G4VC26_SCHMA Loading...

Rab GDP dissociation inhibitor

Regulates the GDP/GTP exchange reaction of most RAB proteins by inhibiting the dissociation of GDP from them, and the subsequent binding of GTP.

AlphaFold DB , UniProt , Accession G4VC26, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 446 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
1M77.6Confident94Very high26 Ų2636.2 Ų36.213%0.12818%0.184CC..  0-67.60-77.6-57.1-69.700110.1D3 L31 I33 M254 K277 I278 A279M1-D3 PolarHBondContact O-N 3.49Å; M1-L31 HydrophobicContact SD-CD2 4.36Å; M1-I33 HydrophobicContact SD-CD1 4.11Å; M1-M254 HydrophobicContact CG-SD 4.37Å; M1-K277 HydrophobicContact CB-CB 3.86Å; M1-K277 HydrophobicContact CB-CD 4.01Å; M1-K277 HydrophobicContact CE-CB 4.22Å; M1-K277 WeakPolarHBondContact CE-O 3.44Å; M1-K277 HydrophobicContact CG-CB 4.49Å; M1-I278 CarbonylContact O-C 3.53Å; M1-A279 HydrophobicContact CE-CB 4.27Å; M1-A279 WeakPolarHBondContact O-CA 3.3Å; M1-A279 VanDerWaalsContact O-CB 3.24Å; M1-A279 WeakPolarHBondContact O-CB 3.31Å; M1-A279 PolarHBondContact O-N 2.75Å; M1-A279 HydrophobicContact SD-CB 4.14Å
2D80.8Confident94.3Very high114 Ų11433.2 Ų33.261%0.6117%0.169SC*.  trans-78.162.9-178.3-54.2-50.1000113.3K277D2-K277 WeakPolarHBondContact OD1-CB 3.31Å; D2-K277 WeakPolarHBondContact OD2-CD 3.49Å; D2-K277 IonicContact OD2-NZ 2.86Å
3D91Very high94.5Very high78 Ų7830.9 Ų30.942%0.41716%0.159SC..SBendtrans-147.2167.5-179.6-162.1-4.4000109.6M1 Y5 K29 K280M1-D3 PolarHBondContact O-N 3.49Å; D3-Y5 HydrophobicContact CB-CE2 3.75Å; D3-K29 IonicContact OD1-NZ 2.83Å; D3-K29 PolarHBondContact OD1-NZ 3.43Å; D3-K29 WeakPolarHBondContact OD2-CE 3.38Å; D3-K29 IonicContact OD2-NZ 2.72Å; D3-K29 PolarHBondContact OD2-NZ 2.97Å; D3-K280 PolarHBondContact O-N 3.46Å
4E96.4Very high94.7Very high118 Ų11828.7 Ų28.755%0.55115%0.147SC*.EExtended strand (participates in β ladder)trans-103.1131.3177.3-170.6172.1174.300110.3K29 K280E4-K29 WeakPolarHBondContact O-CD 3.38Å; E4-K29 VanDerWaalsContact O-CE 3.31Å; E4-K29 WeakPolarHBondContact O-CE 3.19Å; E4-K29 PolarHBondContact O-NZ 2.66Å; E4-K280 WeakPolarHBondContact CA-O 3.37Å; E4-K280 HydrophobicContact CB-CB 4.39Å; E4-K280 HydrophobicContact CG-CB 4.24Å
5Y98.1Very high95Very high14 Ų1426.9 Ų26.96%0.05514%0.138CC..EExtended strand (participates in β ladder)trans-124.7152-176.1-61.6-88.8000110.4D3 K29 L31 A279 K280 C281 N282D3-Y5 HydrophobicContact CB-CE2 3.75Å; Y5-K29 HydrophobicContact CD1-CD 4.28Å; Y5-K29 HydrophobicContact CD1-CG 3.89Å; Y5-K29 HydrophobicContact CE1-CG 4.43Å; Y5-L31 HydrophobicContact CD1-CB 3.54Å; Y5-L31 HydrophobicContact CD2-CB 4.09Å; Y5-L31 HydrophobicContact CD2-CD2 4.03Å; Y5-L31 HydrophobicContact CE1-CB 3.6Å; Y5-L31 HydrophobicContact CE1-CD2 4.42Å; Y5-L31 HydrophobicContact CE1-CG 4.4Å; Y5-L31 HydrophobicContact CE2-CB 4.12Å; Y5-L31 HydrophobicContact CE2-CD2 3.6Å; Y5-L31 HydrophobicContact CE2-CG 4.41Å; Y5-L31 HydrophobicContact CG-CB 3.8Å; Y5-A279 HydrophobicContact CD2-CB 4.16Å; Y5-A279 HydrophobicContact CE2-CB 4.06Å; Y5-K280 PolarHBondContact N-O 3.45Å; Y5-C281 WeakPolarHBondContact O-CA 3.09Å; Y5-N282 PolarHBondContact O-N 3.03Å
6D98.2Very high95.2Very high47 Ų4725.4 Ų25.425%0.25113%0.13SC..SBendtrans-72.5-40.6171-70.7-58000110.8K28 K29 N282 M283D6-K28 HydrophobicContact CB-CB 3.89Å; D6-K28 HydrophobicContact CB-CD 4.05Å; D6-K28 HydrophobicContact CB-CG 4.46Å; D6-K28 WeakPolarHBondContact OD2-CA 3.41Å; D6-K29 PolarHBondContact N-O 2.82Å; D6-K29 PolarHBondContact OD2-N 3.43Å; D6-N282 WeakPolarHBondContact O-CB 3.33Å; D6-N282 PolarHBondContact O-N 2.9Å; D6-M283 PolarHBondContact O-N 3.11Å
7V98.6Very high95.4Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-140.7130.5-175.8-1730000109.2V9 M23 K28 K29 V30 L31 M283 I285V7-V9 HydrophobicContact CG1-CG2 3.87Å; V7-M23 HydrophobicContact CG2-CB 4.49Å; V7-M23 HydrophobicContact CG2-CG 4.25Å; V7-K28 HydrophobicContact CG2-CB 4.48Å; V7-K29 PolarHBondContact N-O 3.22Å; V7-V30 HydrophobicContact CB-CG2 4.49Å; V7-V30 WeakPolarHBondContact O-CA 3.18Å; V7-L31 PolarHBondContact O-N 3.37Å; V7-M283 HydrophobicContact CB-CG 4.24Å; V7-M283 HydrophobicContact CG1-CG 4.03Å; V7-M283 HydrophobicContact CG2-CE 4.21Å; V7-M283 HydrophobicContact CG2-CG 3.83Å; V7-M283 HydrophobicContact CG2-SD 3.98Å; V7-I285 HydrophobicContact CG1-CD1 3.92Å; V7-I285 HydrophobicContact CG1-CG1 4.04Å
8V98.6Very high95.5Very high0 Ų022.6 Ų22.60%012%0.116CC..EExtended strand (participates in β ladder)trans-103.1131.3163172.20000108.5L10 L31 I33 V272 C281 M283 V284 I285V8-L10 HydrophobicContact CG1-CD2 3.6Å; V8-L10 HydrophobicContact CG1-CG 4.23Å; V8-L31 CarbonylContact C-O 3.59Å; V8-L31 VanDerWaalsContact CA-O 3.26Å; V8-L31 WeakPolarHBondContact CA-O 3.05Å; V8-L31 HydrophobicContact CG2-CB 4.2Å; V8-L31 HydrophobicContact CG2-CD2 4.36Å; V8-I33 HydrophobicContact CG1-CD1 4.36Å; V8-V272 HydrophobicContact CB-CG1 4.41Å; V8-V272 HydrophobicContact CG1-CB 4.49Å; V8-V272 HydrophobicContact CG1-CG1 3.91Å; V8-V272 HydrophobicContact CG1-CG2 3.76Å; V8-V272 HydrophobicContact CG2-CG2 4.28Å; V8-C281 HydrophobicContact CB-CB 4.26Å; V8-C281 HydrophobicContact CG2-CB 3.58Å; V8-M283 PolarHBondContact N-O 2.84Å; V8-V284 HydrophobicContact CB-CG2 4.35Å; V8-V284 CarbonylContact O-C 3.37Å; V8-V284 VanDerWaalsContact O-CA 3.24Å; V8-V284 WeakPolarHBondContact O-CA 3.3Å; V8-I285 PolarHBondContact O-N 3.42Å
9V98.7Very high95.7Very high0 Ų021.4 Ų21.40%011%0.11CC..EExtended strand (participates in β ladder)trans-113.1128.3177.1-1740000108.7V7 E16 V30 L31 H32 I33 I285V7-V9 HydrophobicContact CG1-CG2 3.87Å; V9-E16 HydrophobicContact CG1-CB 3.65Å; V9-E16 HydrophobicContact CG1-CG 4.19Å; V9-V30 HydrophobicContact CG2-CG1 4.21Å; V9-L31 PolarHBondContact N-O 3.14Å; V9-H32 HydrophobicContact CB-CB 4.33Å; V9-H32 CarbonylContact O-C 3.54Å; V9-H32 WeakPolarHBondContact O-CA 3.44Å; V9-I33 PolarHBondContact O-N 2.7Å; V9-I285 CarbonylContact C-O 3.6Å; V9-I285 VanDerWaalsContact CA-O 3.24Å; V9-I285 WeakPolarHBondContact CA-O 3.31Å; V9-I285 HydrophobicContact CG1-CB 4.33Å; V9-I285 HydrophobicContact CG1-CG2 4.47Å; V9-I285 HydrophobicContact CG2-CB 4.22Å
