-65.9-38.6177.8-70.9-36.9000112.2P26 Q27 K33 Q34 K234P26-D30 PolarHBondContact O-N 3.16Å; P26-D30 VanDerWaalsContact O-OD2 3.08Å; Q27-D30 PolarHBondContact O-N 3.4Å; Q27-D30 VanDerWaalsContact O-N 3.1Å; D30-K33 PolarHBondContact O-N 3.03Å; D30-Q34 WeakPolarHBondContact O-CB 3.33Å; D30-Q34 PolarHBondContact O-N 3.28Å; D30-K234 IonicContact OD1-NZ 2.71Å; D30-K234 PolarHBondContact OD1-NZ 3Å; D30-K234 IonicContact OD2-NZ 2.61Å; D30-K234 PolarHBondContact OD2-NZ 3.35Å
31E98.6Very high97.4Very high82 Ų8252.7 Ų52.738%0.38328%0.282SS..Hα-helixtrans-61.3-43.7174.1-72.8174.5-170.200111.6Q27 E28 R35Q27-E31 PolarHBondContact NE2-OE1 2.96Å; Q27-E31 WeakPolarHBondContact O-CG 3.5Å; Q27-E31 PolarHBondContact O-N 3.32Å; E28-E31 PolarHBondContact O-N 2.83Å; E31-R35 VanDerWaalsContact O-CB 3.32Å; E31-R35 WeakPolarHBondContact O-CB 3.41Å; E31-R35 PolarHBondContact O-N 3.1Å
32L98.8Very high97.1Very high3 Ų355 Ų552%0.01628%0.282CS..Hα-helixtrans-64.6-41.4174.9-70.6171.5000112.1L24 E28 C29 R35 M36 L113 Y114 V117 L177L24-L32 HydrophobicContact CD1-CD1 3.64Å; E28-L32 WeakPolarHBondContact O-CG 3.44Å; E28-L32 PolarHBondContact O-N 3.36Å; C29-L32 PolarHBondContact O-N 2.91Å; L32-R35 PolarHBondContact O-N 3.33Å; L32-M36 PolarHBondContact O-N 3Å; L32-L113 HydrophobicContact CD2-CB 3.87Å; L32-Y114 HydrophobicContact CB-CE1 4.39Å; L32-Y114 HydrophobicContact CD2-CD1 3.78Å; L32-Y114 HydrophobicContact CD2-CD2 4.47Å; L32-Y114 HydrophobicContact CD2-CE1 3.79Å; L32-Y114 HydrophobicContact CD2-CG 4.15Å; L32-Y114 PolarHBondContact O-OH 2.95Å; L32-V117 HydrophobicContact CD1-CG2 4.2Å; L32-V117 HydrophobicContact CD2-CG2 4.35Å; L32-L177 HydrophobicContact CB-CD1 4.18Å; L32-L177 HydrophobicContact CB-CD2 4.29Å; L32-L177 HydrophobicContact CD1-CD2 3.61Å
33K98.3Very high96.9Very high55 Ų5553.8 Ų53.824%0.23927%0.265CS..Hα-helixtrans-63.8-47.6176.5-75.8-174.869.4-165.40111.7C29 D30 R35 M36 A37 Y142 L177 E178 H258C29-K33 WeakPolarHBondContact O-CG 3.41Å; C29-K33 PolarHBondContact O-N 3.27Å; D30-K33 PolarHBondContact O-N 3.03Å; K33-R35 VanDerWaalsContact C-N 3.27Å; K33-R35 PolarHBondContact O-N 3.41Å; K33-M36 WeakPolarHBondContact O-CB 3.5Å; K33-M36 PolarHBondContact O-N 2.71Å; K33-M36 VanDerWaalsContact O-N 3.15Å; K33-A37 PolarHBondContact O-N 2.86Å; K33-Y142 WeakPolarHBondContact CG-OH 3.47Å; K33-L177 HydrophobicContact CD-CB 4.35Å; K33-L177 HydrophobicContact CG-CB 3.98Å; K33-L177 HydrophobicContact CG-CD1 4.34Å; K33-E178 HydrophobicContact CD-CG 3.87Å; K33-E178 WeakPolarHBondContact CE-OE1 3.09Å; K33-E178 IonicContact NZ-OE1 3.6Å; K33-E178 PolarHBondContact NZ-OE1 2.92Å; K33-H258 HydrophobicContact CG-CB 4.46Å
34Q98.4Very high96.2Very high114 Ų11460.4 Ų60.453%0.53330%0.301SS..Hα-helixtrans-59.4-43.3177.7-178.257.83500110.5D30 M36 A37 E38D30-Q34 WeakPolarHBondContact O-CB 3.33Å; D30-Q34 PolarHBondContact O-N 3.28Å; Q34-M36 VanDerWaalsContact C-N 3.34Å; Q34-M36 PolarHBondContact O-N 3.06Å; Q34-A37 WeakPolarHBondContact O-CB 3.34Å; Q34-A37 PolarHBondContact O-N 2.97Å; Q34-A37 VanDerWaalsContact O-N 3.16Å; Q34-E38 WeakPolarHBondContact O-CG 3.27Å; Q34-E38 PolarHBondContact O-N 3.05Å; Q34-E38 VanDerWaalsContact O-N 3.1Å
35R98.1Very high95.3Very high57 Ų5760.3 Ų60.322%0.21530%0.301CS..Hα-helixtrans-61.7-41.4176.2-178.659.6-173159.47.8112.6E31 L32 K33 A37 E38 I39 E111 L113 Y114E31-R35 VanDerWaalsContact O-CB 3.32Å; E31-R35 WeakPolarHBondContact O-CB 3.41Å; E31-R35 PolarHBondContact O-N 3.1Å; L32-R35 PolarHBondContact O-N 3.33Å; K33-R35 VanDerWaalsContact C-N 3.27Å; K33-R35 PolarHBondContact O-N 3.41Å; R35-A37 VanDerWaalsContact C-N 3.33Å; R35-A37 PolarHBondContact O-N 3.27Å; R35-E38 IonicContact CZ-OE2 2.92Å; R35-E38 IonicContact NH1-OE2 3.84Å; R35-E38 PolarHBondContact NH1-OE2 2.74Å; R35-E38 PolarHBondContact O-N 3.1Å; R35-I39 HydrophobicContact CG-CD1 4.09Å; R35-I39 VanDerWaalsContact O-CG1 3.3Å; R35-I39 WeakPolarHBondContact O-CG1 3.48Å; R35-I39 PolarHBondContact O-N 2.87Å; R35-E111 IonicContact CZ-OE2 3.59Å; R35-E111 IonicContact NE-OE2 2.71Å; R35-E111 PolarHBondContact NE-OE2 2.94Å; R35-E111 VanDerWaalsContact NH2-CD 3.34Å; R35-E111 IonicContact NH2-OE1 2.59Å; R35-E111 PolarHBondContact NH2-OE1 3.49Å; R35-E111 VanDerWaalsContact NH2-OE1 3.09Å; R35-E111 IonicContact NH2-OE2 2.65Å; R35-E111 PolarHBondContact NH2-OE2 2.97Å; R35-L113 HydrophobicContact CB-CD1 3.8Å; R35-L113 HydrophobicContact CG-CD1 4.02Å; R35-Y114 HydrophobicContact CG-CE2 4.26Å
36M98Very high94.3Very high1 Ų159.6 Ų59.61%0.00530%0.297CS..Hα-helixtrans-60.5-43.2173.9-173.149.858.400111.7L32 K33 Q34 E38 I39 V40 V103 L107 Y114 Y142 F144L32-M36 PolarHBondContact O-N 3Å; K33-M36 WeakPolarHBondContact O-CB 3.5Å; K33-M36 PolarHBondContact O-N 2.71Å; K33-M36 VanDerWaalsContact O-N 3.15Å; Q34-M36 VanDerWaalsContact C-N 3.34Å; Q34-M36 PolarHBondContact O-N 3.06Å; M36-E38 VanDerWaalsContact C-N 3.29Å; M36-E38 PolarHBondContact O-N 3.22Å; M36-I39 HydrophobicContact CE-CD1 4.23Å; M36-I39 WeakPolarHBondContact O-CB 2.97Å; M36-I39 PolarHBondContact O-N 3.14Å; M36-I39 VanDerWaalsContact O-N 3.1Å; M36-I39 HydrophobicContact SD-CB 4.34Å; M36-I39 HydrophobicContact SD-CG2 4.41Å; M36-V40 HydrophobicContact CG-CG2 4.22Å; M36-V40 VanDerWaalsContact O-CG2 3.31Å; M36-V40 WeakPolarHBondContact O-CG2 3.38Å; M36-V40 PolarHBondContact O-N 3.31Å; M36-V40 HydrophobicContact SD-CG2 3.98Å; M36-V103 HydrophobicContact CE-CB 4.27Å; M36-V103 HydrophobicContact CE-CG1 4.49Å; M36-V103 HydrophobicContact CE-CG2 4.4Å; M36-V103 HydrophobicContact SD-CB 4.25Å; M36-V103 HydrophobicContact SD-CG2 3.74Å; M36-L107 HydrophobicContact CE-CD1 3.97Å; M36-L107 HydrophobicContact CE-CD2 4Å; M36-Y114 WeakPolarHBondContact CB-OH 3.47Å; M36-Y114 HydrophobicContact CE-CE2 4.2Å; M36-Y114 VanDerWaalsContact CE-OH 3.26Å; M36-Y114 WeakPolarHBondContact CE-OH 3.32Å; M36-Y142 HydrophobicContact CB-CD2 4.31Å; M36-Y142 HydrophobicContact CB-CE1 4.32Å; M36-Y142 HydrophobicContact CB-CE2 3.84Å; M36-Y142 HydrophobicContact CE-CD1 4.31Å; M36-Y142 HydrophobicContact CE-CD2 3.62Å; M36-Y142 HydrophobicContact CE-CE2 4.29Å; M36-Y142 HydrophobicContact CE-CG 3.58Å; M36-Y142 HydrophobicContact CG-CD1 3.89Å; M36-Y142 HydrophobicContact CG-CD2 4.18Å; M36-Y142 HydrophobicContact CG-CE1 3.8Å; M36-Y142 HydrophobicContact CG-CE2 4.04Å; M36-Y142 HydrophobicContact CG-CG 4.06Å; M36-Y142 HydrophobicContact SD-CD1 4.47Å; M36-Y142 HydrophobicContact SD-CG 4.31Å; M36-F144 HydrophobicContact CG-CE1 3.78Å; M36-F144 HydrophobicContact CG-CZ 3.6Å; M36-F144 HydrophobicContact SD-CZ 3.89Å
37A96.3Very high93.3Very high37 Ų3760.9 Ų60.931%0.30630%0.299SS..Hα-helixtrans-56.9-44.317700000111.3K33 Q34 R35 I39 V40 D41K33-A37 PolarHBondContact O-N 2.86Å; Q34-A37 WeakPolarHBondContact O-CB 3.34Å; Q34-A37 PolarHBondContact O-N 2.97Å; Q34-A37 VanDerWaalsContact O-N 3.16Å; R35-A37 VanDerWaalsContact C-N 3.33Å; R35-A37 PolarHBondContact O-N 3.27Å; A37-I39 VanDerWaalsContact C-N 3.34Å; A37-I39 PolarHBondContact O-N 3.34Å; A37-V40 PolarHBondContact O-N 3.36Å; A37-D41 VanDerWaalsContact O-CG 3.32Å; A37-D41 PolarHBondContact O-N 3.24Å
38E96.3Very high92.1Very high69 Ų6957.9 Ų57.932%0.32229%0.285SS..Hα-helixtrans-66.8-31.4176.4-60.7172-172.200114.3Q34 R35 M36 R42Q34-E38 WeakPolarHBondContact O-CG 3.27Å; Q34-E38 PolarHBondContact O-N 3.05Å; Q34-E38 VanDerWaalsContact O-N 3.1Å; R35-E38 IonicContact CZ-OE2 2.92Å; R35-E38 IonicContact NH1-OE2 3.84Å; R35-E38 PolarHBondContact NH1-OE2 2.74Å; R35-E38 PolarHBondContact O-N 3.1Å; M36-E38 VanDerWaalsContact C-N 3.29Å; M36-E38 PolarHBondContact O-N 3.22Å; E38-R42 PolarHBondContact O-N 3.44Å; E38-R42 PolarHBondContact O-NE 2.75Å; E38-R42 IonicContact OE2-NH2 3.59Å; E38-R42 PolarHBondContact OE2-NH2 3.28Å
39I95.7Very high90.9Very high12 Ų1255.6 Ų55.66%0.06228%0.276CS..Hα-helixtrans-68.2-43.8174-68.7164000109R35 M36 A37 R42 M43 I77 F79 L107 E111 Y114R35-I39 HydrophobicContact CG-CD1 4.09Å; R35-I39 VanDerWaalsContact O-CG1 3.3Å; R35-I39 WeakPolarHBondContact O-CG1 3.48Å; R35-I39 PolarHBondContact O-N 2.87Å; M36-I39 HydrophobicContact CE-CD1 4.23Å; M36-I39 WeakPolarHBondContact O-CB 2.97Å; M36-I39 PolarHBondContact O-N 3.14Å; M36-I39 VanDerWaalsContact O-N 3.1Å; M36-I39 HydrophobicContact SD-CB 4.34Å; M36-I39 HydrophobicContact SD-CG2 4.41Å; A37-I39 VanDerWaalsContact C-N 3.34Å; A37-I39 PolarHBondContact O-N 3.34Å; I39-R42 CarbonylContact O-C 3.57Å; I39-R42 PolarHBondContact O-N 2.86Å; I39-M43 PolarHBondContact O-N 3.03Å; I39-I77 HydrophobicContact CG2-CG2 4.37Å; I39-F79 HydrophobicContact CG2-CE1 3.93Å; I39-F79 HydrophobicContact CG2-CZ 3.86Å; I39-L107 HydrophobicContact CD1-CD2 4.39Å; I39-E111 VanDerWaalsContact CD1-CD 3.48Å; I39-E111 HydrophobicContact CD1-CG 3.77Å; I39-Y114 HydrophobicContact CD1-CE2 4.12Å
40V93.9Very high89.7Confident2 Ų258.4 Ų58.41%0.01229%0.287CS..Hα-helixtrans-67.2-37.9178.3173.10000111.9M36 A37 R42 M43 F79 K96 Q97 L100 F144M36-V40 HydrophobicContact CG-CG2 4.22Å; M36-V40 VanDerWaalsContact O-CG2 3.31Å; M36-V40 WeakPolarHBondContact O-CG2 3.38Å; M36-V40 PolarHBondContact O-N 3.31Å; M36-V40 HydrophobicContact SD-CG2 3.98Å; A37-V40 PolarHBondContact O-N 3.36Å; V40-R42 VanDerWaalsContact C-N 3.27Å; V40-R42 PolarHBondContact O-N 3.13Å; V40-M43 WeakPolarHBondContact O-CB 3.39Å; V40-M43 PolarHBondContact O-N 2.82Å; V40-M43 VanDerWaalsContact O-N 3.09Å; V40-F79 HydrophobicContact CG2-CE1 4.46Å; V40-K96 HydrophobicContact CG1-CG 4.46Å; V40-K96 WeakPolarHBondContact O-CE 3.29Å; V40-K96 PolarHBondContact O-NZ 2.92Å; V40-K96 VanDerWaalsContact O-NZ 3.08Å; V40-Q97 HydrophobicContact CG1-CG 4.12Å; V40-L100 HydrophobicContact CB-CD1 4.13Å; V40-L100 HydrophobicContact CG1-CD1 3.61Å; V40-L100 HydrophobicContact CG2-CD1 3.35Å; V40-F144 HydrophobicContact CG2-CE1 4.32Å; V40-F144 HydrophobicContact CG2-CZ 3.89Å
41D92.5Very high87.7Confident95 Ų9556.5 Ų56.551%0.50828%0.278SS..Hα-helixtrans-61.3-41.1176.5-74.3-17.1000110.9A37 M43 K96 Q97A37-D41 VanDerWaalsContact O-CG 3.32Å; A37-D41 PolarHBondContact O-N 3.24Å; D41-M43 VanDerWaalsContact C-N 3.3Å; D41-M43 PolarHBondContact O-N 3.34Å; D41-K96 PolarHBondContact O-NZ 3.25Å; D41-K96 VanDerWaalsContact O-NZ 3.17Å; D41-Q97 PolarHBondContact OD1-NE2 3.16Å
42R91.4Very high85.5Confident162 Ų16256 Ų5661%0.61128%0.28SS*.THydrogen-bonded Turntrans-84.22.5176.4-68.7-179.8-78.6-154.9-11.8114.5E38 I39 V40 D44E38-R42 PolarHBondContact O-N 3.44Å; E38-R42 PolarHBondContact O-NE 2.75Å; E38-R42 IonicContact OE2-NH2 3.59Å; E38-R42 PolarHBondContact OE2-NH2 3.28Å; I39-R42 CarbonylContact O-C 3.57Å; I39-R42 PolarHBondContact O-N 2.86Å; V40-R42 VanDerWaalsContact C-N 3.27Å; V40-R42 PolarHBondContact O-N 3.13Å; R42-D44 PolarHBondContact O-N 2.83Å
43M90.3Very high82.5Confident14 Ų1462 Ų627%0.06931%0.307CS..  trans-58.6126.5180166.6174.171.800110.6I39 V40 D41 V45 F79 F81 F92 K96 L100I39-M43 PolarHBondContact O-N 3.03Å; V40-M43 WeakPolarHBondContact O-CB 3.39Å; V40-M43 PolarHBondContact O-N 2.82Å; V40-M43 VanDerWaalsContact O-N 3.09Å; D41-M43 VanDerWaalsContact C-N 3.3Å; D41-M43 PolarHBondContact O-N 3.34Å; M43-V45 HydrophobicContact CE-CG2 4.21Å; M43-V45 HydrophobicContact CG-CG2 3.3Å; M43-V45 HydrophobicContact SD-CG2 3.36Å; M43-V45 WeakPolarHBondContact SD-CG2 3.38Å; M43-F79 HydrophobicContact CB-CD1 4.12Å; M43-F79 HydrophobicContact CB-CD2 4.26Å; M43-F79 HydrophobicContact CB-CE1 3.68Å; M43-F79 HydrophobicContact CB-CE2 3.85Å; M43-F79 HydrophobicContact CB-CG 4.39Å; M43-F79 HydrophobicContact CB-CZ 3.53Å; M43-F79 HydrophobicContact CG-CB 4.29Å; M43-F79 HydrophobicContact CG-CD1 3.75Å; M43-F79 HydrophobicContact CG-CD2 3.47Å; M43-F79 VanDerWaalsContact CG-CD2 3.47Å; M43-F79 HydrophobicContact CG-CE1 3.8Å; M43-F79 HydrophobicContact CG-CE2 3.54Å; M43-F79 HydrophobicContact CG-CG 3.58Å; M43-F79 HydrophobicContact CG-CZ 3.7Å; M43-F79 HydrophobicContact SD-CB 3.32Å; M43-F79 WeakPolarHBondContact SD-CB 3.24Å; M43-F79 HydrophobicContact SD-CD1 3.16Å; M43-F79 WeakPolarHBondContact SD-CD1 3.42Å; M43-F79 HydrophobicContact SD-CD2 3.67Å; M43-F79 HydrophobicContact SD-CE1 3.78Å; M43-F79 HydrophobicContact SD-CE2 4.23Å; M43-F79 HydrophobicContact SD-CG 3.09Å; M43-F79 WeakPolarHBondContact SD-CG 3.33Å; M43-F79 HydrophobicContact SD-CZ 4.27Å; M43-F81 HydrophobicContact CE-CE1 3.72Å; M43-F81 HydrophobicContact CE-CZ 3.67Å; M43-F81 HydrophobicContact SD-CE1 4.25Å; M43-F81 HydrophobicContact SD-CZ 3.74Å; M43-F92 HydrophobicContact CE-CZ 4.25Å; M43-K96 HydrophobicContact CE-CD 3.93Å; M43-K96 HydrophobicContact CE-CG 3.54Å; M43-K96 PolarHBondContact O-NZ 3.31Å; M43-L100 HydrophobicContact CE-CD1 4.39Å; M43-L100 HydrophobicContact CE-CD2 4.29Å; M43-L100 HydrophobicContact SD-CD1 4.42Å; M43-L100 HydrophobicContact SD-CD2 4.01Å
44D83.9Confident79.8Confident141 Ų14160.4 Ų60.475%0.75430%0.302SS*.  trans-113.4122.7166.8-174.315.9000108.6R42R42-D44 PolarHBondContact O-N 2.83Å
45V78.8Confident76.9Confident7 Ų759.3 Ų59.34%0.04230%0.304CS..  trans-124.9126.1-175.8177.70000109.3M43 C49 R50 F79 F81M43-V45 HydrophobicContact CE-CG2 4.21Å; M43-V45 HydrophobicContact CG-CG2 3.3Å; M43-V45 HydrophobicContact SD-CG2 3.36Å; M43-V45 WeakPolarHBondContact SD-CG2 3.38Å; V45-C49 HydrophobicContact CG1-CB 3.46Å; V45-C49 VanDerWaalsContact CG1-CB 3.46Å; V45-R50 HydrophobicContact CB-CG 4.24Å; V45-R50 HydrophobicContact CG1-CG 3.78Å; V45-R50 PolarHBondContact O-NE 2.82Å; V45-F79 HydrophobicContact CG2-CB 4.05Å; V45-F79 HydrophobicContact CG2-CD2 4.14Å; V45-F79 HydrophobicContact CG2-CG 4.35Å; V45-F81 HydrophobicContact CB-CE2 4.41Å; V45-F81 HydrophobicContact CB-CZ 4.37Å; V45-F81 HydrophobicContact CG1-CE2 3.79Å; V45-F81 HydrophobicContact CG1-CZ 4.22Å; V45-F81 HydrophobicContact CG2-CE2 3.93Å; V45-F81 HydrophobicContact CG2-CZ 3.68Å
46P78.9Confident74.3Confident49 Ų4966.1 Ų66.132%0.31833%0.331SS..  trans-53.1141.4176-26.434.9000112.6H48 C49 Y69P46-H48 WeakPolarHBondContact CB-CE1 3.25Å; P46-H48 WeakPolarHBondContact CB-ND1 3.31Å; P46-H48 PolarHBondContact O-N 3.1Å; P46-H48 VanDerWaalsContact O-N 3.13Å; P46-C49 WeakPolarHBondContact O-CB 3.5Å; P46-C49 PolarHBondContact O-N 3.43Å; P46-Y69 HydrophobicContact CG-CD2 4.11Å; P46-Y69 HydrophobicContact CG-CE2 3.89Å
47D76.8Confident71.9Confident107 Ų10772.2 Ų72.257%0.57236%0.359SS*.G310 helixtrans-54.9-37.9-175.2-64.5-8.6000113.3C49 R50 T51D47-C49 PolarHBondContact O-N 3.08Å; D47-C49 VanDerWaalsContact O-N 3.16Å; D47-R50 PolarHBondContact O-N 3.2Å; D47-R50 IonicContact OD1-CZ 3.25Å; D47-R50 IonicContact OD1-NE 3.58Å; D47-R50 IonicContact OD1-NH2 2.71Å; D47-R50 PolarHBondContact OD1-NH2 2.83Å; D47-T51 PolarHBondContact O-N 3.25Å; D47-T51 PolarHBondContact O-OG1 3.19Å
48H72.3Confident69.8Low67 Ų6773.5 Ų73.531%0.3136%0.361SS..G310 helixtrans-62.4-23.2178.865.6-96.4000113.6P46 R50 G65 N66P46-H48 WeakPolarHBondContact CB-CE1 3.25Å; P46-H48 WeakPolarHBondContact CB-ND1 3.31Å; P46-H48 PolarHBondContact O-N 3.1Å; P46-H48 VanDerWaalsContact O-N 3.13Å; H48-R50 VanDerWaalsContact C-N 3.31Å; H48-G65 VanDerWaalsContact CD2-C 3.48Å; H48-G65 PolarHBondContact NE2-O 2.7Å; H48-N66 PolarHBondContact O-OD1 3Å
49C74.8Confident67.8Low17 Ų1773.4 Ų73.412%0.11536%0.361CS..G310 helixtrans-82.8-6.9174.2-67.90000113.2V45 P46 D47 N66V45-C49 HydrophobicContact CG1-CB 3.46Å; V45-C49 VanDerWaalsContact CG1-CB 3.46Å; P46-C49 WeakPolarHBondContact O-CB 3.5Å; P46-C49 PolarHBondContact O-N 3.43Å; D47-C49 PolarHBondContact O-N 3.08Å; D47-C49 VanDerWaalsContact O-N 3.16Å; C49-N66 VanDerWaalsContact CA-OD1 3.27Å; C49-N66 WeakPolarHBondContact CA-OD1 3.27Å; C49-N66 PolarHBondContact SG-OD1 3.45Å
50R72.5Confident66Low59 Ų5979.1 Ų79.122%0.22339%0.387CS..THydrogen-bonded Turntrans-110.4-20.9-177.2-59-169.4-77.1133.9-6113.5V45 D47 H48 F86 G90V45-R50 HydrophobicContact CB-CG 4.24Å; V45-R50 HydrophobicContact CG1-CG 3.78Å; V45-R50 PolarHBondContact O-NE 2.82Å; D47-R50 PolarHBondContact O-N 3.2Å; D47-R50 IonicContact OD1-CZ 3.25Å; D47-R50 IonicContact OD1-NE 3.58Å; D47-R50 IonicContact OD1-NH2 2.71Å; D47-R50 PolarHBondContact OD1-NH2 2.83Å; H48-R50 VanDerWaalsContact C-N 3.31Å; R50-F86 HydrophobicContact CB-CD1 4.11Å; R50-F86 HydrophobicContact CB-CE1 3.73Å; R50-F86 HydrophobicContact CB-CZ 4.05Å; R50-F86 HydrophobicContact CG-CE1 3.84Å; R50-F86 HydrophobicContact CG-CZ 3.95Å; R50-F86 WeakPolarHBondContact O-CB 3.49Å; R50-F86 VanDerWaalsContact O-CD1 3.3Å; R50-F86 WeakPolarHBondContact O-CD1 3.4Å; R50-F86 WeakPolarHBondContact O-CD2 3.26Å; R50-F86 WeakPolarHBondContact O-CG 3.2Å; R50-G90 WeakPolarHBondContact O-CA 3.29Å
51T57.4Low64.2Low37 Ų3784 Ų8423%0.22741%0.412CS..  trans-93.7130.2-171.9-21.80000114.2D47D47-T51 PolarHBondContact O-N 3.25Å; D47-T51 PolarHBondContact O-OG1 3.19Å
52T52.8Low62.6Low70 Ų7081 Ų8143%0.42940%0.395SS..  trans-96.7-21.1-179.953.40000114.9F86 D87T52-F86 HydrophobicContact CG2-CB 3.88Å; T52-D87 VanDerWaalsContact OG1-C 3.3Å; T52-D87 PolarHBondContact OG1-O 3.25Å
53F35Very low61.4Low130 Ų13078.7 Ų78.757%0.5739%0.389SS*.  trans-127.4135.8-174.7-166.7-93.4000113.4K62 D88F53-K62 VanDerWaalsContact C-NZ 3.31Å; F53-K62 PolarHBondContact O-NZ 3.39Å; F53-D88 HydrophobicContact CB-CB 3.7Å; F53-D88 HydrophobicContact CG-CB 4.31Å
54S41.1Very low60.1Low21 Ų2180.6 Ų80.615%0.14740%0.398CS..  trans-173.2174164.252.20000110.6D58 K62S54-D58 WeakPolarHBondContact OG-CB 3.47Å; S54-K62 WeakPolarHBondContact OG-CE 3.47Å; S54-K62 PolarHBondContact OG-NZ 3Å
55T37.1Very low59.5Low92 Ų9274.5 Ų74.556%0.56437%0.368SS*.  trans-57161.6-179.270.90000113H57 D58 E59T55-H57 PolarHBondContact O-N 3.28Å; T55-D58 PolarHBondContact N-OD2 2.92Å; T55-D58 WeakPolarHBondContact O-CB 3.44Å; T55-D58 PolarHBondContact O-N 2.76Å; T55-D58 PolarHBondContact OG1-OD2 3.29Å; T55-E59 PolarHBondContact O-N 3.04Å
56Y45.3Very low59.4Low200 Ų20077.2 Ų77.278%0.78438%0.383SS*.Hα-helixtrans-50.5-32.8-176.6-104.5-86.9000114.6
57H46Very low59.5Low128 Ų12876 Ų7659%0.59338%0.377SS*.Hα-helixtrans-74.5-41.5177.6-16866.6000112T55 Q60 L61T55-H57 PolarHBondContact O-N 3.28Å; H57-Q60 PolarHBondContact O-N 2.91Å; H57-L61 PolarHBondContact O-N 3.15Å
58D53.1Low59.9Low64 Ų6473.9 Ų73.934%0.34237%0.365SS..Hα-helixtrans-69.9-32.9177.8-59.5-40.7000111.8S54 T55 Q60 L61 K62S54-D58 WeakPolarHBondContact OG-CB 3.47Å; T55-D58 PolarHBondContact N-OD2 2.92Å; T55-D58 WeakPolarHBondContact O-CB 3.44Å; T55-D58 PolarHBondContact O-N 2.76Å; T55-D58 PolarHBondContact OG1-OD2 3.29Å; D58-Q60 PolarHBondContact O-N 2.81Å; D58-L61 PolarHBondContact O-N 2.88Å; D58-K62 WeakPolarHBondContact O-CB 3.48Å; D58-K62 WeakPolarHBondContact O-CG 3.39Å; D58-K62 PolarHBondContact O-N 2.91Å
59E55Low60.8Low68 Ų6871.7 Ų71.732%0.31836%0.355SS..Hα-helixtrans-61.6-40.2173.2-89.5-164.3-165.800112.7T55 K63T55-E59 PolarHBondContact O-N 3.04Å; E59-K63 WeakPolarHBondContact O-CB 3.42Å; E59-K63 VanDerWaalsContact O-CG 3.27Å; E59-K63 WeakPolarHBondContact O-CG 3.35Å; E59-K63 PolarHBondContact O-N 2.8Å; E59-K63 IonicContact OE2-NZ 3.96Å
60Q56Low61.5Low132 Ų13273.7 Ų73.762%0.61736%0.361SS*.Hα-helixtrans-67.7-44.1177.2-74.4-173.5-7.800111.3H57 D58 K62 K63 Q64H57-Q60 PolarHBondContact O-N 2.91Å; D58-Q60 PolarHBondContact O-N 2.81Å; Q60-K62 VanDerWaalsContact C-N 3.32Å; Q60-K62 PolarHBondContact O-N 3.44Å; Q60-K63 PolarHBondContact O-N 3.49Å; Q60-Q64 WeakPolarHBondContact O-CB 3.49Å; Q60-Q64 PolarHBondContact O-N 2.88Å
61L56.5Low62.5Low104 Ų10471.9 Ų71.955%0.54536%0.356SS..Hα-helixtrans-63.2-36.2176.2-70.1172000112.3H57 D58 G65H57-L61 PolarHBondContact O-N 3.15Å; D58-L61 PolarHBondContact O-N 2.88Å; L61-G65 PolarHBondContact O-N 2.87Å
62K59.6Low64.2Low31 Ų3173.5 Ų73.514%0.13537%0.366CS..Hα-helixtrans-68.5-46.3173.8-75.2171.3179.5-179.30112.5F53 S54 D58 Q60 Q64 G65 N66F53-K62 VanDerWaalsContact C-NZ 3.31Å; F53-K62 PolarHBondContact O-NZ 3.39Å; S54-K62 WeakPolarHBondContact OG-CE 3.47Å; S54-K62 PolarHBondContact OG-NZ 3Å; D58-K62 WeakPolarHBondContact O-CB 3.48Å; D58-K62 WeakPolarHBondContact O-CG 3.39Å; D58-K62 PolarHBondContact O-N 2.91Å; Q60-K62 VanDerWaalsContact C-N 3.32Å; Q60-K62 PolarHBondContact O-N 3.44Å; K62-Q64 PolarHBondContact O-N 3.38Å; K62-G65 PolarHBondContact O-N 3.05Å; K62-N66 WeakPolarHBondContact O-CB 3.44Å; K62-N66 VanDerWaalsContact O-CG 3.27Å; K62-N66 PolarHBondContact O-N 3.16Å
63K65.2Low66.2Low115 Ų11570.1 Ų70.150%0.535%0.345SS..Hα-helixtrans-60.1-38.3175.8-76.6176-176.81640111.1E59 Q60 A67 F210E59-K63 WeakPolarHBondContact O-CB 3.42Å; E59-K63 VanDerWaalsContact O-CG 3.27Å; E59-K63 WeakPolarHBondContact O-CG 3.35Å; E59-K63 PolarHBondContact O-N 2.8Å; E59-K63 IonicContact OE2-NZ 3.96Å; Q60-K63 PolarHBondContact O-N 3.49Å; K63-A67 VanDerWaalsContact O-CB 3.29Å; K63-A67 WeakPolarHBondContact O-CB 3.38Å; K63-A67 PolarHBondContact O-N 3.1Å; K63-A67 VanDerWaalsContact O-N 3.08Å; K63-F210 HydrophobicContact CB-CE1 4.28Å; K63-F210 HydrophobicContact CB-CZ 3.7Å
64Q63.2Low69.1Low54 Ų5464.5 Ų64.525%0.25232%0.324SS..Hα-helixtrans-63.7-54.1171.7-176.663.95200111.6Q60 K62 N66 A67 D68 F210Q60-Q64 WeakPolarHBondContact O-CB 3.49Å; Q60-Q64 PolarHBondContact O-N 2.88Å; K62-Q64 PolarHBondContact O-N 3.38Å; Q64-N66 VanDerWaalsContact C-N 3.34Å; Q64-N66 PolarHBondContact O-N 3.4Å; Q64-A67 CarbonylContact O-C 3.6Å; Q64-A67 WeakPolarHBondContact O-CB 3.33Å; Q64-A67 PolarHBondContact O-N 3.28Å; Q64-A67 VanDerWaalsContact O-N 3.09Å; Q64-D68 PolarHBondContact NE2-OD1 2.87Å; Q64-D68 PolarHBondContact NE2-OD2 3.42Å; Q64-D68 PolarHBondContact O-N 3.43Å; Q64-F210 HydrophobicContact CB-CE2 4.43Å
65G71.2Confident71.8Confident13 Ų1364 Ų6413%0.13432%0.32CS..Hα-helixtrans-58.8-4118000000113.6H48 L61 K62 D68 Y69H48-G65 VanDerWaalsContact CD2-C 3.48Å; H48-G65 PolarHBondContact NE2-O 2.7Å; L61-G65 PolarHBondContact O-N 2.87Å; K62-G65 PolarHBondContact O-N 3.05Å; G65-D68 PolarHBondContact O-N 2.9Å; G65-Y69 VanDerWaalsContact O-CB 3.29Å; G65-Y69 WeakPolarHBondContact O-CB 3.46Å; G65-Y69 PolarHBondContact O-N 3.08Å
66N77Confident74.7Confident64 Ų6463.6 Ų63.634%0.34231%0.31SS..Hα-helixtrans-66.4-39.4175.3-70.5-13.4000112.1H48 C49 K62 Q64 Y69 F70H48-N66 PolarHBondContact O-OD1 3Å; C49-N66 VanDerWaalsContact CA-OD1 3.27Å; C49-N66 WeakPolarHBondContact CA-OD1 3.27Å; C49-N66 PolarHBondContact SG-OD1 3.45Å; K62-N66 WeakPolarHBondContact O-CB 3.44Å; K62-N66 VanDerWaalsContact O-CG 3.27Å; K62-N66 PolarHBondContact O-N 3.16Å; Q64-N66 VanDerWaalsContact C-N 3.34Å; Q64-N66 PolarHBondContact O-N 3.4Å; N66-Y69 PolarHBondContact O-N 3.15Å; N66-F70 PolarHBondContact O-N 2.96Å