10L98.5Very high95.8Very high0 Ų020.4 Ų20.40%010%0.104CC..EExtended strand (participates in β ladder)trans-116.4122.1-178.1-51.1179000110.7V8 I33 I259 V272 V284 I285 C286 D287 Y290V8-L10 HydrophobicContact CG1-CD2 3.6Å; V8-L10 HydrophobicContact CG1-CG 4.23Å; L10-I33 CarbonylContact C-O 3.53Å; L10-I33 WeakPolarHBondContact CA-O 3.49Å; L10-I33 HydrophobicContact CD2-CB 3.93Å; L10-I33 HydrophobicContact CD2-CD1 4.27Å; L10-I259 HydrophobicContact CD1-CG1 4.15Å; L10-I259 HydrophobicContact CD1-CG2 4.42Å; L10-I259 HydrophobicContact CD2-CD1 3.93Å; L10-I259 HydrophobicContact CD2-CG1 3.76Å; L10-V272 HydrophobicContact CD1-CG1 4.23Å; L10-V272 HydrophobicContact CD2-CG1 4.49Å; L10-V284 HydrophobicContact CD1-CG1 3.98Å; L10-V284 HydrophobicContact CG-CG1 4.14Å; L10-I285 PolarHBondContact N-O 3Å; L10-C286 HydrophobicContact CB-CB 3.75Å; L10-C286 HydrophobicContact CD1-CB 4.45Å; L10-C286 HydrophobicContact CG-CB 4.39Å; L10-C286 VanDerWaalsContact O-CA 3.25Å; L10-C286 WeakPolarHBondContact O-CA 3.26Å; L10-D287 PolarHBondContact O-N 3.38Å; L10-Y290 VanDerWaalsContact C-CE2 3.46Å; L10-Y290 HydrophobicContact CB-CD1 3.73Å; L10-Y290 HydrophobicContact CB-CD2 3.81Å; L10-Y290 HydrophobicContact CB-CE1 3.89Å; L10-Y290 HydrophobicContact CB-CE2 3.98Å; L10-Y290 HydrophobicContact CB-CG 3.68Å; L10-Y290 HydrophobicContact CD1-CD1 3.9Å; L10-Y290 HydrophobicContact CD1-CG 4.1Å; L10-Y290 HydrophobicContact CG-CD1 4.38Å
11G97.9Very high95.9Very high1 Ų119.4 Ų19.41%0.0110%0.099CC..  trans91.3133.9-174.100000111.8E16 H32 I33 Y290G11-E16 WeakPolarHBondContact O-CB 3.46Å; G11-E16 WeakPolarHBondContact O-CG 3.26Å; G11-H32 PolarHBondContact O-NE2 2.99Å; G11-I33 PolarHBondContact N-O 3.22Å; G11-Y290 VanDerWaalsContact N-CE2 3.34Å; G11-Y290 PolarHBondContact N-OH 3.24Å
12T97Very high96.8Very high0 Ų018.4 Ų18.40%010%0.095CC..  trans-100.832.6-177.9590000112.4C17 H32 D34 Y39 G40 P239 Y253 L255T12-C17 PolarHBondContact O-SG 3.17Å; T12-H32 WeakPolarHBondContact CG2-NE2 3.48Å; T12-D34 VanDerWaalsContact CB-OD2 3.3Å; T12-D34 WeakPolarHBondContact CB-OD2 3.36Å; T12-D34 HydrophobicContact CG2-CB 3.82Å; T12-D34 PolarHBondContact N-OD2 3.16Å; T12-D34 PolarHBondContact OG1-OD2 3.35Å; T12-Y39 HydrophobicContact CG2-CD1 3.87Å; T12-Y39 HydrophobicContact CG2-CE1 4.26Å; T12-Y39 VanDerWaalsContact OG1-CA 3.31Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.26Å; T12-G40 CarbonylContact O-C 3.52Å; T12-G40 WeakPolarHBondContact O-CA 3.39Å; T12-G40 PolarHBondContact O-N 3.16Å; T12-G40 PolarHBondContact OG1-N 3.29Å; T12-P239 WeakPolarHBondContact O-CB 3.4Å; T12-Y253 HydrophobicContact CG2-CD1 4.49Å; T12-Y253 HydrophobicContact CG2-CE1 4.28Å; T12-L255 HydrophobicContact CG2-CD2 4.06Å
13G97.2Very high97.6Very high4 Ų413.1 Ų13.14%0.0417%0.066CC..  trans-59162.8167.500000111.3K15 E16 C17G13-K15 PolarHBondContact O-N 2.97Å; G13-E16 VanDerWaalsContact CA-OE2 3.31Å; G13-E16 WeakPolarHBondContact CA-OE2 3.47Å; G13-E16 PolarHBondContact O-N 2.63Å; G13-C17 WeakPolarHBondContact O-CB 3.4Å; G13-C17 PolarHBondContact O-N 2.81Å; G13-C17 PolarHBondContact O-SG 3.17Å
14L97.9Very high97.9Very high0 Ų09.5 Ų9.50%05%0.047CC..Hα-helixtrans-57.2-38.9-178.6176.460.4000111.9I18 I43 L85 L238 F242 Y408 F414L14-I18 HydrophobicContact CD1-CD1 3.85Å; L14-I18 HydrophobicContact CD1-CG1 4.06Å; L14-I18 HydrophobicContact CG-CD1 3.82Å; L14-I18 HydrophobicContact CG-CG1 4.45Å; L14-I18 WeakPolarHBondContact O-CD1 3.41Å; L14-I18 VanDerWaalsContact O-CG1 3.22Å; L14-I18 WeakPolarHBondContact O-CG1 3.28Å; L14-I18 PolarHBondContact O-N 3.43Å; L14-I43 HydrophobicContact CB-CG2 4.07Å; L14-L85 HydrophobicContact CD2-CD2 4.16Å; L14-L238 HydrophobicContact CD1-CB 3.65Å; L14-L238 HydrophobicContact CD1-CD1 4.41Å; L14-L238 HydrophobicContact CD2-CD1 4.08Å; L14-F242 HydrophobicContact CD1-CD2 4.01Å; L14-F242 HydrophobicContact CD1-CE2 4.07Å; L14-Y408 WeakPolarHBondContact CB-OH 3.43Å; L14-Y408 PolarHBondContact N-OH 2.92Å; L14-F414 HydrophobicContact CD2-CD1 3.9Å; L14-F414 HydrophobicContact CD2-CE1 3.46Å; L14-F414 VanDerWaalsContact CD2-CE1 3.46Å; L14-F414 HydrophobicContact CD2-CZ 4.06Å
15K98.2Very high97.8Very high2 Ų26.6 Ų6.61%0.0093%0.034CC..Hα-helixtrans-67.2-47.3-176-59.1-179.8175.5-177.10110.8G13 I18 L19 S406 Y408 T417 D420 V421G13-K15 PolarHBondContact O-N 2.97Å; K15-I18 PolarHBondContact O-N 2.91Å; K15-L19 WeakPolarHBondContact O-CG 3.45Å; K15-L19 PolarHBondContact O-N 3.36Å; K15-S406 PolarHBondContact NZ-O 3.07Å; K15-S406 PolarHBondContact NZ-OG 3.44Å; K15-Y408 HydrophobicContact CG-CE1 4.41Å; K15-T417 HydrophobicContact CD-CG2 4.32Å; K15-T417 HydrophobicContact CG-CG2 3.78Å; K15-D420 HydrophobicContact CD-CB 4.49Å; K15-D420 VanDerWaalsContact CD-OD2 3.23Å; K15-D420 WeakPolarHBondContact CD-OD2 3.43Å; K15-D420 WeakPolarHBondContact CE-OD2 3.38Å; K15-D420 IonicContact NZ-OD2 2.87Å; K15-D420 PolarHBondContact NZ-OD2 3.39Å; K15-V421 HydrophobicContact CB-CG2 3.71Å; K15-V421 HydrophobicContact CG-CG2 3.74Å
16E98.5Very high97.6Very high2 Ų29.5 Ų9.51%0.0095%0.048CC..Hα-helixtrans-64.3-42.4177.9-6764.9-126.800111V9 G11 G13 L19 S20 S405V9-E16 HydrophobicContact CG1-CB 3.65Å; V9-E16 HydrophobicContact CG1-CG 4.19Å; G11-E16 WeakPolarHBondContact O-CB 3.46Å; G11-E16 WeakPolarHBondContact O-CG 3.26Å; G13-E16 VanDerWaalsContact CA-OE2 3.31Å; G13-E16 WeakPolarHBondContact CA-OE2 3.47Å; G13-E16 PolarHBondContact O-N 2.63Å; E16-L19 PolarHBondContact O-N 3.35Å; E16-S20 VanDerWaalsContact O-CB 3.25Å; E16-S20 WeakPolarHBondContact O-CB 3.45Å; E16-S20 PolarHBondContact O-N 2.96Å; E16-S20 PolarHBondContact O-OG 3.11Å; E16-S405 WeakPolarHBondContact OE1-CB 3.37Å; E16-S405 PolarHBondContact OE1-OG 3.45Å
17C98.4Very high97.4Very high0 Ų010.4 Ų10.40%07%0.069CC..Hα-helixtrans-62.9-43.4175.3-78.70000112.5T12 G13 S20 S21 P239 F242T12-C17 PolarHBondContact O-SG 3.17Å; G13-C17 WeakPolarHBondContact O-CB 3.4Å; G13-C17 PolarHBondContact O-N 2.81Å; G13-C17 PolarHBondContact O-SG 3.17Å; C17-S20 PolarHBondContact O-OG 3.09Å; C17-S21 WeakPolarHBondContact O-CB 2.79Å; C17-S21 PolarHBondContact O-N 3.32Å; C17-S21 VanDerWaalsContact O-N 3.13Å; C17-S21 PolarHBondContact O-OG 3.14Å; C17-P239 HydrophobicContact CB-CB 4.03Å; C17-P239 PolarHBondContact SG-O 3.12Å; C17-F242 HydrophobicContact CB-CB 3.76Å
18I98.1Very high97.4Very high1 Ų114.2 Ų14.21%0.0059%0.085CC..Hα-helixtrans-60-53.2173.6-68.5163.1000110L14 K15 S20 S21 L22 L85 I88 F242 V421L14-I18 HydrophobicContact CD1-CD1 3.85Å; L14-I18 HydrophobicContact CD1-CG1 4.06Å; L14-I18 HydrophobicContact CG-CD1 3.82Å; L14-I18 HydrophobicContact CG-CG1 4.45Å; L14-I18 WeakPolarHBondContact O-CD1 3.41Å; L14-I18 VanDerWaalsContact O-CG1 3.22Å; L14-I18 WeakPolarHBondContact O-CG1 3.28Å; L14-I18 PolarHBondContact O-N 3.43Å; K15-I18 PolarHBondContact O-N 2.91Å; I18-S20 PolarHBondContact O-N 3.12Å; I18-S21 WeakPolarHBondContact O-CB 3.25Å; I18-S21 PolarHBondContact O-N 2.85Å; I18-S21 VanDerWaalsContact O-N 3.15Å; I18-L22 HydrophobicContact CG2-CD1 3.85Å; I18-L22 HydrophobicContact CG2-CG 4.23Å; I18-L22 WeakPolarHBondContact O-CG 3.36Å; I18-L22 PolarHBondContact O-N 3.29Å; I18-L85 HydrophobicContact CD1-CD1 3.96Å; I18-I88 HydrophobicContact CG2-CG2 3.95Å; I18-F242 HydrophobicContact CD1-CE2 4.17Å; I18-F242 HydrophobicContact CD1-CZ 4.41Å; I18-F242 HydrophobicContact CG1-CD1 4.29Å; I18-F242 HydrophobicContact CG1-CD2 3.74Å; I18-F242 HydrophobicContact CG1-CE1 4Å; I18-F242 HydrophobicContact CG1-CE2 3.42Å; I18-F242 VanDerWaalsContact CG1-CE2 3.42Å; I18-F242 HydrophobicContact CG1-CG 4.18Å; I18-F242 HydrophobicContact CG1-CZ 3.57Å; I18-V421 HydrophobicContact CB-CG1 4.18Å; I18-V421 HydrophobicContact CD1-CG1 4.5Å; I18-V421 HydrophobicContact CD1-CG2 4.26Å; I18-V421 HydrophobicContact CG2-CG1 3.59Å
19L98.4Very high97.4Very high0 Ų018.2 Ų18.20%010%0.103CC..Hα-helixtrans-61.5-44.7-176.8-71.5166.5000112.1K15 E16 S21 L22 M23 I285 V421 L424K15-L19 WeakPolarHBondContact O-CG 3.45Å; K15-L19 PolarHBondContact O-N 3.36Å; E16-L19 PolarHBondContact O-N 3.35Å; L19-S21 PolarHBondContact O-N 2.92Å; L19-L22 PolarHBondContact O-N 2.86Å; L19-M23 WeakPolarHBondContact O-CB 3.29Å; L19-M23 VanDerWaalsContact O-CG 3.25Å; L19-M23 WeakPolarHBondContact O-CG 3.47Å; L19-M23 PolarHBondContact O-N 2.9Å; L19-I285 HydrophobicContact CB-CD1 4.07Å; L19-I285 HydrophobicContact CB-CG2 4.49Å; L19-I285 HydrophobicContact CD1-CG2 3.81Å; L19-V421 HydrophobicContact CD2-CG1 4.35Å; L19-V421 HydrophobicContact CG-CG1 4.41Å; L19-L424 HydrophobicContact CD1-CB 3.71Å; L19-L424 HydrophobicContact CD1-CD1 3.63Å; L19-L424 HydrophobicContact CD1-CG 4.27Å; L19-L424 HydrophobicContact CD2-CB 4.16Å
20S98.1Very high97.4Very high0 Ų018.2 Ų18.20%010%0.103CC..Hα-helixtrans-59-37.6176.769.90000112.4E16 C17 I18 S24 H32 C246 Y253E16-S20 VanDerWaalsContact O-CB 3.25Å; E16-S20 WeakPolarHBondContact O-CB 3.45Å; E16-S20 PolarHBondContact O-N 2.96Å; E16-S20 PolarHBondContact O-OG 3.11Å; C17-S20 PolarHBondContact O-OG 3.09Å; I18-S20 PolarHBondContact O-N 3.12Å; S20-S24 WeakPolarHBondContact O-CB 2.88Å; S20-S24 PolarHBondContact O-N 3.23Å; S20-S24 PolarHBondContact O-OG 3.34Å; S20-H32 VanDerWaalsContact CB-ND1 3.26Å; S20-H32 WeakPolarHBondContact CB-ND1 3.4Å; S20-H32 PolarHBondContact OG-ND1 3.3Å; S20-C246 PolarHBondContact O-SG 2.77Å; S20-C246 VanDerWaalsContact O-SG 3.39Å; S20-Y253 PolarHBondContact OG-OH 2.91Å
21S97.2Very high97.3Very high0 Ų018.2 Ų18.20%010%0.103CC..Hα-helixtrans-68.8-48.7176.9-56.70000111.2C17 I18 L19 M23 S24 M25 F242C17-S21 WeakPolarHBondContact O-CB 2.79Å; C17-S21 PolarHBondContact O-N 3.32Å; C17-S21 VanDerWaalsContact O-N 3.13Å; C17-S21 PolarHBondContact O-OG 3.14Å; I18-S21 WeakPolarHBondContact O-CB 3.25Å; I18-S21 PolarHBondContact O-N 2.85Å; I18-S21 VanDerWaalsContact O-N 3.15Å; L19-S21 PolarHBondContact O-N 2.92Å; S21-M23 VanDerWaalsContact C-N 3.3Å; S21-M23 PolarHBondContact O-N 2.84Å; S21-S24 PolarHBondContact O-N 3.48Å; S21-S24 PolarHBondContact O-OG 2.89Å; S21-M25 WeakPolarHBondContact O-CG 3.37Å; S21-M25 PolarHBondContact O-N 3.38Å; S21-F242 WeakPolarHBondContact OG-CB 3.26Å; S21-F242 PolarHBondContact OG-O 3.18Å
22L97.2Very high97.4Very high6 Ų618.1 Ų18.13%0.03110%0.102CC..Hα-helixtrans-58.7-42.7176.7-66.1178.3000111.4I18 L19 S24 M25 E26 T92 Y425 F433I18-L22 HydrophobicContact CG2-CD1 3.85Å; I18-L22 HydrophobicContact CG2-CG 4.23Å; I18-L22 WeakPolarHBondContact O-CG 3.36Å; I18-L22 PolarHBondContact O-N 3.29Å; L19-L22 PolarHBondContact O-N 2.86Å; L22-S24 PolarHBondContact O-N 2.9Å; L22-M25 PolarHBondContact O-N 3.48Å; L22-E26 WeakPolarHBondContact O-CG 3.47Å; L22-E26 PolarHBondContact O-N 2.89Å; L22-T92 HydrophobicContact CD2-CG2 3.67Å; L22-Y425 HydrophobicContact CB-CD2 4.19Å; L22-Y425 HydrophobicContact CB-CE2 4.13Å; L22-Y425 HydrophobicContact CD1-CD2 3.75Å; L22-Y425 HydrophobicContact CD1-CE2 4.19Å; L22-F433 HydrophobicContact CD1-CD2 4.39Å; L22-F433 HydrophobicContact CD1-CE2 4.22Å; L22-F433 HydrophobicContact CD2-CE2 3.71Å; L22-F433 HydrophobicContact CD2-CZ 3.85Å
23M97.6Very high97.4Very high2 Ų218.1 Ų18.11%0.0110%0.102CC..Hα-helixtrans-63-43.8176.9-68.8-53.397.500111.7V7 L19 S21 M25 E26 K28 V30 I285 Y425 V428 V429V7-M23 HydrophobicContact CG2-CB 4.49Å; V7-M23 HydrophobicContact CG2-CG 4.25Å; L19-M23 WeakPolarHBondContact O-CB 3.29Å; L19-M23 VanDerWaalsContact O-CG 3.25Å; L19-M23 WeakPolarHBondContact O-CG 3.47Å; L19-M23 PolarHBondContact O-N 2.9Å; S21-M23 VanDerWaalsContact C-N 3.3Å; S21-M23 PolarHBondContact O-N 2.84Å; M23-M25 VanDerWaalsContact C-N 3.33Å; M23-M25 PolarHBondContact O-N 2.63Å; M23-E26 PolarHBondContact O-N 2.86Å; M23-K28 HydrophobicContact CB-CB 4.24Å; M23-K28 HydrophobicContact CB-CG 4.33Å; M23-K28 WeakPolarHBondContact O-CB 3.29Å; M23-K28 WeakPolarHBondContact O-CG 3.37Å; M23-K28 PolarHBondContact O-N 3.06Å; M23-V30 HydrophobicContact CB-CG2 3.84Å; M23-I285 HydrophobicContact CG-CD1 4.4Å; M23-Y425 HydrophobicContact CE-CD2 3.75Å; M23-Y425 HydrophobicContact CE-CE2 3.71Å; M23-V428 HydrophobicContact CE-CG1 4.22Å; M23-V428 HydrophobicContact SD-CG1 3.56Å; M23-V428 VanDerWaalsContact SD-CG1 3.56Å; M23-V429 HydrophobicContact CE-CG2 3.32Å; M23-V429 HydrophobicContact SD-CG2 4.09Å
24S96.9Very high97.4Very high2 Ų218 Ų181%0.01410%0.101CC..Hα-helixtrans-64.8-36.5176.166.70000112.7S20 S21 L22 E26 G27 C246S20-S24 WeakPolarHBondContact O-CB 2.88Å; S20-S24 PolarHBondContact O-N 3.23Å; S20-S24 PolarHBondContact O-OG 3.34Å; S21-S24 PolarHBondContact O-N 3.48Å; S21-S24 PolarHBondContact O-OG 2.89Å; L22-S24 PolarHBondContact O-N 2.9Å; S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 3Å; S24-G27 WeakPolarHBondContact O-CA 3.26Å; S24-G27 PolarHBondContact O-N 2.89Å; S24-C246 WeakPolarHBondContact OG-CA 3.36Å
25M94.2Very high97.3Very high57 Ų5721.9 Ų21.928%0.28112%0.117SC..Hα-helixtrans-66.4-28.9175.2-71.8175.666.700112.6S21 L22 M23 G27 T92 L245 Y249S21-M25 WeakPolarHBondContact O-CG 3.37Å; S21-M25 PolarHBondContact O-N 3.38Å; L22-M25 PolarHBondContact O-N 3.48Å; M23-M25 VanDerWaalsContact C-N 3.33Å; M23-M25 PolarHBondContact O-N 2.63Å; M25-G27 PolarHBondContact O-N 3.1Å; M25-T92 HydrophobicContact SD-CG2 4.05Å; M25-L245 HydrophobicContact SD-CD2 3.91Å; M25-Y249 HydrophobicContact CG-CD1 4.2Å; M25-Y249 HydrophobicContact CG-CD2 3.82Å; M25-Y249 HydrophobicContact CG-CE1 4.15Å; M25-Y249 HydrophobicContact CG-CE2 3.79Å; M25-Y249 HydrophobicContact CG-CG 4.04Å