67A80.8Confident77.1Confident23 Ų2356 Ų5619%0.1928%0.282CS..Hα-helixtrans-65.5-41174.300000111.2K63 Q64 F70 I71 F210 L212K63-A67 VanDerWaalsContact O-CB 3.29Å; K63-A67 WeakPolarHBondContact O-CB 3.38Å; K63-A67 PolarHBondContact O-N 3.1Å; K63-A67 VanDerWaalsContact O-N 3.08Å; Q64-A67 CarbonylContact O-C 3.6Å; Q64-A67 WeakPolarHBondContact O-CB 3.33Å; Q64-A67 PolarHBondContact O-N 3.28Å; Q64-A67 VanDerWaalsContact O-N 3.09Å; A67-F70 PolarHBondContact O-N 3.19Å; A67-I71 WeakPolarHBondContact O-CB 3.35Å; A67-I71 PolarHBondContact O-N 3.43Å; A67-F210 HydrophobicContact CB-CE2 3.98Å; A67-L212 VanDerWaalsContact C-CD1 3.44Å; A67-L212 HydrophobicContact CB-CB 4.28Å; A67-L212 HydrophobicContact CB-CD1 3.53Å; A67-L212 HydrophobicContact CB-CG 3.84Å
68D86.9Confident79.5Confident63 Ų6352.1 Ų52.134%0.33726%0.263SS..Hα-helixtrans-65.6-41.9176-73-43.7000111.5Q64 G65 F70 I71 T72 L212Q64-D68 PolarHBondContact NE2-OD1 2.87Å; Q64-D68 PolarHBondContact NE2-OD2 3.42Å; Q64-D68 PolarHBondContact O-N 3.43Å; G65-D68 PolarHBondContact O-N 2.9Å; D68-F70 VanDerWaalsContact C-N 3.26Å; D68-F70 PolarHBondContact O-N 3.35Å; D68-I71 PolarHBondContact O-N 3.24Å; D68-T72 PolarHBondContact O-N 3.08Å; D68-T72 VanDerWaalsContact O-N 3.11Å; D68-T72 PolarHBondContact O-OG1 3.38Å; D68-L212 HydrophobicContact CB-CD1 4.49Å; D68-L212 WeakPolarHBondContact OD1-CD1 3.39Å
69Y89.9Confident81.4Confident21 Ų2149.9 Ų49.98%0.08225%0.25CC..Hα-helixtrans-62.3-32.8174.4-171.9-93.3000111.9P46 G65 N66 S73 R78 F79 F80P46-Y69 HydrophobicContact CG-CD2 4.11Å; P46-Y69 HydrophobicContact CG-CE2 3.89Å; G65-Y69 VanDerWaalsContact O-CB 3.29Å; G65-Y69 WeakPolarHBondContact O-CB 3.46Å; G65-Y69 PolarHBondContact O-N 3.08Å; N66-Y69 PolarHBondContact O-N 3.15Å; Y69-S73 WeakPolarHBondContact O-CB 3.37Å; Y69-R78 HydrophobicContact CD1-CB 4.48Å; Y69-R78 HydrophobicContact CE1-CB 3.59Å; Y69-R78 HydrophobicContact CE1-CG 3.88Å; Y69-R78 HydrophobicContact CE2-CB 4.47Å; Y69-R78 HydrophobicContact CE2-CG 3.87Å; Y69-R78 VanDerWaalsContact CZ-CG 3.46Å; Y69-R78 WeakPolarHBondContact O-CD 3.25Å; Y69-R78 PolarHBondContact O-NH1 3.08Å; Y69-R78 WeakPolarHBondContact OH-CA 3.45Å; Y69-R78 WeakPolarHBondContact OH-CB 3.46Å; Y69-R78 WeakPolarHBondContact OH-CG 3.4Å; Y69-F79 WeakPolarHBondContact CE1-O 3.34Å; Y69-F79 PolarHBondContact OH-N 3.46Å; Y69-F80 HydrophobicContact CD1-CE1 4.18Å; Y69-F80 HydrophobicContact CE1-CE1 4.38Å
70F90.7Very high83.1Confident59 Ų5948.3 Ų48.326%0.25924%0.242SC..Hα-helixtrans-75.5-54.3171.4172.5-106000112.1N66 A67 D68 T72 S73 F80 H105 W277N66-F70 PolarHBondContact O-N 2.96Å; A67-F70 PolarHBondContact O-N 3.19Å; D68-F70 VanDerWaalsContact C-N 3.26Å; D68-F70 PolarHBondContact O-N 3.35Å; F70-T72 PolarHBondContact O-N 2.95Å; F70-T72 VanDerWaalsContact O-N 3.14Å; F70-S73 VanDerWaalsContact O-CB 3.25Å; F70-S73 WeakPolarHBondContact O-CB 3.41Å; F70-S73 PolarHBondContact O-N 3.37Å; F70-S73 PolarHBondContact O-OG 3.38Å; F70-F80 HydrophobicContact CB-CE1 4.18Å; F70-F80 AromaticContact CD2-CE1 3.87Å; F70-F80 HydrophobicContact CD2-CE1 3.87Å; F70-F80 HydrophobicContact CD2-CZ 4.15Å; F70-H105 AromaticContact CE2-CE1 3.86Å; F70-W277 HydrophobicContact CD1-CE3 4.27Å; F70-W277 HydrophobicContact CD2-CZ3 4.47Å; F70-W277 HydrophobicContact CE1-CB 4.35Å; F70-W277 AromaticContact CE1-CD2 3.74Å; F70-W277 HydrophobicContact CE1-CD2 3.74Å; F70-W277 AromaticContact CE1-CE3 3.58Å; F70-W277 HydrophobicContact CE1-CE3 3.58Å; F70-W277 HydrophobicContact CE1-CG 4.08Å; F70-W277 HydrophobicContact CE1-CZ3 4.22Å; F70-W277 HydrophobicContact CE2-CD2 4.35Å; F70-W277 HydrophobicContact CE2-CE3 4.11Å; F70-W277 HydrophobicContact CE2-CH2 4.05Å; F70-W277 HydrophobicContact CE2-CZ2 4.27Å; F70-W277 AromaticContact CE2-CZ3 3.96Å; F70-W277 HydrophobicContact CE2-CZ3 3.96Å; F70-W277 AromaticContact CZ-CD2 3.46Å; F70-W277 HydrophobicContact CZ-CD2 3.46Å; F70-W277 VanDerWaalsContact CZ-CD2 3.46Å; F70-W277 AromaticContact CZ-CE2 3.75Å; F70-W277 AromaticContact CZ-CE3 3.49Å; F70-W277 HydrophobicContact CZ-CE3 3.49Å; F70-W277 VanDerWaalsContact CZ-CE3 3.49Å; F70-W277 HydrophobicContact CZ-CG 4.05Å; F70-W277 HydrophobicContact CZ-CH2 4.11Å; F70-W277 HydrophobicContact CZ-CZ2 4.07Å; F70-W277 AromaticContact CZ-CZ3 3.83Å; F70-W277 HydrophobicContact CZ-CZ3 3.83Å
71I91.8Very high84.8Confident21 Ų2143.8 Ų43.811%0.10822%0.22CC..Hα-helixtrans-65.8-25.7-169-154.371.9000113.3A67 D68 R204 L212 T213 W277A67-I71 WeakPolarHBondContact O-CB 3.35Å; A67-I71 PolarHBondContact O-N 3.43Å; D68-I71 PolarHBondContact O-N 3.24Å; I71-R204 HydrophobicContact CD1-CG 4.05Å; I71-R204 PolarHBondContact O-NH2 3.16Å; I71-L212 HydrophobicContact CB-CD1 4.34Å; I71-L212 HydrophobicContact CG2-CD1 3.88Å; I71-T213 HydrophobicContact CD1-CG2 3.85Å; I71-W277 HydrophobicContact CD1-CB 3.77Å; I71-W277 HydrophobicContact CD1-CE3 4.33Å; I71-W277 WeakPolarHBondContact CD1-O 3.28Å
72T93.8Very high86.1Confident70 Ų7039.7 Ų39.743%0.42920%0.199SC..THydrogen-bonded Turntrans-99.615.7177.861.80000113.3D68 F70 R78D68-T72 PolarHBondContact O-N 3.08Å; D68-T72 VanDerWaalsContact O-N 3.11Å; D68-T72 PolarHBondContact O-OG1 3.38Å; F70-T72 PolarHBondContact O-N 2.95Å; F70-T72 VanDerWaalsContact O-N 3.14Å; T72-R78 PolarHBondContact O-NH1 3Å; T72-R78 PolarHBondContact OG1-NH1 3.49Å; T72-R78 PolarHBondContact OG1-NH2 2.99Å
73S95.3Very high87.2Confident0 Ų048 Ų480%024%0.235CC..  trans-89.7-4.7-177.966.50000115Y69 F70 D75 K76 H105Y69-S73 WeakPolarHBondContact O-CB 3.37Å; F70-S73 VanDerWaalsContact O-CB 3.25Å; F70-S73 WeakPolarHBondContact O-CB 3.41Å; F70-S73 PolarHBondContact O-N 3.37Å; F70-S73 PolarHBondContact O-OG 3.38Å; S73-D75 PolarHBondContact O-N 2.88Å; S73-D75 VanDerWaalsContact O-N 3.16Å; S73-K76 PolarHBondContact O-N 3.16Å; S73-H105 PolarHBondContact O-N 2.86Å; S73-H105 PolarHBondContact OG-CE1 3Å; S73-H105 PolarHBondContact OG-ND1 3.37Å
74G96.3Very high88Confident12 Ų1245.3 Ų45.312%0.12424%0.239CC..THydrogen-bonded Turntrans-55.2-34.6-17300000114.6
75D97.4Very high89.1Confident11 Ų1143 Ų436%0.05923%0.229CC..THydrogen-bonded Turntrans-11732.7-179.968.8-21.9000111.7S73 Y110 T281 L284S73-D75 PolarHBondContact O-N 2.88Å; S73-D75 VanDerWaalsContact O-N 3.16Å; D75-Y110 VanDerWaalsContact O-CE2 3.25Å; D75-Y110 WeakPolarHBondContact O-CE2 3.36Å; D75-T281 HydrophobicContact CB-CG2 4.25Å; D75-T281 WeakPolarHBondContact OD2-CG2 3.48Å; D75-T281 PolarHBondContact OD2-OG1 3.39Å; D75-L284 HydrophobicContact CB-CB 3.69Å; D75-L284 HydrophobicContact CB-CD2 3.85Å; D75-L284 HydrophobicContact CB-CG 4.4Å
76K97.4Very high89.8Confident82 Ų8243.3 Ų43.336%0.35723%0.226SC..SBendtrans-135.2166.6179.6-57-67.3172.1-68.10111.3S73 R78 G104 H105 A106S73-K76 PolarHBondContact O-N 3.16Å; K76-R78 HydrophobicContact CB-CG 3.98Å; K76-G104 CarbonylContact O-C 3.53Å; K76-H105 PolarHBondContact O-N 2.89Å; K76-A106 WeakPolarHBondContact O-CB 3.48Å; K76-A106 PolarHBondContact O-N 3.46Å
77I96.9Very high90.1Very high41 Ų4142.9 Ų42.921%0.2122%0.224CC..EExtended strand (participates in β ladder)trans-106.3106.9164-62.7171.1000106.6I39 V103 L107 E111I39-I77 HydrophobicContact CG2-CG2 4.37Å; I77-V103 HydrophobicContact CG2-CG1 3.52Å; I77-L107 HydrophobicContact CD1-CD2 4.03Å; I77-L107 HydrophobicContact CG1-CD2 4.16Å; I77-L107 HydrophobicContact CG2-CD2 4.06Å; I77-E111 HydrophobicContact CD1-CG 3.46Å; I77-E111 VanDerWaalsContact CD1-CG 3.46Å
78R95.4Very high90Very high47 Ų4747 Ų4718%0.17724%0.243CC..EExtended strand (participates in β ladder)trans-131158.1-174.4-79.6-173.1174.5163.53.2110.3Y69 T72 K76 F80 V103 G104Y69-R78 HydrophobicContact CD1-CB 4.48Å; Y69-R78 HydrophobicContact CE1-CB 3.59Å; Y69-R78 HydrophobicContact CE1-CG 3.88Å; Y69-R78 HydrophobicContact CE2-CB 4.47Å; Y69-R78 HydrophobicContact CE2-CG 3.87Å; Y69-R78 VanDerWaalsContact CZ-CG 3.46Å; Y69-R78 WeakPolarHBondContact O-CD 3.25Å; Y69-R78 PolarHBondContact O-NH1 3.08Å; Y69-R78 WeakPolarHBondContact OH-CA 3.45Å; Y69-R78 WeakPolarHBondContact OH-CB 3.46Å; Y69-R78 WeakPolarHBondContact OH-CG 3.4Å; T72-R78 PolarHBondContact O-NH1 3Å; T72-R78 PolarHBondContact OG1-NH1 3.49Å; T72-R78 PolarHBondContact OG1-NH2 2.99Å; K76-R78 HydrophobicContact CB-CG 3.98Å; R78-F80 HydrophobicContact CB-CE2 4.14Å; R78-F80 HydrophobicContact CB-CZ 4.23Å; R78-V103 CarbonylContact O-C 3.55Å; R78-V103 VanDerWaalsContact O-CA 3.27Å; R78-V103 WeakPolarHBondContact O-CA 3.5Å; R78-V103 WeakPolarHBondContact O-CG1 3Å; R78-G104 WeakPolarHBondContact CA-O 3.46Å; R78-G104 PolarHBondContact N-O 2.76Å; R78-G104 PolarHBondContact O-N 2.7Å
79F93.8Very high89.6Confident16 Ų1652.1 Ų52.17%0.0726%0.262CS..EExtended strand (participates in β ladder)trans-118.4130.9-164.9-57-92.7000110.3I39 V40 M43 V45 Y69 F81 L100 V103I39-F79 HydrophobicContact CG2-CE1 3.93Å; I39-F79 HydrophobicContact CG2-CZ 3.86Å; V40-F79 HydrophobicContact CG2-CE1 4.46Å; M43-F79 HydrophobicContact CB-CD1 4.12Å; M43-F79 HydrophobicContact CB-CD2 4.26Å; M43-F79 HydrophobicContact CB-CE1 3.68Å; M43-F79 HydrophobicContact CB-CE2 3.85Å; M43-F79 HydrophobicContact CB-CG 4.39Å; M43-F79 HydrophobicContact CB-CZ 3.53Å; M43-F79 HydrophobicContact CG-CB 4.29Å; M43-F79 HydrophobicContact CG-CD1 3.75Å; M43-F79 HydrophobicContact CG-CD2 3.47Å; M43-F79 VanDerWaalsContact CG-CD2 3.47Å; M43-F79 HydrophobicContact CG-CE1 3.8Å; M43-F79 HydrophobicContact CG-CE2 3.54Å; M43-F79 HydrophobicContact CG-CG 3.58Å; M43-F79 HydrophobicContact CG-CZ 3.7Å; M43-F79 HydrophobicContact SD-CB 3.32Å; M43-F79 WeakPolarHBondContact SD-CB 3.24Å; M43-F79 HydrophobicContact SD-CD1 3.16Å; M43-F79 WeakPolarHBondContact SD-CD1 3.42Å; M43-F79 HydrophobicContact SD-CD2 3.67Å; M43-F79 HydrophobicContact SD-CE1 3.78Å; M43-F79 HydrophobicContact SD-CE2 4.23Å; M43-F79 HydrophobicContact SD-CG 3.09Å; M43-F79 WeakPolarHBondContact SD-CG 3.33Å; M43-F79 HydrophobicContact SD-CZ 4.27Å; V45-F79 HydrophobicContact CG2-CB 4.05Å; V45-F79 HydrophobicContact CG2-CD2 4.14Å; V45-F79 HydrophobicContact CG2-CG 4.35Å; Y69-F79 WeakPolarHBondContact CE1-O 3.34Å; Y69-F79 PolarHBondContact OH-N 3.46Å; F79-F81 HydrophobicContact CB-CE2 4.28Å; F79-F81 HydrophobicContact CB-CZ 4.3Å; F79-L100 HydrophobicContact CB-CD2 3.83Å; F79-L100 HydrophobicContact CD1-CD1 4.35Å; F79-L100 HydrophobicContact CD1-CD2 4.23Å; F79-V103 HydrophobicContact CD1-CG1 4.32Å; F79-V103 HydrophobicContact CD1-CG2 3.54Å; F79-V103 HydrophobicContact CE1-CG1 4.31Å; F79-V103 HydrophobicContact CE1-CG2 3.91Å; F79-V103 HydrophobicContact CG-CG2 4.5Å
80F90.6Very high89.1Confident36 Ų3651.2 Ų51.216%0.15826%0.26CS..EExtended strand (participates in β ladder)trans-126126.7-176.1-55.5-88.3000108.9Y69 F70 R78 N101 K102 H105Y69-F80 HydrophobicContact CD1-CE1 4.18Å; Y69-F80 HydrophobicContact CE1-CE1 4.38Å; F70-F80 HydrophobicContact CB-CE1 4.18Å; F70-F80 AromaticContact CD2-CE1 3.87Å; F70-F80 HydrophobicContact CD2-CE1 3.87Å; F70-F80 HydrophobicContact CD2-CZ 4.15Å; R78-F80 HydrophobicContact CB-CE2 4.14Å; R78-F80 HydrophobicContact CB-CZ 4.23Å; F80-N101 PolarHBondContact O-N 2.9Å; F80-K102 HydrophobicContact CB-CG 3.71Å; F80-K102 HydrophobicContact CD2-CD 4.38Å; F80-K102 HydrophobicContact CD2-CG 3.86Å; F80-K102 HydrophobicContact CG-CG 4.11Å; F80-K102 PolarHBondContact N-O 3.01Å; F80-K102 PolarHBondContact O-N 3.05Å; F80-H105 AromaticContact CE2-CE1 3.66Å; F80-H105 AromaticContact CZ-CE1 3.64Å
81F90.4Very high88.8Confident37 Ų3753.5 Ų53.516%0.16227%0.271CS..EExtended strand (participates in β ladder)trans-97.8155.1-167.5-63.3-86.5000112.3M43 V45 F79 V85 F86 F92 S99 L100M43-F81 HydrophobicContact CE-CE1 3.72Å; M43-F81 HydrophobicContact CE-CZ 3.67Å; M43-F81 HydrophobicContact SD-CE1 4.25Å; M43-F81 HydrophobicContact SD-CZ 3.74Å; V45-F81 HydrophobicContact CB-CE2 4.41Å; V45-F81 HydrophobicContact CB-CZ 4.37Å; V45-F81 HydrophobicContact CG1-CE2 3.79Å; V45-F81 HydrophobicContact CG1-CZ 4.22Å; V45-F81 HydrophobicContact CG2-CE2 3.93Å; V45-F81 HydrophobicContact CG2-CZ 3.68Å; F79-F81 HydrophobicContact CB-CE2 4.28Å; F79-F81 HydrophobicContact CB-CZ 4.3Å; F81-V85 HydrophobicContact CB-CG2 3.87Å; F81-V85 HydrophobicContact CD1-CG2 4.35Å; F81-V85 HydrophobicContact CG-CG2 4.49Å; F81-F86 HydrophobicContact CB-CE2 3.66Å; F81-F86 HydrophobicContact CB-CZ 4.14Å; F81-F86 AromaticContact CD1-CE2 3.98Å; F81-F86 HydrophobicContact CD1-CE2 3.98Å; F81-F86 AromaticContact CD1-CZ 3.55Å; F81-F86 HydrophobicContact CD1-CZ 3.55Å; F81-F86 AromaticContact CD2-CE2 3.82Å; F81-F86 HydrophobicContact CD2-CE2 3.82Å; F81-F86 AromaticContact CD2-CZ 3.69Å; F81-F86 HydrophobicContact CD2-CZ 3.69Å; F81-F86 AromaticContact CE1-CZ 3.79Å; F81-F86 HydrophobicContact CE1-CZ 3.79Å; F81-F86 AromaticContact CE2-CZ 3.96Å; F81-F86 HydrophobicContact CE2-CZ 3.96Å; F81-F86 AromaticContact CG-CE2 3.52Å; F81-F86 HydrophobicContact CG-CE2 3.52Å; F81-F86 AromaticContact CG-CZ 3.49Å; F81-F86 HydrophobicContact CG-CZ 3.49Å; F81-F86 VanDerWaalsContact CG-CZ 3.49Å; F81-F86 AromaticContact CZ-CZ 3.99Å; F81-F86 HydrophobicContact CZ-CZ 3.99Å; F81-F92 AromaticContact CD1-CE1 3.87Å; F81-F92 HydrophobicContact CD1-CE1 3.87Å; F81-F92 HydrophobicContact CD1-CZ 4.44Å; F81-F92 AromaticContact CE1-CE1 3.48Å; F81-F92 HydrophobicContact CE1-CE1 3.48Å; F81-F92 VanDerWaalsContact CE1-CE1 3.48Å; F81-F92 AromaticContact CE1-CZ 3.62Å; F81-F92 HydrophobicContact CE1-CZ 3.62Å; F81-F92 HydrophobicContact CZ-CE1 4.35Å; F81-F92 HydrophobicContact CZ-CZ 4.11Å; F81-S99 WeakPolarHBondContact CA-O 3.45Å; F81-L100 HydrophobicContact CD1-CD2 3.82Å; F81-L100 HydrophobicContact CD1-CG 4.41Å; F81-L100 HydrophobicContact CE1-CD2 3.57Å; F81-L100 HydrophobicContact CE1-CG 4.23Å; F81-L100 HydrophobicContact CG-CD2 4.41Å; F81-L100 HydrophobicContact CZ-CD2 3.96Å
82E85.3Confident88.5Confident18 Ų1855.4 Ų55.48%0.08428%0.278CS..PPolyproline II helixtrans-64.9155.7167.6-67.3-66.1175.600110.6V85 S99 N101 G151E82-V85 HydrophobicContact CB-CG1 3.69Å; E82-V85 VanDerWaalsContact O-CG2 3.3Å; E82-V85 WeakPolarHBondContact O-CG2 3.48Å; E82-S99 PolarHBondContact N-O 2.81Å; E82-N101 VanDerWaalsContact CD-ND2 3.29Å; E82-N101 HydrophobicContact CG-CB 4.06Å; E82-N101 PolarHBondContact OE1-ND2 2.91Å; E82-N101 PolarHBondContact OE2-ND2 2.62Å; E82-G151 PolarHBondContact OE1-N 3.07Å; E82-G151 PolarHBondContact OE2-N 3.19Å
83K81.5Confident88.3Confident206 Ų20657 Ų5790%0.89628%0.284SS*.THydrogen-bonded Turntrans-67.4137.4176-68.4-179.4-178.1173.60109.7
84G82.5Confident87.8Confident58 Ų5859.2 Ų59.260%0.59830%0.297SS*.THydrogen-bonded Turntrans77.716.3172.200000115.6F86 I93G84-F86 VanDerWaalsContact C-N 3.33Å; G84-I93 WeakPolarHBondContact O-CD1 3.3Å
85V85.6Confident87.4Confident5 Ų562 Ų623%0.0331%0.313CS..  trans-88.50.8177.8-58.80000114.5F81 E82 I93 V94 I149F81-V85 HydrophobicContact CB-CG2 3.87Å; F81-V85 HydrophobicContact CD1-CG2 4.35Å; F81-V85 HydrophobicContact CG-CG2 4.49Å; E82-V85 HydrophobicContact CB-CG1 3.69Å; E82-V85 VanDerWaalsContact O-CG2 3.3Å; E82-V85 WeakPolarHBondContact O-CG2 3.48Å; V85-I93 PolarHBondContact O-N 3.35Å; V85-V94 HydrophobicContact CB-CG2 4.04Å; V85-V94 HydrophobicContact CG1-CG2 4.03Å; V85-I149 HydrophobicContact CG1-CD1 4.25Å
86F85.9Confident86.8Confident19 Ų1964 Ų648%0.08332%0.321CS..BIsolated β-bridgetrans-121.5142.2177.5-59.6-73.8000110.6R50 T52 F81 G84 E91 F92R50-F86 HydrophobicContact CB-CD1 4.11Å; R50-F86 HydrophobicContact CB-CE1 3.73Å; R50-F86 HydrophobicContact CB-CZ 4.05Å; R50-F86 HydrophobicContact CG-CE1 3.84Å; R50-F86 HydrophobicContact CG-CZ 3.95Å; R50-F86 WeakPolarHBondContact O-CB 3.49Å; R50-F86 VanDerWaalsContact O-CD1 3.3Å; R50-F86 WeakPolarHBondContact O-CD1 3.4Å; R50-F86 WeakPolarHBondContact O-CD2 3.26Å; R50-F86 WeakPolarHBondContact O-CG 3.2Å; T52-F86 HydrophobicContact CG2-CB 3.88Å; F81-F86 HydrophobicContact CB-CE2 3.66Å; F81-F86 HydrophobicContact CB-CZ 4.14Å; F81-F86 AromaticContact CD1-CE2 3.98Å; F81-F86 HydrophobicContact CD1-CE2 3.98Å; F81-F86 AromaticContact CD1-CZ 3.55Å; F81-F86 HydrophobicContact CD1-CZ 3.55Å; F81-F86 AromaticContact CD2-CE2 3.82Å; F81-F86 HydrophobicContact CD2-CE2 3.82Å; F81-F86 AromaticContact CD2-CZ 3.69Å; F81-F86 HydrophobicContact CD2-CZ 3.69Å; F81-F86 AromaticContact CE1-CZ 3.79Å; F81-F86 HydrophobicContact CE1-CZ 3.79Å; F81-F86 AromaticContact CE2-CZ 3.96Å; F81-F86 HydrophobicContact CE2-CZ 3.96Å; F81-F86 AromaticContact CG-CE2 3.52Å; F81-F86 HydrophobicContact CG-CE2 3.52Å; F81-F86 AromaticContact CG-CZ 3.49Å; F81-F86 HydrophobicContact CG-CZ 3.49Å; F81-F86 VanDerWaalsContact CG-CZ 3.49Å; F81-F86 AromaticContact CZ-CZ 3.99Å; F81-F86 HydrophobicContact CZ-CZ 3.99Å; G84-F86 VanDerWaalsContact C-N 3.33Å; F86-E91 CarbonylContact C-O 3.45Å; F86-E91 VanDerWaalsContact CA-O 3.26Å; F86-E91 WeakPolarHBondContact CA-O 3.48Å; F86-F92 AromaticContact CD1-CD1 3.93Å; F86-F92 HydrophobicContact CD1-CD1 3.93Å; F86-F92 HydrophobicContact CD1-CE1 4.08Å; F86-F92 HydrophobicContact CD1-CG 4.4Å; F86-F92 AromaticContact CE1-CD1 3.51Å; F86-F92 HydrophobicContact CE1-CD1 3.51Å; F86-F92 HydrophobicContact CE1-CD2 4.47Å; F86-F92 AromaticContact CE1-CE1 3.19Å; F86-F92 HydrophobicContact CE1-CE1 3.19Å; F86-F92 HydrophobicContact CE1-CE2 4.21Å; F86-F92 HydrophobicContact CE1-CG 4.16Å; F86-F92 AromaticContact CE1-CZ 3.59Å; F86-F92 HydrophobicContact CE1-CZ 3.59Å; F86-F92 HydrophobicContact CZ-CD1 4.27Å; F86-F92 AromaticContact CZ-CE1 3.63Å; F86-F92 HydrophobicContact CZ-CE1 3.63Å; F86-F92 HydrophobicContact CZ-CZ 4.08Å
87D83.7Confident86.1Confident55 Ų5564.1 Ų64.129%0.29432%0.323SS..  trans-76.7178.5168.774.84.8000111.8T52 K89 G90 E91 I93T52-D87 VanDerWaalsContact OG1-C 3.3Å; T52-D87 PolarHBondContact OG1-O 3.25Å; D87-K89 PolarHBondContact O-N 2.83Å; D87-K89 WeakPolarHBondContact OD1-CA 3.48Å; D87-K89 WeakPolarHBondContact OD1-CB 3.46Å; D87-K89 PolarHBondContact OD1-N 3.16Å; D87-G90 PolarHBondContact O-N 3.05Å; D87-G90 PolarHBondContact OD1-N 3.34Å; D87-E91 PolarHBondContact N-O 2.91Å; D87-E91 PolarHBondContact OD1-N 3.21Å; D87-I93 HydrophobicContact CB-CG2 3.65Å
88D79Confident85.6Confident110 Ų11066.9 Ų66.959%0.58834%0.335SS*.THydrogen-bonded Turntrans-59.4-20.4-180-64.9-23.7000113.6F53F53-D88 HydrophobicContact CB-CB 3.7Å; F53-D88 HydrophobicContact CG-CB 4.31Å
89K78.6Confident85.3Confident171 Ų17164.7 Ų64.774%0.74333%0.326SS*.THydrogen-bonded Turntrans-91.8-6.9177.4-60.1177.6-177.4174.10112.6D87 E91D87-K89 PolarHBondContact O-N 2.83Å; D87-K89 WeakPolarHBondContact OD1-CA 3.48Å; D87-K89 WeakPolarHBondContact OD1-CB 3.46Å; D87-K89 PolarHBondContact OD1-N 3.16Å; K89-E91 HydrophobicContact CB-CG 4.36Å
90G79.1Confident85.1Confident2 Ų263.9 Ų63.92%0.02132%0.323CS..SBendtrans80.418.6-17600000114.5R50 D87R50-G90 WeakPolarHBondContact O-CA 3.29Å; D87-G90 PolarHBondContact O-N 3.05Å; D87-G90 PolarHBondContact OD1-N 3.34Å
91E85Confident85.1Confident106 Ų10663.8 Ų63.850%0.49532%0.324SS..  trans-86146.3172.5-63-58.3143.800110.1F86 D87 K89 I93F86-E91 CarbonylContact C-O 3.45Å; F86-E91 VanDerWaalsContact CA-O 3.26Å; F86-E91 WeakPolarHBondContact CA-O 3.48Å; D87-E91 PolarHBondContact N-O 2.91Å; D87-E91 PolarHBondContact OD1-N 3.21Å; K89-E91 HydrophobicContact CB-CG 4.36Å; E91-I93 PolarHBondContact O-N 3.15Å
92F85.8Confident85.3Confident61 Ų6164.8 Ų64.827%0.26833%0.328SS..BIsolated β-bridgetrans-67.4125.2179.2-73.8-71.6000111.1M43 F81 F86 V94 K96 S99M43-F92 HydrophobicContact CE-CZ 4.25Å; F81-F92 AromaticContact CD1-CE1 3.87Å; F81-F92 HydrophobicContact CD1-CE1 3.87Å; F81-F92 HydrophobicContact CD1-CZ 4.44Å; F81-F92 AromaticContact CE1-CE1 3.48Å; F81-F92 HydrophobicContact CE1-CE1 3.48Å; F81-F92 VanDerWaalsContact CE1-CE1 3.48Å; F81-F92 AromaticContact CE1-CZ 3.62Å; F81-F92 HydrophobicContact CE1-CZ 3.62Å; F81-F92 HydrophobicContact CZ-CE1 4.35Å; F81-F92 HydrophobicContact CZ-CZ 4.11Å; F86-F92 AromaticContact CD1-CD1 3.93Å; F86-F92 HydrophobicContact CD1-CD1 3.93Å; F86-F92 HydrophobicContact CD1-CE1 4.08Å; F86-F92 HydrophobicContact CD1-CG 4.4Å; F86-F92 AromaticContact CE1-CD1 3.51Å; F86-F92 HydrophobicContact CE1-CD1 3.51Å; F86-F92 HydrophobicContact CE1-CD2 4.47Å; F86-F92 AromaticContact CE1-CE1 3.19Å; F86-F92 HydrophobicContact CE1-CE1 3.19Å; F86-F92 HydrophobicContact CE1-CE2 4.21Å; F86-F92 HydrophobicContact CE1-CG 4.16Å; F86-F92 AromaticContact CE1-CZ 3.59Å; F86-F92 HydrophobicContact CE1-CZ 3.59Å; F86-F92 HydrophobicContact CZ-CD1 4.27Å; F86-F92 AromaticContact CZ-CE1 3.63Å; F86-F92 HydrophobicContact CZ-CE1 3.63Å; F86-F92 HydrophobicContact CZ-CZ 4.08Å; F92-V94 WeakPolarHBondContact CB-O 3.22Å; F92-K96 HydrophobicContact CD2-CB 4.47Å; F92-K96 HydrophobicContact CE2-CB 4.34Å; F92-K96 HydrophobicContact CE2-CG 4.11Å; F92-K96 HydrophobicContact CZ-CB 4.47Å; F92-K96 HydrophobicContact CZ-CG 4.05Å; F92-S99 VanDerWaalsContact CD1-OG 3.28Å; F92-S99 WeakPolarHBondContact CD1-OG 3.29Å
93I88.8Confident85.8Confident105 Ų10563.9 Ų63.954%0.53832%0.324SS..SBendtrans-92.8-12.717465.9171.3000113.1G84 V85 D87 E91G84-I93 WeakPolarHBondContact O-CD1 3.3Å; V85-I93 PolarHBondContact O-N 3.35Å; D87-I93 HydrophobicContact CB-CG2 3.65Å; E91-I93 PolarHBondContact O-N 3.15Å
94V85.2Confident86.5Confident45 Ų4554.1 Ų54.127%0.27328%0.282SS..SBendtrans-125.7157.7169.9-60.10000109.1V85 F92 K96 S99 I149V85-V94 HydrophobicContact CB-CG2 4.04Å; V85-V94 HydrophobicContact CG1-CG2 4.03Å; F92-V94 WeakPolarHBondContact CB-O 3.22Å; V94-K96 PolarHBondContact O-N 3.24Å; V94-S99 VanDerWaalsContact CG2-OG 3.24Å; V94-S99 WeakPolarHBondContact CG2-OG 3.46Å; V94-S99 PolarHBondContact O-OG 2.96Å; V94-I149 HydrophobicContact CG2-CD1 4.49Å
95P87.1Confident87.3Confident71 Ų7151.6 Ų51.646%0.46125%0.254SS..  trans-51.4136.6-179.4-27.535.5000112.3Q97 Q98 S99P95-Q97 PolarHBondContact O-N 2.98Å; P95-Q98 HydrophobicContact CB-CG 4.4Å; P95-Q98 CarbonylContact O-C 3.54Å; P95-Q98 WeakPolarHBondContact O-CA 3.49Å; P95-Q98 WeakPolarHBondContact O-CB 3.35Å; P95-Q98 PolarHBondContact O-N 2.83Å; P95-S99 PolarHBondContact O-N 3.42Å; P95-S99 PolarHBondContact O-OG 3.22Å; P95-S99 VanDerWaalsContact O-OG 3.07Å
96K84.5Confident87.9Confident54 Ų5451.3 Ų51.324%0.23525%0.253CS..G310 helixtrans-45.5-40.9-177.6179-178.4-179.7-173.70113.2V40 D41 M43 F92 V94 Q98 S99V40-K96 HydrophobicContact CG1-CG 4.46Å; V40-K96 WeakPolarHBondContact O-CE 3.29Å; V40-K96 PolarHBondContact O-NZ 2.92Å; V40-K96 VanDerWaalsContact O-NZ 3.08Å; D41-K96 PolarHBondContact O-NZ 3.25Å; D41-K96 VanDerWaalsContact O-NZ 3.17Å; M43-K96 HydrophobicContact CE-CD 3.93Å; M43-K96 HydrophobicContact CE-CG 3.54Å; M43-K96 PolarHBondContact O-NZ 3.31Å; F92-K96 HydrophobicContact CD2-CB 4.47Å; F92-K96 HydrophobicContact CE2-CB 4.34Å; F92-K96 HydrophobicContact CE2-CG 4.11Å; F92-K96 HydrophobicContact CZ-CB 4.47Å; F92-K96 HydrophobicContact CZ-CG 4.05Å; V94-K96 PolarHBondContact O-N 3.24Å; K96-Q98 VanDerWaalsContact C-N 3.26Å; K96-Q98 PolarHBondContact O-N 3.26Å; K96-S99 PolarHBondContact O-N 2.8Å