26E94.1Very high97.2Very high75 Ų7523.7 Ų23.735%0.3513%0.127SC..THydrogen-bonded Turntrans-76.53170.8-72.2-175.2-16500113.9L22 M23 S24 K28 Y425L22-E26 WeakPolarHBondContact O-CG 3.47Å; L22-E26 PolarHBondContact O-N 2.89Å; M23-E26 PolarHBondContact O-N 2.86Å; S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 3Å; E26-K28 HydrophobicContact CB-CG 4.43Å; E26-Y425 WeakPolarHBondContact OE1-CE2 3.3Å; E26-Y425 PolarHBondContact OE1-OH 3.22Å
27G95.4Very high97Very high66 Ų6627.6 Ų27.668%0.6816%0.155SC*.THydrogen-bonded Turntrans80.115.3179.900000114S24 M25S24-G27 WeakPolarHBondContact O-CA 3.26Å; S24-G27 PolarHBondContact O-N 2.89Å; M25-G27 PolarHBondContact O-N 3.1Å
28K97.7Very high96.8Very high81 Ų8132 Ų3235%0.35217%0.172SC..  trans-73.9140.8173-55.9-59.5-174.2-179.60110.4D6 V7 M23 E26 V30D6-K28 HydrophobicContact CB-CB 3.89Å; D6-K28 HydrophobicContact CB-CD 4.05Å; D6-K28 HydrophobicContact CB-CG 4.46Å; D6-K28 WeakPolarHBondContact OD2-CA 3.41Å; V7-K28 HydrophobicContact CG2-CB 4.48Å; M23-K28 HydrophobicContact CB-CB 4.24Å; M23-K28 HydrophobicContact CB-CG 4.33Å; M23-K28 WeakPolarHBondContact O-CB 3.29Å; M23-K28 WeakPolarHBondContact O-CG 3.37Å; M23-K28 PolarHBondContact O-N 3.06Å; E26-K28 HydrophobicContact CB-CG 4.43Å; K28-V30 HydrophobicContact CB-CG2 4.28Å; K28-V30 PolarHBondContact O-N 3.1Å
29K97.9Very high96.6Very high83 Ų8335.2 Ų35.236%0.36119%0.185SC..  trans-77.7107.6170.6-169.6-180171.7-168.50109.6D3 E4 Y5 D6 V7D3-K29 IonicContact OD1-NZ 2.83Å; D3-K29 PolarHBondContact OD1-NZ 3.43Å; D3-K29 WeakPolarHBondContact OD2-CE 3.38Å; D3-K29 IonicContact OD2-NZ 2.72Å; D3-K29 PolarHBondContact OD2-NZ 2.97Å; E4-K29 WeakPolarHBondContact O-CD 3.38Å; E4-K29 VanDerWaalsContact O-CE 3.31Å; E4-K29 WeakPolarHBondContact O-CE 3.19Å; E4-K29 PolarHBondContact O-NZ 2.66Å; Y5-K29 HydrophobicContact CD1-CD 4.28Å; Y5-K29 HydrophobicContact CD1-CG 3.89Å; Y5-K29 HydrophobicContact CE1-CG 4.43Å; D6-K29 PolarHBondContact N-O 2.82Å; D6-K29 PolarHBondContact OD2-N 3.43Å; V7-K29 PolarHBondContact N-O 3.22Å
30V98.5Very high96.3Very high0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-106.6133-172.5176.70000111.7V7 V9 M23 K28 T252V7-V30 HydrophobicContact CB-CG2 4.49Å; V7-V30 WeakPolarHBondContact O-CA 3.18Å; V9-V30 HydrophobicContact CG2-CG1 4.21Å; M23-V30 HydrophobicContact CB-CG2 3.84Å; K28-V30 HydrophobicContact CB-CG2 4.28Å; K28-V30 PolarHBondContact O-N 3.1Å; V30-T252 PolarHBondContact O-N 3.25Å
31L98.2Very high96Very high0 Ų035.9 Ų35.90%019%0.191CC..EExtended strand (participates in β ladder)trans-114.5115.2164.3174.861.7000109.3M1 Y5 V7 V8 V9 I33 T252 M254 A279M1-L31 HydrophobicContact SD-CD2 4.36Å; Y5-L31 HydrophobicContact CD1-CB 3.54Å; Y5-L31 HydrophobicContact CD2-CB 4.09Å; Y5-L31 HydrophobicContact CD2-CD2 4.03Å; Y5-L31 HydrophobicContact CE1-CB 3.6Å; Y5-L31 HydrophobicContact CE1-CD2 4.42Å; Y5-L31 HydrophobicContact CE1-CG 4.4Å; Y5-L31 HydrophobicContact CE2-CB 4.12Å; Y5-L31 HydrophobicContact CE2-CD2 3.6Å; Y5-L31 HydrophobicContact CE2-CG 4.41Å; Y5-L31 HydrophobicContact CG-CB 3.8Å; V7-L31 PolarHBondContact O-N 3.37Å; V8-L31 CarbonylContact C-O 3.59Å; V8-L31 VanDerWaalsContact CA-O 3.26Å; V8-L31 WeakPolarHBondContact CA-O 3.05Å; V8-L31 HydrophobicContact CG2-CB 4.2Å; V8-L31 HydrophobicContact CG2-CD2 4.36Å; V9-L31 PolarHBondContact N-O 3.14Å; L31-I33 HydrophobicContact CD1-CG1 4.15Å; L31-I33 HydrophobicContact CD2-CD1 3.78Å; L31-I33 HydrophobicContact CD2-CG1 4.3Å; L31-I33 HydrophobicContact CG-CD1 3.91Å; L31-I33 HydrophobicContact CG-CG1 3.88Å; L31-T252 HydrophobicContact CD1-CG2 4Å; L31-M254 HydrophobicContact CD1-CE 3.7Å; L31-M254 HydrophobicContact CD1-CG 4.16Å; L31-M254 HydrophobicContact CD1-SD 3.91Å; L31-A279 HydrophobicContact CD2-CB 3.7Å
32H98.1Very high95.8Very high0 Ų039.7 Ų39.70%021%0.211CC..EExtended strand (participates in β ladder)trans-108.8117.1-179.5-161.7150.4000109.8V9 G11 T12 S20 T252 Y253 M254V9-H32 HydrophobicContact CB-CB 4.33Å; V9-H32 CarbonylContact O-C 3.54Å; V9-H32 WeakPolarHBondContact O-CA 3.44Å; G11-H32 PolarHBondContact O-NE2 2.99Å; T12-H32 WeakPolarHBondContact CG2-NE2 3.48Å; S20-H32 VanDerWaalsContact CB-ND1 3.26Å; S20-H32 WeakPolarHBondContact CB-ND1 3.4Å; S20-H32 PolarHBondContact OG-ND1 3.3Å; H32-T252 PolarHBondContact N-O 3.21Å; H32-Y253 HydrophobicContact CB-CD1 3.84Å; H32-Y253 HydrophobicContact CB-CD2 4.26Å; H32-Y253 HydrophobicContact CB-CE1 3.6Å; H32-Y253 HydrophobicContact CB-CE2 4Å; H32-Y253 HydrophobicContact CB-CG 4.17Å; H32-Y253 AromaticContact CD2-CE1 3.91Å; H32-Y253 AromaticContact CE1-CE1 3.8Å; H32-Y253 AromaticContact CG-CD1 3.94Å; H32-Y253 AromaticContact CG-CE1 3.32Å; H32-Y253 AromaticContact CG-CZ 3.58Å; H32-Y253 AromaticContact ND1-CE1 3.26Å; H32-Y253 VanDerWaalsContact ND1-CE1 3.26Å; H32-Y253 WeakPolarHBondContact ND1-CE1 3.44Å; H32-Y253 AromaticContact ND1-CZ 3.23Å; H32-Y253 PolarHBondContact ND1-OH 3.08Å; H32-Y253 CarbonylContact O-C 3.4Å; H32-Y253 VanDerWaalsContact O-CA 3.29Å; H32-Y253 WeakPolarHBondContact O-CA 3.37Å; H32-M254 PolarHBondContact O-N 2.97Å
33I97.6Very high95.7Very high0 Ų039.4 Ų39.40%021%0.21CC..EExtended strand (participates in β ladder)trans-117.6141.8-174.4-60.1168.5000110M1 V8 V9 L10 G11 L31 M254 K257 I259 V272M1-I33 HydrophobicContact SD-CD1 4.11Å; V8-I33 HydrophobicContact CG1-CD1 4.36Å; V9-I33 PolarHBondContact O-N 2.7Å; L10-I33 CarbonylContact C-O 3.53Å; L10-I33 WeakPolarHBondContact CA-O 3.49Å; L10-I33 HydrophobicContact CD2-CB 3.93Å; L10-I33 HydrophobicContact CD2-CD1 4.27Å; G11-I33 PolarHBondContact N-O 3.22Å; L31-I33 HydrophobicContact CD1-CG1 4.15Å; L31-I33 HydrophobicContact CD2-CD1 3.78Å; L31-I33 HydrophobicContact CD2-CG1 4.3Å; L31-I33 HydrophobicContact CG-CD1 3.91Å; L31-I33 HydrophobicContact CG-CG1 3.88Å; I33-M254 CarbonylContact C-O 3.53Å; I33-M254 VanDerWaalsContact CA-O 3.29Å; I33-M254 WeakPolarHBondContact CA-O 3.32Å; I33-M254 HydrophobicContact CG1-CB 4.32Å; I33-K257 HydrophobicContact CG2-CB 3.79Å; I33-K257 HydrophobicContact CG2-CG 3.87Å; I33-K257 VanDerWaalsContact CG2-O 3.24Å; I33-K257 WeakPolarHBondContact CG2-O 3.43Å; I33-I259 HydrophobicContact CB-CD1 4.48Å; I33-I259 HydrophobicContact CD1-CD1 3.93Å; I33-I259 HydrophobicContact CG2-CD1 3.89Å; I33-I259 HydrophobicContact CG2-CG1 4.43Å; I33-V272 HydrophobicContact CD1-CG2 4.23Å
34D97.6Very high95.7Very high2 Ų239.8 Ų39.81%0.01121%0.213CC..  trans-129.4139.3166.2-152.9-46.8000111.1T12 N36 M254 L255 N256 K257 Y290T12-D34 VanDerWaalsContact CB-OD2 3.3Å; T12-D34 WeakPolarHBondContact CB-OD2 3.36Å; T12-D34 HydrophobicContact CG2-CB 3.82Å; T12-D34 PolarHBondContact N-OD2 3.16Å; T12-D34 PolarHBondContact OG1-OD2 3.35Å; D34-N36 VanDerWaalsContact C-N 3.26Å; D34-N36 WeakPolarHBondContact OD1-CB 3.41Å; D34-N36 PolarHBondContact OD1-N 3.46Å; D34-N36 PolarHBondContact OD1-ND2 3.33Å; D34-M254 PolarHBondContact N-O 3.15Å; D34-L255 HydrophobicContact CB-CD2 3.63Å; D34-L255 CarbonylContact O-C 3.46Å; D34-N256 PolarHBondContact O-N 3.46Å; D34-N256 VanDerWaalsContact O-N 3.08Å; D34-K257 PolarHBondContact O-N 2.91Å; D34-Y290 WeakPolarHBondContact CA-OH 3.26Å; D34-Y290 PolarHBondContact OD1-OH 3.36Å
35K96.7Very high95.7Very high80 Ų8040.9 Ų40.935%0.34822%0.22SC..SBendtrans-66.8-29169.770.7-168.2-178-167.20112.1S289 Y290K35-S289 PolarHBondContact NZ-OG 2.81Å; K35-Y290 HydrophobicContact CB-CE1 4.42Å; K35-Y290 HydrophobicContact CD-CE1 4.31Å; K35-Y290 PolarHBondContact N-OH 3.22Å
36N95.3Very high95.8Very high40 Ų4039.2 Ų39.221%0.21421%0.213CC..SBendtrans-80154.5179-57.3-62.7000111.4D34 Y38 N256D34-N36 VanDerWaalsContact C-N 3.26Å; D34-N36 WeakPolarHBondContact OD1-CB 3.41Å; D34-N36 PolarHBondContact OD1-N 3.46Å; D34-N36 PolarHBondContact OD1-ND2 3.33Å; N36-Y38 HydrophobicContact CB-CD1 4.14Å; N36-Y38 HydrophobicContact CB-CD2 4.38Å; N36-Y38 HydrophobicContact CB-CE1 3.95Å; N36-Y38 HydrophobicContact CB-CE2 4.19Å; N36-Y38 HydrophobicContact CB-CG 4.35Å; N36-Y38 PolarHBondContact O-N 3.25Å; N36-N256 PolarHBondContact O-N 3.01Å
37S94.6Very high96Very high85 Ų8538.3 Ų38.359%0.59421%0.211SC*.SBendtrans-83.86.8174.664.30000113.8
38Y93.5Very high96Very high93 Ų9335.2 Ų35.237%0.36518%0.178SC..SBendtrans-138.7163-175.757.3-97000110.4N36 T44N36-Y38 HydrophobicContact CB-CD1 4.14Å; N36-Y38 HydrophobicContact CB-CD2 4.38Å; N36-Y38 HydrophobicContact CB-CE1 3.95Å; N36-Y38 HydrophobicContact CB-CE2 4.19Å; N36-Y38 HydrophobicContact CB-CG 4.35Å; N36-Y38 PolarHBondContact O-N 3.25Å; Y38-T44 HydrophobicContact CD2-CG2 4.19Å; Y38-T44 HydrophobicContact CE2-CG2 3.82Å
39Y93.1Very high95.9Very high68 Ų6834.8 Ų34.827%0.26718%0.18SC..SBendtrans-86.1154.3178.5-67.6-80.9000112.8T12 T44 Q240 A243 Y253 L255T12-Y39 HydrophobicContact CG2-CD1 3.87Å; T12-Y39 HydrophobicContact CG2-CE1 4.26Å; T12-Y39 VanDerWaalsContact OG1-CA 3.31Å; T12-Y39 WeakPolarHBondContact OG1-CA 3.26Å; Y39-T44 VanDerWaalsContact O-CB 3.26Å; Y39-T44 WeakPolarHBondContact O-CB 3.36Å; Y39-T44 PolarHBondContact O-OG1 3.33Å; Y39-Q240 HydrophobicContact CD2-CG 3.76Å; Y39-Q240 HydrophobicContact CG-CG 3.89Å; Y39-A243 HydrophobicContact CD1-CB 4.14Å; Y39-A243 HydrophobicContact CE1-CB 3.67Å; Y39-Y253 AromaticContact CE1-CD1 3.88Å; Y39-Y253 HydrophobicContact CE1-CD1 3.88Å; Y39-Y253 HydrophobicContact CE1-CE1 4.18Å; Y39-L255 HydrophobicContact CD1-CD2 4.23Å; Y39-L255 HydrophobicContact CD2-CD1 4.14Å; Y39-L255 HydrophobicContact CE1-CD1 4.29Å; Y39-L255 HydrophobicContact CE1-CD2 4.06Å; Y39-L255 HydrophobicContact CE1-CG 4.44Å; Y39-L255 HydrophobicContact CE2-CD1 3.75Å
40G93.3Very high95.8Very high0 Ų033.1 Ų33.10%018%0.179CC..  trans104.3-14.5163.400000115.6T12 D42 I43T12-G40 CarbonylContact O-C 3.52Å; T12-G40 WeakPolarHBondContact O-CA 3.39Å; T12-G40 PolarHBondContact O-N 3.16Å; T12-G40 PolarHBondContact OG1-N 3.29Å; G40-D42 PolarHBondContact O-N 3.19Å; G40-D42 VanDerWaalsContact O-N 3.14Å; G40-I43 VanDerWaalsContact O-CG2 3.28Å; G40-I43 WeakPolarHBondContact O-CG2 3.48Å; G40-I43 PolarHBondContact O-N 3.39Å
41G92.3Very high95.8Very high13 Ų1333.1 Ų33.113%0.13418%0.179CC..G310 helixtrans49.6-122.3-175.200000111.4I43 T44G41-I43 VanDerWaalsContact C-N 3.28Å; G41-I43 PolarHBondContact O-N 3.23Å; G41-T44 WeakPolarHBondContact O-CB 3.36Å; G41-T44 WeakPolarHBondContact O-CG2 3.37Å; G41-T44 PolarHBondContact O-N 3.08Å
42D93.2Very high95.7Very high80 Ų8033.5 Ų33.543%0.42818%0.181SC..G310 helixtrans-68.5-19.4-179.6-66.4-22.5000114.7G40 L74 I75 Y408G40-D42 PolarHBondContact O-N 3.19Å; G40-D42 VanDerWaalsContact O-N 3.14Å; D42-L74 WeakPolarHBondContact O-CB 3.11Å; D42-I75 HydrophobicContact CB-CD1 3.77Å; D42-I75 WeakPolarHBondContact O-CG1 3.27Å; D42-Y408 HydrophobicContact CB-CD2 4.14Å; D42-Y408 HydrophobicContact CB-CE2 4.38Å
43I94.5Very high95.6Very high0 Ų040.4 Ų40.40%021%0.213CC..G310 helixtrans-101.215.2178-157.5162.2000112.9L14 G40 G41 L235 Y408 F414L14-I43 HydrophobicContact CB-CG2 4.07Å; G40-I43 VanDerWaalsContact O-CG2 3.28Å; G40-I43 WeakPolarHBondContact O-CG2 3.48Å; G40-I43 PolarHBondContact O-N 3.39Å; G41-I43 VanDerWaalsContact C-N 3.28Å; G41-I43 PolarHBondContact O-N 3.23Å; I43-L235 HydrophobicContact CD1-CB 4.36Å; I43-L235 HydrophobicContact CD1-CD1 4.23Å; I43-L235 HydrophobicContact CG1-CB 3.98Å; I43-L235 HydrophobicContact CG1-CD1 4.25Å; I43-Y408 HydrophobicContact CD1-CE1 4.43Å; I43-F414 HydrophobicContact CD1-CE1 3.43Å; I43-F414 VanDerWaalsContact CD1-CE1 3.43Å; I43-F414 HydrophobicContact CD1-CZ 3.58Å
44T96.5Very high95.5Very high11 Ų1145 Ų457%0.06723%0.234CC..  trans-64.5153.5175.9-159.90000111.8Y38 Y39 G41 V46 D73 L74Y38-T44 HydrophobicContact CD2-CG2 4.19Å; Y38-T44 HydrophobicContact CE2-CG2 3.82Å; Y39-T44 VanDerWaalsContact O-CB 3.26Å; Y39-T44 WeakPolarHBondContact O-CB 3.36Å; Y39-T44 PolarHBondContact O-OG1 3.33Å; G41-T44 WeakPolarHBondContact O-CB 3.36Å; G41-T44 WeakPolarHBondContact O-CG2 3.37Å; G41-T44 PolarHBondContact O-N 3.08Å; T44-V46 HydrophobicContact CG2-CG1 4.03Å; T44-D73 WeakPolarHBondContact O-CA 3.33Å; T44-L74 HydrophobicContact CG2-CD1 3.68Å; T44-L74 HydrophobicContact CG2-CG 4.01Å; T44-L74 PolarHBondContact O-N 3.39Å
45S97.5Very high95.5Very high25 Ų2546.7 Ų46.718%0.17524%0.241CC..EExtended strand (participates in β ladder)trans-104.5130.3170.1-47.80000109V72 D73 L235 G236S45-V72 CarbonylContact C-O 3.54Å; S45-V72 WeakPolarHBondContact CA-O 3.3Å; S45-D73 PolarHBondContact OG-OD1 2.64Å; S45-L235 PolarHBondContact OG-N 3.38Å; S45-G236 PolarHBondContact OG-N 2.91Å