97Q84.1Confident88.5Confident84 Ų8450.4 Ų50.439%0.39325%0.249SC..G310 helixtrans-69-23.3-179.5-64.577.94.900113.3V40 D41 P95 Q146V40-Q97 HydrophobicContact CG1-CG 4.12Å; D41-Q97 PolarHBondContact OD1-NE2 3.16Å; P95-Q97 PolarHBondContact O-N 2.98Å; Q97-Q146 PolarHBondContact O-NE2 3.22Å
98Q86.6Confident89.2Confident99 Ų9947.9 Ų47.946%0.46324%0.235SC..G310 helixtrans-96.7-7.2177.3-63.1178.811.200112.6P95 K96 Q146 I149P95-Q98 HydrophobicContact CB-CG 4.4Å; P95-Q98 CarbonylContact O-C 3.54Å; P95-Q98 WeakPolarHBondContact O-CA 3.49Å; P95-Q98 WeakPolarHBondContact O-CB 3.35Å; P95-Q98 PolarHBondContact O-N 2.83Å; K96-Q98 VanDerWaalsContact C-N 3.26Å; K96-Q98 PolarHBondContact O-N 3.26Å; Q98-Q146 WeakPolarHBondContact O-CG 3.31Å; Q98-I149 WeakPolarHBondContact O-CD1 3.47Å
99S88.4Confident90.1Very high0 Ų043.5 Ų43.50%021%0.214CC..SBendtrans-85.4-12.2-176.7-52.10000114.1F81 E82 F92 V94 P95 K96F81-S99 WeakPolarHBondContact CA-O 3.45Å; E82-S99 PolarHBondContact N-O 2.81Å; F92-S99 VanDerWaalsContact CD1-OG 3.28Å; F92-S99 WeakPolarHBondContact CD1-OG 3.29Å; V94-S99 VanDerWaalsContact CG2-OG 3.24Å; V94-S99 WeakPolarHBondContact CG2-OG 3.46Å; V94-S99 PolarHBondContact O-OG 2.96Å; P95-S99 PolarHBondContact O-N 3.42Å; P95-S99 PolarHBondContact O-OG 3.22Å; P95-S99 VanDerWaalsContact O-OG 3.07Å; K96-S99 PolarHBondContact O-N 2.8Å
100L90.8Very high91.1Very high0 Ų040.8 Ų40.80%020%0.2CC..EExtended strand (participates in β ladder)trans-87.2130.6-171.5-71.5167.1000112.1V40 M43 F79 F81 F144 Q146V40-L100 HydrophobicContact CB-CD1 4.13Å; V40-L100 HydrophobicContact CG1-CD1 3.61Å; V40-L100 HydrophobicContact CG2-CD1 3.35Å; M43-L100 HydrophobicContact CE-CD1 4.39Å; M43-L100 HydrophobicContact CE-CD2 4.29Å; M43-L100 HydrophobicContact SD-CD1 4.42Å; M43-L100 HydrophobicContact SD-CD2 4.01Å; F79-L100 HydrophobicContact CB-CD2 3.83Å; F79-L100 HydrophobicContact CD1-CD1 4.35Å; F79-L100 HydrophobicContact CD1-CD2 4.23Å; F81-L100 HydrophobicContact CD1-CD2 3.82Å; F81-L100 HydrophobicContact CD1-CG 4.41Å; F81-L100 HydrophobicContact CE1-CD2 3.57Å; F81-L100 HydrophobicContact CE1-CG 4.23Å; F81-L100 HydrophobicContact CG-CD2 4.41Å; F81-L100 HydrophobicContact CZ-CD2 3.96Å; L100-F144 HydrophobicContact CB-CD2 3.68Å; L100-F144 HydrophobicContact CB-CE2 3.55Å; L100-F144 HydrophobicContact CB-CG 4.25Å; L100-F144 HydrophobicContact CB-CZ 4.03Å; L100-F144 HydrophobicContact CD1-CE1 4.42Å; L100-F144 HydrophobicContact CD1-CE2 3.97Å; L100-F144 HydrophobicContact CD1-CZ 3.74Å; L100-F144 HydrophobicContact CG-CE2 4.35Å; L100-F144 WeakPolarHBondContact O-CB 3.33Å; L100-Q146 WeakPolarHBondContact O-CG 3.3Å; L100-Q146 PolarHBondContact O-NE2 3.46Å; L100-Q146 VanDerWaalsContact O-NE2 3.13Å
101N90.4Very high92Very high33 Ų3342 Ų4218%0.17621%0.205CC..EExtended strand (participates in β ladder)trans-81.9-51.1166178.3-95.7000110.2F80 E82 F144F80-N101 PolarHBondContact O-N 2.9Å; E82-N101 VanDerWaalsContact CD-ND2 3.29Å; E82-N101 HydrophobicContact CG-CB 4.06Å; E82-N101 PolarHBondContact OE1-ND2 2.91Å; E82-N101 PolarHBondContact OE2-ND2 2.62Å; N101-F144 PolarHBondContact O-N 3.08Å; N101-F144 VanDerWaalsContact O-N 3.09Å
102K93.6Very high92.6Very high58 Ų5840.6 Ų40.625%0.25221%0.211SC..EExtended strand (participates in β ladder)trans-153.6161.5-179.168.6177.573.7-179.90114.5F80 M141 Y142 I143F80-K102 HydrophobicContact CB-CG 3.71Å; F80-K102 HydrophobicContact CD2-CD 4.38Å; F80-K102 HydrophobicContact CD2-CG 3.86Å; F80-K102 HydrophobicContact CG-CG 4.11Å; F80-K102 PolarHBondContact N-O 3.01Å; F80-K102 PolarHBondContact O-N 3.05Å; K102-M141 HydrophobicContact CD-SD 4Å; K102-Y142 CarbonylContact C-O 3.54Å; K102-Y142 WeakPolarHBondContact CA-O 3.32Å; K102-Y142 WeakPolarHBondContact CB-O 3.19Å; K102-I143 HydrophobicContact CB-CG1 4.44Å
103V96.6Very high93.2Very high0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-119136.3164.9179.90000109.2M36 I77 R78 F79 L107 M141 Y142 F144M36-V103 HydrophobicContact CE-CB 4.27Å; M36-V103 HydrophobicContact CE-CG1 4.49Å; M36-V103 HydrophobicContact CE-CG2 4.4Å; M36-V103 HydrophobicContact SD-CB 4.25Å; M36-V103 HydrophobicContact SD-CG2 3.74Å; I77-V103 HydrophobicContact CG2-CG1 3.52Å; R78-V103 CarbonylContact O-C 3.55Å; R78-V103 VanDerWaalsContact O-CA 3.27Å; R78-V103 WeakPolarHBondContact O-CA 3.5Å; R78-V103 WeakPolarHBondContact O-CG1 3Å; F79-V103 HydrophobicContact CD1-CG1 4.32Å; F79-V103 HydrophobicContact CD1-CG2 3.54Å; F79-V103 HydrophobicContact CE1-CG1 4.31Å; F79-V103 HydrophobicContact CE1-CG2 3.91Å; F79-V103 HydrophobicContact CG-CG2 4.5Å; V103-L107 HydrophobicContact CG1-CD1 4.35Å; V103-L107 HydrophobicContact CG1-CD2 4.27Å; V103-L107 HydrophobicContact CG1-CG 4.45Å; V103-M141 CarbonylContact O-C 3.53Å; V103-M141 WeakPolarHBondContact O-CA 3.5Å; V103-Y142 PolarHBondContact N-O 3.01Å; V103-Y142 PolarHBondContact O-N 2.87Å; V103-F144 HydrophobicContact CG2-CE2 3.82Å; V103-F144 HydrophobicContact CG2-CZ 4.05Å
104G96.1Very high93.7Very high0 Ų035.3 Ų35.30%019%0.187CC..EExtended strand (participates in β ladder)trans-165.7174.9-179.700000113.4K76 R78K76-G104 CarbonylContact O-C 3.53Å; R78-G104 WeakPolarHBondContact CA-O 3.46Å; R78-G104 PolarHBondContact N-O 2.76Å; R78-G104 PolarHBondContact O-N 2.7Å
105H97.9Very high94.3Very high5 Ų537.9 Ų37.92%0.02319%0.194CC..EExtended strand (participates in β ladder)cis-117.5102.7-62.488.4000113.6F70 S73 K76 F80 Q139 S140 W277F70-H105 AromaticContact CE2-CE1 3.86Å; S73-H105 PolarHBondContact O-N 2.86Å; S73-H105 PolarHBondContact OG-CE1 3Å; S73-H105 PolarHBondContact OG-ND1 3.37Å; K76-H105 PolarHBondContact O-N 2.89Å; F80-H105 AromaticContact CE2-CE1 3.66Å; F80-H105 AromaticContact CZ-CE1 3.64Å; H105-Q139 HydrophobicContact CB-CB 4.23Å; H105-Q139 PolarHBondContact CD2-OE1 3Å; H105-Q139 CarbonylContact O-C 3.33Å; H105-S140 CarbonylContact C-O 3.34Å; H105-S140 WeakPolarHBondContact CA-O 3.35Å; H105-S140 PolarHBondContact O-N 2.68Å; H105-S140 VanDerWaalsContact O-O 3.09Å; H105-S140 PolarHBondContact O-OG 3.01Å; H105-W277 HydrophobicContact CB-CH2 4.41Å; H105-W277 AromaticContact CD2-CH2 3.83Å; H105-W277 AromaticContact CE1-CH2 3.57Å; H105-W277 AromaticContact CG-CH2 3.69Å; H105-W277 AromaticContact ND1-CH2 3.53Å; H105-W277 AromaticContact NE2-CH2 3.79Å
106A98.6Very high94.8Very high0 Ų041.2 Ų41.20%020%0.201CC..BIsolated β-bridgetrans-123.430.4-174.400000115.5K76 H108 A109 Y110 L284K76-A106 WeakPolarHBondContact O-CB 3.48Å; K76-A106 PolarHBondContact O-N 3.46Å; A106-H108 PolarHBondContact O-N 3.14Å; A106-A109 HydrophobicContact CB-CB 4.36Å; A106-A109 PolarHBondContact O-N 2.84Å; A106-Y110 HydrophobicContact CB-CD2 3.68Å; A106-Y110 HydrophobicContact CB-CE2 3.72Å; A106-Y110 WeakPolarHBondContact O-CD2 3.13Å; A106-Y110 PolarHBondContact O-N 3.27Å; A106-Y110 VanDerWaalsContact O-N 3.15Å; A106-L284 HydrophobicContact CB-CD2 3.86Å
107L98.8Very high95.5Very high0 Ų039.2 Ų39.20%019%0.194CC..Hα-helixtrans-52.1-41.3171.4-71.9166000112.2M36 I39 I77 V103 A109 E111 Y114 S140 Y260M36-L107 HydrophobicContact CE-CD1 3.97Å; M36-L107 HydrophobicContact CE-CD2 4Å; I39-L107 HydrophobicContact CD1-CD2 4.39Å; I77-L107 HydrophobicContact CD1-CD2 4.03Å; I77-L107 HydrophobicContact CG1-CD2 4.16Å; I77-L107 HydrophobicContact CG2-CD2 4.06Å; V103-L107 HydrophobicContact CG1-CD1 4.35Å; V103-L107 HydrophobicContact CG1-CD2 4.27Å; V103-L107 HydrophobicContact CG1-CG 4.45Å; L107-A109 PolarHBondContact O-N 3.2Å; L107-A109 VanDerWaalsContact O-N 3.15Å; L107-E111 HydrophobicContact CD2-CB 4.4Å; L107-E111 HydrophobicContact CD2-CG 3.92Å; L107-E111 PolarHBondContact O-N 3.44Å; L107-Y114 HydrophobicContact CB-CD2 4.42Å; L107-Y114 HydrophobicContact CB-CG 4.18Å; L107-Y114 HydrophobicContact CD2-CD2 4.24Å; L107-Y114 HydrophobicContact CD2-CE2 4.27Å; L107-S140 PolarHBondContact N-OG 2.67Å; L107-Y260 HydrophobicContact CB-CE2 4.31Å
108H98.8Very high96.2Very high2 Ų235.2 Ų35.21%0.00918%0.175CC..Hα-helixtrans-59.2-24.4177.771.2-84.8000113.9A106 K115 T118 I137 S140 Y260A106-H108 PolarHBondContact O-N 3.14Å; H108-K115 VanDerWaalsContact O-CA 3.31Å; H108-K115 WeakPolarHBondContact O-CA 3.38Å; H108-K115 WeakPolarHBondContact O-CB 3.41Å; H108-K115 WeakPolarHBondContact O-CG 3.3Å; H108-T118 HydrophobicContact CB-CG2 4.09Å; H108-I137 HydrophobicContact CB-CG2 4.22Å; H108-I137 VanDerWaalsContact CD2-CG2 3.42Å; H108-I137 WeakPolarHBondContact CD2-CG2 3.15Å; H108-S140 PolarHBondContact N-OG 3.48Å; H108-S140 WeakPolarHBondContact ND1-CB 3.49Å; H108-S140 PolarHBondContact ND1-OG 3.43Å; H108-Y260 WeakPolarHBondContact CB-OH 3.37Å
109A98.2Very high96.8Very high17 Ų1731.8 Ų31.814%0.1416%0.159CC..Hα-helixtrans-95.6-43.8-176.400000112.1A106 L107 L284A106-A109 HydrophobicContact CB-CB 4.36Å; A106-A109 PolarHBondContact O-N 2.84Å; L107-A109 PolarHBondContact O-N 3.2Å; L107-A109 VanDerWaalsContact O-N 3.15Å; A109-L284 HydrophobicContact CB-CD1 3.74Å; A109-L284 HydrophobicContact CB-CD2 3.81Å; A109-L284 HydrophobicContact CB-CG 4.46Å
110Y98.1Very high97.3Very high115 Ų11532.9 Ų32.945%0.45117%0.167SC..Hα-helixtrans-106.5-16-167-60.6-64.4000114.9D75 A106 L284D75-Y110 VanDerWaalsContact O-CE2 3.25Å; D75-Y110 WeakPolarHBondContact O-CE2 3.36Å; A106-Y110 HydrophobicContact CB-CD2 3.68Å; A106-Y110 HydrophobicContact CB-CE2 3.72Å; A106-Y110 WeakPolarHBondContact O-CD2 3.13Å; A106-Y110 PolarHBondContact O-N 3.27Å; A106-Y110 VanDerWaalsContact O-N 3.15Å; Y110-L284 HydrophobicContact CE2-CD2 4.03Å
111E98.3Very high97.6Very high28 Ų2838.3 Ų38.313%0.13120%0.202CC..  trans-107.3117.9177.2-75.3-70.8154.100111.7R35 I39 I77 L107 L113 Y114 K115R35-E111 IonicContact CZ-OE2 3.59Å; R35-E111 IonicContact NE-OE2 2.71Å; R35-E111 PolarHBondContact NE-OE2 2.94Å; R35-E111 VanDerWaalsContact NH2-CD 3.34Å; R35-E111 IonicContact NH2-OE1 2.59Å; R35-E111 PolarHBondContact NH2-OE1 3.49Å; R35-E111 VanDerWaalsContact NH2-OE1 3.09Å; R35-E111 IonicContact NH2-OE2 2.65Å; R35-E111 PolarHBondContact NH2-OE2 2.97Å; I39-E111 VanDerWaalsContact CD1-CD 3.48Å; I39-E111 HydrophobicContact CD1-CG 3.77Å; I77-E111 HydrophobicContact CD1-CG 3.46Å; I77-E111 VanDerWaalsContact CD1-CG 3.46Å; L107-E111 HydrophobicContact CD2-CB 4.4Å; L107-E111 HydrophobicContact CD2-CG 3.92Å; L107-E111 PolarHBondContact O-N 3.44Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 2.94Å; E111-Y114 HydrophobicContact CB-CD2 3.57Å; E111-Y114 HydrophobicContact CB-CE2 4.37Å; E111-Y114 HydrophobicContact CB-CG 4.44Å; E111-Y114 HydrophobicContact CG-CD2 4.34Å; E111-Y114 PolarHBondContact O-N 2.91Å; E111-Y114 VanDerWaalsContact O-N 3.16Å; E111-K115 WeakPolarHBondContact O-CB 3.42Å; E111-K115 PolarHBondContact O-N 2.88Å
112A98.3Very high98Very high76 Ų7640.5 Ų40.563%0.62821%0.21SC*.Hα-helixtrans-57.2-40.9-16800000113.8K116A112-K116 VanDerWaalsContact O-CB 3.3Å; A112-K116 WeakPolarHBondContact O-CB 3.45Å; A112-K116 PolarHBondContact O-N 2.92Å
113L98.2Very high98.2Very high55 Ų5537.8 Ų37.829%0.28820%0.198SC..Hα-helixtrans-69.4-43.8179.6-66.6-177.5000112.2L32 R35 E111 K116 V117L32-L113 HydrophobicContact CD2-CB 3.87Å; R35-L113 HydrophobicContact CB-CD1 3.8Å; R35-L113 HydrophobicContact CG-CD1 4.02Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 2.94Å; L113-K116 PolarHBondContact O-N 3.07Å; L113-V117 WeakPolarHBondContact O-CG2 3.35Å; L113-V117 PolarHBondContact O-N 3.41Å
114Y98.8Very high98.3Very high0 Ų038.5 Ų38.50%020%0.201CC..Hα-helixtrans-67.2-39.9177.1-64.4-81.4000111.4L32 R35 M36 I39 L107 E111 V117 T118 Y142 Y260L32-Y114 HydrophobicContact CB-CE1 4.39Å; L32-Y114 HydrophobicContact CD2-CD1 3.78Å; L32-Y114 HydrophobicContact CD2-CD2 4.47Å; L32-Y114 HydrophobicContact CD2-CE1 3.79Å; L32-Y114 HydrophobicContact CD2-CG 4.15Å; L32-Y114 PolarHBondContact O-OH 2.95Å; R35-Y114 HydrophobicContact CG-CE2 4.26Å; M36-Y114 WeakPolarHBondContact CB-OH 3.47Å; M36-Y114 HydrophobicContact CE-CE2 4.2Å; M36-Y114 VanDerWaalsContact CE-OH 3.26Å; M36-Y114 WeakPolarHBondContact CE-OH 3.32Å; I39-Y114 HydrophobicContact CD1-CE2 4.12Å; L107-Y114 HydrophobicContact CB-CD2 4.42Å; L107-Y114 HydrophobicContact CB-CG 4.18Å; L107-Y114 HydrophobicContact CD2-CD2 4.24Å; L107-Y114 HydrophobicContact CD2-CE2 4.27Å; E111-Y114 HydrophobicContact CB-CD2 3.57Å; E111-Y114 HydrophobicContact CB-CE2 4.37Å; E111-Y114 HydrophobicContact CB-CG 4.44Å; E111-Y114 HydrophobicContact CG-CD2 4.34Å; E111-Y114 PolarHBondContact O-N 2.91Å; E111-Y114 VanDerWaalsContact O-N 3.16Å; Y114-V117 PolarHBondContact O-N 3.09Å; Y114-T118 WeakPolarHBondContact O-CB 3.21Å; Y114-T118 PolarHBondContact O-N 3.23Å; Y114-T118 PolarHBondContact O-OG1 3.1Å; Y114-Y142 AromaticContact CE1-CD2 3.82Å; Y114-Y142 HydrophobicContact CE1-CD2 3.82Å; Y114-Y142 HydrophobicContact CE1-CE2 4.22Å; Y114-Y142 AromaticContact CZ-CD2 3.97Å; Y114-Y142 WeakPolarHBondContact OH-CD2 3.39Å; Y114-Y142 WeakPolarHBondContact OH-CE2 3.15Å; Y114-Y260 HydrophobicContact CD1-CD1 4.02Å; Y114-Y260 AromaticContact CD1-CD2 3.4Å; Y114-Y260 HydrophobicContact CD1-CD2 3.4Å; Y114-Y260 HydrophobicContact CD1-CE1 4.12Å; Y114-Y260 AromaticContact CD1-CE2 3.5Å; Y114-Y260 HydrophobicContact CD1-CE2 3.5Å; Y114-Y260 AromaticContact CD1-CG 3.68Å; Y114-Y260 HydrophobicContact CD1-CG 3.68Å; Y114-Y260 AromaticContact CD1-CZ 3.89Å; Y114-Y260 AromaticContact CE1-CD2 3.79Å; Y114-Y260 HydrophobicContact CE1-CD2 3.79Å; Y114-Y260 HydrophobicContact CE1-CE2 4.31Å; Y114-Y260 HydrophobicContact CE1-CG 4.01Å; Y114-Y260 HydrophobicContact CG-CD2 4.45Å; Y114-Y260 HydrophobicContact CG-CE2 4.17Å
115K98.7Very high98.4Very high99 Ų9940 Ų4043%0.4322%0.218SC..Hα-helixtrans-58.2-49.5171.6-172.4168.5-171.5167.90111.6H108 E111 V117 T118 H119H108-K115 VanDerWaalsContact O-CA 3.31Å; H108-K115 WeakPolarHBondContact O-CA 3.38Å; H108-K115 WeakPolarHBondContact O-CB 3.41Å; H108-K115 WeakPolarHBondContact O-CG 3.3Å; E111-K115 WeakPolarHBondContact O-CB 3.42Å; E111-K115 PolarHBondContact O-N 2.88Å; K115-V117 VanDerWaalsContact C-N 3.31Å; K115-V117 PolarHBondContact O-N 2.87Å; K115-T118 PolarHBondContact O-N 2.87Å; K115-H119 PolarHBondContact O-CD2 3.47Å; K115-H119 VanDerWaalsContact O-CD2 3.24Å; K115-H119 PolarHBondContact O-N 3.08Å
116K98.4Very high98.4Very high140 Ų14040 Ų4061%0.60922%0.217SC*.Hα-helixtrans-56.1-44.6178-179.7-174.3174.3-168.30112A112 L113 S120A112-K116 VanDerWaalsContact O-CB 3.3Å; A112-K116 WeakPolarHBondContact O-CB 3.45Å; A112-K116 PolarHBondContact O-N 2.92Å; L113-K116 PolarHBondContact O-N 3.07Å; K116-S120 PolarHBondContact O-N 2.79Å; K116-S120 VanDerWaalsContact O-N 3.15Å
117V98.6Very high98.4Very high12 Ų1240 Ų407%0.07322%0.218CC..Hα-helixtrans-67.4-45.9178.3166.60000111.6L24 L32 L113 Y114 K115 H119 S120 I175 Y260L24-V117 HydrophobicContact CD1-CG1 4.29Å; L24-V117 HydrophobicContact CD2-CG1 3.99Å; L24-V117 HydrophobicContact CD2-CG2 4.11Å; L32-V117 HydrophobicContact CD1-CG2 4.2Å; L32-V117 HydrophobicContact CD2-CG2 4.35Å; L113-V117 WeakPolarHBondContact O-CG2 3.35Å; L113-V117 PolarHBondContact O-N 3.41Å; Y114-V117 PolarHBondContact O-N 3.09Å; K115-V117 VanDerWaalsContact C-N 3.31Å; K115-V117 PolarHBondContact O-N 2.87Å; V117-H119 VanDerWaalsContact C-N 3.31Å; V117-H119 PolarHBondContact O-N 2.79Å; V117-S120 WeakPolarHBondContact O-CB 3.37Å; V117-S120 PolarHBondContact O-N 2.85Å; V117-S120 VanDerWaalsContact O-N 3.08Å; V117-S120 PolarHBondContact O-OG 3.42Å; V117-I175 HydrophobicContact CG1-CD1 4.07Å; V117-Y260 HydrophobicContact CG1-CD1 4.35Å; V117-Y260 HydrophobicContact CG1-CE1 4.34Å
118T98.8Very high98.4Very high0 Ų046.2 Ų46.20%025%0.245CC..Hα-helixtrans-59.6-42.4-179.4-52.60000111.5H108 Y114 K115 S120 V123 I137 Y260 F262 L289H108-T118 HydrophobicContact CB-CG2 4.09Å; Y114-T118 WeakPolarHBondContact O-CB 3.21Å; Y114-T118 PolarHBondContact O-N 3.23Å; Y114-T118 PolarHBondContact O-OG1 3.1Å; K115-T118 PolarHBondContact O-N 2.87Å; T118-S120 VanDerWaalsContact C-N 3.34Å; T118-V123 WeakPolarHBondContact O-CB 3.38Å; T118-V123 VanDerWaalsContact O-CG1 3.26Å; T118-V123 WeakPolarHBondContact O-CG1 3.08Å; T118-I137 HydrophobicContact CG2-CD1 3.49Å; T118-I137 VanDerWaalsContact CG2-CD1 3.49Å; T118-I137 HydrophobicContact CG2-CG1 3.97Å; T118-I137 HydrophobicContact CG2-CG2 4.39Å; T118-Y260 PolarHBondContact OG1-OH 3.08Å; T118-F262 HydrophobicContact CG2-CD1 4.3Å; T118-F262 HydrophobicContact CG2-CD2 3.77Å; T118-F262 HydrophobicContact CG2-CE1 4.27Å; T118-F262 HydrophobicContact CG2-CE2 3.73Å; T118-F262 HydrophobicContact CG2-CG 4.05Å; T118-F262 HydrophobicContact CG2-CZ 3.99Å; T118-L289 WeakPolarHBondContact O-CD1 3.24Å
119H98.7Very high98.4Very high27 Ų2749.1 Ų49.113%0.12526%0.257CS..THydrogen-bonded Turntrans-9214.1178.3-64.6-82.6000113.6K115 V117 Q124 I137 P288 L289 T291K115-H119 PolarHBondContact O-CD2 3.47Å; K115-H119 VanDerWaalsContact O-CD2 3.24Å; K115-H119 PolarHBondContact O-N 3.08Å; V117-H119 VanDerWaalsContact C-N 3.31Å; V117-H119 PolarHBondContact O-N 2.79Å; H119-Q124 PolarHBondContact O-NE2 3.35Å; H119-I137 WeakPolarHBondContact CE1-CD1 3.3Å; H119-I137 WeakPolarHBondContact NE2-CD1 3.1Å; H119-P288 PolarHBondContact CE1-O 2.85Å; H119-L289 PolarHBondContact ND1-O 3.01Å; H119-T291 HydrophobicContact CB-CG2 3.93Å
120S98.4Very high98.3Very high23 Ų2349.8 Ų49.816%0.16126%0.258CS..  trans-63.8152.6-17667.80000112.3K116 V117 T118 K122 V123 Q124K116-S120 PolarHBondContact O-N 2.79Å; K116-S120 VanDerWaalsContact O-N 3.15Å; V117-S120 WeakPolarHBondContact O-CB 3.37Å; V117-S120 PolarHBondContact O-N 2.85Å; V117-S120 VanDerWaalsContact O-N 3.08Å; V117-S120 PolarHBondContact O-OG 3.42Å; T118-S120 VanDerWaalsContact C-N 3.34Å; S120-K122 PolarHBondContact O-N 2.84Å; S120-K122 VanDerWaalsContact O-N 3.14Å; S120-V123 PolarHBondContact O-N 3.03Å; S120-V123 VanDerWaalsContact O-N 3.08Å; S120-V123 WeakPolarHBondContact OG-CG2 3.24Å; S120-V123 PolarHBondContact OG-N 2.67Å; S120-Q124 PolarHBondContact O-N 3.04Å
121P97.8Very high98.3Very high115 Ų11546.9 Ų46.975%0.74726%0.263SS*.Hα-helixtrans-55.2-32.3176.4-28.435.8000114G125P121-G125 PolarHBondContact O-N 2.76Å
122K98.1Very high98.3Very high79 Ų7946.9 Ų46.934%0.34326%0.264SS..Hα-helixtrans-66.2-46.3175.9-68.4-176.7-175.8175.10111.7F3 G22 L23 S120 G125 I126F3-K122 HydrophobicContact CB-CG 4.45Å; F3-K122 HydrophobicContact CD2-CD 4.03Å; F3-K122 HydrophobicContact CE2-CD 4.37Å; F3-K122 HydrophobicContact CG-CB 4.4Å; F3-K122 HydrophobicContact CG-CD 4.36Å; F3-K122 HydrophobicContact CG-CG 4.4Å; G22-K122 PolarHBondContact O-NZ 3.43Å; L23-K122 HydrophobicContact CD1-CB 3.75Å; L23-K122 HydrophobicContact CD1-CD 4.18Å; L23-K122 VanDerWaalsContact O-CD 3.27Å; L23-K122 WeakPolarHBondContact O-CD 3.38Å; L23-K122 PolarHBondContact O-NZ 3.03Å; S120-K122 PolarHBondContact O-N 2.84Å; S120-K122 VanDerWaalsContact O-N 3.14Å; K122-G125 PolarHBondContact O-N 3.38Å; K122-I126 WeakPolarHBondContact O-CG1 3.41Å; K122-I126 PolarHBondContact O-N 3.35Å
123V98.7Very high98.3Very high1 Ų147.9 Ų47.91%0.00626%0.262CS..Hα-helixtrans-64.8-44.9177.4175.30000111.1L23 T118 S120 G125 I126 A127 L173 F262 L289L23-V123 HydrophobicContact CD1-CG2 4.36Å; L23-V123 HydrophobicContact CD2-CG2 4.45Å; T118-V123 WeakPolarHBondContact O-CB 3.38Å; T118-V123 VanDerWaalsContact O-CG1 3.26Å; T118-V123 WeakPolarHBondContact O-CG1 3.08Å; S120-V123 PolarHBondContact O-N 3.03Å; S120-V123 VanDerWaalsContact O-N 3.08Å; S120-V123 WeakPolarHBondContact OG-CG2 3.24Å; S120-V123 PolarHBondContact OG-N 2.67Å; V123-G125 PolarHBondContact O-N 2.63Å; V123-I126 WeakPolarHBondContact O-CB 3.28Å; V123-I126 PolarHBondContact O-N 3.37Å; V123-A127 PolarHBondContact O-N 2.97Å; V123-A127 VanDerWaalsContact O-N 3.08Å; V123-L173 HydrophobicContact CG1-CD2 4.02Å; V123-L173 HydrophobicContact CG2-CD2 4.32Å; V123-F262 HydrophobicContact CG1-CE2 4.01Å; V123-F262 HydrophobicContact CG1-CZ 3.78Å; V123-F262 HydrophobicContact CG2-CZ 4.09Å; V123-L289 HydrophobicContact CG1-CD1 3.89Å; V123-L289 HydrophobicContact CG1-CD2 4.35Å
124Q98.7Very high98.3Very high14 Ų1449 Ų497%0.06527%0.268CS..Hα-helixtrans-61.8-36.2174.9-64.5-169.847.800111.6H119 S120 A127 K128 L289 Y290 T291H119-Q124 PolarHBondContact O-NE2 3.35Å; S120-Q124 PolarHBondContact O-N 3.04Å; Q124-A127 PolarHBondContact O-N 3.18Å; Q124-K128 WeakPolarHBondContact O-CB 3.32Å; Q124-K128 VanDerWaalsContact O-CG 3.29Å; Q124-K128 WeakPolarHBondContact O-CG 3.24Å; Q124-K128 PolarHBondContact O-N 2.78Å; Q124-L289 HydrophobicContact CG-CG 4.38Å; Q124-Y290 HydrophobicContact CB-CD1 4.1Å; Q124-Y290 HydrophobicContact CB-CE1 4.28Å; Q124-Y290 HydrophobicContact CG-CD1 4.13Å; Q124-T291 PolarHBondContact NE2-OG1 3.29Å
125G98.1Very high98.3Very high33 Ų3349 Ų4934%0.3427%0.269SS..Hα-helixtrans-62.2-43.5173.900000112.8P121 K122 V123 K128 K129P121-G125 PolarHBondContact O-N 2.76Å; K122-G125 PolarHBondContact O-N 3.38Å; V123-G125 PolarHBondContact O-N 2.63Å; G125-K128 PolarHBondContact O-N 3.09Å; G125-K129 VanDerWaalsContact O-CB 3.29Å; G125-K129 WeakPolarHBondContact O-CB 3.39Å; G125-K129 PolarHBondContact O-N 3.15Å
126I98.6Very high98.4Very high3 Ų345 Ų452%0.01525%0.252CS..Hα-helixtrans-58.3-51.6174.2-69162.4000110.5F3 M4 L20 L23 K122 V123 K128 K129 L130 L173 L239F3-I126 HydrophobicContact CD1-CD1 3.75Å; F3-I126 HydrophobicContact CD1-CG1 3.87Å; F3-I126 HydrophobicContact CE1-CD1 3.81Å; F3-I126 HydrophobicContact CE1-CG1 4.37Å; M4-I126 HydrophobicContact CB-CG1 4.37Å; M4-I126 HydrophobicContact SD-CG2 4.03Å; L20-I126 HydrophobicContact CD1-CD1 4.3Å; L20-I126 HydrophobicContact CD1-CG1 4.43Å; L23-I126 HydrophobicContact CD1-CD1 4.03Å; K122-I126 WeakPolarHBondContact O-CG1 3.41Å; K122-I126 PolarHBondContact O-N 3.35Å; V123-I126 WeakPolarHBondContact O-CB 3.28Å; V123-I126 PolarHBondContact O-N 3.37Å; I126-K128 VanDerWaalsContact C-N 3.33Å; I126-K128 PolarHBondContact O-N 2.77Å; I126-K129 PolarHBondContact O-N 2.96Å; I126-K129 VanDerWaalsContact O-N 3.16Å; I126-L130 HydrophobicContact CG2-CD1 3.97Å; I126-L130 PolarHBondContact O-N 3.19Å; I126-L173 HydrophobicContact CD1-CD2 4.46Å; I126-L239 HydrophobicContact CD1-CD2 4.4Å; I126-L239 HydrophobicContact CG2-CD1 3.63Å; I126-L239 HydrophobicContact CG2-CD2 4.06Å