46V97.1Very high95.5Very high22 Ų2249.9 Ų49.913%0.13326%0.263CS..EExtended strand (participates in β ladder)trans-116.9150-179-63.70000111.2T44 L51 V72 L74T44-V46 HydrophobicContact CG2-CG1 4.03Å; V46-L51 HydrophobicContact CG2-CB 3.9Å; V46-L51 HydrophobicContact CG2-CD1 3.89Å; V46-V72 HydrophobicContact CG2-CB 4.44Å; V46-V72 WeakPolarHBondContact CG2-O 3.48Å; V46-V72 PolarHBondContact N-O 3.5Å; V46-V72 PolarHBondContact O-N 3.3Å; V46-L74 HydrophobicContact CG2-CD2 4.02Å
47N96.8Very high95.5Very high55 Ų5550 Ų5029%0.29427%0.265SS..  trans-73.5173169.369.638.2000111.1D49 S50 L51 A67 W70N47-D49 PolarHBondContact O-N 3.21Å; N47-D49 PolarHBondContact OD1-N 2.97Å; N47-D49 VanDerWaalsContact OD1-N 3.11Å; N47-S50 PolarHBondContact O-N 2.91Å; N47-S50 WeakPolarHBondContact OD1-CB 3.43Å; N47-S50 PolarHBondContact OD1-N 2.82Å; N47-S50 PolarHBondContact OD1-OG 2.79Å; N47-L51 WeakPolarHBondContact O-CB 3.47Å; N47-L51 PolarHBondContact O-N 2.61Å; N47-A67 HydrophobicContact CB-CB 4.32Å; N47-A67 WeakPolarHBondContact CB-O 3.17Å; N47-W70 WeakPolarHBondContact CA-O 3.31Å
48I97Very high95.3Very high1 Ų155.3 Ų55.31%0.00528%0.28CS..Hα-helixtrans-61.2-41.1-176.1-161.262.4000112.9L51 F52 Y64 A67 W70 I307I48-L51 HydrophobicContact CD1-CD2 4.25Å; I48-L51 WeakPolarHBondContact O-CB 3.16Å; I48-L51 PolarHBondContact O-N 3.31Å; I48-F52 HydrophobicContact CD1-CD2 4.13Å; I48-F52 HydrophobicContact CD1-CE2 3.72Å; I48-F52 HydrophobicContact CG1-CD2 4.02Å; I48-F52 HydrophobicContact CG1-CE2 3.86Å; I48-F52 VanDerWaalsContact O-CD2 3.3Å; I48-F52 WeakPolarHBondContact O-CD2 3.42Å; I48-F52 PolarHBondContact O-N 2.84Å; I48-F52 VanDerWaalsContact O-N 3.12Å; I48-Y64 HydrophobicContact CD1-CD2 4.43Å; I48-Y64 HydrophobicContact CD1-CG 4.26Å; I48-Y64 HydrophobicContact CG1-CD2 4Å; I48-Y64 HydrophobicContact CG1-CG 3.96Å; I48-A67 HydrophobicContact CG2-CB 3.9Å; I48-W70 HydrophobicContact CB-CB 4.1Å; I48-W70 HydrophobicContact CB-CD2 4.01Å; I48-W70 HydrophobicContact CB-CG 3.72Å; I48-W70 HydrophobicContact CD1-CD2 3.96Å; I48-W70 HydrophobicContact CD1-CE3 3.91Å; I48-W70 HydrophobicContact CD1-CH2 4.3Å; I48-W70 HydrophobicContact CD1-CZ2 4.36Å; I48-W70 HydrophobicContact CD1-CZ3 4.08Å; I48-W70 HydrophobicContact CG1-CD2 4.25Å; I48-W70 HydrophobicContact CG1-CG 4.47Å; I48-W70 HydrophobicContact CG2-CG 4.34Å; I48-I307 HydrophobicContact CD1-CD1 3.57Å
49D95.7Very high95.2Very high73 Ų7353.6 Ų53.639%0.3928%0.279SS..Hα-helixtrans-64.4-48.8-178.6-57.9-13.6000110.5N47 L51 F52 Q53 I61 A67N47-D49 PolarHBondContact O-N 3.21Å; N47-D49 PolarHBondContact OD1-N 2.97Å; N47-D49 VanDerWaalsContact OD1-N 3.11Å; D49-L51 VanDerWaalsContact C-N 3.27Å; D49-L51 PolarHBondContact O-N 2.99Å; D49-F52 PolarHBondContact O-N 2.88Å; D49-Q53 WeakPolarHBondContact O-CB 3.46Å; D49-Q53 PolarHBondContact O-N 2.92Å; D49-I61 VanDerWaalsContact OD1-CD1 3.29Å; D49-I61 WeakPolarHBondContact OD1-CD1 3.48Å; D49-A67 WeakPolarHBondContact OD2-CB 3.16Å
50S95.4Very high95Very high48 Ų4855.2 Ų55.234%0.33629%0.292SS..Hα-helixtrans-63.3-32.1176.8-67.10000112.2N47 H54N47-S50 PolarHBondContact O-N 2.91Å; N47-S50 WeakPolarHBondContact OD1-CB 3.43Å; N47-S50 PolarHBondContact OD1-N 2.82Å; N47-S50 PolarHBondContact OD1-OG 2.79Å; S50-H54 WeakPolarHBondContact O-CB 3.49Å; S50-H54 PolarHBondContact O-N 2.81Å
51L97.1Very high94.8Very high0 Ų058.2 Ų58.20%031%0.308CS..Hα-helixtrans-64.3-52.7175.2-175.969.9000111.1V46 N47 I48 D49 Q53 H54 F55 V72 L74 I305 F384V46-L51 HydrophobicContact CG2-CB 3.9Å; V46-L51 HydrophobicContact CG2-CD1 3.89Å; N47-L51 WeakPolarHBondContact O-CB 3.47Å; N47-L51 PolarHBondContact O-N 2.61Å; I48-L51 HydrophobicContact CD1-CD2 4.25Å; I48-L51 WeakPolarHBondContact O-CB 3.16Å; I48-L51 PolarHBondContact O-N 3.31Å; D49-L51 VanDerWaalsContact C-N 3.27Å; D49-L51 PolarHBondContact O-N 2.99Å; L51-Q53 VanDerWaalsContact C-N 3.28Å; L51-Q53 PolarHBondContact O-N 3.47Å; L51-H54 PolarHBondContact O-N 3.05Å; L51-F55 HydrophobicContact CD1-CD2 3.9Å; L51-F55 HydrophobicContact CD1-CE2 3.64Å; L51-F55 HydrophobicContact CG-CD2 4.38Å; L51-F55 WeakPolarHBondContact O-CD2 3.4Å; L51-F55 PolarHBondContact O-N 3.2Å; L51-F55 VanDerWaalsContact O-N 3.17Å; L51-V72 HydrophobicContact CD1-CG1 4.03Å; L51-V72 HydrophobicContact CD2-CB 4.29Å; L51-V72 HydrophobicContact CD2-CG1 3.93Å; L51-V72 HydrophobicContact CD2-CG2 4.2Å; L51-L74 HydrophobicContact CD1-CD2 4.29Å; L51-I305 HydrophobicContact CD1-CD1 4.1Å; L51-F384 HydrophobicContact CD2-CD2 4.01Å; L51-F384 HydrophobicContact CD2-CE2 3.46Å; L51-F384 VanDerWaalsContact CD2-CE2 3.46Å; L51-F384 HydrophobicContact CD2-CZ 3.89Å; L51-F384 HydrophobicContact CG-CD2 4.3Å; L51-F384 HydrophobicContact CG-CE2 3.96Å; L51-F384 HydrophobicContact CG-CZ 4.05Å
52F97.3Very high94.7Very high8 Ų861.6 Ų61.64%0.03533%0.33CS..Hα-helixtrans-60.9-39.9178-83.8-83.9000111.8I48 D49 F55 N56 V57 T59 I61 Y64 I307 Q382 F384I48-F52 HydrophobicContact CD1-CD2 4.13Å; I48-F52 HydrophobicContact CD1-CE2 3.72Å; I48-F52 HydrophobicContact CG1-CD2 4.02Å; I48-F52 HydrophobicContact CG1-CE2 3.86Å; I48-F52 VanDerWaalsContact O-CD2 3.3Å; I48-F52 WeakPolarHBondContact O-CD2 3.42Å; I48-F52 PolarHBondContact O-N 2.84Å; I48-F52 VanDerWaalsContact O-N 3.12Å; D49-F52 PolarHBondContact O-N 2.88Å; F52-F55 PolarHBondContact O-N 3.13Å; F52-N56 PolarHBondContact O-N 3.49Å; F52-N56 VanDerWaalsContact O-N 3.09Å; F52-V57 HydrophobicContact CD1-CB 3.76Å; F52-V57 HydrophobicContact CD1-CG1 3.69Å; F52-V57 WeakPolarHBondContact CD1-O 3.46Å; F52-V57 HydrophobicContact CE1-CB 4.29Å; F52-V57 HydrophobicContact CE1-CG1 3.77Å; F52-V57 PolarHBondContact O-N 2.87Å; F52-T59 HydrophobicContact CD1-CG2 3.65Å; F52-T59 HydrophobicContact CE1-CG2 3.15Å; F52-T59 HydrophobicContact CE2-CG2 4.31Å; F52-T59 HydrophobicContact CG-CG2 4.43Å; F52-T59 HydrophobicContact CZ-CG2 3.53Å; F52-I61 HydrophobicContact CB-CG2 4.47Å; F52-I61 HydrophobicContact CD2-CG2 3.78Å; F52-I61 HydrophobicContact CE2-CG2 4.13Å; F52-I61 HydrophobicContact CG-CG2 4.01Å; F52-Y64 HydrophobicContact CE1-CE2 4.49Å; F52-Y64 AromaticContact CE2-CD2 3.79Å; F52-Y64 HydrophobicContact CE2-CD2 3.79Å; F52-Y64 AromaticContact CE2-CE2 3.43Å; F52-Y64 HydrophobicContact CE2-CE2 3.43Å; F52-Y64 VanDerWaalsContact CE2-CE2 3.43Å; F52-Y64 HydrophobicContact CZ-CD2 4.18Å; F52-Y64 AromaticContact CZ-CE2 3.34Å; F52-Y64 HydrophobicContact CZ-CE2 3.34Å; F52-Y64 AromaticContact CZ-CZ 3.79Å; F52-I307 HydrophobicContact CE2-CD1 4.42Å; F52-Q382 HydrophobicContact CE1-CG 3.9Å; F52-Q382 HydrophobicContact CZ-CB 4.44Å; F52-Q382 HydrophobicContact CZ-CG 3.85Å; F52-F384 AromaticContact CD1-CE1 3.76Å; F52-F384 HydrophobicContact CD1-CE1 3.76Å; F52-F384 AromaticContact CD1-CZ 3.84Å; F52-F384 HydrophobicContact CD1-CZ 3.84Å; F52-F384 HydrophobicContact CD2-CZ 4.07Å; F52-F384 AromaticContact CE1-CE1 3.78Å; F52-F384 HydrophobicContact CE1-CE1 3.78Å; F52-F384 AromaticContact CE1-CZ 3.55Å; F52-F384 HydrophobicContact CE1-CZ 3.55Å; F52-F384 AromaticContact CE2-CZ 3.83Å; F52-F384 HydrophobicContact CE2-CZ 3.83Å; F52-F384 HydrophobicContact CG-CE1 4.18Å; F52-F384 HydrophobicContact CG-CZ 4.07Å; F52-F384 HydrophobicContact CZ-CE1 4.27Å; F52-F384 AromaticContact CZ-CZ 3.55Å; F52-F384 HydrophobicContact CZ-CZ 3.55Å
53Q96Very high94.7Very high145 Ų14561.7 Ų61.768%0.67833%0.326SS*.Hα-helixtrans-63-45.5173.9-173.4-179.47.500112.1D49 L51 F55 N56D49-Q53 WeakPolarHBondContact O-CB 3.46Å; D49-Q53 PolarHBondContact O-N 2.92Å; L51-Q53 VanDerWaalsContact C-N 3.28Å; L51-Q53 PolarHBondContact O-N 3.47Å; Q53-F55 VanDerWaalsContact C-N 3.25Å; Q53-F55 PolarHBondContact O-N 3.17Å; Q53-N56 PolarHBondContact O-N 2.73Å; Q53-N56 VanDerWaalsContact O-N 3.13Å; Q53-N56 PolarHBondContact O-OD1 2.86Å
54H95.4Very high94.7Very high95 Ų9561.7 Ų61.744%0.4433%0.326SS..Hα-helixtrans-58.4-38.5-179.1-177.791.6000112.1S50 L51S50-H54 WeakPolarHBondContact O-CB 3.49Å; S50-H54 PolarHBondContact O-N 2.81Å; L51-H54 PolarHBondContact O-N 3.05Å
55F96.9Very high94.5Very high38 Ų3866.4 Ų66.417%0.16735%0.347CS..THydrogen-bonded Turntrans-94.54.8179.9-72-81.8000114.3L51 F52 Q53 V57 L74 I305 F384 Y385L51-F55 HydrophobicContact CD1-CD2 3.9Å; L51-F55 HydrophobicContact CD1-CE2 3.64Å; L51-F55 HydrophobicContact CG-CD2 4.38Å; L51-F55 WeakPolarHBondContact O-CD2 3.4Å; L51-F55 PolarHBondContact O-N 3.2Å; L51-F55 VanDerWaalsContact O-N 3.17Å; F52-F55 PolarHBondContact O-N 3.13Å; Q53-F55 VanDerWaalsContact C-N 3.25Å; Q53-F55 PolarHBondContact O-N 3.17Å; F55-V57 VanDerWaalsContact C-N 3.27Å; F55-V57 HydrophobicContact CB-CG2 4.08Å; F55-V57 PolarHBondContact O-N 3.45Å; F55-L74 HydrophobicContact CE2-CD2 4.32Å; F55-I305 HydrophobicContact CE2-CD1 3.94Å; F55-I305 HydrophobicContact CZ-CD1 3.97Å; F55-F384 HydrophobicContact CB-CB 4.39Å; F55-F384 HydrophobicContact CB-CD1 3.56Å; F55-F384 HydrophobicContact CB-CE1 4.27Å; F55-F384 HydrophobicContact CB-CG 4.37Å; F55-F384 HydrophobicContact CD1-CB 3.81Å; F55-F384 HydrophobicContact CD2-CB 3.73Å; F55-F384 AromaticContact CD2-CD1 3.78Å; F55-F384 HydrophobicContact CD2-CD1 3.78Å; F55-F384 AromaticContact CD2-CG 3.87Å; F55-F384 HydrophobicContact CD2-CG 3.87Å; F55-F384 HydrophobicContact CE1-CB 3.92Å; F55-F384 HydrophobicContact CE2-CB 3.88Å; F55-F384 HydrophobicContact CE2-CG 4.33Å; F55-F384 HydrophobicContact CG-CB 3.71Å; F55-F384 AromaticContact CG-CD1 3.72Å; F55-F384 HydrophobicContact CG-CD1 3.72Å; F55-F384 HydrophobicContact CG-CG 4.05Å; F55-F384 HydrophobicContact CZ-CB 3.97Å; F55-Y385 WeakPolarHBondContact CE1-O 3.4Å
56N96.7Very high94.3Very high148 Ų14872.1 Ų72.179%0.79137%0.365SS*.THydrogen-bonded Turntrans50.443.5-176.2-64.5-42.6000113.4F52 Q53F52-N56 PolarHBondContact O-N 3.49Å; F52-N56 VanDerWaalsContact O-N 3.09Å; Q53-N56 PolarHBondContact O-N 2.73Å; Q53-N56 VanDerWaalsContact O-N 3.13Å; Q53-N56 PolarHBondContact O-OD1 2.86Å
57V95.6Very high94.2Very high43 Ų4372 Ų7226%0.26137%0.366SS..  trans-102.7119.1177.3177.50000109.2F52 F55 F384F52-V57 HydrophobicContact CD1-CB 3.76Å; F52-V57 HydrophobicContact CD1-CG1 3.69Å; F52-V57 WeakPolarHBondContact CD1-O 3.46Å; F52-V57 HydrophobicContact CE1-CB 4.29Å; F52-V57 HydrophobicContact CE1-CG1 3.77Å; F52-V57 PolarHBondContact O-N 2.87Å; F55-V57 VanDerWaalsContact C-N 3.27Å; F55-V57 HydrophobicContact CB-CG2 4.08Å; F55-V57 PolarHBondContact O-N 3.45Å; V57-F384 HydrophobicContact CB-CD1 4.49Å; V57-F384 HydrophobicContact CB-CE1 4.03Å; V57-F384 HydrophobicContact CG1-CE1 4.42Å; V57-F384 HydrophobicContact CG2-CD1 3.88Å; V57-F384 HydrophobicContact CG2-CE1 3.92Å
58E91.1Very high94.1Very high196 Ų19676.4 Ų76.492%0.91638%0.383SS*.  trans-91.6121.4174.1-65.9-176.1178.400110.2
59T90.1Very high94.1Very high56 Ų5678.4 Ų78.434%0.34439%0.393SS..  trans-153.4168.2175.2-160.40000111F52 I61 Y64F52-T59 HydrophobicContact CD1-CG2 3.65Å; F52-T59 HydrophobicContact CE1-CG2 3.15Å; F52-T59 HydrophobicContact CE2-CG2 4.31Å; F52-T59 HydrophobicContact CG-CG2 4.43Å; F52-T59 HydrophobicContact CZ-CG2 3.53Å; T59-I61 HydrophobicContact CG2-CG2 3.91Å; T59-I61 PolarHBondContact O-N 2.84Å; T59-Y64 HydrophobicContact CG2-CE2 4.22Å
60D89.8Confident94.2Very high102 Ų10274.9 Ų74.955%0.54538%0.375SS..  trans-71.899.7166.3-179.810.6000109.6S62 K63D60-S62 VanDerWaalsContact C-N 3.27Å; D60-S62 VanDerWaalsContact CG-OG 3.25Å; D60-S62 PolarHBondContact O-N 2.95Å; D60-S62 WeakPolarHBondContact OD1-CB 3.16Å; D60-S62 PolarHBondContact OD1-N 2.88Å; D60-S62 PolarHBondContact OD1-OG 2.94Å; D60-S62 PolarHBondContact OD2-OG 2.88Å; D60-K63 WeakPolarHBondContact O-CE 3.34Å; D60-K63 WeakPolarHBondContact O-CG 3.37Å
61I89.2Confident94.3Very high63 Ų6374.6 Ų74.632%0.32337%0.369SS..G310 helixtrans-77.5-10.4179.655.2163.8000113.2D49 F52 T59 K63 Y64D49-I61 VanDerWaalsContact OD1-CD1 3.29Å; D49-I61 WeakPolarHBondContact OD1-CD1 3.48Å; F52-I61 HydrophobicContact CB-CG2 4.47Å; F52-I61 HydrophobicContact CD2-CG2 3.78Å; F52-I61 HydrophobicContact CE2-CG2 4.13Å; F52-I61 HydrophobicContact CG-CG2 4.01Å; T59-I61 HydrophobicContact CG2-CG2 3.91Å; T59-I61 PolarHBondContact O-N 2.84Å; I61-K63 PolarHBondContact O-N 2.95Å; I61-K63 VanDerWaalsContact O-N 3.17Å; I61-Y64 HydrophobicContact CB-CD2 4.36Å; I61-Y64 PolarHBondContact O-N 2.84Å
62S89Confident94.4Very high85 Ų8574.6 Ų74.659%0.59437%0.37SS*.G310 helixtrans-63-26.5-175.9720000113.2D60 Y64 H65D60-S62 VanDerWaalsContact C-N 3.27Å; D60-S62 VanDerWaalsContact CG-OG 3.25Å; D60-S62 PolarHBondContact O-N 2.95Å; D60-S62 WeakPolarHBondContact OD1-CB 3.16Å; D60-S62 PolarHBondContact OD1-N 2.88Å; D60-S62 PolarHBondContact OD1-OG 2.94Å; D60-S62 PolarHBondContact OD2-OG 2.88Å; S62-Y64 PolarHBondContact O-N 3.3Å; S62-H65 PolarHBondContact O-N 3.27Å
63K93.5Very high94.4Very high81 Ų8174.3 Ų74.335%0.35237%0.368SS..G310 helixtrans-66.7-18.1174.968.7-174173.1165.80114D60 I61 H65 E381D60-K63 WeakPolarHBondContact O-CE 3.34Å; D60-K63 WeakPolarHBondContact O-CG 3.37Å; I61-K63 PolarHBondContact O-N 2.95Å; I61-K63 VanDerWaalsContact O-N 3.17Å; K63-H65 VanDerWaalsContact C-N 3.27Å; K63-H65 PolarHBondContact O-N 3.31Å; K63-E381 WeakPolarHBondContact CE-OE1 3.41Å; K63-E381 IonicContact NZ-OE1 2.66Å; K63-E381 PolarHBondContact NZ-OE1 3.33Å