127A98.4Very high98.4Very high1 Ų138.3 Ų38.31%0.00822%0.223CC..Hα-helixtrans-59.3-43.1-18000000112V123 Q124 L130 G131 L132 P135 L289 Y290V123-A127 PolarHBondContact O-N 2.97Å; V123-A127 VanDerWaalsContact O-N 3.08Å; Q124-A127 PolarHBondContact O-N 3.18Å; A127-L130 PolarHBondContact O-N 2.83Å; A127-G131 PolarHBondContact O-N 3.47Å; A127-L132 HydrophobicContact CB-CB 4.33Å; A127-L132 HydrophobicContact CB-CD2 4.35Å; A127-L132 PolarHBondContact O-N 3.31Å; A127-P135 HydrophobicContact CB-CG 4.42Å; A127-L289 HydrophobicContact CB-CD2 3.54Å; A127-Y290 VanDerWaalsContact C-OH 3.29Å; A127-Y290 HydrophobicContact CB-CE1 3.93Å
128K98.1Very high98.4Very high130 Ų13037.9 Ų37.957%0.56522%0.22SC*.Hα-helixtrans-63.5-42.6175.5-72.7171.9-175.8172.60112.1Q124 G125 I126 L130 G131 Y290Q124-K128 WeakPolarHBondContact O-CB 3.32Å; Q124-K128 VanDerWaalsContact O-CG 3.29Å; Q124-K128 WeakPolarHBondContact O-CG 3.24Å; Q124-K128 PolarHBondContact O-N 2.78Å; G125-K128 PolarHBondContact O-N 3.09Å; I126-K128 VanDerWaalsContact C-N 3.33Å; I126-K128 PolarHBondContact O-N 2.77Å; K128-L130 VanDerWaalsContact C-N 3.28Å; K128-L130 PolarHBondContact O-N 3.47Å; K128-G131 WeakPolarHBondContact O-CA 3.48Å; K128-G131 PolarHBondContact O-N 3.03Å; K128-Y290 WeakPolarHBondContact CA-OH 3.31Å; K128-Y290 HydrophobicContact CD-CE1 4.35Å; K128-Y290 HydrophobicContact CG-CE1 3.71Å; K128-Y290 WeakPolarHBondContact CG-OH 3.37Å; K128-Y290 PolarHBondContact N-OH 2.85Å; K128-Y290 VanDerWaalsContact N-OH 3.16Å
129K97.8Very high98.4Very high64 Ų6438.4 Ų38.428%0.27822%0.223SC..Hα-helixtrans-65.3-33.5179.9-166.570.2175.2179.20112.1D2 M4 D6 V9 G125 I126 G131D2-K129 IonicContact OD2-NZ 2.78Å; M4-K129 HydrophobicContact CB-CG 4.36Å; M4-K129 HydrophobicContact CG-CG 4.39Å; M4-K129 WeakPolarHBondContact O-CE 3.22Å; M4-K129 HydrophobicContact SD-CG 4.47Å; D6-K129 WeakPolarHBondContact OD1-CE 3.49Å; D6-K129 IonicContact OD1-NZ 3.9Å; D6-K129 PolarHBondContact OD1-NZ 2.66Å; V9-K129 HydrophobicContact CG2-CG 3.76Å; G125-K129 VanDerWaalsContact O-CB 3.29Å; G125-K129 WeakPolarHBondContact O-CB 3.39Å; G125-K129 PolarHBondContact O-N 3.15Å; I126-K129 PolarHBondContact O-N 2.96Å; I126-K129 VanDerWaalsContact O-N 3.16Å; K129-G131 PolarHBondContact O-N 3.33Å
130L97.9Very high98.4Very high30 Ų3037.1 Ų37.116%0.15722%0.217CC..THydrogen-bonded Turntrans-78.7-5.5172.5-71.7174.3000113.6M4 V9 Y12 I126 A127 K128 L132 M171 L239M4-L130 HydrophobicContact CE-CD2 3.91Å; M4-L130 HydrophobicContact CE-CG 4.29Å; M4-L130 HydrophobicContact SD-CD2 4.44Å; M4-L130 HydrophobicContact SD-CG 4.21Å; V9-L130 HydrophobicContact CG1-CD2 4.33Å; V9-L130 HydrophobicContact CG2-CD2 4.32Å; Y12-L130 HydrophobicContact CD1-CD1 4.45Å; Y12-L130 HydrophobicContact CD1-CD2 3.66Å; Y12-L130 HydrophobicContact CE1-CD1 4.27Å; Y12-L130 HydrophobicContact CE1-CD2 4.11Å; Y12-L130 HydrophobicContact CG-CD2 4.44Å; I126-L130 HydrophobicContact CG2-CD1 3.97Å; I126-L130 PolarHBondContact O-N 3.19Å; A127-L130 PolarHBondContact O-N 2.83Å; K128-L130 VanDerWaalsContact C-N 3.28Å; K128-L130 PolarHBondContact O-N 3.47Å; L130-L132 HydrophobicContact CB-CD1 3.58Å; L130-M171 HydrophobicContact CD1-CE 3.64Å; L130-M171 HydrophobicContact CD1-SD 3.81Å; L130-L239 HydrophobicContact CD1-CD1 4.25Å
131G97.6Very high98.4Very high54 Ų5436.9 Ų36.956%0.55721%0.214SC*.THydrogen-bonded Turntrans83.719.6175.200000114.7A127 K128 K129 V133A127-G131 PolarHBondContact O-N 3.47Å; K128-G131 WeakPolarHBondContact O-CA 3.48Å; K128-G131 PolarHBondContact O-N 3.03Å; K129-G131 PolarHBondContact O-N 3.33Å; G131-V133 PolarHBondContact O-N 2.68Å
132L98.4Very high98.4Very high28 Ų2831.4 Ų31.415%0.14718%0.178CC..  trans-70.7129176.1-75.667.7000109.6A127 L130 P135 M171 I264 E266 Y290A127-L132 HydrophobicContact CB-CB 4.33Å; A127-L132 HydrophobicContact CB-CD2 4.35Å; A127-L132 PolarHBondContact O-N 3.31Å; L130-L132 HydrophobicContact CB-CD1 3.58Å; L132-P135 HydrophobicContact CB-CB 4.13Å; L132-P135 HydrophobicContact CB-CG 4.13Å; L132-P135 HydrophobicContact CD2-CB 3.85Å; L132-M171 HydrophobicContact CD2-SD 4.24Å; L132-I264 HydrophobicContact CD2-CG2 3.77Å; L132-E266 WeakPolarHBondContact CA-OE2 3.26Å; L132-E266 WeakPolarHBondContact CB-OE2 3.4Å; L132-Y290 WeakPolarHBondContact O-CE2 3.42Å; L132-Y290 PolarHBondContact O-OH 3.09Å
133V98.4Very high98.4Very high98 Ų9829 Ų2959%0.59417%0.169SC*.SBendtrans-94.9-49.5-176.2-177.60000110.7G131 E266 L268G131-V133 PolarHBondContact O-N 2.68Å; V133-E266 PolarHBondContact N-OE2 3.32Å; V133-L268 HydrophobicContact CB-CD2 3.95Å; V133-L268 HydrophobicContact CG1-CD2 3.89Å; V133-L268 HydrophobicContact CG2-CD2 4.26Å
134N98.5Very high98.3Very high78 Ų7829.3 Ų29.342%0.41717%0.17SC..SBendtrans-128.262.4179.6-16925.2000111.7V136 E266 A267 L268N134-V136 PolarHBondContact O-N 3.44Å; N134-E266 WeakPolarHBondContact CA-OE1 3.19Å; N134-E266 WeakPolarHBondContact CB-OE1 3.27Å; N134-E266 PolarHBondContact N-OE1 2.84Å; N134-E266 PolarHBondContact N-OE2 3.49Å; N134-A267 HydrophobicContact CB-CB 4.47Å; N134-A267 VanDerWaalsContact O-CB 3.26Å; N134-A267 WeakPolarHBondContact O-CB 3.37Å; N134-A267 PolarHBondContact O-N 2.71Å; N134-L268 HydrophobicContact CB-CB 4.21Å
135P98.8Very high97.9Very high1 Ų128.8 Ų28.81%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-67.8130.8178.725.7-31.6000112.1A127 L132 I264 M265 L289 Y290A127-P135 HydrophobicContact CB-CG 4.42Å; L132-P135 HydrophobicContact CB-CB 4.13Å; L132-P135 HydrophobicContact CB-CG 4.13Å; L132-P135 HydrophobicContact CD2-CB 3.85Å; P135-I264 HydrophobicContact CB-CG2 3.52Å; P135-M265 CarbonylContact C-O 3.54Å; P135-M265 VanDerWaalsContact CA-O 3.3Å; P135-M265 WeakPolarHBondContact CA-O 2.93Å; P135-L289 HydrophobicContact CB-CB 3.95Å; P135-L289 HydrophobicContact CB-CD2 3.97Å; P135-L289 HydrophobicContact CG-CB 3.99Å; P135-L289 HydrophobicContact CG-CD2 4.02Å; P135-L289 WeakPolarHBondContact O-CB 3.4Å; P135-L289 PolarHBondContact O-N 2.74Å; P135-Y290 HydrophobicContact CG-CD1 4.12Å; P135-Y290 HydrophobicContact CG-CD2 3.7Å; P135-Y290 HydrophobicContact CG-CE1 3.78Å; P135-Y290 HydrophobicContact CG-CE2 3.35Å; P135-Y290 HydrophobicContact CG-CG 4.07Å
136V98.9Very high97.7Very high13 Ų1327.6 Ų27.68%0.07915%0.153CC..EExtended strand (participates in β ladder)trans-120.2151.8171-59.40000110.8N134 I264 M265 A267 F286 P287N134-V136 PolarHBondContact O-N 3.44Å; V136-I264 CarbonylContact O-C 3.29Å; V136-I264 VanDerWaalsContact O-CA 3.29Å; V136-I264 WeakPolarHBondContact O-CA 3.43Å; V136-M265 HydrophobicContact CG2-CB 4.03Å; V136-M265 HydrophobicContact CG2-CE 3.53Å; V136-M265 PolarHBondContact N-O 2.83Å; V136-M265 PolarHBondContact O-N 3.32Å; V136-A267 HydrophobicContact CG1-CB 3.94Å; V136-A267 HydrophobicContact CG2-CB 4.1Å; V136-F286 HydrophobicContact CB-CB 3.9Å; V136-F286 HydrophobicContact CG2-CB 3.79Å; V136-P287 CarbonylContact C-O 3.48Å; V136-P287 VanDerWaalsContact CA-O 3.27Å; V136-P287 WeakPolarHBondContact CA-O 3.12Å
137I98.9Very high97.3Very high0 Ų029.7 Ų29.70%017%0.167CC..EExtended strand (participates in β ladder)trans-91.1122.7179.4-56.8150.7000108.5H108 T118 H119 F286 P287 L289H108-I137 HydrophobicContact CB-CG2 4.22Å; H108-I137 VanDerWaalsContact CD2-CG2 3.42Å; H108-I137 WeakPolarHBondContact CD2-CG2 3.15Å; T118-I137 HydrophobicContact CG2-CD1 3.49Å; T118-I137 VanDerWaalsContact CG2-CD1 3.49Å; T118-I137 HydrophobicContact CG2-CG1 3.97Å; T118-I137 HydrophobicContact CG2-CG2 4.39Å; H119-I137 WeakPolarHBondContact CE1-CD1 3.3Å; H119-I137 WeakPolarHBondContact NE2-CD1 3.1Å; I137-F286 WeakPolarHBondContact O-CB 3.22Å; I137-P287 HydrophobicContact CB-CG 4.23Å; I137-P287 HydrophobicContact CD1-CG 4.34Å; I137-P287 PolarHBondContact N-O 3.4Å; I137-P287 WeakPolarHBondContact O-CD 3.13Å; I137-L289 HydrophobicContact CD1-CD1 4.25Å; I137-L289 HydrophobicContact CG1-CB 4.39Å; I137-L289 HydrophobicContact CG1-CD1 4.28Å
138L98.8Very high96.8Very high3 Ų331.7 Ų31.72%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-83.4-54.7-178-64.6177.4000111.5L162 V170 H263 M265 W272 L278 F286L138-L162 HydrophobicContact CD1-CB 4.34Å; L138-L162 HydrophobicContact CD1-CD1 4.14Å; L138-V170 HydrophobicContact CD1-CG1 4.04Å; L138-V170 HydrophobicContact CD1-CG2 3.98Å; L138-H263 HydrophobicContact CB-CB 4.25Å; L138-H263 HydrophobicContact CD1-CB 4.29Å; L138-H263 PolarHBondContact N-O 3.43Å; L138-M265 HydrophobicContact CD1-CB 3.89Å; L138-M265 HydrophobicContact CD2-CB 3.66Å; L138-M265 HydrophobicContact CD2-CE 4.18Å; L138-M265 HydrophobicContact CD2-CG 4.48Å; L138-M265 HydrophobicContact CD2-SD 4.12Å; L138-M265 HydrophobicContact CG-CB 3.75Å; L138-W272 HydrophobicContact CD1-CE3 4.43Å; L138-W272 HydrophobicContact CD1-CH2 3.8Å; L138-W272 HydrophobicContact CD1-CZ3 3.5Å; L138-W272 VanDerWaalsContact CD1-CZ3 3.5Å; L138-W272 HydrophobicContact CD2-CD2 4.49Å; L138-W272 HydrophobicContact CD2-CE3 3.94Å; L138-W272 HydrophobicContact CD2-CH2 4.04Å; L138-W272 HydrophobicContact CD2-CZ3 3.71Å; L138-W272 HydrophobicContact CG-CH2 4.43Å; L138-W272 HydrophobicContact CG-CZ3 4.22Å; L138-L278 HydrophobicContact CB-CD2 4.47Å; L138-L278 WeakPolarHBondContact O-CD2 3.39Å; L138-F286 HydrophobicContact CB-CE1 4.44Å; L138-F286 HydrophobicContact CD2-CD1 4.13Å; L138-F286 HydrophobicContact CD2-CD2 3.69Å; L138-F286 HydrophobicContact CD2-CE1 4.03Å; L138-F286 HydrophobicContact CD2-CE2 3.56Å; L138-F286 HydrophobicContact CD2-CG 3.98Å; L138-F286 HydrophobicContact CD2-CZ 3.74Å; L138-F286 WeakPolarHBondContact O-CE1 3.24Å
139Q98.8Very high95.9Very high11 Ų1128.7 Ų28.75%0.05118%0.177CC..EExtended strand (participates in β ladder)trans-154.1164.4-17560.2168.9-5.700110.5H105 F262 H263 L278H105-Q139 HydrophobicContact CB-CB 4.23Å; H105-Q139 PolarHBondContact CD2-OE1 3Å; H105-Q139 CarbonylContact O-C 3.33Å; Q139-F262 CarbonylContact O-C 3.55Å; Q139-F262 WeakPolarHBondContact O-CA 3.16Å; Q139-F262 VanDerWaalsContact O-CB 3.24Å; Q139-F262 WeakPolarHBondContact O-CB 3.28Å; Q139-H263 HydrophobicContact CG-CB 4.07Å; Q139-H263 PolarHBondContact NE2-CE1 2.67Å; Q139-H263 PolarHBondContact NE2-ND1 2.81Å; Q139-H263 PolarHBondContact O-N 3.03Å; Q139-L278 HydrophobicContact CB-CD2 3.86Å; Q139-L278 HydrophobicContact CG-CD2 4.37Å
140S98.9Very high95Very high0 Ų025.6 Ų25.60%016%0.163CC..EExtended strand (participates in β ladder)trans-146.1139.4172.861.40000110.9H105 L107 H108 T261H105-S140 CarbonylContact C-O 3.34Å; H105-S140 WeakPolarHBondContact CA-O 3.35Å; H105-S140 PolarHBondContact O-N 2.68Å; H105-S140 VanDerWaalsContact O-O 3.09Å; H105-S140 PolarHBondContact O-OG 3.01Å; L107-S140 PolarHBondContact N-OG 2.67Å; H108-S140 PolarHBondContact N-OG 3.48Å; H108-S140 WeakPolarHBondContact ND1-CB 3.49Å; H108-S140 PolarHBondContact ND1-OG 3.43Å; S140-T261 CarbonylContact C-O 3.5Å; S140-T261 VanDerWaalsContact CA-O 3.22Å; S140-T261 WeakPolarHBondContact CA-O 3.46Å
141M98.6Very high94.1Very high19 Ų1925.1 Ų25.19%0.09417%0.165CC..EExtended strand (participates in β ladder)trans-133154.2179-61.1174.7-76.800111K102 V103 Y260 T261K102-M141 HydrophobicContact CD-SD 4Å; V103-M141 CarbonylContact O-C 3.53Å; V103-M141 WeakPolarHBondContact O-CA 3.5Å; M141-Y260 WeakPolarHBondContact O-CD2 3.38Å; M141-T261 HydrophobicContact CB-CG2 3.84Å; M141-T261 HydrophobicContact CE-CG2 3.99Å; M141-T261 PolarHBondContact N-O 3.09Å; M141-T261 PolarHBondContact O-N 3.2Å
142Y98.7Very high93.7Very high0 Ų029 Ų290%017%0.169CC..EExtended strand (participates in β ladder)trans-108.2128.4162.5-165.1-81.8000108.6K33 M36 K102 V103 Y114 F144 L177 H258 V259K33-Y142 WeakPolarHBondContact CG-OH 3.47Å; M36-Y142 HydrophobicContact CB-CD2 4.31Å; M36-Y142 HydrophobicContact CB-CE1 4.32Å; M36-Y142 HydrophobicContact CB-CE2 3.84Å; M36-Y142 HydrophobicContact CE-CD1 4.31Å; M36-Y142 HydrophobicContact CE-CD2 3.62Å; M36-Y142 HydrophobicContact CE-CE2 4.29Å; M36-Y142 HydrophobicContact CE-CG 3.58Å; M36-Y142 HydrophobicContact CG-CD1 3.89Å; M36-Y142 HydrophobicContact CG-CD2 4.18Å; M36-Y142 HydrophobicContact CG-CE1 3.8Å; M36-Y142 HydrophobicContact CG-CE2 4.04Å; M36-Y142 HydrophobicContact CG-CG 4.06Å; M36-Y142 HydrophobicContact SD-CD1 4.47Å; M36-Y142 HydrophobicContact SD-CG 4.31Å; K102-Y142 CarbonylContact C-O 3.54Å; K102-Y142 WeakPolarHBondContact CA-O 3.32Å; K102-Y142 WeakPolarHBondContact CB-O 3.19Å; V103-Y142 PolarHBondContact N-O 3.01Å; V103-Y142 PolarHBondContact O-N 2.87Å; Y114-Y142 AromaticContact CE1-CD2 3.82Å; Y114-Y142 HydrophobicContact CE1-CD2 3.82Å; Y114-Y142 HydrophobicContact CE1-CE2 4.22Å; Y114-Y142 AromaticContact CZ-CD2 3.97Å; Y114-Y142 WeakPolarHBondContact OH-CD2 3.39Å; Y114-Y142 WeakPolarHBondContact OH-CE2 3.15Å; Y142-F144 HydrophobicContact CD1-CD1 4.24Å; Y142-F144 HydrophobicContact CD1-CD2 4.02Å; Y142-F144 HydrophobicContact CD1-CE1 4.06Å; Y142-F144 AromaticContact CD1-CE2 3.84Å; Y142-F144 HydrophobicContact CD1-CE2 3.84Å; Y142-F144 HydrophobicContact CD1-CG 4.21Å; Y142-F144 AromaticContact CD1-CZ 3.85Å; Y142-F144 HydrophobicContact CD1-CZ 3.85Å; Y142-F144 AromaticContact CE1-CD1 3.91Å; Y142-F144 HydrophobicContact CE1-CD1 3.91Å; Y142-F144 HydrophobicContact CE1-CD2 4.47Å; Y142-F144 AromaticContact CE1-CE1 3.85Å; Y142-F144 HydrophobicContact CE1-CE1 3.85Å; Y142-F144 HydrophobicContact CE1-CE2 4.43Å; Y142-F144 HydrophobicContact CE1-CG 4.21Å; Y142-F144 HydrophobicContact CE1-CZ 4.12Å; Y142-L177 HydrophobicContact CD2-CD1 4.06Å; Y142-L177 HydrophobicContact CE2-CD1 3.19Å; Y142-H258 HydrophobicContact CE1-CB 4Å; Y142-H258 AromaticContact CE1-CG 3.81Å; Y142-H258 AromaticContact CE1-ND1 3.44Å; Y142-H258 WeakPolarHBondContact CE1-ND1 3.46Å; Y142-H258 AromaticContact CZ-CG 3.99Å; Y142-H258 AromaticContact CZ-ND1 3.51Å; Y142-H258 WeakPolarHBondContact OH-CB 3.25Å; Y142-H258 PolarHBondContact OH-ND1 3.34Å; Y142-V259 CarbonylContact C-O 3.58Å; Y142-V259 VanDerWaalsContact CA-O 3.32Å; Y142-V259 WeakPolarHBondContact CA-O 3.4Å
143I96.7Very high93.3Very high28 Ų2830.5 Ų30.514%0.14418%0.179CC..EExtended strand (participates in β ladder)trans-116.3122.5-179.7-55.7173.3000107.9K102 K145 H258 V259 T261K102-I143 HydrophobicContact CB-CG1 4.44Å; I143-K145 HydrophobicContact CG2-CG 4.34Å; I143-H258 CarbonylContact O-C 3.14Å; I143-H258 WeakPolarHBondContact O-CA 3.42Å; I143-V259 HydrophobicContact CB-CB 4.33Å; I143-V259 PolarHBondContact N-O 3.38Å; I143-V259 PolarHBondContact O-N 3.25Å; I143-T261 HydrophobicContact CD1-CG2 4.02Å; I143-T261 HydrophobicContact CG1-CG2 4.43Å
144F96Very high93.1Very high7 Ų729.6 Ų29.63%0.03117%0.174CC..  trans-84.5-46.6-174.1-66.3-98.4000112.5M36 V40 L100 N101 V103 Y142 Q146 R257 H258M36-F144 HydrophobicContact CG-CE1 3.78Å; M36-F144 HydrophobicContact CG-CZ 3.6Å; M36-F144 HydrophobicContact SD-CZ 3.89Å; V40-F144 HydrophobicContact CG2-CE1 4.32Å; V40-F144 HydrophobicContact CG2-CZ 3.89Å; L100-F144 HydrophobicContact CB-CD2 3.68Å; L100-F144 HydrophobicContact CB-CE2 3.55Å; L100-F144 HydrophobicContact CB-CG 4.25Å; L100-F144 HydrophobicContact CB-CZ 4.03Å; L100-F144 HydrophobicContact CD1-CE1 4.42Å; L100-F144 HydrophobicContact CD1-CE2 3.97Å; L100-F144 HydrophobicContact CD1-CZ 3.74Å; L100-F144 HydrophobicContact CG-CE2 4.35Å; L100-F144 WeakPolarHBondContact O-CB 3.33Å; N101-F144 PolarHBondContact O-N 3.08Å; N101-F144 VanDerWaalsContact O-N 3.09Å; V103-F144 HydrophobicContact CG2-CE2 3.82Å; V103-F144 HydrophobicContact CG2-CZ 4.05Å; Y142-F144 HydrophobicContact CD1-CD1 4.24Å; Y142-F144 HydrophobicContact CD1-CD2 4.02Å; Y142-F144 HydrophobicContact CD1-CE1 4.06Å; Y142-F144 AromaticContact CD1-CE2 3.84Å; Y142-F144 HydrophobicContact CD1-CE2 3.84Å; Y142-F144 HydrophobicContact CD1-CG 4.21Å; Y142-F144 AromaticContact CD1-CZ 3.85Å; Y142-F144 HydrophobicContact CD1-CZ 3.85Å; Y142-F144 AromaticContact CE1-CD1 3.91Å; Y142-F144 HydrophobicContact CE1-CD1 3.91Å; Y142-F144 HydrophobicContact CE1-CD2 4.47Å; Y142-F144 AromaticContact CE1-CE1 3.85Å; Y142-F144 HydrophobicContact CE1-CE1 3.85Å; Y142-F144 HydrophobicContact CE1-CE2 4.43Å; Y142-F144 HydrophobicContact CE1-CG 4.21Å; Y142-F144 HydrophobicContact CE1-CZ 4.12Å; F144-Q146 HydrophobicContact CB-CG 4.1Å; F144-R257 CarbonylContact C-O 3.56Å; F144-R257 CarbonylContact O-C 3.48Å; F144-R257 PolarHBondContact O-N 2.84Å; F144-H258 AromaticContact CD1-CE1 3.49Å; F144-H258 VanDerWaalsContact CD1-CE1 3.49Å; F144-H258 WeakPolarHBondContact CD1-CE1 3.4Å; F144-H258 AromaticContact CD1-NE2 3.66Å; F144-H258 PolarHBondContact O-CD2 3Å; F144-H258 PolarHBondContact O-N 3.35Å
145K92Very high93Very high3 Ų327.4 Ų27.41%0.01316%0.164CC..  trans47.271.4-171-98.5-108-178.6-151.30111.7I143 G150 G151 A249 N251 S256 R257I143-K145 HydrophobicContact CG2-CG 4.34Å; K145-G150 PolarHBondContact NZ-O 3.39Å; K145-G151 WeakPolarHBondContact CE-O 3.22Å; K145-G151 VanDerWaalsContact NZ-C 3.34Å; K145-G151 PolarHBondContact NZ-O 2.9Å; K145-A249 WeakPolarHBondContact CE-O 3.36Å; K145-A249 PolarHBondContact NZ-O 2.75Å; K145-N251 HydrophobicContact CD-CB 3.8Å; K145-N251 PolarHBondContact O-ND2 2.97Å; K145-S256 WeakPolarHBondContact O-CA 3.36Å; K145-R257 HydrophobicContact CB-CB 3.94Å; K145-R257 VanDerWaalsContact CG-CZ 3.48Å; K145-R257 VanDerWaalsContact CG-NH2 3.3Å; K145-R257 PolarHBondContact O-N 3.02Å; K145-R257 VanDerWaalsContact O-N 3.1Å
146Q92.3Very high92.9Very high8 Ų828.3 Ų28.34%0.03717%0.168CC..  trans-60.4150.1-174-57.5-72.82.900111.6Q97 Q98 L100 F144 G148 I149 G150 N251Q97-Q146 PolarHBondContact O-NE2 3.22Å; Q98-Q146 WeakPolarHBondContact O-CG 3.31Å; L100-Q146 WeakPolarHBondContact O-CG 3.3Å; L100-Q146 PolarHBondContact O-NE2 3.46Å; L100-Q146 VanDerWaalsContact O-NE2 3.13Å; F144-Q146 HydrophobicContact CB-CG 4.1Å; Q146-G148 PolarHBondContact O-N 3.17Å; Q146-I149 HydrophobicContact CB-CD1 4.27Å; Q146-I149 HydrophobicContact CB-CG1 3.7Å; Q146-G150 VanDerWaalsContact O-CA 3.32Å; Q146-G150 WeakPolarHBondContact O-CA 3.11Å; Q146-G150 PolarHBondContact O-N 3.28Å; Q146-N251 PolarHBondContact O-ND2 2.86Å
147P91.8Very high92.9Very high48 Ų4827.9 Ų27.931%0.31217%0.165SC..THydrogen-bonded Turntrans-55.6134.9173.8-2434.1000111.7I149 S253 E254P147-I149 PolarHBondContact O-N 3.38Å; P147-S253 WeakPolarHBondContact CA-O 3.33Å; P147-E254 WeakPolarHBondContact CB-O 3.29Å; P147-E254 WeakPolarHBondContact CG-O 3.25Å
148G86.3Confident92.8Very high42 Ų4228.5 Ų28.543%0.43317%0.169SC..THydrogen-bonded Turntrans66.1-25.8176.300000117.5Q146 N251 S253Q146-G148 PolarHBondContact O-N 3.17Å; G148-N251 CarbonylContact C-O 3.46Å; G148-N251 VanDerWaalsContact CA-O 3.29Å; G148-N251 WeakPolarHBondContact CA-O 3.48Å; G148-N251 PolarHBondContact N-O 3.19Å; G148-S253 PolarHBondContact N-O 3.5Å
149I79.9Confident92.8Very high67 Ų6728.5 Ų28.534%0.34417%0.169SC..THydrogen-bonded Turntrans-121.9-0.8-174.668.1174000113.8V85 V94 Q98 Q146 P147 G151V85-I149 HydrophobicContact CG1-CD1 4.25Å; V94-I149 HydrophobicContact CG2-CD1 4.49Å; Q98-I149 WeakPolarHBondContact O-CD1 3.47Å; Q146-I149 HydrophobicContact CB-CD1 4.27Å; Q146-I149 HydrophobicContact CB-CG1 3.7Å; P147-I149 PolarHBondContact O-N 3.38Å; I149-G151 PolarHBondContact O-N 3.29Å
150G78.4Confident92.8Very high0 Ų028 Ų280%017%0.166CC..BIsolated β-bridgetrans-66105.7-176.600000111.2K145 Q146 E250 N251K145-G150 PolarHBondContact NZ-O 3.39Å; Q146-G150 VanDerWaalsContact O-CA 3.32Å; Q146-G150 WeakPolarHBondContact O-CA 3.11Å; Q146-G150 PolarHBondContact O-N 3.28Å; G150-E250 WeakPolarHBondContact O-CA 3.48Å; G150-E250 WeakPolarHBondContact O-CG 3.32Å; G150-N251 PolarHBondContact O-N 3.2Å
151G79.9Confident92.7Very high19 Ų1930.3 Ų30.320%0.19618%0.177CC..  trans-62.7148-166.800000114.9E82 K145 I149E82-G151 PolarHBondContact OE1-N 3.07Å; E82-G151 PolarHBondContact OE2-N 3.19Å; K145-G151 WeakPolarHBondContact CE-O 3.22Å; K145-G151 VanDerWaalsContact NZ-C 3.34Å; K145-G151 PolarHBondContact NZ-O 2.9Å; I149-G151 PolarHBondContact O-N 3.29Å
152E89.2Confident92.7Very high137 Ų13729.5 Ų29.564%0.6417%0.172SC*.  trans-60.2154.1173.667.1170.5-170.800112.9
153V90Very high92.7Very high59 Ų5931.1 Ų31.136%0.35818%0.179SC..EExtended strand (participates in β ladder)trans-118.9110.6166.5-177.70000107H156 R247 S248V153-H156 WeakPolarHBondContact CG1-CE1 3.45Å; V153-R247 WeakPolarHBondContact O-CA 3.43Å; V153-R247 WeakPolarHBondContact O-CB 3.31Å; V153-S248 PolarHBondContact N-O 2.76Å; V153-S248 PolarHBondContact O-N 3.35Å
154T93Very high92.8Very high78 Ų7829.9 Ų29.948%0.47917%0.173SC..EExtended strand (participates in β ladder)trans-62.1157.1-179.458.30000111.7H156T154-H156 PolarHBondContact O-N 3Å; T154-H156 PolarHBondContact O-ND1 3.13Å
155P96.4Very high93Very high32 Ų3234.4 Ų34.421%0.20819%0.194CC..EExtended strand (participates in β ladder)trans-46.1128.9172-29.534.9000113.2Y222 F227 V245 H246 R247P155-Y222 HydrophobicContact CB-CD2 3.74Å; P155-Y222 HydrophobicContact CB-CE2 4.07Å; P155-Y222 HydrophobicContact CG-CD2 4.46Å; P155-F227 HydrophobicContact CB-CZ 3.99Å; P155-F227 HydrophobicContact CG-CE2 4.29Å; P155-F227 HydrophobicContact CG-CZ 3.82Å; P155-V245 HydrophobicContact CB-CG1 4.35Å; P155-H246 WeakPolarHBondContact CA-O 3.27Å; P155-R247 HydrophobicContact CG-CB 4.27Å
156H96.9Very high93.3Very high21 Ų2137.5 Ų37.510%0.09721%0.214CC..EExtended strand (participates in β ladder)trans-159.9171175.966.1-69000111.5V153 T154 D158 F161 V245 H246V153-H156 WeakPolarHBondContact CG1-CE1 3.45Å; T154-H156 PolarHBondContact O-N 3Å; T154-H156 PolarHBondContact O-ND1 3.13Å; H156-D158 IonicContact NE2-OD1 3.31Å; H156-F161 HydrophobicContact CB-CE2 4.14Å; H156-F161 AromaticContact CD2-CE2 3.68Å; H156-V245 WeakPolarHBondContact O-CA 3.32Å; H156-H246 AromaticContact CD2-CE1 3.97Å; H156-H246 AromaticContact CE1-CD2 3.82Å; H156-H246 AromaticContact CE1-CE1 3.83Å; H156-H246 AromaticContact CE1-NE2 3.39Å; H156-H246 PolarHBondContact CE1-NE2 3.23Å; H156-H246 PolarHBondContact N-O 3Å; H156-H246 VanDerWaalsContact N-O 3.08Å; H156-H246 PolarHBondContact ND1-O 3.18Å; H156-H246 AromaticContact NE2-CE1 3.5Å; H156-H246 PolarHBondContact NE2-CE1 3.21Å; H156-H246 AromaticContact NE2-NE2 3.29Å; H156-H246 PolarHBondContact NE2-NE2 3.47Å; H156-H246 PolarHBondContact O-N 2.58Å; H156-H246 PolarHBondContact O-ND1 3.1Å
157Q98.5Very high93.6Very high3 Ų339.5 Ų39.51%0.01423%0.225CC..  trans-116.5138.2168.8-59.3170.6-83.800108.3A159 T160 G197 I198 G242 E243 V245Q157-A159 VanDerWaalsContact C-N 3.26Å; Q157-A159 PolarHBondContact O-N 2.92Å; Q157-T160 WeakPolarHBondContact O-CB 3.45Å; Q157-T160 PolarHBondContact O-N 3.24Å; Q157-T160 PolarHBondContact O-OG1 2.81Å; Q157-G197 PolarHBondContact NE2-O 2.93Å; Q157-I198 HydrophobicContact CB-CG2 4.23Å; Q157-G242 CarbonylContact C-O 3.19Å; Q157-E243 PolarHBondContact NE2-O 3.19Å; Q157-V245 HydrophobicContact CG-CG2 3.78Å
158D98.6Very high93.9Very high14 Ų1439 Ų398%0.07523%0.229CC..G310 helixtrans-62.6-34.8-179.6-81.9-26.7000112.3H156 T160 F161 L162 G242 H246 H263H156-D158 IonicContact NE2-OD1 3.31Å; D158-T160 PolarHBondContact O-N 3.29Å; D158-T160 VanDerWaalsContact O-N 3.12Å; D158-F161 PolarHBondContact O-N 3.5Å; D158-L162 PolarHBondContact O-N 3.48Å; D158-G242 PolarHBondContact N-O 3.39Å; D158-H246 IonicContact OD1-CE1 3.25Å; D158-H246 IonicContact OD2-CE1 3.44Å; D158-H263 IonicContact OD1-NE2 2.83Å; D158-H263 IonicContact OD2-CD2 3.67Å; D158-H263 IonicContact OD2-CE1 3.2Å; D158-H263 IonicContact OD2-NE2 3.9Å; D158-H263 PolarHBondContact OD2-NE2 3.11Å
159A98.4Very high94.5Very high2 Ų241.2 Ų41.22%0.01722%0.224CC..G310 helixtrans-63.7-13.3176.300000113.4Q157 F161 Y163 L167 I198 G242 E243Q157-A159 VanDerWaalsContact C-N 3.26Å; Q157-A159 PolarHBondContact O-N 2.92Å; A159-F161 PolarHBondContact O-N 3.41Å; A159-Y163 WeakPolarHBondContact O-CA 3.35Å; A159-L167 HydrophobicContact CB-CD2 4.04Å; A159-I198 HydrophobicContact CB-CG2 3.76Å; A159-I198 WeakPolarHBondContact O-CD1 3.3Å; A159-G242 WeakPolarHBondContact CB-O 3.32Å; A159-G242 PolarHBondContact N-O 3.47Å; A159-E243 HydrophobicContact CB-CG 4.23Å
160T97.9Very high95.4Very high0 Ų038.3 Ų38.30%021%0.209CC..G310 helixtrans-62-34.2165.9-68.30000111.7Q157 D158 R200 R201 M202 F215Q157-T160 WeakPolarHBondContact O-CB 3.45Å; Q157-T160 PolarHBondContact O-N 3.24Å; Q157-T160 PolarHBondContact O-OG1 2.81Å; D158-T160 PolarHBondContact O-N 3.29Å; D158-T160 VanDerWaalsContact O-N 3.12Å; T160-R200 WeakPolarHBondContact CA-O 3.49Å; T160-R200 VanDerWaalsContact CB-O 3.28Å; T160-R200 WeakPolarHBondContact CB-O 3.44Å; T160-R200 HydrophobicContact CG2-CB 4.33Å; T160-R200 HydrophobicContact CG2-CG 4.28Å; T160-R200 VanDerWaalsContact CG2-O 3.3Å; T160-R200 WeakPolarHBondContact CG2-O 3.43Å; T160-R200 PolarHBondContact OG1-O 3.3Å; T160-R201 CarbonylContact O-C 3.49Å; T160-R201 WeakPolarHBondContact O-CA 3.4Å; T160-M202 PolarHBondContact O-N 3.12Å; T160-F215 HydrophobicContact CG2-CE1 4.18Å
161F97.9Very high96.3Very high50 Ų5038.6 Ų38.622%0.21921%0.211CC..THydrogen-bonded Turntrans-105.2-26.3-175.4-53.4-84.2000112.9H156 D158 A159 M202 F215H156-F161 HydrophobicContact CB-CE2 4.14Å; H156-F161 AromaticContact CD2-CE2 3.68Å; D158-F161 PolarHBondContact O-N 3.5Å; A159-F161 PolarHBondContact O-N 3.41Å; F161-M202 HydrophobicContact CD1-CB 3.85Å; F161-M202 HydrophobicContact CD1-CE 3.88Å; F161-M202 HydrophobicContact CD1-CG 4.45Å; F161-M202 HydrophobicContact CD1-SD 3.8Å; F161-M202 HydrophobicContact CE1-CB 4.3Å; F161-M202 HydrophobicContact CE1-CE 3.65Å; F161-M202 HydrophobicContact CE1-SD 4.21Å; F161-F215 HydrophobicContact CE1-CE1 4.07Å; F161-F215 HydrophobicContact CE1-CZ 4.15Å
162L98.5Very high97.2Very high1 Ų137.7 Ų37.71%0.00520%0.201CC..SBendtrans-12158-175.8-53.6176.8000110L138 D158 V170 H263 W272 L278L138-L162 HydrophobicContact CD1-CB 4.34Å; L138-L162 HydrophobicContact CD1-CD1 4.14Å; D158-L162 PolarHBondContact O-N 3.48Å; L162-V170 HydrophobicContact CB-CG1 4.22Å; L162-V170 HydrophobicContact CD1-CG1 4.01Å; L162-H263 HydrophobicContact CD1-CB 3.77Å; L162-H263 VanDerWaalsContact CD1-CG 3.49Å; L162-W272 HydrophobicContact CB-CH2 3.7Å; L162-W272 HydrophobicContact CB-CZ3 4.01Å; L162-W272 HydrophobicContact CD2-CH2 3.74Å; L162-W272 HydrophobicContact CD2-CZ2 4.44Å; L162-W272 HydrophobicContact CG-CH2 4.29Å; L162-L278 HydrophobicContact CD2-CD2 4.21Å
163Y98.8Very high97.7Very high35 Ų3531.2 Ų31.214%0.13717%0.171CC..  trans-74139.8-171.3-173.9-102.5000112.6A159 E165 L167 I198 R201 S273 N276A159-Y163 WeakPolarHBondContact O-CA 3.35Å; Y163-E165 HydrophobicContact CE1-CG 3.58Å; Y163-L167 HydrophobicContact CD2-CD2 3.66Å; Y163-L167 HydrophobicContact CE2-CD1 4.41Å; Y163-L167 HydrophobicContact CE2-CD2 3.5Å; Y163-L167 VanDerWaalsContact CE2-CD2 3.5Å; Y163-L167 HydrophobicContact CE2-CG 4Å; Y163-I198 HydrophobicContact CD2-CD1 3.41Å; Y163-I198 VanDerWaalsContact CD2-CD1 3.41Å; Y163-I198 HydrophobicContact CE2-CD1 3.68Å; Y163-I198 HydrophobicContact CE2-CG1 4.4Å; Y163-R201 HydrophobicContact CD2-CG 4.11Å; Y163-R201 HydrophobicContact CG-CG 4.45Å; Y163-R201 VanDerWaalsContact CG-NE 3.28Å; Y163-S273 WeakPolarHBondContact O-CB 3.41Å; Y163-S273 PolarHBondContact O-N 2.97Å; Y163-N276 WeakPolarHBondContact CB-OD1 3.44Å; Y163-N276 PolarHBondContact N-ND2 3.49Å; Y163-N276 PolarHBondContact N-OD1 2.91Å; Y163-N276 VanDerWaalsContact N-OD1 3.1Å; Y163-N276 PolarHBondContact O-ND2 2.93Å
164T98.8Very high98.1Very high2 Ų228.9 Ų28.91%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-132.6157.9174.157.20000111.1P166 L167 V170 M265 T270 L271 W272T164-P166 CarbonylContact C-O 3.57Å; T164-P166 VanDerWaalsContact C-O 3.29Å; T164-P166 WeakPolarHBondContact CB-O 3.28Å; T164-P166 CarbonylContact O-C 3.54Å; T164-P166 VanDerWaalsContact O-C 3.26Å; T164-P166 PolarHBondContact OG1-O 3.32Å; T164-L167 PolarHBondContact O-N 2.88Å; T164-V170 HydrophobicContact CG2-CG2 3.82Å; T164-M265 HydrophobicContact CG2-CG 4.21Å; T164-M265 HydrophobicContact CG2-SD 3.71Å; T164-T270 HydrophobicContact CG2-CG2 3.77Å; T164-L271 CarbonylContact C-O 3.59Å; T164-L271 VanDerWaalsContact CA-O 3.25Å; T164-L271 WeakPolarHBondContact CA-O 3.24Å; T164-W272 HydrophobicContact CG2-CE3 3.77Å; T164-W272 HydrophobicContact CG2-CZ3 4.13Å
165E98.4Very high98.4Very high102 Ų10225.1 Ų25.148%0.47713%0.133SC..EExtended strand (participates in β ladder)trans-116.8120.3165.9-65.5-174.5-177.800110.3Y163 L271Y163-E165 HydrophobicContact CE1-CG 3.58Å; E165-L271 HydrophobicContact CB-CB 4.32Å; E165-L271 PolarHBondContact N-O 2.72Å; E165-L271 PolarHBondContact O-N 3.33Å
166P98.5Very high98.5Very high68 Ų6823.6 Ų23.644%0.44212%0.123SC..SBendcis-69170.5-7.832.8-36.5000112.6T164 R169T164-P166 CarbonylContact C-O 3.57Å; T164-P166 VanDerWaalsContact C-O 3.29Å; T164-P166 WeakPolarHBondContact CB-O 3.28Å; T164-P166 CarbonylContact O-C 3.54Å; T164-P166 VanDerWaalsContact O-C 3.26Å; T164-P166 PolarHBondContact OG1-O 3.32Å; P166-R169 HydrophobicContact CG-CG 4.22Å; P166-R169 VanDerWaalsContact O-CG 3.25Å; P166-R169 WeakPolarHBondContact O-CG 3.38Å
167L98.6Very high98.6Very high49 Ų4922.6 Ų22.626%0.25712%0.118SC..SBendtrans-66.3175.2164.9-74.2179.3000111.4A159 Y163 T164 R169 I198 E243A159-L167 HydrophobicContact CB-CD2 4.04Å; Y163-L167 HydrophobicContact CD2-CD2 3.66Å; Y163-L167 HydrophobicContact CE2-CD1 4.41Å; Y163-L167 HydrophobicContact CE2-CD2 3.5Å; Y163-L167 VanDerWaalsContact CE2-CD2 3.5Å; Y163-L167 HydrophobicContact CE2-CG 4Å; T164-L167 PolarHBondContact O-N 2.88Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3.05Å; L167-I198 HydrophobicContact CD1-CG1 4.38Å; L167-I198 HydrophobicContact CD2-CD1 4.44Å; L167-E243 WeakPolarHBondContact CB-OE1 3.3Å; L167-E243 HydrophobicContact CD1-CG 4.46Å
168G98.3Very high98.6Very high38 Ų3824 Ų2439%0.39213%0.125SC..SBendtrans7416.1-177.700000114.6E243G168-E243 WeakPolarHBondContact CA-OE1 3.28Å; G168-E243 PolarHBondContact N-OE1 3.13Å; G168-E243 PolarHBondContact N-OE2 3.38Å
169R98.6Very high98.6Very high88 Ų8826.2 Ų26.233%0.33214%0.137SC..  trans-105.8-5.5-177.6-56.7-62.8-163.1-176.35.8114P166 L167 M265 E266 T270P166-R169 HydrophobicContact CG-CG 4.22Å; P166-R169 VanDerWaalsContact O-CG 3.25Å; P166-R169 WeakPolarHBondContact O-CG 3.38Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3.05Å; R169-M265 CarbonylContact O-C 3.5Å; R169-M265 VanDerWaalsContact O-CA 3.25Å; R169-M265 WeakPolarHBondContact O-CA 3.44Å; R169-E266 PolarHBondContact O-N 2.87Å; R169-T270 HydrophobicContact CB-CG2 3.63Å; R169-T270 VanDerWaalsContact CD-OG1 3.31Å; R169-T270 WeakPolarHBondContact CD-OG1 3.38Å; R169-T270 HydrophobicContact CG-CG2 3.75Å; R169-T270 VanDerWaalsContact CG-OG1 3.3Å; R169-T270 WeakPolarHBondContact CG-OG1 3.38Å; R169-T270 PolarHBondContact NE-OG1 2.76Å
170V98.8Very high98.6Very high6 Ų626.2 Ų26.24%0.03614%0.137CC..EExtended strand (participates in β ladder)trans-114.7138.7-179.6176.90000110.1L138 L162 T164 G242 I264 M265L138-V170 HydrophobicContact CD1-CG1 4.04Å; L138-V170 HydrophobicContact CD1-CG2 3.98Å; L162-V170 HydrophobicContact CB-CG1 4.22Å; L162-V170 HydrophobicContact CD1-CG1 4.01Å; T164-V170 HydrophobicContact CG2-CG2 3.82Å; V170-G242 WeakPolarHBondContact O-CA 2.98Å; V170-G242 PolarHBondContact O-N 2.92Å; V170-I264 WeakPolarHBondContact CA-O 3.47Å; V170-M265 HydrophobicContact CG2-CB 4.42Å; V170-M265 HydrophobicContact CG2-CG 4.41Å
171M98.6Very high98.6Very high7 Ų728.7 Ų28.73%0.03415%0.152CC..EExtended strand (participates in β ladder)trans-137.6144.4170.766.2174.6-62.500111.6Y12 L130 L132 L173 L239 I240 H263 I264Y12-M171 WeakPolarHBondContact OH-CB 3.49Å; L130-M171 HydrophobicContact CD1-CE 3.64Å; L130-M171 HydrophobicContact CD1-SD 3.81Å; L132-M171 HydrophobicContact CD2-SD 4.24Å; M171-L173 HydrophobicContact CE-CD1 3.94Å; M171-L173 HydrophobicContact CE-CG 4.48Å; M171-L239 HydrophobicContact CE-CB 4.21Å; M171-L239 HydrophobicContact CE-CD1 4.35Å; M171-L239 HydrophobicContact CE-CD2 4.09Å; M171-L239 HydrophobicContact CE-CG 4.46Å; M171-I240 CarbonylContact C-O 3.6Å; M171-I240 VanDerWaalsContact CA-O 3.24Å; M171-I240 WeakPolarHBondContact CA-O 3.35Å; M171-H263 CarbonylContact O-C 3.6Å; M171-H263 VanDerWaalsContact O-CA 3.29Å; M171-H263 WeakPolarHBondContact O-CA 3.45Å; M171-I264 HydrophobicContact CG-CB 4.03Å; M171-I264 PolarHBondContact N-O 3.41Å; M171-I264 PolarHBondContact O-N 2.9Å
172G98.9Very high98.5Very high0 Ų029.8 Ų29.80%016%0.163CC..EExtended strand (participates in β ladder)trans-95.6144.2170.900000111.9L239 I240G172-L239 WeakPolarHBondContact O-CA 3.39Å; G172-I240 PolarHBondContact N-O 3.26Å; G172-I240 PolarHBondContact O-N 2.78Å
173L98.9Very high98.3Very high1 Ų135.1 Ų35.11%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-115.4115.8163.6-73.487.7000107.7V123 I126 M171 V237 L239 T261 F262 I264V123-L173 HydrophobicContact CG1-CD2 4.02Å; V123-L173 HydrophobicContact CG2-CD2 4.32Å; I126-L173 HydrophobicContact CD1-CD2 4.46Å; M171-L173 HydrophobicContact CE-CD1 3.94Å; M171-L173 HydrophobicContact CE-CG 4.48Å; L173-V237 HydrophobicContact CB-CG2 4.22Å; L173-V237 HydrophobicContact CD2-CG2 4.48Å; L173-L239 HydrophobicContact CD2-CD2 3.92Å; L173-L239 HydrophobicContact CG-CD2 3.75Å; L173-T261 CarbonylContact O-C 3.6Å; L173-T261 WeakPolarHBondContact O-CA 3.29Å; L173-T261 PolarHBondContact O-OG1 3.46Å; L173-T261 VanDerWaalsContact O-OG1 3.08Å; L173-F262 HydrophobicContact CB-CD1 4.37Å; L173-F262 HydrophobicContact CB-CD2 4.48Å; L173-F262 HydrophobicContact CB-CE1 3.98Å; L173-F262 HydrophobicContact CB-CE2 4.1Å; L173-F262 HydrophobicContact CB-CZ 3.84Å; L173-F262 HydrophobicContact CD1-CD2 4.28Å; L173-F262 HydrophobicContact CD1-CE2 3.75Å; L173-F262 HydrophobicContact CD1-CZ 4.19Å; L173-F262 HydrophobicContact CD2-CE2 4.09Å; L173-F262 HydrophobicContact CD2-CZ 3.72Å; L173-F262 HydrophobicContact CG-CE2 4.19Å; L173-F262 HydrophobicContact CG-CZ 4.12Å; L173-F262 PolarHBondContact N-O 2.87Å; L173-F262 PolarHBondContact O-N 2.97Å; L173-I264 HydrophobicContact CD1-CD1 3.41Å; L173-I264 VanDerWaalsContact CD1-CD1 3.41Å; L173-I264 HydrophobicContact CD1-CG1 4.06Å
174W98.9Very high98.2Very high9 Ų933.8 Ų33.83%0.03419%0.186CC..EExtended strand (participates in β ladder)trans-110.2111.6-179.3-174.2105.3000108.5A176 A180 L187 V232 V237 V238 I240 V259W174-A176 HydrophobicContact CZ3-CB 3.87Å; W174-A180 HydrophobicContact CH2-CB 3.59Å; W174-A180 HydrophobicContact CZ3-CB 4.2Å; W174-L187 HydrophobicContact CB-CD1 4.39Å; W174-L187 HydrophobicContact CD2-CD1 3.86Å; W174-L187 HydrophobicContact CD2-CG 4.4Å; W174-L187 HydrophobicContact CE3-CD1 4.46Å; W174-L187 HydrophobicContact CG-CD1 3.83Å; W174-L187 HydrophobicContact CZ2-CD1 4.48Å; W174-L187 HydrophobicContact CZ2-CG 4.14Å; W174-V232 HydrophobicContact CZ3-CB 4.3Å; W174-V232 HydrophobicContact CZ3-CG2 4.37Å; W174-V237 CarbonylContact O-C 3.55Å; W174-V237 VanDerWaalsContact O-CA 3.25Å; W174-V237 WeakPolarHBondContact O-CA 3.4Å; W174-V237 WeakPolarHBondContact O-CG2 3.38Å; W174-V238 HydrophobicContact CB-CB 4.28Å; W174-V238 HydrophobicContact CE3-CG2 3.97Å; W174-V238 HydrophobicContact CZ3-CG2 4.49Å; W174-V238 PolarHBondContact N-O 3.07Å; W174-V238 PolarHBondContact O-N 2.87Å; W174-I240 HydrophobicContact CB-CD1 3.9Å; W174-I240 HydrophobicContact CG-CD1 4.49Å; W174-V259 HydrophobicContact CD2-CG1 3.67Å; W174-V259 HydrophobicContact CD2-CG2 4.1Å; W174-V259 HydrophobicContact CE3-CG1 4.4Å; W174-V259 HydrophobicContact CE3-CG2 4.44Å; W174-V259 HydrophobicContact CG-CG1 3.78Å; W174-V259 HydrophobicContact CH2-CG2 3.49Å; W174-V259 VanDerWaalsContact CH2-CG2 3.49Å; W174-V259 HydrophobicContact CZ2-CB 4.23Å; W174-V259 HydrophobicContact CZ2-CG1 4.17Å; W174-V259 HydrophobicContact CZ2-CG2 3.08Å; W174-V259 HydrophobicContact CZ3-CG2 4.17Å
175I98.9Very high98.1Very high0 Ų033.7 Ų33.70%019%0.186CC..EExtended strand (participates in β ladder)trans-109.2117.7-171.5-53.4171.7000109.4L23 L24 V117 L177 V237 V259 Y260 F262L23-I175 HydrophobicContact CD2-CD1 3.53Å; L23-I175 HydrophobicContact CD2-CG1 3.74Å; L23-I175 HydrophobicContact CD2-CG2 4.37Å; L24-I175 HydrophobicContact CD1-CG2 3.68Å; L24-I175 HydrophobicContact CG-CG2 4.07Å; V117-I175 HydrophobicContact CG1-CD1 4.07Å; I175-L177 HydrophobicContact CG2-CD2 4.4Å; I175-L177 PolarHBondContact O-N 3.36Å; I175-V237 HydrophobicContact CG1-CB 4.23Å; I175-V237 HydrophobicContact CG1-CG2 3.82Å; I175-V259 WeakPolarHBondContact O-CA 3.27Å; I175-Y260 WeakPolarHBondContact CA-O 3.05Å; I175-Y260 WeakPolarHBondContact CB-O 3.18Å; I175-Y260 HydrophobicContact CD1-CD1 4.06Å; I175-Y260 PolarHBondContact N-O 2.78Å; I175-Y260 PolarHBondContact O-N 3.48Å; I175-F262 HydrophobicContact CD1-CE1 3.85Å
176A98.8Very high98.1Very high0 Ų028.8 Ų28.80%016%0.163CC..EExtended strand (participates in β ladder)trans-69113176.700000110.4W174 E178 V232 K233 G235 G236W174-A176 HydrophobicContact CZ3-CB 3.87Å; A176-E178 WeakPolarHBondContact CB-O 3.11Å; A176-V232 HydrophobicContact CB-CB 4.33Å; A176-V232 HydrophobicContact CB-CG1 3.87Å; A176-K233 WeakPolarHBondContact CB-O 3.47Å; A176-G235 PolarHBondContact O-N 3.06Å; A176-G236 PolarHBondContact N-O 2.98Å
177L98.8Very high98.1Very high0 Ų026 Ų260%014%0.144CC..SBendtrans-90.4-13.1171.7-53.2-178000112.2L24 C29 L32 K33 Y142 I175 K234 H258L24-L177 HydrophobicContact CD1-CD2 4.23Å; C29-L177 HydrophobicContact CB-CB 4.47Å; C29-L177 HydrophobicContact CB-CD2 4.33Å; L32-L177 HydrophobicContact CB-CD1 4.18Å; L32-L177 HydrophobicContact CB-CD2 4.29Å; L32-L177 HydrophobicContact CD1-CD2 3.61Å; K33-L177 HydrophobicContact CD-CB 4.35Å; K33-L177 HydrophobicContact CG-CB 3.98Å; K33-L177 HydrophobicContact CG-CD1 4.34Å; Y142-L177 HydrophobicContact CD2-CD1 4.06Å; Y142-L177 HydrophobicContact CE2-CD1 3.19Å; I175-L177 HydrophobicContact CG2-CD2 4.4Å; I175-L177 PolarHBondContact O-N 3.36Å; L177-K234 WeakPolarHBondContact O-CD 3.46Å; L177-K234 WeakPolarHBondContact O-CE 3.41Å; L177-K234 WeakPolarHBondContact O-CG 3.47Å; L177-H258 WeakPolarHBondContact CA-O 3.43Å; L177-H258 HydrophobicContact CB-CB 4.16Å; L177-H258 WeakPolarHBondContact CB-O 3.38Å; L177-H258 PolarHBondContact N-O 2.84Å
178E98.6Very high98.1Very high33 Ų3326.3 Ų26.315%0.15414%0.142CC..SBendtrans-135.2165.3171.3-64.4-177.712900108.8K33 A176 A180 S256 R257 H258K33-E178 HydrophobicContact CD-CG 3.87Å; K33-E178 WeakPolarHBondContact CE-OE1 3.09Å; K33-E178 IonicContact NZ-OE1 3.6Å; K33-E178 PolarHBondContact NZ-OE1 2.92Å; A176-E178 WeakPolarHBondContact CB-O 3.11Å; E178-A180 PolarHBondContact O-N 3.09Å; E178-S256 VanDerWaalsContact CD-OG 3.24Å; E178-S256 PolarHBondContact OE1-OG 2.79Å; E178-S256 VanDerWaalsContact OE1-OG 3.08Å; E178-S256 WeakPolarHBondContact OE2-CB 3.14Å; E178-S256 PolarHBondContact OE2-OG 2.85Å; E178-R257 PolarHBondContact OE2-N 3.46Å; E178-H258 HydrophobicContact CG-CB 4.12Å; E178-H258 PolarHBondContact N-O 2.97Å; E178-H258 WeakPolarHBondContact OE2-CB 3.16Å; E178-H258 IonicContact OE2-CD2 3.52Å; E178-H258 PolarHBondContact OE2-CD2 3.08Å; E178-H258 IonicContact OE2-CG 2.92Å; E178-H258 PolarHBondContact OE2-N 2.92Å
179D98.4Very high98.1Very high60 Ų6024.5 Ų24.532%0.32112%0.123SC..  trans-58.9125.9170.8-86.915.7000109.9T181 N184 K233 K234D179-T181 HydrophobicContact CB-CG2 4.49Å; D179-N184 PolarHBondContact O-ND2 2.98Å; D179-K233 WeakPolarHBondContact OD1-CA 3.09Å; D179-K233 WeakPolarHBondContact OD1-CD 3.32Å; D179-K233 WeakPolarHBondContact OD2-CD 3.36Å; D179-K233 IonicContact OD2-NZ 3.67Å; D179-K233 PolarHBondContact OD2-NZ 3.17Å; D179-K234 PolarHBondContact OD1-N 2.88Å
180A98.3Very high98.1Very high2 Ų221.1 Ų21.12%0.01711%0.112CC..BIsolated β-bridgetrans-101.5115.8172.300000108.9W174 E178 C186 P231 V232 R257W174-A180 HydrophobicContact CH2-CB 3.59Å; W174-A180 HydrophobicContact CZ3-CB 4.2Å; E178-A180 PolarHBondContact O-N 3.09Å; A180-C186 HydrophobicContact CB-CB 4.15Å; A180-P231 CarbonylContact O-C 3.46Å; A180-P231 WeakPolarHBondContact O-CA 3.31Å; A180-P231 WeakPolarHBondContact O-CB 3.25Å; A180-V232 HydrophobicContact CB-CB 4.4Å; A180-V232 PolarHBondContact N-O 3.37Å; A180-V232 PolarHBondContact O-N 2.92Å; A180-R257 HydrophobicContact CB-CG 3.94Å
181T97.9Very high98.1Very high51 Ų5123.2 Ų23.231%0.31313%0.126SC..  trans-120.5167.7-176.272.40000109.7D179 N183 N184 G185 C186D179-T181 HydrophobicContact CB-CG2 4.49Å; T181-N183 PolarHBondContact O-N 2.85Å; T181-N183 PolarHBondContact OG1-N 2.89Å; T181-N184 WeakPolarHBondContact CA-OD1 3.41Å; T181-N184 PolarHBondContact N-OD1 2.82Å; T181-N184 PolarHBondContact O-N 3.46Å; T181-N184 PolarHBondContact O-OD1 3.28Å; T181-N184 VanDerWaalsContact O-OD1 3.13Å; T181-N184 PolarHBondContact OG1-N 2.94Å; T181-N184 PolarHBondContact OG1-OD1 2.92Å; T181-N184 VanDerWaalsContact OG1-OD1 3.04Å; T181-G185 PolarHBondContact O-N 2.93Å; T181-C186 VanDerWaalsContact O-CB 3.25Å; T181-C186 WeakPolarHBondContact O-CB 3.27Å; T181-C186 PolarHBondContact O-N 3.07Å
182V96.6Very high98.1Very high74 Ų7424.1 Ų24.145%0.44814%0.137SC..THydrogen-bonded Turntrans-57-37.3173.7175.10000111.2W188 A229V182-W188 HydrophobicContact CG1-CZ2 4.12Å; V182-A229 HydrophobicContact CG2-CB 4.06Å
183N94.4Very high98Very high113 Ų11325.2 Ų25.260%0.60414%0.144SC*.THydrogen-bonded Turntrans-75.8-32-173.4-62.5-13.8000113.3T181T181-N183 PolarHBondContact O-N 2.85Å; T181-N183 PolarHBondContact OG1-N 2.89Å
184N96.4Very high98Very high6 Ų626.1 Ų26.13%0.03215%0.148CC..THydrogen-bonded Turntrans-101.818.1179.275.4-7.9000113.6D179 T181 N251 S253 S256 R257D179-N184 PolarHBondContact O-ND2 2.98Å; T181-N184 WeakPolarHBondContact CA-OD1 3.41Å; T181-N184 PolarHBondContact N-OD1 2.82Å; T181-N184 PolarHBondContact O-N 3.46Å; T181-N184 PolarHBondContact O-OD1 3.28Å; T181-N184 VanDerWaalsContact O-OD1 3.13Å; T181-N184 PolarHBondContact OG1-N 2.94Å; T181-N184 PolarHBondContact OG1-OD1 2.92Å; T181-N184 VanDerWaalsContact OG1-OD1 3.04Å; N184-N251 WeakPolarHBondContact CA-OD1 3.25Å; N184-S253 VanDerWaalsContact CB-OG 3.24Å; N184-S253 WeakPolarHBondContact CB-OG 3.42Å; N184-S256 PolarHBondContact ND2-O 3.28Å; N184-R257 HydrophobicContact CB-CB 4.29Å; N184-R257 VanDerWaalsContact O-CB 3.31Å; N184-R257 WeakPolarHBondContact O-CB 3.18Å
185G95.9Very high97.7Very high0 Ų030.5 Ų30.50%018%0.18CC..THydrogen-bonded Turntrans79.954171.700000114T181 R257T181-G185 PolarHBondContact O-N 2.93Å; G185-R257 PolarHBondContact O-NE 3Å; G185-R257 PolarHBondContact O-NH2 2.9Å
186C97.9Very high97.4Very high0 Ų035.6 Ų35.60%022%0.216CC..  trans-59.3167.6163.7750000111.8A180 T181 V230A180-C186 HydrophobicContact CB-CB 4.15Å; T181-C186 VanDerWaalsContact O-CB 3.25Å; T181-C186 WeakPolarHBondContact O-CB 3.27Å; T181-C186 PolarHBondContact O-N 3.07Å; C186-V230 WeakPolarHBondContact CB-O 3.2Å
187L98.5Very high97.3Very high9 Ų936.7 Ų36.75%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-73.5152.8175.3-63.8-179.5000111.1W174 F189 V230 I240 R247W174-L187 HydrophobicContact CB-CD1 4.39Å; W174-L187 HydrophobicContact CD2-CD1 3.86Å; W174-L187 HydrophobicContact CD2-CG 4.4Å; W174-L187 HydrophobicContact CE3-CD1 4.46Å; W174-L187 HydrophobicContact CG-CD1 3.83Å; W174-L187 HydrophobicContact CZ2-CD1 4.48Å; W174-L187 HydrophobicContact CZ2-CG 4.14Å; L187-F189 HydrophobicContact CB-CD2 4.22Å; L187-F189 HydrophobicContact CB-CE2 3.46Å; L187-F189 VanDerWaalsContact CB-CE2 3.46Å; L187-F189 HydrophobicContact CB-CZ 4.04Å; L187-F189 HydrophobicContact CD1-CE2 3.87Å; L187-F189 HydrophobicContact CD1-CZ 3.65Å; L187-F189 HydrophobicContact CG-CE2 4.32Å; L187-F189 HydrophobicContact CG-CZ 4.46Å; L187-V230 PolarHBondContact O-N 3.16Å; L187-I240 HydrophobicContact CD1-CD1 3.84Å; L187-R247 CarbonylContact C-O 3.58Å; L187-R247 WeakPolarHBondContact CA-O 3.44Å
188W98.8Very high97.2Very high55 Ų5538.3 Ų38.321%0.20824%0.235CC..EExtended strand (participates in β ladder)trans-129.6138.7169.9-66.569.1000108.6V182 F227 V228 A229 H246 R247V182-W188 HydrophobicContact CG1-CZ2 4.12Å; W188-F227 HydrophobicContact CB-CB 4.22Å; W188-F227 HydrophobicContact CB-CD1 3.93Å; W188-F227 HydrophobicContact CB-CG 4.46Å; W188-F227 HydrophobicContact CE3-CB 3.89Å; W188-V228 VanDerWaalsContact CA-O 3.27Å; W188-V228 WeakPolarHBondContact CA-O 3.39Å; W188-A229 HydrophobicContact CD2-CB 3.75Å; W188-A229 HydrophobicContact CE3-CB 3.79Å; W188-A229 VanDerWaalsContact CE3-N 3.25Å; W188-A229 HydrophobicContact CH2-CB 3.71Å; W188-A229 HydrophobicContact CZ2-CB 3.63Å; W188-A229 HydrophobicContact CZ3-CB 3.78Å; W188-H246 CarbonylContact O-C 3.07Å; W188-H246 WeakPolarHBondContact O-CA 3.19Å; W188-H246 WeakPolarHBondContact O-CB 3.29Å; W188-R247 HydrophobicContact CB-CG 3.79Å; W188-R247 HydrophobicContact CG-CG 4.5Å; W188-R247 PolarHBondContact N-O 2.94Å; W188-R247 PolarHBondContact O-N 3.29Å
189F98.8Very high97.1Very high0 Ų039.7 Ų39.70%025%0.249CC..EExtended strand (participates in β ladder)trans-127.8154.9-176.6-67.5-95.1000111.2Y17 L187 P191 F227 V228 V230 V238 I240 V244 V245 H246Y17-F189 HydrophobicContact CD1-CB 3.69Å; Y17-F189 AromaticContact CD1-CD1 3.86Å; Y17-F189 HydrophobicContact CD1-CD1 3.86Å; Y17-F189 HydrophobicContact CD1-CD2 4.28Å; Y17-F189 AromaticContact CD1-CG 3.69Å; Y17-F189 HydrophobicContact CD1-CG 3.69Å; Y17-F189 HydrophobicContact CD2-CD2 4.03Å; Y17-F189 HydrophobicContact CD2-CE2 4.17Å; Y17-F189 HydrophobicContact CD2-CG 4.25Å; Y17-F189 HydrophobicContact CE1-CB 3.53Å; Y17-F189 HydrophobicContact CE1-CD2 4.39Å; Y17-F189 AromaticContact CE1-CG 3.94Å; Y17-F189 HydrophobicContact CE1-CG 3.94Å; Y17-F189 HydrophobicContact CE2-CD2 4.16Å; Y17-F189 HydrophobicContact CE2-CG 4.48Å; Y17-F189 HydrophobicContact CG-CB 4.35Å; Y17-F189 AromaticContact CG-CD1 3.91Å; Y17-F189 HydrophobicContact CG-CD1 3.91Å; Y17-F189 HydrophobicContact CG-CD2 4.09Å; Y17-F189 HydrophobicContact CG-CE1 4.21Å; Y17-F189 HydrophobicContact CG-CE2 4.34Å; Y17-F189 AromaticContact CG-CG 3.85Å; Y17-F189 HydrophobicContact CG-CG 3.85Å; Y17-F189 HydrophobicContact CG-CZ 4.4Å; L187-F189 HydrophobicContact CB-CD2 4.22Å; L187-F189 HydrophobicContact CB-CE2 3.46Å; L187-F189 VanDerWaalsContact CB-CE2 3.46Å; L187-F189 HydrophobicContact CB-CZ 4.04Å; L187-F189 HydrophobicContact CD1-CE2 3.87Å; L187-F189 HydrophobicContact CD1-CZ 3.65Å; L187-F189 HydrophobicContact CG-CE2 4.32Å; L187-F189 HydrophobicContact CG-CZ 4.46Å; F189-P191 WeakPolarHBondContact O-CD 3.25Å; F189-F227 CarbonylContact O-C 3.53Å; F189-F227 WeakPolarHBondContact O-CA 3.49Å; F189-V228 PolarHBondContact N-O 3.07Å; F189-V228 PolarHBondContact O-N 3.25Å; F189-V230 HydrophobicContact CD2-CB 4.17Å; F189-V230 HydrophobicContact CD2-CG2 3.54Å; F189-V230 HydrophobicContact CE2-CB 4.2Å; F189-V230 HydrophobicContact CE2-CG2 4.03Å; F189-V238 HydrophobicContact CE2-CG1 4.04Å; F189-V238 HydrophobicContact CZ-CG1 3.82Å; F189-I240 HydrophobicContact CE1-CD1 4.37Å; F189-I240 HydrophobicContact CE1-CG1 4.03Å; F189-I240 HydrophobicContact CE1-CG2 4.12Å; F189-I240 HydrophobicContact CZ-CD1 4.04Å; F189-I240 HydrophobicContact CZ-CG1 3.9Å; F189-V244 HydrophobicContact CD1-CG1 3.69Å; F189-V244 HydrophobicContact CD1-CG2 4.05Å; F189-V244 HydrophobicContact CE1-CG1 3.77Å; F189-V245 WeakPolarHBondContact CA-O 3.35Å; F189-H246 HydrophobicContact CD1-CB 3.44Å; F189-H246 VanDerWaalsContact CD1-CB 3.44Å; F189-H246 HydrophobicContact CE1-CB 3.47Å; F189-H246 VanDerWaalsContact CE1-CB 3.47Å; F189-H246 AromaticContact CE1-CG 3.97Å; F189-H246 HydrophobicContact CG-CB 4.08Å; F189-H246 HydrophobicContact CZ-CB 4.16Å
190I98.6Very high97Very high18 Ų1839.4 Ų39.49%0.09224%0.243CC..  trans-99.1101.7161.4-58.4178000107.4G192 S193 Y222 K226 F227 V245I190-G192 PolarHBondContact O-N 3.32Å; I190-S193 VanDerWaalsContact O-CB 3.3Å; I190-S193 WeakPolarHBondContact O-CB 3.44Å; I190-S193 PolarHBondContact O-N 2.85Å; I190-S193 PolarHBondContact O-OG 2.84Å; I190-Y222 HydrophobicContact CD1-CD1 3.53Å; I190-Y222 HydrophobicContact CD1-CE1 4.38Å; I190-Y222 HydrophobicContact CD1-CG 3.9Å; I190-K226 HydrophobicContact CD1-CB 4.28Å; I190-K226 HydrophobicContact CG1-CB 4.17Å; I190-K226 HydrophobicContact CG2-CB 4.1Å; I190-F227 HydrophobicContact CD1-CD2 4.29Å; I190-F227 HydrophobicContact CD1-CE1 4.11Å; I190-F227 HydrophobicContact CD1-CE2 3.83Å; I190-F227 HydrophobicContact CD1-CZ 3.72Å; I190-F227 HydrophobicContact CG1-CD1 3.81Å; I190-F227 HydrophobicContact CG1-CD2 4.17Å; I190-F227 HydrophobicContact CG1-CE1 3.72Å; I190-F227 HydrophobicContact CG1-CE2 4.1Å; I190-F227 HydrophobicContact CG1-CG 4.04Å; I190-F227 HydrophobicContact CG1-CZ 3.87Å; I190-V245 HydrophobicContact CB-CB 4.35Å; I190-V245 HydrophobicContact CD1-CB 4.21Å; I190-V245 HydrophobicContact CD1-CG1 3.89Å; I190-V245 HydrophobicContact CG1-CB 4.41Å; I190-V245 HydrophobicContact CG1-CG1 4.33Å; I190-V245 PolarHBondContact N-O 2.81Å
191P98.6Very high97Very high50 Ų5041.4 Ų41.433%0.32525%0.25SS..THydrogen-bonded Turntrans-58.2132.2-178.3-20.630.8000111.6D15 Y17 F189 S193 V228D15-P191 HydrophobicContact CB-CB 4.16Å; D15-P191 WeakPolarHBondContact O-CA 3.42Å; Y17-P191 HydrophobicContact CE1-CB 4.27Å; Y17-P191 HydrophobicContact CE1-CG 4.06Å; F189-P191 WeakPolarHBondContact O-CD 3.25Å; P191-S193 VanDerWaalsContact C-N 3.31Å; P191-S193 PolarHBondContact O-N 3.34Å; P191-V228 HydrophobicContact CG-CB 4.4Å; P191-V228 HydrophobicContact CG-CG2 3.92Å
192G98.3Very high96.9Very high26 Ų2640 Ų4027%0.26824%0.24SC..THydrogen-bonded Turntrans83.5-2178.400000115.1D15 I190 Q194 S195D15-G192 PolarHBondContact O-N 2.86Å; I190-G192 PolarHBondContact O-N 3.32Å; G192-Q194 PolarHBondContact O-N 2.69Å; G192-S195 PolarHBondContact O-OG 2.89Å
193S98.2Very high96.9Very high22 Ų2237 Ų3715%0.15422%0.223CC..G310 helixtrans-66-16.2-18055.70000114.6I190 P191 S195 V245I190-S193 VanDerWaalsContact O-CB 3.3Å; I190-S193 WeakPolarHBondContact O-CB 3.44Å; I190-S193 PolarHBondContact O-N 2.85Å; I190-S193 PolarHBondContact O-OG 2.84Å; P191-S193 VanDerWaalsContact C-N 3.31Å; P191-S193 PolarHBondContact O-N 3.34Å; S193-S195 PolarHBondContact O-N 3.15Å; S193-V245 PolarHBondContact OG-N 3.02Å
194Q98Very high96.8Very high20 Ų2036 Ų369%0.09321%0.21CC..G310 helixtrans-67.5-14.9-179.174.9-73.4-4.200114.7K13 Q14 D15 G192 S196 H241 E243 V244K13-Q194 PolarHBondContact O-NE2 3.47Å; Q14-Q194 PolarHBondContact O-NE2 2.91Å; D15-Q194 PolarHBondContact O-OE1 2.85Å; G192-Q194 PolarHBondContact O-N 2.69Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S196 PolarHBondContact O-N 2.86Å; Q194-H241 HydrophobicContact CB-CB 4.32Å; Q194-E243 WeakPolarHBondContact CA-O 3.16Å; Q194-E243 HydrophobicContact CB-CB 3.99Å; Q194-V244 HydrophobicContact CB-CB 4.28Å
195S94Very high96.6Very high101 Ų10137.1 Ų37.171%0.70622%0.217SC*.G310 helixtrans-78.9-3.1-172.958.80000115.6G192 S193G192-S195 PolarHBondContact O-OG 2.89Å; S193-S195 PolarHBondContact O-N 3.15Å
196S92.2Very high96.2Very high108 Ų10842 Ų4276%0.75525%0.249SC*.G310 helixtrans-115.814.9-170.3-60.10000114.4Q194Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S196 PolarHBondContact O-N 2.86Å
197G96.1Very high95.6Very high22 Ų2252.4 Ų52.423%0.22729%0.294CS..  trans69.2-153.2-175.600000111.8Q157Q157-G197 PolarHBondContact NE2-O 2.93Å
198I97.7Very high94.8Very high35 Ų3556.3 Ų56.318%0.17934%0.336CS..  trans-121.2148.1-178.665.5178.2000112.1Q157 A159 Y163 L167 R201 E243Q157-I198 HydrophobicContact CB-CG2 4.23Å; A159-I198 HydrophobicContact CB-CG2 3.76Å; A159-I198 WeakPolarHBondContact O-CD1 3.3Å; Y163-I198 HydrophobicContact CD2-CD1 3.41Å; Y163-I198 VanDerWaalsContact CD2-CD1 3.41Å; Y163-I198 HydrophobicContact CE2-CD1 3.68Å; Y163-I198 HydrophobicContact CE2-CG1 4.4Å; L167-I198 HydrophobicContact CD1-CG1 4.38Å; L167-I198 HydrophobicContact CD2-CD1 4.44Å; I198-R201 HydrophobicContact CD1-CG 3.42Å; I198-R201 VanDerWaalsContact CD1-CG 3.42Å; I198-R201 HydrophobicContact CG1-CG 4.39Å; I198-E243 HydrophobicContact CG2-CG 3.99Å
199S95.9Very high94.2Very high62 Ų6255.6 Ų55.643%0.43434%0.34SS..SBendtrans-97.9-14.1-179.8-58.40000114.1R218 P220S199-R218 WeakPolarHBondContact CB-O 2.99Å; S199-R218 PolarHBondContact O-N 2.83Å; S199-R218 VanDerWaalsContact O-N 3.16Å; S199-P220 VanDerWaalsContact CB-CD 3.49Å
200R96.7Very high93.3Very high53 Ų5360.5 Ų60.520%0.236%0.362CS..EExtended strand (participates in β ladder)trans-145146.4-176-172.1175.165.6-179.6-6.5110.8T160 F215 I216 E219T160-R200 WeakPolarHBondContact CA-O 3.49Å; T160-R200 VanDerWaalsContact CB-O 3.28Å; T160-R200 WeakPolarHBondContact CB-O 3.44Å; T160-R200 HydrophobicContact CG2-CB 4.33Å; T160-R200 HydrophobicContact CG2-CG 4.28Å; T160-R200 VanDerWaalsContact CG2-O 3.3Å; T160-R200 WeakPolarHBondContact CG2-O 3.43Å; T160-R200 PolarHBondContact OG1-O 3.3Å; R200-F215 HydrophobicContact CG-CB 4.26Å; R200-F215 HydrophobicContact CG-CD1 3.68Å; R200-F215 HydrophobicContact CG-CE1 4.44Å; R200-F215 HydrophobicContact CG-CG 4.35Å; R200-I216 CarbonylContact C-O 3.57Å; R200-I216 WeakPolarHBondContact CA-O 3.29Å; R200-E219 HydrophobicContact CB-CG 4.39Å; R200-E219 VanDerWaalsContact CZ-CG 3.42Å; R200-E219 VanDerWaalsContact NH2-CG 3.34Å
201R97.5Very high92.6Very high44 Ų4462.9 Ų62.917%0.16638%0.378CS..EExtended strand (participates in β ladder)trans-130136.2171.2-74.5179.460.6-153.2-7.9110.8T160 Y163 I198 V203 F215 I216 S273 D275T160-R201 CarbonylContact O-C 3.49Å; T160-R201 WeakPolarHBondContact O-CA 3.4Å; Y163-R201 HydrophobicContact CD2-CG 4.11Å; Y163-R201 HydrophobicContact CG-CG 4.45Å; Y163-R201 VanDerWaalsContact CG-NE 3.28Å; I198-R201 HydrophobicContact CD1-CG 3.42Å; I198-R201 VanDerWaalsContact CD1-CG 3.42Å; I198-R201 HydrophobicContact CG1-CG 4.39Å; R201-V203 HydrophobicContact CB-CG1 4.47Å; R201-F215 CarbonylContact O-C 3.54Å; R201-F215 VanDerWaalsContact O-CA 3.27Å; R201-F215 WeakPolarHBondContact O-CA 3.3Å; R201-I216 PolarHBondContact N-O 3.48Å; R201-I216 PolarHBondContact O-N 2.87Å; R201-S273 PolarHBondContact NH2-OG 2.63Å; R201-D275 IonicContact NH2-OD2 2.68Å
202M96.3Very high92.1Very high21 Ų2161.9 Ų61.910%0.10337%0.37CS..EExtended strand (participates in β ladder)trans-85.5129.4163.1-179.8-178.6-8200108.6T160 F161 T213 D214 F215 W277T160-M202 PolarHBondContact O-N 3.12Å; F161-M202 HydrophobicContact CD1-CB 3.85Å; F161-M202 HydrophobicContact CD1-CE 3.88Å; F161-M202 HydrophobicContact CD1-CG 4.45Å; F161-M202 HydrophobicContact CD1-SD 3.8Å; F161-M202 HydrophobicContact CE1-CB 4.3Å; F161-M202 HydrophobicContact CE1-CE 3.65Å; F161-M202 HydrophobicContact CE1-SD 4.21Å; M202-T213 HydrophobicContact CG-CG2 4.38Å; M202-T213 HydrophobicContact SD-CG2 4.2Å; M202-D214 CarbonylContact C-O 3.58Å; M202-D214 WeakPolarHBondContact CA-O 3.4Å; M202-F215 HydrophobicContact CB-CD1 4Å; M202-F215 HydrophobicContact CB-CE1 3.7Å; M202-F215 HydrophobicContact CB-CZ 4.32Å; M202-F215 HydrophobicContact CE-CE1 3.98Å; M202-F215 HydrophobicContact CE-CE2 3.91Å; M202-F215 HydrophobicContact CE-CZ 3.37Å; M202-F215 HydrophobicContact CG-CE1 4.35Å; M202-W277 HydrophobicContact SD-CB 4.16Å; M202-W277 HydrophobicContact SD-CG 4.28Å
203V96.1Very high91.7Very high13 Ų1362.3 Ų62.38%0.07937%0.367CS..EExtended strand (participates in β ladder)trans-126.3149.6179.1-630000111.1R201 T213 D214 I216 D275R201-V203 HydrophobicContact CB-CG1 4.47Å; V203-T213 CarbonylContact O-C 3.46Å; V203-T213 WeakPolarHBondContact O-CA 3.27Å; V203-D214 HydrophobicContact CG2-CB 4.36Å; V203-D214 PolarHBondContact N-O 3.12Å; V203-D214 PolarHBondContact O-N 3.38Å; V203-I216 HydrophobicContact CB-CD1 4.46Å; V203-I216 HydrophobicContact CG1-CD1 3.75Å; V203-I216 HydrophobicContact CG1-CG1 4.23Å; V203-I216 HydrophobicContact CG2-CD1 3.95Å; V203-I216 HydrophobicContact CG2-CG1 3.94Å; V203-D275 CarbonylContact C-O 3.45Å; V203-D275 VanDerWaalsContact CA-O 3.28Å; V203-D275 WeakPolarHBondContact CA-O 3.15Å; V203-D275 HydrophobicContact CB-CB 4.08Å; V203-D275 HydrophobicContact CG1-CB 3.91Å
204R93.5Very high91.4Very high92 Ų9265.6 Ų65.635%0.34738%0.383SS..EExtended strand (participates in β ladder)trans-66.1137.5165.4-72.5-174.4172.1-170.6-1.6109.3I71 L212 D275 N276 W277I71-R204 HydrophobicContact CD1-CG 4.05Å; I71-R204 PolarHBondContact O-NH2 3.16Å; R204-L212 WeakPolarHBondContact CA-O 3.26Å; R204-D275 PolarHBondContact N-O 3.48Å; R204-N276 WeakPolarHBondContact CD-O 3.49Å; R204-N276 PolarHBondContact NE-O 3.06Å; R204-W277 PolarHBondContact NE-O 3.34Å; R204-W277 PolarHBondContact NH2-O 3.43Å
205T90.8Very high91.2Very high29 Ų2968.4 Ų68.418%0.17840%0.395CS..PPolyproline II helixtrans-79.6162.9170.257.70000110.5S209 P211 L212 D214T205-S209 WeakPolarHBondContact CB-OG 3.49Å; T205-S209 PolarHBondContact OG1-OG 2.9Å; T205-P211 WeakPolarHBondContact CB-O 3.26Å; T205-P211 WeakPolarHBondContact CG2-O 3.4Å; T205-P211 PolarHBondContact OG1-O 3.33Å; T205-L212 PolarHBondContact N-O 2.96Å; T205-L212 VanDerWaalsContact OG1-CA 3.28Å; T205-L212 WeakPolarHBondContact OG1-CA 3.33Å; T205-L212 PolarHBondContact OG1-O 2.88Å; T205-D214 HydrophobicContact CG2-CB 3.84Å
206P88.8Confident91.3Very high103 Ų10368.4 Ų68.467%0.66939%0.386SS*.PPolyproline II helixtrans-55146.6177.3-26.835.8000112.5G208 S209P206-G208 PolarHBondContact O-N 2.94Å; P206-S209 WeakPolarHBondContact O-CB 3.41Å; P206-S209 PolarHBondContact O-N 3.35Å; P206-S209 VanDerWaalsContact O-N 3.09Å; P206-S209 PolarHBondContact O-OG 3.07Å
207K83.6Confident91.4Very high217 Ų21765.4 Ų65.494%0.94337%0.372SS*.THydrogen-bonded Turntrans-52.6131.1177.4-70.7-175.1178.2-179.30110.7
208G82.1Confident91.3Very high91 Ų9174.6 Ų74.694%0.93840%0.4SS*.THydrogen-bonded Turntrans85.97.5-179.800000115.1P206P206-G208 PolarHBondContact O-N 2.94Å
209S86.1Confident90.9Very high41 Ų4174.7 Ų74.729%0.28740%0.4SS..  trans-102.6158.2172.667.10000112.3T205 P206 L212T205-S209 WeakPolarHBondContact CB-OG 3.49Å; T205-S209 PolarHBondContact OG1-OG 2.9Å; P206-S209 WeakPolarHBondContact O-CB 3.41Å; P206-S209 PolarHBondContact O-N 3.35Å; P206-S209 VanDerWaalsContact O-N 3.09Å; P206-S209 PolarHBondContact O-OG 3.07Å; S209-L212 WeakPolarHBondContact O-CD2 3.12Å
210F80.5Confident90.8Very high103 Ų10374.5 Ų74.545%0.45240%0.397SS..SBendtrans-134.1135.5172.9-172.8-97000109.1K63 Q64 A67K63-F210 HydrophobicContact CB-CE1 4.28Å; K63-F210 HydrophobicContact CB-CZ 3.7Å; Q64-F210 HydrophobicContact CB-CE2 4.43Å; A67-F210 HydrophobicContact CB-CE2 3.98Å
211P84.7Confident90.7Very high68 Ų6878.7 Ų78.744%0.44243%0.429SS..SBendcis-64.4159.71.230-36.9000113.2T205 T213T205-P211 WeakPolarHBondContact CB-O 3.26Å; T205-P211 WeakPolarHBondContact CG2-O 3.4Å; T205-P211 PolarHBondContact OG1-O 3.33Å; P211-T213 WeakPolarHBondContact CG-O 3.18Å; P211-T213 PolarHBondContact O-N 2.79Å
212L87.2Confident90.6Very high28 Ų2878.6 Ų78.615%0.14743%0.429CS..SBendtrans-75-10.8179.4-62.1-177.7000113.8A67 D68 I71 R204 T205 S209A67-L212 VanDerWaalsContact C-CD1 3.44Å; A67-L212 HydrophobicContact CB-CB 4.28Å; A67-L212 HydrophobicContact CB-CD1 3.53Å; A67-L212 HydrophobicContact CB-CG 3.84Å; D68-L212 HydrophobicContact CB-CD1 4.49Å; D68-L212 WeakPolarHBondContact OD1-CD1 3.39Å; I71-L212 HydrophobicContact CB-CD1 4.34Å; I71-L212 HydrophobicContact CG2-CD1 3.88Å; R204-L212 WeakPolarHBondContact CA-O 3.26Å; T205-L212 PolarHBondContact N-O 2.96Å; T205-L212 VanDerWaalsContact OG1-CA 3.28Å; T205-L212 WeakPolarHBondContact OG1-CA 3.33Å; T205-L212 PolarHBondContact OG1-O 2.88Å; S209-L212 WeakPolarHBondContact O-CD2 3.12Å
213T89.8Confident90.6Very high35 Ų3581.6 Ų81.622%0.21545%0.445CS..EExtended strand (participates in β ladder)trans-137.7148.3177.658.90000110.3I71 M202 V203 P211 W277I71-T213 HydrophobicContact CD1-CG2 3.85Å; M202-T213 HydrophobicContact CG-CG2 4.38Å; M202-T213 HydrophobicContact SD-CG2 4.2Å; V203-T213 CarbonylContact O-C 3.46Å; V203-T213 WeakPolarHBondContact O-CA 3.27Å; P211-T213 WeakPolarHBondContact CG-O 3.18Å; P211-T213 PolarHBondContact O-N 2.79Å; T213-W277 HydrophobicContact CG2-CB 4.21Å
214D93.1Very high90.5Very high92 Ų9286.4 Ų86.449%0.49247%0.467SS..EExtended strand (participates in β ladder)trans-134.2168.6172.8-163.59000110.3M202 V203 T205M202-D214 CarbonylContact C-O 3.58Å; M202-D214 WeakPolarHBondContact CA-O 3.4Å; V203-D214 HydrophobicContact CG2-CB 4.36Å; V203-D214 PolarHBondContact N-O 3.12Å; V203-D214 PolarHBondContact O-N 3.38Å; T205-D214 HydrophobicContact CG2-CB 3.84Å
215F92.9Very high90.6Very high79 Ų7988.7 Ų88.735%0.34649%0.486SS..EExtended strand (participates in β ladder)trans-112.9126.4174.6-74-81.4000111.8T160 F161 R200 R201 M202T160-F215 HydrophobicContact CG2-CE1 4.18Å; F161-F215 HydrophobicContact CE1-CE1 4.07Å; F161-F215 HydrophobicContact CE1-CZ 4.15Å; R200-F215 HydrophobicContact CG-CB 4.26Å; R200-F215 HydrophobicContact CG-CD1 3.68Å; R200-F215 HydrophobicContact CG-CE1 4.44Å; R200-F215 HydrophobicContact CG-CG 4.35Å; R201-F215 CarbonylContact O-C 3.54Å; R201-F215 VanDerWaalsContact O-CA 3.27Å; R201-F215 WeakPolarHBondContact O-CA 3.3Å; M202-F215 HydrophobicContact CB-CD1 4Å; M202-F215 HydrophobicContact CB-CE1 3.7Å; M202-F215 HydrophobicContact CB-CZ 4.32Å; M202-F215 HydrophobicContact CE-CE1 3.98Å; M202-F215 HydrophobicContact CE-CE2 3.91Å; M202-F215 HydrophobicContact CE-CZ 3.37Å; M202-F215 HydrophobicContact CG-CE1 4.35Å
216I95.3Very high91Very high100 Ų10092.4 Ų92.451%0.51350%0.5SS..EExtended strand (participates in β ladder)trans-96.1131.5167.9-55.3176.5000108R200 R201 V203R200-I216 CarbonylContact C-O 3.57Å; R200-I216 WeakPolarHBondContact CA-O 3.29Å; R201-I216 PolarHBondContact N-O 3.48Å; R201-I216 PolarHBondContact O-N 2.87Å; V203-I216 HydrophobicContact CB-CD1 4.46Å; V203-I216 HydrophobicContact CG1-CD1 3.75Å; V203-I216 HydrophobicContact CG1-CG1 4.23Å; V203-I216 HydrophobicContact CG2-CD1 3.95Å; V203-I216 HydrophobicContact CG2-CG1 3.94Å
217G95.6Very high91.4Very high45 Ų4588 Ų8846%0.46447%0.47SS..EExtended strand (participates in β ladder)trans78-171.1-173.500000112.4
218R92.7Very high92.1Very high215 Ų21581 Ų8181%0.81145%0.445SS*.  trans-146.4143.8-176.4-65.7-176.4-179.5176.4-0109.1S199 P220S199-R218 WeakPolarHBondContact CB-O 2.99Å; S199-R218 PolarHBondContact O-N 2.83Å; S199-R218 VanDerWaalsContact O-N 3.16Å; R218-P220 WeakPolarHBondContact O-CD 3.17Å
219E90.6Very high92.9Very high38 Ų3878 Ų7818%0.17841%0.412CS..PPolyproline II helixtrans-69.1129.4169-84.6-63.6177.400109.4R200 Y222R200-E219 HydrophobicContact CB-CG 4.39Å; R200-E219 VanDerWaalsContact CZ-CG 3.42Å; R200-E219 VanDerWaalsContact NH2-CG 3.34Å; E219-Y222 WeakPolarHBondContact OE2-CE2 3.37Å; E219-Y222 PolarHBondContact OE2-OH 3.18Å
220P93.9Very high93.5Very high58 Ų5876.5 Ų76.538%0.37740%0.401SS..PPolyproline II helixtrans-62.1162.1165.628-38000111.1S199 R218 Y222S199-P220 VanDerWaalsContact CB-CD 3.49Å; R218-P220 WeakPolarHBondContact O-CD 3.17Å; P220-Y222 HydrophobicContact CG-CE1 3.98Å; P220-Y222 HydrophobicContact CG-CE2 4.07Å; P220-Y222 WeakPolarHBondContact O-CD2 3.44Å; P220-Y222 WeakPolarHBondContact O-CE2 3.3Å
221T94.5Very high94.4Very high140 Ų14075.4 Ų75.486%0.85940%0.404SS*.PPolyproline II helixtrans-74.4130.2163.3-52.20000108.4
222Y94.6Very high95Very high42 Ų4272.4 Ų72.417%0.16539%0.385CS..PPolyproline II helixtrans-101.5140.3175.5-62.5-81.6000109.4P155 I190 E219 P220 E224 V245P155-Y222 HydrophobicContact CB-CD2 3.74Å; P155-Y222 HydrophobicContact CB-CE2 4.07Å; P155-Y222 HydrophobicContact CG-CD2 4.46Å; I190-Y222 HydrophobicContact CD1-CD1 3.53Å; I190-Y222 HydrophobicContact CD1-CE1 4.38Å; I190-Y222 HydrophobicContact CD1-CG 3.9Å; E219-Y222 WeakPolarHBondContact OE2-CE2 3.37Å; E219-Y222 PolarHBondContact OE2-OH 3.18Å; P220-Y222 HydrophobicContact CG-CE1 3.98Å; P220-Y222 HydrophobicContact CG-CE2 4.07Å; P220-Y222 WeakPolarHBondContact O-CD2 3.44Å; P220-Y222 WeakPolarHBondContact O-CE2 3.3Å; Y222-E224 PolarHBondContact O-N 3.22Å; Y222-V245 HydrophobicContact CD1-CG1 4.1Å; Y222-V245 HydrophobicContact CD1-CG2 4.45Å; Y222-V245 HydrophobicContact CD2-CG1 4.15Å; Y222-V245 HydrophobicContact CE1-CB 4.3Å; Y222-V245 HydrophobicContact CE1-CG1 3.9Å; Y222-V245 HydrophobicContact CE1-CG2 3.6Å; Y222-V245 HydrophobicContact CE2-CG1 3.95Å; Y222-V245 HydrophobicContact CG-CG1 4.22Å
223D95.6Very high95.5Very high85 Ų8577.3 Ų77.346%0.45541%0.405SS..PPolyproline II helixtrans-70.4127.1174.3-52.5-48.9000109.4D225 K226D223-D225 WeakPolarHBondContact CB-OD1 3.49Å; D223-D225 PolarHBondContact O-N 2.74Å; D223-K226 HydrophobicContact CB-CD 4.06Å; D223-K226 HydrophobicContact CB-CG 4.24Å; D223-K226 WeakPolarHBondContact O-CB 3.35Å; D223-K226 PolarHBondContact O-N 2.96Å; D223-K226 VanDerWaalsContact O-N 3.16Å; D223-K226 VanDerWaalsContact OD2-CE 3.31Å; D223-K226 WeakPolarHBondContact OD2-CE 3.41Å; D223-K226 IonicContact OD2-NZ 3.2Å; D223-K226 PolarHBondContact OD2-NZ 2.9Å
224E94.7Very high96Very high113 Ų11378.2 Ų78.253%0.52841%0.406SS..G310 helixtrans-64.1-27.6-174.5-74.8-61.6151.200113.3Y222 K226 F227 R247Y222-E224 PolarHBondContact O-N 3.22Å; E224-K226 PolarHBondContact O-N 2.74Å; E224-F227 PolarHBondContact O-N 3.38Å; E224-R247 IonicContact OE2-CZ 2.64Å; E224-R247 VanDerWaalsContact OE2-CZ 3.25Å; E224-R247 IonicContact OE2-NE 3.59Å; E224-R247 PolarHBondContact OE2-NE 3.45Å; E224-R247 IonicContact OE2-NH2 3.92Å; E224-R247 PolarHBondContact OE2-NH2 2.78Å
225D96.8Very high96.2Very high141 Ų14173.8 Ų73.875%0.75438%0.382SS*.G310 helixtrans-69.8-15.6178.567-25.2000113.6D223D223-D225 WeakPolarHBondContact CB-OD1 3.49Å; D223-D225 PolarHBondContact O-N 2.74Å
226K97.6Very high96.5Very high107 Ų10770 Ų7047%0.46537%0.366SS..G310 helixtrans-80.7-16.7175.2-68175.8176.7159.70113.3I190 D223 E224I190-K226 HydrophobicContact CD1-CB 4.28Å; I190-K226 HydrophobicContact CG1-CB 4.17Å; I190-K226 HydrophobicContact CG2-CB 4.1Å; D223-K226 HydrophobicContact CB-CD 4.06Å; D223-K226 HydrophobicContact CB-CG 4.24Å; D223-K226 WeakPolarHBondContact O-CB 3.35Å; D223-K226 PolarHBondContact O-N 2.96Å; D223-K226 VanDerWaalsContact O-N 3.16Å; D223-K226 VanDerWaalsContact OD2-CE 3.31Å; D223-K226 WeakPolarHBondContact OD2-CE 3.41Å; D223-K226 IonicContact OD2-NZ 3.2Å; D223-K226 PolarHBondContact OD2-NZ 2.9Å; E224-K226 PolarHBondContact O-N 2.74Å
227F98.4Very high96.7Very high11 Ų1165.3 Ų65.35%0.04834%0.341CS..  trans-78.1128.7179.6-78.9-81.6000111.3P155 W188 F189 I190 E224 V245 R247P155-F227 HydrophobicContact CB-CZ 3.99Å; P155-F227 HydrophobicContact CG-CE2 4.29Å; P155-F227 HydrophobicContact CG-CZ 3.82Å; W188-F227 HydrophobicContact CB-CB 4.22Å; W188-F227 HydrophobicContact CB-CD1 3.93Å; W188-F227 HydrophobicContact CB-CG 4.46Å; W188-F227 HydrophobicContact CE3-CB 3.89Å; F189-F227 CarbonylContact O-C 3.53Å; F189-F227 WeakPolarHBondContact O-CA 3.49Å; I190-F227 HydrophobicContact CD1-CD2 4.29Å; I190-F227 HydrophobicContact CD1-CE1 4.11Å; I190-F227 HydrophobicContact CD1-CE2 3.83Å; I190-F227 HydrophobicContact CD1-CZ 3.72Å; I190-F227 HydrophobicContact CG1-CD1 3.81Å; I190-F227 HydrophobicContact CG1-CD2 4.17Å; I190-F227 HydrophobicContact CG1-CE1 3.72Å; I190-F227 HydrophobicContact CG1-CE2 4.1Å; I190-F227 HydrophobicContact CG1-CG 4.04Å; I190-F227 HydrophobicContact CG1-CZ 3.87Å; E224-F227 PolarHBondContact O-N 3.38Å; F227-V245 HydrophobicContact CE1-CG1 4.13Å; F227-V245 HydrophobicContact CZ-CG1 3.95Å; F227-R247 HydrophobicContact CD1-CG 3.85Å; F227-R247 HydrophobicContact CE1-CB 4.26Å; F227-R247 HydrophobicContact CE1-CG 3.68Å; F227-R247 HydrophobicContact CG-CG 4.5Å; F227-R247 HydrophobicContact CZ-CG 4.21Å
228V98.6Very high96.8Very high68 Ų6863.1 Ų63.141%0.41232%0.319SS..EExtended strand (participates in β ladder)trans-107.7124.6174.9-178.80000109.3W188 F189 P191W188-V228 VanDerWaalsContact CA-O 3.27Å; W188-V228 WeakPolarHBondContact CA-O 3.39Å; F189-V228 PolarHBondContact N-O 3.07Å; F189-V228 PolarHBondContact O-N 3.25Å; P191-V228 HydrophobicContact CG-CB 4.4Å; P191-V228 HydrophobicContact CG-CG2 3.92Å
229A98.4Very high97.1Very high30 Ų3052.9 Ų52.925%0.24828%0.281CS..EExtended strand (participates in β ladder)trans-68.2138.2175.800000111.3V182 W188 P231V182-A229 HydrophobicContact CG2-CB 4.06Å; W188-A229 HydrophobicContact CD2-CB 3.75Å; W188-A229 HydrophobicContact CE3-CB 3.79Å; W188-A229 VanDerWaalsContact CE3-N 3.25Å; W188-A229 HydrophobicContact CH2-CB 3.71Å; W188-A229 HydrophobicContact CZ2-CB 3.63Å; W188-A229 HydrophobicContact CZ3-CB 3.78Å; A229-P231 WeakPolarHBondContact O-CD 3.3Å
230V98.4Very high97.5Very high9 Ų951.3 Ų51.36%0.05527%0.273CS..EExtended strand (participates in β ladder)trans-125.979.4-178.9-174.80000109.4Y17 V19 C186 L187 F189 V232 V238Y17-V230 HydrophobicContact CD2-CG2 4.3Å; Y17-V230 HydrophobicContact CE2-CG1 4.22Å; Y17-V230 HydrophobicContact CE2-CG2 3.48Å; Y17-V230 VanDerWaalsContact CE2-CG2 3.48Å; V19-V230 HydrophobicContact CG2-CG1 3.22Å; C186-V230 WeakPolarHBondContact CB-O 3.2Å; L187-V230 PolarHBondContact O-N 3.16Å; F189-V230 HydrophobicContact CD2-CB 4.17Å; F189-V230 HydrophobicContact CD2-CG2 3.54Å; F189-V230 HydrophobicContact CE2-CB 4.2Å; F189-V230 HydrophobicContact CE2-CG2 4.03Å; V230-V232 HydrophobicContact CG1-CG2 4.16Å; V230-V238 HydrophobicContact CG1-CG2 4.43Å
231P98.3Very high97.8Very high79 Ų7950.2 Ų50.251%0.51326%0.263SS..  trans-68.2143.5170.230-34000110.2A180 A229A180-P231 CarbonylContact O-C 3.46Å; A180-P231 WeakPolarHBondContact O-CA 3.31Å; A180-P231 WeakPolarHBondContact O-CB 3.25Å; A229-P231 WeakPolarHBondContact O-CD 3.3Å
232V98.3Very high98Very high6 Ų643.6 Ų43.64%0.03622%0.222CC..BIsolated β-bridgetrans-138.4134.1-174.5-175.90000108.8V19 W174 A176 A180 V230 V238V19-V232 HydrophobicContact CG1-CG1 4.22Å; V19-V232 HydrophobicContact CG1-CG2 4.03Å; V19-V232 HydrophobicContact CG2-CG2 4.46Å; W174-V232 HydrophobicContact CZ3-CB 4.3Å; W174-V232 HydrophobicContact CZ3-CG2 4.37Å; A176-V232 HydrophobicContact CB-CB 4.33Å; A176-V232 HydrophobicContact CB-CG1 3.87Å; A180-V232 HydrophobicContact CB-CB 4.4Å; A180-V232 PolarHBondContact N-O 3.37Å; A180-V232 PolarHBondContact O-N 2.92Å; V230-V232 HydrophobicContact CG1-CG2 4.16Å; V232-V238 HydrophobicContact CG2-CG2 3.55Å
233K98.5Very high98.2Very high130 Ų13042.2 Ų42.257%0.56522%0.217SC*.  trans-77.4152.5175.9-68.2-65.2178.9177.50111.3A176 D179 G235 G236A176-K233 WeakPolarHBondContact CB-O 3.47Å; D179-K233 WeakPolarHBondContact OD1-CA 3.09Å; D179-K233 WeakPolarHBondContact OD1-CD 3.32Å; D179-K233 WeakPolarHBondContact OD2-CD 3.36Å; D179-K233 IonicContact OD2-NZ 3.67Å; D179-K233 PolarHBondContact OD2-NZ 3.17Å; K233-G235 PolarHBondContact O-N 3.1Å; K233-G236 WeakPolarHBondContact O-CA 3.25Å; K233-G236 PolarHBondContact O-N 2.88Å
234K98.7Very high98.3Very high54 Ų5438.1 Ų38.124%0.23520%0.196CC..THydrogen-bonded Turntrans-47128.4172.6177.9172.7176.6-170.20110.8P26 C29 D30 L177 D179 G236P26-K234 WeakPolarHBondContact O-CE 3.5Å; P26-K234 PolarHBondContact O-NZ 2.9Å; C29-K234 HydrophobicContact CB-CD 4.21Å; C29-K234 HydrophobicContact CB-CG 3.91Å; D30-K234 IonicContact OD1-NZ 2.71Å; D30-K234 PolarHBondContact OD1-NZ 3Å; D30-K234 IonicContact OD2-NZ 2.61Å; D30-K234 PolarHBondContact OD2-NZ 3.35Å; L177-K234 WeakPolarHBondContact O-CD 3.46Å; L177-K234 WeakPolarHBondContact O-CE 3.41Å; L177-K234 WeakPolarHBondContact O-CG 3.47Å; D179-K234 PolarHBondContact OD1-N 2.88Å; K234-G236 VanDerWaalsContact C-N 3.34Å
235G98.8Very high98.5Very high0 Ų032.9 Ų32.90%017%0.171CC..THydrogen-bonded Turntrans88.8-9.9-176.500000115.1L23 L24 C29 A176 K233L23-G235 WeakPolarHBondContact CB-O 3.43Å; L23-G235 PolarHBondContact N-O 3.25Å; L24-G235 PolarHBondContact N-O 3.42Å; L24-G235 WeakPolarHBondContact O-CA 3.5Å; C29-G235 VanDerWaalsContact SG-CA 3.55Å; A176-G235 PolarHBondContact O-N 3.06Å; K233-G235 PolarHBondContact O-N 3.1Å
236G98.8Very high98.6Very high0 Ų026.7 Ų26.70%014%0.138CC..  trans-73.3157.2170.600000112.7L20 A176 K233 K234L20-G236 CarbonylContact O-C 3.55Å; L20-G236 WeakPolarHBondContact O-CA 3.04Å; A176-G236 PolarHBondContact N-O 2.98Å; K233-G236 WeakPolarHBondContact O-CA 3.25Å; K233-G236 PolarHBondContact O-N 2.88Å; K234-G236 VanDerWaalsContact C-N 3.34Å
237V98.9Very high98.6Very high0 Ų023.4 Ų23.40%012%0.122CC..EExtended strand (participates in β ladder)trans-126.8140.3176.662.60000110.6F3 V19 L20 L23 L173 W174 I175 L239F3-V237 HydrophobicContact CE1-CG1 4.22Å; F3-V237 HydrophobicContact CZ-CG1 4.43Å; V19-V237 WeakPolarHBondContact CA-O 3.43Å; L20-V237 HydrophobicContact CB-CG1 3.8Å; L20-V237 HydrophobicContact CD1-CG1 4.4Å; L20-V237 HydrophobicContact CG-CG1 4.48Å; L20-V237 PolarHBondContact N-O 2.65Å; L20-V237 PolarHBondContact O-N 2.9Å; L23-V237 HydrophobicContact CB-CB 4.07Å; L23-V237 HydrophobicContact CB-CG1 3.8Å; L23-V237 HydrophobicContact CD1-CG1 4.42Å; L23-V237 HydrophobicContact CD2-CB 3.68Å; L23-V237 HydrophobicContact CD2-CG1 3.9Å; L23-V237 HydrophobicContact CD2-CG2 3.96Å; L23-V237 HydrophobicContact CG-CB 4.43Å; L23-V237 HydrophobicContact CG-CG1 4.24Å; L173-V237 HydrophobicContact CB-CG2 4.22Å; L173-V237 HydrophobicContact CD2-CG2 4.48Å; W174-V237 CarbonylContact O-C 3.55Å; W174-V237 VanDerWaalsContact O-CA 3.25Å; W174-V237 WeakPolarHBondContact O-CA 3.4Å; W174-V237 WeakPolarHBondContact O-CG2 3.38Å; I175-V237 HydrophobicContact CG1-CB 4.23Å; I175-V237 HydrophobicContact CG1-CG2 3.82Å; V237-L239 HydrophobicContact CG2-CD2 4.16Å
238V98.9Very high98.4Very high0 Ų023 Ų230%012%0.121CC..EExtended strand (participates in β ladder)trans-103.8123.8165.6-168.20000108.1Y17 V18 V19 W174 F189 V230 V232 I240Y17-V238 HydrophobicContact CD2-CG1 4.28Å; V18-V238 CarbonylContact O-C 3.56Å; V18-V238 WeakPolarHBondContact O-CA 3.5Å; V19-V238 HydrophobicContact CG2-CG2 4.29Å; W174-V238 HydrophobicContact CB-CB 4.28Å; W174-V238 HydrophobicContact CE3-CG2 3.97Å; W174-V238 HydrophobicContact CZ3-CG2 4.49Å; W174-V238 PolarHBondContact N-O 3.07Å; W174-V238 PolarHBondContact O-N 2.87Å; F189-V238 HydrophobicContact CE2-CG1 4.04Å; F189-V238 HydrophobicContact CZ-CG1 3.82Å; V230-V238 HydrophobicContact CG1-CG2 4.43Å; V232-V238 HydrophobicContact CG2-CG2 3.55Å; V238-I240 HydrophobicContact CB-CG1 4.46Å; V238-I240 HydrophobicContact CG1-CG1 4.03Å
239L98.9Very high98.1Very high0 Ų021.5 Ų21.50%012%0.115CC..EExtended strand (participates in β ladder)trans-85.4132.6166.2-50.3-175.2000108.1M4 Y12 Y17 V18 L20 I126 L130 M171 G172 L173 V237M4-L239 HydrophobicContact CE-CD1 3.78Å; M4-L239 HydrophobicContact SD-CD1 3.96Å; Y12-L239 HydrophobicContact CD2-CB 3.86Å; Y12-L239 HydrophobicContact CE2-CB 3.77Å; Y17-L239 WeakPolarHBondContact CA-O 3.33Å; Y17-L239 VanDerWaalsContact CB-O 3.24Å; Y17-L239 WeakPolarHBondContact CB-O 3.14Å; V18-L239 HydrophobicContact CG1-CB 3.91Å; V18-L239 HydrophobicContact CG1-CD1 3.7Å; V18-L239 HydrophobicContact CG1-CG 3.89Å; V18-L239 PolarHBondContact N-O 2.8Å; V18-L239 VanDerWaalsContact N-O 3.15Å; V18-L239 PolarHBondContact O-N 2.83Å; L20-L239 HydrophobicContact CD1-CD1 4.04Å; L20-L239 HydrophobicContact CD1-CG 4.36Å; I126-L239 HydrophobicContact CD1-CD2 4.4Å; I126-L239 HydrophobicContact CG2-CD1 3.63Å; I126-L239 HydrophobicContact CG2-CD2 4.06Å; L130-L239 HydrophobicContact CD1-CD1 4.25Å; M171-L239 HydrophobicContact CE-CB 4.21Å; M171-L239 HydrophobicContact CE-CD1 4.35Å; M171-L239 HydrophobicContact CE-CD2 4.09Å; M171-L239 HydrophobicContact CE-CG 4.46Å; G172-L239 WeakPolarHBondContact O-CA 3.39Å; L173-L239 HydrophobicContact CD2-CD2 3.92Å; L173-L239 HydrophobicContact CG-CD2 3.75Å; V237-L239 HydrophobicContact CG2-CD2 4.16Å
240I98.9Very high97.7Very high4 Ų424.7 Ų24.72%0.02113%0.125CC..EExtended strand (participates in β ladder)trans-125.1119.2-172.3-58178.1000108.4M171 G172 W174 L187 F189 V238 V244M171-I240 CarbonylContact C-O 3.6Å; M171-I240 VanDerWaalsContact CA-O 3.24Å; M171-I240 WeakPolarHBondContact CA-O 3.35Å; G172-I240 PolarHBondContact N-O 3.26Å; G172-I240 PolarHBondContact O-N 2.78Å; W174-I240 HydrophobicContact CB-CD1 3.9Å; W174-I240 HydrophobicContact CG-CD1 4.49Å; L187-I240 HydrophobicContact CD1-CD1 3.84Å; F189-I240 HydrophobicContact CE1-CD1 4.37Å; F189-I240 HydrophobicContact CE1-CG1 4.03Å; F189-I240 HydrophobicContact CE1-CG2 4.12Å; F189-I240 HydrophobicContact CZ-CD1 4.04Å; F189-I240 HydrophobicContact CZ-CG1 3.9Å; V238-I240 HydrophobicContact CB-CG1 4.46Å; V238-I240 HydrophobicContact CG1-CG1 4.03Å; I240-V244 HydrophobicContact CG2-CG1 3.66Å
241H98.9Very high97.4Very high36 Ų3624.3 Ų24.317%0.16712%0.123CC..EExtended strand (participates in β ladder)trans-70.3141173-166.5-75.2000110.2Y12 G16 Q194 E243 V244Y12-H241 HydrophobicContact CE2-CB 4.26Å; Y12-H241 VanDerWaalsContact OH-CA 3.28Å; Y12-H241 WeakPolarHBondContact OH-CA 3.3Å; Y12-H241 PolarHBondContact OH-N 2.88Å; G16-H241 WeakPolarHBondContact O-CB 3.47Å; G16-H241 PolarHBondContact O-N 2.88Å; Q194-H241 HydrophobicContact CB-CB 4.32Å; H241-E243 VanDerWaalsContact CE1-CD 3.42Å; H241-E243 IonicContact CE1-OE1 3.09Å; H241-E243 IonicContact CE1-OE2 2.78Å; H241-E243 PolarHBondContact CE1-OE2 2.91Å; H241-E243 PolarHBondContact ND1-N 2.64Å; H241-E243 IonicContact ND1-OE2 2.77Å; H241-E243 PolarHBondContact ND1-OE2 3.16Å; H241-E243 PolarHBondContact O-N 2.79Å; H241-V244 HydrophobicContact CB-CB 4.29Å; H241-V244 HydrophobicContact CB-CG1 4.47Å; H241-V244 WeakPolarHBondContact O-CG1 3.38Å; H241-V244 PolarHBondContact O-N 3.26Å
242G98.7Very high97Very high0 Ų025.6 Ų25.60%013%0.129CC..THydrogen-bonded Turntrans-52.6-35.9-176.300000114.1Q157 D158 A159 V170Q157-G242 CarbonylContact C-O 3.19Å; D158-G242 PolarHBondContact N-O 3.39Å; A159-G242 WeakPolarHBondContact CB-O 3.32Å; A159-G242 PolarHBondContact N-O 3.47Å; V170-G242 WeakPolarHBondContact O-CA 2.98Å; V170-G242 PolarHBondContact O-N 2.92Å
243E98.8Very high96.8Very high13 Ų1326.5 Ų26.56%0.06114%0.136CC..THydrogen-bonded Turntrans-94.41.1179-56.696.1115.300115.4Q157 A159 L167 G168 Q194 I198 H241 V245Q157-E243 PolarHBondContact NE2-O 3.19Å; A159-E243 HydrophobicContact CB-CG 4.23Å; L167-E243 WeakPolarHBondContact CB-OE1 3.3Å; L167-E243 HydrophobicContact CD1-CG 4.46Å; G168-E243 WeakPolarHBondContact CA-OE1 3.28Å; G168-E243 PolarHBondContact N-OE1 3.13Å; G168-E243 PolarHBondContact N-OE2 3.38Å; Q194-E243 WeakPolarHBondContact CA-O 3.16Å; Q194-E243 HydrophobicContact CB-CB 3.99Å; I198-E243 HydrophobicContact CG2-CG 3.99Å; H241-E243 VanDerWaalsContact CE1-CD 3.42Å; H241-E243 IonicContact CE1-OE1 3.09Å; H241-E243 IonicContact CE1-OE2 2.78Å; H241-E243 PolarHBondContact CE1-OE2 2.91Å; H241-E243 PolarHBondContact ND1-N 2.64Å; H241-E243 IonicContact ND1-OE2 2.77Å; H241-E243 PolarHBondContact ND1-OE2 3.16Å; H241-E243 PolarHBondContact O-N 2.79Å; E243-V245 PolarHBondContact O-N 2.66Å
244V98.8Very high96.6Very high0 Ų029.3 Ų29.30%015%0.151CC..  trans-74.9128.8177.478.40000110.3G16 F189 Q194 I240 H241 H246G16-V244 WeakPolarHBondContact O-CG1 3.5Å; F189-V244 HydrophobicContact CD1-CG1 3.69Å; F189-V244 HydrophobicContact CD1-CG2 4.05Å; F189-V244 HydrophobicContact CE1-CG1 3.77Å; Q194-V244 HydrophobicContact CB-CB 4.28Å; I240-V244 HydrophobicContact CG2-CG1 3.66Å; H241-V244 HydrophobicContact CB-CB 4.29Å; H241-V244 HydrophobicContact CB-CG1 4.47Å; H241-V244 WeakPolarHBondContact O-CG1 3.38Å; H241-V244 PolarHBondContact O-N 3.26Å; V244-H246 PolarHBondContact O-N 3.14Å; V244-H246 PolarHBondContact O-ND1 2.79Å; V244-H246 VanDerWaalsContact O-ND1 3.12Å
245V98.6Very high96.3Very high3 Ų332.1 Ų32.12%0.01817%0.169CC..  trans-72.1123.8176.8178.80000108.9P155 H156 Q157 F189 I190 S193 Y222 F227 E243P155-V245 HydrophobicContact CB-CG1 4.35Å; H156-V245 WeakPolarHBondContact O-CA 3.32Å; Q157-V245 HydrophobicContact CG-CG2 3.78Å; F189-V245 WeakPolarHBondContact CA-O 3.35Å; I190-V245 HydrophobicContact CB-CB 4.35Å; I190-V245 HydrophobicContact CD1-CB 4.21Å; I190-V245 HydrophobicContact CD1-CG1 3.89Å; I190-V245 HydrophobicContact CG1-CB 4.41Å; I190-V245 HydrophobicContact CG1-CG1 4.33Å; I190-V245 PolarHBondContact N-O 2.81Å; S193-V245 PolarHBondContact OG-N 3.02Å; Y222-V245 HydrophobicContact CD1-CG1 4.1Å; Y222-V245 HydrophobicContact CD1-CG2 4.45Å; Y222-V245 HydrophobicContact CD2-CG1 4.15Å; Y222-V245 HydrophobicContact CE1-CB 4.3Å; Y222-V245 HydrophobicContact CE1-CG1 3.9Å; Y222-V245 HydrophobicContact CE1-CG2 3.6Å; Y222-V245 HydrophobicContact CE2-CG1 3.95Å; Y222-V245 HydrophobicContact CG-CG1 4.22Å; F227-V245 HydrophobicContact CE1-CG1 4.13Å; F227-V245 HydrophobicContact CZ-CG1 3.95Å; E243-V245 PolarHBondContact O-N 2.66Å
246H98.6Very high96.2Very high10 Ų1033.2 Ų33.25%0.04618%0.176CC..EExtended strand (participates in β ladder)trans-145159.1179.868.8-78.2000113P155 H156 D158 W188 F189 V244P155-H246 WeakPolarHBondContact CA-O 3.27Å; H156-H246 AromaticContact CD2-CE1 3.97Å; H156-H246 AromaticContact CE1-CD2 3.82Å; H156-H246 AromaticContact CE1-CE1 3.83Å; H156-H246 AromaticContact CE1-NE2 3.39Å; H156-H246 PolarHBondContact CE1-NE2 3.23Å; H156-H246 PolarHBondContact N-O 3Å; H156-H246 VanDerWaalsContact N-O 3.08Å; H156-H246 PolarHBondContact ND1-O 3.18Å; H156-H246 AromaticContact NE2-CE1 3.5Å; H156-H246 PolarHBondContact NE2-CE1 3.21Å; H156-H246 AromaticContact NE2-NE2 3.29Å; H156-H246 PolarHBondContact NE2-NE2 3.47Å; H156-H246 PolarHBondContact O-N 2.58Å; H156-H246 PolarHBondContact O-ND1 3.1Å; D158-H246 IonicContact OD1-CE1 3.25Å; D158-H246 IonicContact OD2-CE1 3.44Å; W188-H246 CarbonylContact O-C 3.07Å; W188-H246 WeakPolarHBondContact O-CA 3.19Å; W188-H246 WeakPolarHBondContact O-CB 3.29Å; F189-H246 HydrophobicContact CD1-CB 3.44Å; F189-H246 VanDerWaalsContact CD1-CB 3.44Å; F189-H246 HydrophobicContact CE1-CB 3.47Å; F189-H246 VanDerWaalsContact CE1-CB 3.47Å; F189-H246 AromaticContact CE1-CG 3.97Å; F189-H246 HydrophobicContact CG-CB 4.08Å; F189-H246 HydrophobicContact CZ-CB 4.16Å; V244-H246 PolarHBondContact O-N 3.14Å; V244-H246 PolarHBondContact O-ND1 2.79Å; V244-H246 VanDerWaalsContact O-ND1 3.12Å
247R97.2Very high96.1Very high38 Ų3833.4 Ų33.414%0.14318%0.177CC..EExtended strand (participates in β ladder)trans-147.9170.4-179.969.9179.5-178.983-6.9111.5V153 P155 L187 W188 E224 F227V153-R247 WeakPolarHBondContact O-CA 3.43Å; V153-R247 WeakPolarHBondContact O-CB 3.31Å; P155-R247 HydrophobicContact CG-CB 4.27Å; L187-R247 CarbonylContact C-O 3.58Å; L187-R247 WeakPolarHBondContact CA-O 3.44Å; W188-R247 HydrophobicContact CB-CG 3.79Å; W188-R247 HydrophobicContact CG-CG 4.5Å; W188-R247 PolarHBondContact N-O 2.94Å; W188-R247 PolarHBondContact O-N 3.29Å; E224-R247 IonicContact OE2-CZ 2.64Å; E224-R247 VanDerWaalsContact OE2-CZ 3.25Å; E224-R247 IonicContact OE2-NE 3.59Å; E224-R247 PolarHBondContact OE2-NE 3.45Å; E224-R247 IonicContact OE2-NH2 3.92Å; E224-R247 PolarHBondContact OE2-NH2 2.78Å; F227-R247 HydrophobicContact CD1-CG 3.85Å; F227-R247 HydrophobicContact CE1-CB 4.26Å; F227-R247 HydrophobicContact CE1-CG 3.68Å; F227-R247 HydrophobicContact CG-CG 4.5Å; F227-R247 HydrophobicContact CZ-CG 4.21Å
248S95.1Very high96.1Very high4 Ų434.5 Ų34.53%0.02818%0.182CC..EExtended strand (participates in β ladder)trans-141.9130.6163.668.70000110.5V153V153-S248 PolarHBondContact N-O 2.76Å; V153-S248 PolarHBondContact O-N 3.35Å
249A92Very high96.1Very high35 Ų3534.5 Ų34.529%0.28918%0.182SC..  trans-67.6157.9175.800000111K145K145-A249 WeakPolarHBondContact CE-O 3.36Å; K145-A249 PolarHBondContact NZ-O 2.75Å
250E90.4Very high96.1Very high98 Ų9834.5 Ų34.546%0.45818%0.182SC..  trans-47.9145170-171.1170.3-159.400112.4G150 T252G150-E250 WeakPolarHBondContact O-CA 3.48Å; G150-E250 WeakPolarHBondContact O-CG 3.32Å; E250-T252 HydrophobicContact CB-CG2 4.48Å; E250-T252 HydrophobicContact CG-CG2 4.33Å; E250-T252 PolarHBondContact O-N 2.9Å
251N92.3Very high96.1Very high0 Ų034.7 Ų34.70%018%0.184CC..BIsolated β-bridgetrans-86.6103.8171.7-1792000108.9K145 Q146 G148 G150 N184 S253 D255K145-N251 HydrophobicContact CD-CB 3.8Å; K145-N251 PolarHBondContact O-ND2 2.97Å; Q146-N251 PolarHBondContact O-ND2 2.86Å; G148-N251 CarbonylContact C-O 3.46Å; G148-N251 VanDerWaalsContact CA-O 3.29Å; G148-N251 WeakPolarHBondContact CA-O 3.48Å; G148-N251 PolarHBondContact N-O 3.19Å; G150-N251 PolarHBondContact O-N 3.2Å; N184-N251 WeakPolarHBondContact CA-OD1 3.25Å; N251-S253 WeakPolarHBondContact OD1-CB 3.48Å; N251-S253 PolarHBondContact OD1-N 3.03Å; N251-S253 PolarHBondContact OD1-OG 3.48Å; N251-D255 PolarHBondContact ND2-O 3.16Å
252T88.6Confident96.1Very high106 Ų10633 Ų3365%0.6518%0.176SC*.  trans-99.34.117955.90000112.8E250E250-T252 HydrophobicContact CB-CG2 4.48Å; E250-T252 HydrophobicContact CG-CG2 4.33Å; E250-T252 PolarHBondContact O-N 2.9Å
253S93.8Very high96.1Very high26 Ų2633.2 Ų33.218%0.18218%0.177CC..SBendtrans-90.1172.7-178.878.80000112.8P147 G148 N184 N251 D255P147-S253 WeakPolarHBondContact CA-O 3.33Å; G148-S253 PolarHBondContact N-O 3.5Å; N184-S253 VanDerWaalsContact CB-OG 3.24Å; N184-S253 WeakPolarHBondContact CB-OG 3.42Å; N251-S253 WeakPolarHBondContact OD1-CB 3.48Å; N251-S253 PolarHBondContact OD1-N 3.03Å; N251-S253 PolarHBondContact OD1-OG 3.48Å; S253-D255 VanDerWaalsContact C-N 3.33Å; S253-D255 PolarHBondContact OG-N 3.48Å; S253-D255 PolarHBondContact OG-O 2.78Å; S253-D255 VanDerWaalsContact OG-O 3.1Å
254E94.2Very high96.1Very high188 Ų18832.7 Ų32.788%0.87917%0.174SC*.SBendtrans-82.3-11.7175.1-60-172.8149.800113.1P147P147-E254 WeakPolarHBondContact CB-O 3.29Å; P147-E254 WeakPolarHBondContact CG-O 3.25Å
255D94.1Very high96.1Very high114 Ų11433.1 Ų33.161%0.6118%0.177SC*.SBendtrans-100142.9-179.3-64-50.9000110.9N251 S253N251-D255 PolarHBondContact ND2-O 3.16Å; S253-D255 VanDerWaalsContact C-N 3.33Å; S253-D255 PolarHBondContact OG-N 3.48Å; S253-D255 PolarHBondContact OG-O 2.78Å; S253-D255 VanDerWaalsContact OG-O 3.1Å
256S95.4Very high96.1Very high22 Ų2233.7 Ų33.715%0.15418%0.179CC..  trans-73.5170.2170.858.30000111.4K145 E178 N184 H258K145-S256 WeakPolarHBondContact O-CA 3.36Å; E178-S256 VanDerWaalsContact CD-OG 3.24Å; E178-S256 PolarHBondContact OE1-OG 2.79Å; E178-S256 VanDerWaalsContact OE1-OG 3.08Å; E178-S256 WeakPolarHBondContact OE2-CB 3.14Å; E178-S256 PolarHBondContact OE2-OG 2.85Å; N184-S256 PolarHBondContact ND2-O 3.28Å; S256-H258 PolarHBondContact OG-CD2 2.84Å
257R97.4Very high96.1Very high4 Ų434.5 Ų34.52%0.01519%0.188CC..  trans-136.276.1173.9-164.4-88.5-62.9131.8-15.3110.7F144 K145 E178 A180 N184 G185F144-R257 CarbonylContact C-O 3.56Å; F144-R257 CarbonylContact O-C 3.48Å; F144-R257 PolarHBondContact O-N 2.84Å; K145-R257 HydrophobicContact CB-CB 3.94Å; K145-R257 VanDerWaalsContact CG-CZ 3.48Å; K145-R257 VanDerWaalsContact CG-NH2 3.3Å; K145-R257 PolarHBondContact O-N 3.02Å; K145-R257 VanDerWaalsContact O-N 3.1Å; E178-R257 PolarHBondContact OE2-N 3.46Å; A180-R257 HydrophobicContact CB-CG 3.94Å; N184-R257 HydrophobicContact CB-CB 4.29Å; N184-R257 VanDerWaalsContact O-CB 3.31Å; N184-R257 WeakPolarHBondContact O-CB 3.18Å; G185-R257 PolarHBondContact O-NE 3Å; G185-R257 PolarHBondContact O-NH2 2.9Å
258H98.5Very high96.2Very high24 Ų2436.4 Ų36.411%0.11120%0.2CC..  trans-75.3135.2-176.7-73.1-148.5000112K33 Y142 I143 F144 L177 E178 S256K33-H258 HydrophobicContact CG-CB 4.46Å; Y142-H258 HydrophobicContact CE1-CB 4Å; Y142-H258 AromaticContact CE1-CG 3.81Å; Y142-H258 AromaticContact CE1-ND1 3.44Å; Y142-H258 WeakPolarHBondContact CE1-ND1 3.46Å; Y142-H258 AromaticContact CZ-CG 3.99Å; Y142-H258 AromaticContact CZ-ND1 3.51Å; Y142-H258 WeakPolarHBondContact OH-CB 3.25Å; Y142-H258 PolarHBondContact OH-ND1 3.34Å; I143-H258 CarbonylContact O-C 3.14Å; I143-H258 WeakPolarHBondContact O-CA 3.42Å; F144-H258 AromaticContact CD1-CE1 3.49Å; F144-H258 VanDerWaalsContact CD1-CE1 3.49Å; F144-H258 WeakPolarHBondContact CD1-CE1 3.4Å; F144-H258 AromaticContact CD1-NE2 3.66Å; F144-H258 PolarHBondContact O-CD2 3Å; F144-H258 PolarHBondContact O-N 3.35Å; L177-H258 WeakPolarHBondContact CA-O 3.43Å; L177-H258 HydrophobicContact CB-CB 4.16Å; L177-H258 WeakPolarHBondContact CB-O 3.38Å; L177-H258 PolarHBondContact N-O 2.84Å; E178-H258 HydrophobicContact CG-CB 4.12Å; E178-H258 PolarHBondContact N-O 2.97Å; E178-H258 WeakPolarHBondContact OE2-CB 3.16Å; E178-H258 IonicContact OE2-CD2 3.52Å; E178-H258 PolarHBondContact OE2-CD2 3.08Å; E178-H258 IonicContact OE2-CG 2.92Å; E178-H258 PolarHBondContact OE2-N 2.92Å; S256-H258 PolarHBondContact OG-CD2 2.84Å
259V98.6Very high96.3Very high0 Ų042.1 Ų42.10%023%0.231CC..EExtended strand (participates in β ladder)trans-138.3139.3-1771720000109.7Y142 I143 W174 I175Y142-V259 CarbonylContact C-O 3.58Å; Y142-V259 VanDerWaalsContact CA-O 3.32Å; Y142-V259 WeakPolarHBondContact CA-O 3.4Å; I143-V259 HydrophobicContact CB-CB 4.33Å; I143-V259 PolarHBondContact N-O 3.38Å; I143-V259 PolarHBondContact O-N 3.25Å; W174-V259 HydrophobicContact CD2-CG1 3.67Å; W174-V259 HydrophobicContact CD2-CG2 4.1Å; W174-V259 HydrophobicContact CE3-CG1 4.4Å; W174-V259 HydrophobicContact CE3-CG2 4.44Å; W174-V259 HydrophobicContact CG-CG1 3.78Å; W174-V259 HydrophobicContact CH2-CG2 3.49Å; W174-V259 VanDerWaalsContact CH2-CG2 3.49Å; W174-V259 HydrophobicContact CZ2-CB 4.23Å; W174-V259 HydrophobicContact CZ2-CG1 4.17Å; W174-V259 HydrophobicContact CZ2-CG2 3.08Å; W174-V259 HydrophobicContact CZ3-CG2 4.17Å; I175-V259 WeakPolarHBondContact O-CA 3.27Å
260Y98.9Very high96.6Very high0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-103.4127.8159.3176.2-126000109.5L107 H108 Y114 V117 T118 M141 I175 F262L107-Y260 HydrophobicContact CB-CE2 4.31Å; H108-Y260 WeakPolarHBondContact CB-OH 3.37Å; Y114-Y260 HydrophobicContact CD1-CD1 4.02Å; Y114-Y260 AromaticContact CD1-CD2 3.4Å; Y114-Y260 HydrophobicContact CD1-CD2 3.4Å; Y114-Y260 HydrophobicContact CD1-CE1 4.12Å; Y114-Y260 AromaticContact CD1-CE2 3.5Å; Y114-Y260 HydrophobicContact CD1-CE2 3.5Å; Y114-Y260 AromaticContact CD1-CG 3.68Å; Y114-Y260 HydrophobicContact CD1-CG 3.68Å; Y114-Y260 AromaticContact CD1-CZ 3.89Å; Y114-Y260 AromaticContact CE1-CD2 3.79Å; Y114-Y260 HydrophobicContact CE1-CD2 3.79Å; Y114-Y260 HydrophobicContact CE1-CE2 4.31Å; Y114-Y260 HydrophobicContact CE1-CG 4.01Å; Y114-Y260 HydrophobicContact CG-CD2 4.45Å; Y114-Y260 HydrophobicContact CG-CE2 4.17Å; V117-Y260 HydrophobicContact CG1-CD1 4.35Å; V117-Y260 HydrophobicContact CG1-CE1 4.34Å; T118-Y260 PolarHBondContact OG1-OH 3.08Å; M141-Y260 WeakPolarHBondContact O-CD2 3.38Å; I175-Y260 WeakPolarHBondContact CA-O 3.05Å; I175-Y260 WeakPolarHBondContact CB-O 3.18Å; I175-Y260 HydrophobicContact CD1-CD1 4.06Å; I175-Y260 PolarHBondContact N-O 2.78Å; I175-Y260 PolarHBondContact O-N 3.48Å; Y260-F262 HydrophobicContact CD1-CD1 4.23Å; Y260-F262 HydrophobicContact CD1-CE1 4.49Å; Y260-F262 AromaticContact CE1-CD1 3.53Å; Y260-F262 HydrophobicContact CE1-CD1 3.53Å; Y260-F262 AromaticContact CE1-CE1 3.89Å; Y260-F262 HydrophobicContact CE1-CE1 3.89Å; Y260-F262 AromaticContact CZ-CD1 3.83Å
261T98.9Very high97Very high7 Ų741.9 Ų41.94%0.04323%0.228CC..EExtended strand (participates in β ladder)trans-130.8146.3179.3-172.30000111.2S140 M141 I143 L173S140-T261 CarbonylContact C-O 3.5Å; S140-T261 VanDerWaalsContact CA-O 3.22Å; S140-T261 WeakPolarHBondContact CA-O 3.46Å; M141-T261 HydrophobicContact CB-CG2 3.84Å; M141-T261 HydrophobicContact CE-CG2 3.99Å; M141-T261 PolarHBondContact N-O 3.09Å; M141-T261 PolarHBondContact O-N 3.2Å; I143-T261 HydrophobicContact CD1-CG2 4.02Å; I143-T261 HydrophobicContact CG1-CG2 4.43Å; L173-T261 CarbonylContact O-C 3.6Å; L173-T261 WeakPolarHBondContact O-CA 3.29Å; L173-T261 PolarHBondContact O-OG1 3.46Å; L173-T261 VanDerWaalsContact O-OG1 3.08Å
262F98.9Very high97.3Very high0 Ų043.1 Ų43.10%023%0.232CC..EExtended strand (participates in β ladder)trans-148.2158170.859.9-87000110.9T118 V123 Q139 L173 I175 Y260 I264T118-F262 HydrophobicContact CG2-CD1 4.3Å; T118-F262 HydrophobicContact CG2-CD2 3.77Å; T118-F262 HydrophobicContact CG2-CE1 4.27Å; T118-F262 HydrophobicContact CG2-CE2 3.73Å; T118-F262 HydrophobicContact CG2-CG 4.05Å; T118-F262 HydrophobicContact CG2-CZ 3.99Å; V123-F262 HydrophobicContact CG1-CE2 4.01Å; V123-F262 HydrophobicContact CG1-CZ 3.78Å; V123-F262 HydrophobicContact CG2-CZ 4.09Å; Q139-F262 CarbonylContact O-C 3.55Å; Q139-F262 WeakPolarHBondContact O-CA 3.16Å; Q139-F262 VanDerWaalsContact O-CB 3.24Å; Q139-F262 WeakPolarHBondContact O-CB 3.28Å; L173-F262 HydrophobicContact CB-CD1 4.37Å; L173-F262 HydrophobicContact CB-CD2 4.48Å; L173-F262 HydrophobicContact CB-CE1 3.98Å; L173-F262 HydrophobicContact CB-CE2 4.1Å; L173-F262 HydrophobicContact CB-CZ 3.84Å; L173-F262 HydrophobicContact CD1-CD2 4.28Å; L173-F262 HydrophobicContact CD1-CE2 3.75Å; L173-F262 HydrophobicContact CD1-CZ 4.19Å; L173-F262 HydrophobicContact CD2-CE2 4.09Å; L173-F262 HydrophobicContact CD2-CZ 3.72Å; L173-F262 HydrophobicContact CG-CE2 4.19Å; L173-F262 HydrophobicContact CG-CZ 4.12Å; L173-F262 PolarHBondContact N-O 2.87Å; L173-F262 PolarHBondContact O-N 2.97Å; I175-F262 HydrophobicContact CD1-CE1 3.85Å; Y260-F262 HydrophobicContact CD1-CD1 4.23Å; Y260-F262 HydrophobicContact CD1-CE1 4.49Å; Y260-F262 AromaticContact CE1-CD1 3.53Å; Y260-F262 HydrophobicContact CE1-CD1 3.53Å; Y260-F262 AromaticContact CE1-CE1 3.89Å; Y260-F262 HydrophobicContact CE1-CE1 3.89Å; Y260-F262 AromaticContact CZ-CD1 3.83Å; F262-I264 HydrophobicContact CD2-CG1 4.18Å; F262-I264 HydrophobicContact CE2-CD1 4.03Å; F262-I264 HydrophobicContact CE2-CG1 4.09Å
263H98.9Very high97.8Very high5 Ų538.5 Ų38.52%0.02320%0.204CC..EExtended strand (participates in β ladder)trans-114.1136.3-178.7-67.687.9000110.4L138 Q139 D158 L162 M171L138-H263 HydrophobicContact CB-CB 4.25Å; L138-H263 HydrophobicContact CD1-CB 4.29Å; L138-H263 PolarHBondContact N-O 3.43Å; Q139-H263 HydrophobicContact CG-CB 4.07Å; Q139-H263 PolarHBondContact NE2-CE1 2.67Å; Q139-H263 PolarHBondContact NE2-ND1 2.81Å; Q139-H263 PolarHBondContact O-N 3.03Å; D158-H263 IonicContact OD1-NE2 2.83Å; D158-H263 IonicContact OD2-CD2 3.67Å; D158-H263 IonicContact OD2-CE1 3.2Å; D158-H263 IonicContact OD2-NE2 3.9Å; D158-H263 PolarHBondContact OD2-NE2 3.11Å; L162-H263 HydrophobicContact CD1-CB 3.77Å; L162-H263 VanDerWaalsContact CD1-CG 3.49Å; M171-H263 CarbonylContact O-C 3.6Å; M171-H263 VanDerWaalsContact O-CA 3.29Å; M171-H263 WeakPolarHBondContact O-CA 3.45Å
264I98.9Very high98Very high2 Ų241.6 Ų41.61%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-109.1141.9173.9-60.8164000108.1L132 P135 V136 V170 M171 L173 F262 L289L132-I264 HydrophobicContact CD2-CG2 3.77Å; P135-I264 HydrophobicContact CB-CG2 3.52Å; V136-I264 CarbonylContact O-C 3.29Å; V136-I264 VanDerWaalsContact O-CA 3.29Å; V136-I264 WeakPolarHBondContact O-CA 3.43Å; V170-I264 WeakPolarHBondContact CA-O 3.47Å; M171-I264 HydrophobicContact CG-CB 4.03Å; M171-I264 PolarHBondContact N-O 3.41Å; M171-I264 PolarHBondContact O-N 2.9Å; L173-I264 HydrophobicContact CD1-CD1 3.41Å; L173-I264 VanDerWaalsContact CD1-CD1 3.41Å; L173-I264 HydrophobicContact CD1-CG1 4.06Å; F262-I264 HydrophobicContact CD2-CG1 4.18Å; F262-I264 HydrophobicContact CE2-CD1 4.03Å; F262-I264 HydrophobicContact CE2-CG1 4.09Å; I264-L289 HydrophobicContact CD1-CD2 3.7Å; I264-L289 HydrophobicContact CG1-CD2 4.42Å
265M98.8Very high98.1Very high10 Ų1036.2 Ų36.25%0.04920%0.201CC..EExtended strand (participates in β ladder)trans-114.3136.2165.6-179.8-176.767.700109.9P135 V136 L138 T164 R169 V170 A267 T270 W272 F286P135-M265 CarbonylContact C-O 3.54Å; P135-M265 VanDerWaalsContact CA-O 3.3Å; P135-M265 WeakPolarHBondContact CA-O 2.93Å; V136-M265 HydrophobicContact CG2-CB 4.03Å; V136-M265 HydrophobicContact CG2-CE 3.53Å; V136-M265 PolarHBondContact N-O 2.83Å; V136-M265 PolarHBondContact O-N 3.32Å; L138-M265 HydrophobicContact CD1-CB 3.89Å; L138-M265 HydrophobicContact CD2-CB 3.66Å; L138-M265 HydrophobicContact CD2-CE 4.18Å; L138-M265 HydrophobicContact CD2-CG 4.48Å; L138-M265 HydrophobicContact CD2-SD 4.12Å; L138-M265 HydrophobicContact CG-CB 3.75Å; T164-M265 HydrophobicContact CG2-CG 4.21Å; T164-M265 HydrophobicContact CG2-SD 3.71Å; R169-M265 CarbonylContact O-C 3.5Å; R169-M265 VanDerWaalsContact O-CA 3.25Å; R169-M265 WeakPolarHBondContact O-CA 3.44Å; V170-M265 HydrophobicContact CG2-CB 4.42Å; V170-M265 HydrophobicContact CG2-CG 4.41Å; M265-A267 HydrophobicContact CE-CB 4.13Å; M265-A267 PolarHBondContact O-N 2.82Å; M265-T270 HydrophobicContact CG-CG2 4.09Å; M265-T270 HydrophobicContact SD-CG2 3.91Å; M265-W272 HydrophobicContact SD-CB 4.35Å; M265-W272 HydrophobicContact SD-CD2 4.49Å; M265-W272 HydrophobicContact SD-CE3 3.67Å; M265-W272 HydrophobicContact SD-CZ3 4.4Å; M265-F286 HydrophobicContact CE-CD2 4.36Å
266E98.8Very high98.3Very high14 Ų1430.8 Ų30.87%0.06517%0.172CC..EExtended strand (participates in β ladder)trans-70.1112.4159.4172.554.9-107.700108.7L132 V133 N134 R169 L268 T270L132-E266 WeakPolarHBondContact CA-OE2 3.26Å; L132-E266 WeakPolarHBondContact CB-OE2 3.4Å; V133-E266 PolarHBondContact N-OE2 3.32Å; N134-E266 WeakPolarHBondContact CA-OE1 3.19Å; N134-E266 WeakPolarHBondContact CB-OE1 3.27Å; N134-E266 PolarHBondContact N-OE1 2.84Å; N134-E266 PolarHBondContact N-OE2 3.49Å; R169-E266 PolarHBondContact O-N 2.87Å; E266-L268 HydrophobicContact CG-CB 4.46Å; E266-L268 WeakPolarHBondContact OE1-CB 3.36Å; E266-L268 PolarHBondContact OE1-N 2.68Å; E266-T270 WeakPolarHBondContact O-CB 3.43Å; E266-T270 WeakPolarHBondContact O-CG2 3.21Å; E266-T270 PolarHBondContact O-OG1 3.39Å
267A98.6Very high98.3Very high28 Ų2830.1 Ų30.123%0.23117%0.166CC..  trans-85.3-17.7-177.100000113.6N134 V136 M265 D269N134-A267 HydrophobicContact CB-CB 4.47Å; N134-A267 VanDerWaalsContact O-CB 3.26Å; N134-A267 WeakPolarHBondContact O-CB 3.37Å; N134-A267 PolarHBondContact O-N 2.71Å; V136-A267 HydrophobicContact CG1-CB 3.94Å; V136-A267 HydrophobicContact CG2-CB 4.1Å; M265-A267 HydrophobicContact CE-CB 4.13Å; M265-A267 PolarHBondContact O-N 2.82Å; A267-D269 PolarHBondContact O-N 2.92Å
268L98.4Very high98.3Very high77 Ų7730 Ų3040%0.40317%0.166SC..THydrogen-bonded Turntrans-66.9129.6174.6-175.865.2000109.8V133 N134 E266 T270V133-L268 HydrophobicContact CB-CD2 3.95Å; V133-L268 HydrophobicContact CG1-CD2 3.89Å; V133-L268 HydrophobicContact CG2-CD2 4.26Å; N134-L268 HydrophobicContact CB-CB 4.21Å; E266-L268 HydrophobicContact CG-CB 4.46Å; E266-L268 WeakPolarHBondContact OE1-CB 3.36Å; E266-L268 PolarHBondContact OE1-N 2.68Å; L268-T270 PolarHBondContact O-N 3.2Å; L268-T270 VanDerWaalsContact O-N 3.1Å; L268-T270 PolarHBondContact O-OG1 3.17Å
269D98.1Very high98.3Very high125 Ų12531.1 Ų31.167%0.66817%0.171SC*.THydrogen-bonded Turntrans49.537.9177.6-56.3-35.8000113.6A267A267-D269 PolarHBondContact O-N 2.92Å
270T98.8Very high98.2Very high23 Ų2333.8 Ų33.814%0.14119%0.188CC..  trans-132.1126.3-176.9-61.50000110.3T164 R169 M265 E266 L268T164-T270 HydrophobicContact CG2-CG2 3.77Å; R169-T270 HydrophobicContact CB-CG2 3.63Å; R169-T270 VanDerWaalsContact CD-OG1 3.31Å; R169-T270 WeakPolarHBondContact CD-OG1 3.38Å; R169-T270 HydrophobicContact CG-CG2 3.75Å; R169-T270 VanDerWaalsContact CG-OG1 3.3Å; R169-T270 WeakPolarHBondContact CG-OG1 3.38Å; R169-T270 PolarHBondContact NE-OG1 2.76Å; M265-T270 HydrophobicContact CG-CG2 4.09Å; M265-T270 HydrophobicContact SD-CG2 3.91Å; E266-T270 WeakPolarHBondContact O-CB 3.43Å; E266-T270 WeakPolarHBondContact O-CG2 3.21Å; E266-T270 PolarHBondContact O-OG1 3.39Å; L268-T270 PolarHBondContact O-N 3.2Å; L268-T270 VanDerWaalsContact O-N 3.1Å; L268-T270 PolarHBondContact O-OG1 3.17Å
271L98.7Very high98.2Very high104 Ų10435.9 Ų35.955%0.54520%0.202SC..EExtended strand (participates in β ladder)trans-94.4116174.2-178.964.4000109.6T164 E165T164-L271 CarbonylContact C-O 3.59Å; T164-L271 VanDerWaalsContact CA-O 3.25Å; T164-L271 WeakPolarHBondContact CA-O 3.24Å; E165-L271 HydrophobicContact CB-CB 4.32Å; E165-L271 PolarHBondContact N-O 2.72Å; E165-L271 PolarHBondContact O-N 3.33Å
272W98.8Very high98.1Very high27 Ų2744.6 Ų44.610%0.10224%0.242CC..EExtended strand (participates in β ladder)trans-71.6126.5167.3-177.4-106.1000109.6L138 L162 T164 M265 N276 L278 F286L138-W272 HydrophobicContact CD1-CE3 4.43Å; L138-W272 HydrophobicContact CD1-CH2 3.8Å; L138-W272 HydrophobicContact CD1-CZ3 3.5Å; L138-W272 VanDerWaalsContact CD1-CZ3 3.5Å; L138-W272 HydrophobicContact CD2-CD2 4.49Å; L138-W272 HydrophobicContact CD2-CE3 3.94Å; L138-W272 HydrophobicContact CD2-CH2 4.04Å; L138-W272 HydrophobicContact CD2-CZ3 3.71Å; L138-W272 HydrophobicContact CG-CH2 4.43Å; L138-W272 HydrophobicContact CG-CZ3 4.22Å; L162-W272 HydrophobicContact CB-CH2 3.7Å; L162-W272 HydrophobicContact CB-CZ3 4.01Å; L162-W272 HydrophobicContact CD2-CH2 3.74Å; L162-W272 HydrophobicContact CD2-CZ2 4.44Å; L162-W272 HydrophobicContact CG-CH2 4.29Å; T164-W272 HydrophobicContact CG2-CE3 3.77Å; T164-W272 HydrophobicContact CG2-CZ3 4.13Å; M265-W272 HydrophobicContact SD-CB 4.35Å; M265-W272 HydrophobicContact SD-CD2 4.49Å; M265-W272 HydrophobicContact SD-CE3 3.67Å; M265-W272 HydrophobicContact SD-CZ3 4.4Å; W272-N276 WeakPolarHBondContact CH2-ND2 3.38Å; W272-N276 HydrophobicContact CZ2-CB 3.76Å; W272-N276 WeakPolarHBondContact CZ2-ND2 3.32Å; W272-L278 HydrophobicContact CZ2-CB 4.27Å; W272-L278 HydrophobicContact CZ2-CD2 4.44Å; W272-L278 HydrophobicContact CZ2-CG 4.45Å; W272-L278 WeakPolarHBondContact CZ2-O 3.19Å; W272-L278 PolarHBondContact NE1-O 3.24Å; W272-F286 AromaticContact CD2-CE2 3.87Å; W272-F286 HydrophobicContact CD2-CE2 3.87Å; W272-F286 HydrophobicContact CD2-CZ 4.26Å; W272-F286 AromaticContact CE2-CE2 3.86Å; W272-F286 AromaticContact CE2-CZ 3.78Å; W272-F286 HydrophobicContact CE3-CE2 4.49Å; W272-F286 AromaticContact CG-CE2 3.95Å; W272-F286 HydrophobicContact CG-CE2 3.95Å; W272-F286 HydrophobicContact CZ2-CE2 4.45Å; W272-F286 HydrophobicContact CZ2-CZ 4.02Å; W272-F286 AromaticContact NE1-CE2 3.95Å; W272-F286 AromaticContact NE1-CZ 3.91Å
273S98.5Very high98Very high8 Ų851.3 Ų51.36%0.05627%0.273CS..  trans-66.2128.8-176.5-174.80000111.7Y163 R201 D275 N276 Q279Y163-S273 WeakPolarHBondContact O-CB 3.41Å; Y163-S273 PolarHBondContact O-N 2.97Å; R201-S273 PolarHBondContact NH2-OG 2.63Å; S273-D275 PolarHBondContact O-N 3.21Å; S273-D275 PolarHBondContact OG-N 2.88Å; S273-N276 PolarHBondContact O-N 2.93Å; S273-Q279 PolarHBondContact O-NE2 2.88Å
274P97.4Very high98Very high92 Ų9252.3 Ų52.360%0.59728%0.278SS*.THydrogen-bonded Turntrans-67-14.9175.629.6-35.9000112.5Q279P274-Q279 PolarHBondContact O-NE2 3.39Å
275D96.9Very high98Very high74 Ų7456 Ų5640%0.39630%0.303SS..THydrogen-bonded Turntrans-86.3-11.9179.3-55.6-35.2000112.7R201 V203 R204 S273 W277R201-D275 IonicContact NH2-OD2 2.68Å; V203-D275 CarbonylContact C-O 3.45Å; V203-D275 VanDerWaalsContact CA-O 3.28Å; V203-D275 WeakPolarHBondContact CA-O 3.15Å; V203-D275 HydrophobicContact CB-CB 4.08Å; V203-D275 HydrophobicContact CG1-CB 3.91Å; R204-D275 PolarHBondContact N-O 3.48Å; S273-D275 PolarHBondContact O-N 3.21Å; S273-D275 PolarHBondContact OG-N 2.88Å; D275-W277 PolarHBondContact O-N 3.42Å
276N98.2Very high97.9Very high0 Ų057.2 Ų57.20%031%0.308CS..SBendtrans-59.5142.9179.7-72.3-22.5000110.8Y163 R204 W272 S273 L278 Q279Y163-N276 WeakPolarHBondContact CB-OD1 3.44Å; Y163-N276 PolarHBondContact N-ND2 3.49Å; Y163-N276 PolarHBondContact N-OD1 2.91Å; Y163-N276 VanDerWaalsContact N-OD1 3.1Å; Y163-N276 PolarHBondContact O-ND2 2.93Å; R204-N276 WeakPolarHBondContact CD-O 3.49Å; R204-N276 PolarHBondContact NE-O 3.06Å; W272-N276 WeakPolarHBondContact CH2-ND2 3.38Å; W272-N276 HydrophobicContact CZ2-CB 3.76Å; W272-N276 WeakPolarHBondContact CZ2-ND2 3.32Å; S273-N276 PolarHBondContact O-N 2.93Å; N276-L278 PolarHBondContact O-N 2.84Å; N276-Q279 PolarHBondContact O-NE2 3.36Å
277W95.4Very high97.9Very high8 Ų857.9 Ų57.93%0.0331%0.313CS..SBendtrans-57.8-31.9176.282.5-92.4000111.6F70 I71 H105 M202 R204 T213 D275F70-W277 HydrophobicContact CD1-CE3 4.27Å; F70-W277 HydrophobicContact CD2-CZ3 4.47Å; F70-W277 HydrophobicContact CE1-CB 4.35Å; F70-W277 AromaticContact CE1-CD2 3.74Å; F70-W277 HydrophobicContact CE1-CD2 3.74Å; F70-W277 AromaticContact CE1-CE3 3.58Å; F70-W277 HydrophobicContact CE1-CE3 3.58Å; F70-W277 HydrophobicContact CE1-CG 4.08Å; F70-W277 HydrophobicContact CE1-CZ3 4.22Å; F70-W277 HydrophobicContact CE2-CD2 4.35Å; F70-W277 HydrophobicContact CE2-CE3 4.11Å; F70-W277 HydrophobicContact CE2-CH2 4.05Å; F70-W277 HydrophobicContact CE2-CZ2 4.27Å; F70-W277 AromaticContact CE2-CZ3 3.96Å; F70-W277 HydrophobicContact CE2-CZ3 3.96Å; F70-W277 AromaticContact CZ-CD2 3.46Å; F70-W277 HydrophobicContact CZ-CD2 3.46Å; F70-W277 VanDerWaalsContact CZ-CD2 3.46Å; F70-W277 AromaticContact CZ-CE2 3.75Å; F70-W277 AromaticContact CZ-CE3 3.49Å; F70-W277 HydrophobicContact CZ-CE3 3.49Å; F70-W277 VanDerWaalsContact CZ-CE3 3.49Å; F70-W277 HydrophobicContact CZ-CG 4.05Å; F70-W277 HydrophobicContact CZ-CH2 4.11Å; F70-W277 HydrophobicContact CZ-CZ2 4.07Å; F70-W277 AromaticContact CZ-CZ3 3.83Å; F70-W277 HydrophobicContact CZ-CZ3 3.83Å; I71-W277 HydrophobicContact CD1-CB 3.77Å; I71-W277 HydrophobicContact CD1-CE3 4.33Å; I71-W277 WeakPolarHBondContact CD1-O 3.28Å; H105-W277 HydrophobicContact CB-CH2 4.41Å; H105-W277 AromaticContact CD2-CH2 3.83Å; H105-W277 AromaticContact CE1-CH2 3.57Å; H105-W277 AromaticContact CG-CH2 3.69Å; H105-W277 AromaticContact ND1-CH2 3.53Å; H105-W277 AromaticContact NE2-CH2 3.79Å; M202-W277 HydrophobicContact SD-CB 4.16Å; M202-W277 HydrophobicContact SD-CG 4.28Å; R204-W277 PolarHBondContact NE-O 3.34Å; R204-W277 PolarHBondContact NH2-O 3.43Å; T213-W277 HydrophobicContact CG2-CB 4.21Å; D275-W277 PolarHBondContact O-N 3.42Å
278L97.2Very high97.9Very high3 Ų360.2 Ų60.22%0.01633%0.326CS..  trans-94.9124.3175.2177.465.3000109.6L138 Q139 L162 W272 N276 F286L138-L278 HydrophobicContact CB-CD2 4.47Å; L138-L278 WeakPolarHBondContact O-CD2 3.39Å; Q139-L278 HydrophobicContact CB-CD2 3.86Å; Q139-L278 HydrophobicContact CG-CD2 4.37Å; L162-L278 HydrophobicContact CD2-CD2 4.21Å; W272-L278 HydrophobicContact CZ2-CB 4.27Å; W272-L278 HydrophobicContact CZ2-CD2 4.44Å; W272-L278 HydrophobicContact CZ2-CG 4.45Å; W272-L278 WeakPolarHBondContact CZ2-O 3.19Å; W272-L278 PolarHBondContact NE1-O 3.24Å; N276-L278 PolarHBondContact O-N 2.84Å; L278-F286 HydrophobicContact CD2-CE1 4.18Å; L278-F286 HydrophobicContact CD2-CZ 4.43Å; L278-F286 HydrophobicContact CG-CE1 4.27Å; L278-F286 HydrophobicContact CG-CZ 4.36Å
279Q98Very high97.9Very high46 Ų4656.6 Ų56.622%0.21531%0.307CS..  trans-126.9139.7172.4-64.9-60.6-42.100108.4S273 P274 N276S273-Q279 PolarHBondContact O-NE2 2.88Å; P274-Q279 PolarHBondContact O-NE2 3.39Å; N276-Q279 PolarHBondContact O-NE2 3.36Å
280P97.6Very high98Very high56 Ų5653.2 Ų53.236%0.36429%0.285SS..  trans-62.6145.217327.5-32.1000109.8F286P280-F286 HydrophobicContact CB-CD1 4.28Å; P280-F286 HydrophobicContact CB-CD2 4.21Å; P280-F286 HydrophobicContact CB-CE1 4.22Å; P280-F286 HydrophobicContact CB-CE2 4.16Å; P280-F286 HydrophobicContact CB-CG 4.27Å; P280-F286 HydrophobicContact CB-CZ 4.17Å; P280-F286 HydrophobicContact CG-CD2 4.24Å; P280-F286 HydrophobicContact CG-CE2 3.93Å; P280-F286 HydrophobicContact CG-CZ 4.2Å
281T98.1Very high97.7Very high45 Ų4555.9 Ų55.928%0.27630%0.301SS..  trans-101.6169.117662.60000110.4D75 E283 L284 P285D75-T281 HydrophobicContact CB-CG2 4.25Å; D75-T281 WeakPolarHBondContact OD2-CG2 3.48Å; D75-T281 PolarHBondContact OD2-OG1 3.39Å; T281-E283 WeakPolarHBondContact CB-OE2 3.5Å; T281-E283 PolarHBondContact O-N 3.04Å; T281-E283 PolarHBondContact OG1-OE2 2.65Å; T281-L284 PolarHBondContact N-O 2.94Å; T281-L284 CarbonylContact O-C 3.26Å; T281-L284 PolarHBondContact O-N 2.97Å; T281-L284 PolarHBondContact OG1-N 3.25Å; T281-P285 VanDerWaalsContact O-N 3.08Å
282E97Very high96.5Very high189 Ų18964.2 Ų64.288%0.88333%0.333SS*.SBendtrans-65.1-34.1172.4-67.1-174.9178.300110.8
283E97.4Very high96.3Very high142 Ų14266.1 Ų66.166%0.66435%0.345SS*.SBendtrans-72.5-34.9178.5-6282.6175.800112.9T281T281-E283 WeakPolarHBondContact CB-OE2 3.5Å; T281-E283 PolarHBondContact O-N 3.04Å; T281-E283 PolarHBondContact OG1-OE2 2.65Å
284L98.2Very high96.2Very high26 Ų2669.1 Ų69.114%0.13636%0.36CS..  trans-137.280.8177.1-170.166.7000110.3D75 A106 A109 Y110 T281D75-L284 HydrophobicContact CB-CB 3.69Å; D75-L284 HydrophobicContact CB-CD2 3.85Å; D75-L284 HydrophobicContact CB-CG 4.4Å; A106-L284 HydrophobicContact CB-CD2 3.86Å; A109-L284 HydrophobicContact CB-CD1 3.74Å; A109-L284 HydrophobicContact CB-CD2 3.81Å; A109-L284 HydrophobicContact CB-CG 4.46Å; Y110-L284 HydrophobicContact CE2-CD2 4.03Å; T281-L284 PolarHBondContact N-O 2.94Å; T281-L284 CarbonylContact O-C 3.26Å; T281-L284 PolarHBondContact O-N 2.97Å; T281-L284 PolarHBondContact OG1-N 3.25Å
285P98.2Very high96.2Very high80 Ų8067.8 Ų67.852%0.51935%0.347SS..  trans-61.1154.2159.729.1-34.9000108.8T281 P287T281-P285 VanDerWaalsContact O-N 3.08Å; P285-P287 WeakPolarHBondContact O-CD 3.47Å
286F98.6Very high96.1Very high35 Ų3567.5 Ų67.515%0.15434%0.344CS..  trans-56.3112.2178.1-63-42.8000110.4V136 I137 L138 M265 W272 L278 P280V136-F286 HydrophobicContact CB-CB 3.9Å; V136-F286 HydrophobicContact CG2-CB 3.79Å; I137-F286 WeakPolarHBondContact O-CB 3.22Å; L138-F286 HydrophobicContact CB-CE1 4.44Å; L138-F286 HydrophobicContact CD2-CD1 4.13Å; L138-F286 HydrophobicContact CD2-CD2 3.69Å; L138-F286 HydrophobicContact CD2-CE1 4.03Å; L138-F286 HydrophobicContact CD2-CE2 3.56Å; L138-F286 HydrophobicContact CD2-CG 3.98Å; L138-F286 HydrophobicContact CD2-CZ 3.74Å; L138-F286 WeakPolarHBondContact O-CE1 3.24Å; M265-F286 HydrophobicContact CE-CD2 4.36Å; W272-F286 AromaticContact CD2-CE2 3.87Å; W272-F286 HydrophobicContact CD2-CE2 3.87Å; W272-F286 HydrophobicContact CD2-CZ 4.26Å; W272-F286 AromaticContact CE2-CE2 3.86Å; W272-F286 AromaticContact CE2-CZ 3.78Å; W272-F286 HydrophobicContact CE3-CE2 4.49Å; W272-F286 AromaticContact CG-CE2 3.95Å; W272-F286 HydrophobicContact CG-CE2 3.95Å; W272-F286 HydrophobicContact CZ2-CE2 4.45Å; W272-F286 HydrophobicContact CZ2-CZ 4.02Å; W272-F286 AromaticContact NE1-CE2 3.95Å; W272-F286 AromaticContact NE1-CZ 3.91Å; L278-F286 HydrophobicContact CD2-CE1 4.18Å; L278-F286 HydrophobicContact CD2-CZ 4.43Å; L278-F286 HydrophobicContact CG-CE1 4.27Å; L278-F286 HydrophobicContact CG-CZ 4.36Å; P280-F286 HydrophobicContact CB-CD1 4.28Å; P280-F286 HydrophobicContact CB-CD2 4.21Å; P280-F286 HydrophobicContact CB-CE1 4.22Å; P280-F286 HydrophobicContact CB-CE2 4.16Å; P280-F286 HydrophobicContact CB-CG 4.27Å; P280-F286 HydrophobicContact CB-CZ 4.17Å; P280-F286 HydrophobicContact CG-CD2 4.24Å; P280-F286 HydrophobicContact CG-CE2 3.93Å; P280-F286 HydrophobicContact CG-CZ 4.2Å
287P98.4Very high96Very high28 Ų2871.7 Ų71.718%0.18237%0.365CS..  trans-74.8144.8-171.628.3-33.8000110.7V136 I137 P285 L289V136-P287 CarbonylContact C-O 3.48Å; V136-P287 VanDerWaalsContact CA-O 3.27Å; V136-P287 WeakPolarHBondContact CA-O 3.12Å; I137-P287 HydrophobicContact CB-CG 4.23Å; I137-P287 HydrophobicContact CD1-CG 4.34Å; I137-P287 PolarHBondContact N-O 3.4Å; I137-P287 WeakPolarHBondContact O-CD 3.13Å; P285-P287 WeakPolarHBondContact O-CD 3.47Å; P287-L289 PolarHBondContact O-N 2.93Å
288P98.6Very high96Very high77 Ų7775.9 Ų75.950%0.539%0.388SS..BIsolated β-bridgetrans-64136.4175.827.8-34.3000110.5H119H119-P288 PolarHBondContact CE1-O 2.85Å
289L98.8Very high95.9Very high0 Ų081.1 Ų81.10%041%0.414CS..SBendtrans-67.9-44.8174.8174.268.8000111.2T118 H119 V123 Q124 A127 P135 I137 I264 P287 T291T118-L289 WeakPolarHBondContact O-CD1 3.24Å; H119-L289 PolarHBondContact ND1-O 3.01Å; V123-L289 HydrophobicContact CG1-CD1 3.89Å; V123-L289 HydrophobicContact CG1-CD2 4.35Å; Q124-L289 HydrophobicContact CG-CG 4.38Å; A127-L289 HydrophobicContact CB-CD2 3.54Å; P135-L289 HydrophobicContact CB-CB 3.95Å; P135-L289 HydrophobicContact CB-CD2 3.97Å; P135-L289 HydrophobicContact CG-CB 3.99Å; P135-L289 HydrophobicContact CG-CD2 4.02Å; P135-L289 WeakPolarHBondContact O-CB 3.4Å; P135-L289 PolarHBondContact O-N 2.74Å; I137-L289 HydrophobicContact CD1-CD1 4.25Å; I137-L289 HydrophobicContact CG1-CB 4.39Å; I137-L289 HydrophobicContact CG1-CD1 4.28Å; I264-L289 HydrophobicContact CD1-CD2 3.7Å; I264-L289 HydrophobicContact CG1-CD2 4.42Å; P287-L289 PolarHBondContact O-N 2.93Å; L289-T291 PolarHBondContact O-N 2.66Å
290Y98.4Very high95.8Very high55 Ų5583.8 Ų83.822%0.21643%0.43CS..  trans-69.9121.9-178.6-63.6-33.1000110.6Q124 A127 K128 L132 P135Q124-Y290 HydrophobicContact CB-CD1 4.1Å; Q124-Y290 HydrophobicContact CB-CE1 4.28Å; Q124-Y290 HydrophobicContact CG-CD1 4.13Å; A127-Y290 VanDerWaalsContact C-OH 3.29Å; A127-Y290 HydrophobicContact CB-CE1 3.93Å; K128-Y290 WeakPolarHBondContact CA-OH 3.31Å; K128-Y290 HydrophobicContact CD-CE1 4.35Å; K128-Y290 HydrophobicContact CG-CE1 3.71Å; K128-Y290 WeakPolarHBondContact CG-OH 3.37Å; K128-Y290 PolarHBondContact N-OH 2.85Å; K128-Y290 VanDerWaalsContact N-OH 3.16Å; L132-Y290 WeakPolarHBondContact O-CE2 3.42Å; L132-Y290 PolarHBondContact O-OH 3.09Å; P135-Y290 HydrophobicContact CG-CD1 4.12Å; P135-Y290 HydrophobicContact CG-CD2 3.7Å; P135-Y290 HydrophobicContact CG-CE1 3.78Å; P135-Y290 HydrophobicContact CG-CE2 3.35Å; P135-Y290 HydrophobicContact CG-CG 4.07Å
291T93.4Very high95.6Very high78 Ų7886.2 Ų86.248%0.47944%0.435SS..  trans-93.2151.3172.462.70000109.3H119 Q124 L289H119-T291 HydrophobicContact CB-CG2 3.93Å; Q124-T291 PolarHBondContact NE2-OG1 3.29Å; L289-T291 PolarHBondContact O-N 2.66Å
292K72.4Confident95.4Very high279 Ų27989.9 Ų89.9100%1.21345%0.45SS*.  trans-67.90168.3-67.1-175.3-179.2179.90111.2

Retrieved 292 of 292 residues in 1042.4 ms (Link to these results)

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