64Y95.2Very high94.5Very high0 Ų068 Ų680%034%0.339CS..G310 helixtrans-89.215.6178.8-58.4-64.8000113.3I48 F52 T59 I61 S62 W70 I307 F352 E381I48-Y64 HydrophobicContact CD1-CD2 4.43Å; I48-Y64 HydrophobicContact CD1-CG 4.26Å; I48-Y64 HydrophobicContact CG1-CD2 4Å; I48-Y64 HydrophobicContact CG1-CG 3.96Å; F52-Y64 HydrophobicContact CE1-CE2 4.49Å; F52-Y64 AromaticContact CE2-CD2 3.79Å; F52-Y64 HydrophobicContact CE2-CD2 3.79Å; F52-Y64 AromaticContact CE2-CE2 3.43Å; F52-Y64 HydrophobicContact CE2-CE2 3.43Å; F52-Y64 VanDerWaalsContact CE2-CE2 3.43Å; F52-Y64 HydrophobicContact CZ-CD2 4.18Å; F52-Y64 AromaticContact CZ-CE2 3.34Å; F52-Y64 HydrophobicContact CZ-CE2 3.34Å; F52-Y64 AromaticContact CZ-CZ 3.79Å; T59-Y64 HydrophobicContact CG2-CE2 4.22Å; I61-Y64 HydrophobicContact CB-CD2 4.36Å; I61-Y64 PolarHBondContact O-N 2.84Å; S62-Y64 PolarHBondContact O-N 3.3Å; Y64-W70 HydrophobicContact CD1-CH2 4.16Å; Y64-W70 AromaticContact CD1-CZ2 3.94Å; Y64-W70 HydrophobicContact CD1-CZ2 3.94Å; Y64-W70 HydrophobicContact CG-CZ2 4.25Å; Y64-W70 PolarHBondContact O-NE1 3.28Å; Y64-I307 HydrophobicContact CD1-CD1 4.4Å; Y64-I307 HydrophobicContact CD1-CG2 4.4Å; Y64-I307 HydrophobicContact CE1-CD1 3.99Å; Y64-I307 HydrophobicContact CE1-CG2 3.95Å; Y64-F352 HydrophobicContact CD1-CD1 4.45Å; Y64-F352 AromaticContact CD1-CE1 3.72Å; Y64-F352 HydrophobicContact CD1-CE1 3.72Å; Y64-F352 HydrophobicContact CD1-CZ 4.08Å; Y64-F352 HydrophobicContact CE1-CE1 4.14Å; Y64-E381 HydrophobicContact CE1-CG 3.85Å
65H92.3Very high94.6Very high111 Ų11163.5 Ų63.551%0.51432%0.319SS..  trans61.3-143.7-179.2-50.6171.6000112.1S62 K63 P349 F352S62-H65 PolarHBondContact O-N 3.27Å; K63-H65 VanDerWaalsContact C-N 3.27Å; K63-H65 PolarHBondContact O-N 3.31Å; H65-P349 HydrophobicContact CB-CG 4.22Å; H65-F352 AromaticContact CE1-CE2 3.96Å
66R93.4Very high94.6Very high144 Ų14462 Ų6254%0.54331%0.313SS..  trans-88.9131.7-172.3-52.5175.9-60-168.81.2110.2K68 D69R66-K68 VanDerWaalsContact C-N 3.25Å; R66-K68 HydrophobicContact CB-CG 4.19Å; R66-K68 PolarHBondContact O-N 2.87Å; R66-K68 VanDerWaalsContact O-N 3.14Å; R66-D69 IonicContact CZ-OD1 3.51Å; R66-D69 IonicContact CZ-OD2 2.7Å; R66-D69 IonicContact NE-OD1 3.46Å; R66-D69 IonicContact NE-OD2 2.75Å; R66-D69 PolarHBondContact NE-OD2 2.91Å; R66-D69 VanDerWaalsContact NH2-CG 3.25Å; R66-D69 IonicContact NH2-OD1 3.13Å; R66-D69 PolarHBondContact NH2-OD1 2.71Å; R66-D69 IonicContact NH2-OD2 3.75Å; R66-D69 PolarHBondContact NH2-OD2 3.24Å; R66-D69 WeakPolarHBondContact O-CB 3.49Å; R66-D69 PolarHBondContact O-N 2.92Å
67A94.7Very high94.7Very high20 Ų2055 Ų5517%0.16528%0.275CS..G310 helixtrans-54.1-38.1179.500000114.2N47 I48 D49 D69 W70N47-A67 HydrophobicContact CB-CB 4.32Å; N47-A67 WeakPolarHBondContact CB-O 3.17Å; I48-A67 HydrophobicContact CG2-CB 3.9Å; D49-A67 WeakPolarHBondContact OD2-CB 3.16Å; A67-D69 PolarHBondContact O-N 3.19Å; A67-D69 VanDerWaalsContact O-N 3.08Å; A67-W70 WeakPolarHBondContact O-CB 3.34Å; A67-W70 PolarHBondContact O-N 2.9Å
68K94.6Very high94.8Very high147 Ų14753 Ų5364%0.63926%0.263SS*.G310 helixtrans-62.4-15.3179.171.2175.5-173174.50115.4R66 W70R66-K68 VanDerWaalsContact C-N 3.25Å; R66-K68 HydrophobicContact CB-CG 4.19Å; R66-K68 PolarHBondContact O-N 2.87Å; R66-K68 VanDerWaalsContact O-N 3.14Å; K68-W70 VanDerWaalsContact C-N 3.28Å
69D96.4Very high95.1Very high43 Ų4343.6 Ų43.623%0.2322%0.219CC..G310 helixtrans-89.92.9178.2-59.5-30.6000111.6R66 A67 C348 P349R66-D69 IonicContact CZ-OD1 3.51Å; R66-D69 IonicContact CZ-OD2 2.7Å; R66-D69 IonicContact NE-OD1 3.46Å; R66-D69 IonicContact NE-OD2 2.75Å; R66-D69 PolarHBondContact NE-OD2 2.91Å; R66-D69 VanDerWaalsContact NH2-CG 3.25Å; R66-D69 IonicContact NH2-OD1 3.13Å; R66-D69 PolarHBondContact NH2-OD1 2.71Å; R66-D69 IonicContact NH2-OD2 3.75Å; R66-D69 PolarHBondContact NH2-OD2 3.24Å; R66-D69 WeakPolarHBondContact O-CB 3.49Å; R66-D69 PolarHBondContact O-N 2.92Å; A67-D69 PolarHBondContact O-N 3.19Å; A67-D69 VanDerWaalsContact O-N 3.08Å; D69-C348 CarbonylContact O-C 3.52Å; D69-C348 VanDerWaalsContact O-C 3.29Å; D69-C348 VanDerWaalsContact O-CA 3.22Å; D69-C348 WeakPolarHBondContact O-CA 2.99Å; D69-P349 HydrophobicContact CB-CG 3.86Å
70W98.2Very high95.3Very high0 Ų041.3 Ų41.30%020%0.204CC..  trans-113.7133.6178-66.581.9000111.5N47 I48 Y64 A67 K68 V72 I307 T347 C348 P349 F352 V354N47-W70 WeakPolarHBondContact CA-O 3.31Å; I48-W70 HydrophobicContact CB-CB 4.1Å; I48-W70 HydrophobicContact CB-CD2 4.01Å; I48-W70 HydrophobicContact CB-CG 3.72Å; I48-W70 HydrophobicContact CD1-CD2 3.96Å; I48-W70 HydrophobicContact CD1-CE3 3.91Å; I48-W70 HydrophobicContact CD1-CH2 4.3Å; I48-W70 HydrophobicContact CD1-CZ2 4.36Å; I48-W70 HydrophobicContact CD1-CZ3 4.08Å; I48-W70 HydrophobicContact CG1-CD2 4.25Å; I48-W70 HydrophobicContact CG1-CG 4.47Å; I48-W70 HydrophobicContact CG2-CG 4.34Å; Y64-W70 HydrophobicContact CD1-CH2 4.16Å; Y64-W70 AromaticContact CD1-CZ2 3.94Å; Y64-W70 HydrophobicContact CD1-CZ2 3.94Å; Y64-W70 HydrophobicContact CG-CZ2 4.25Å; Y64-W70 PolarHBondContact O-NE1 3.28Å; A67-W70 WeakPolarHBondContact O-CB 3.34Å; A67-W70 PolarHBondContact O-N 2.9Å; K68-W70 VanDerWaalsContact C-N 3.28Å; W70-V72 HydrophobicContact CE3-CG2 3.81Å; W70-I307 HydrophobicContact CH2-CD1 4.34Å; W70-I307 HydrophobicContact CH2-CG2 3.86Å; W70-I307 HydrophobicContact CZ3-CD1 4.26Å; W70-I307 HydrophobicContact CZ3-CG1 4.37Å; W70-I307 HydrophobicContact CZ3-CG2 4.31Å; W70-T347 CarbonylContact C-O 3.59Å; W70-T347 WeakPolarHBondContact CA-O 3.32Å; W70-C348 HydrophobicContact CD2-CB 3.97Å; W70-C348 HydrophobicContact CE3-CB 3.48Å; W70-C348 VanDerWaalsContact CE3-CB 3.48Å; W70-C348 HydrophobicContact CH2-CB 4.02Å; W70-C348 HydrophobicContact CZ2-CB 4.44Å; W70-C348 HydrophobicContact CZ3-CB 3.53Å; W70-P349 HydrophobicContact CZ2-CG 4.21Å; W70-P349 VanDerWaalsContact NE1-CD 3.31Å; W70-F352 HydrophobicContact CH2-CB 3.77Å; W70-F352 AromaticContact CH2-CD1 3.64Å; W70-F352 HydrophobicContact CH2-CD1 3.64Å; W70-F352 HydrophobicContact CH2-CD2 4.33Å; W70-F352 HydrophobicContact CH2-CE1 4.29Å; W70-F352 AromaticContact CH2-CG 3.65Å; W70-F352 HydrophobicContact CH2-CG 3.65Å; W70-F352 HydrophobicContact CZ2-CB 4.21Å; W70-F352 AromaticContact CZ2-CD1 3.96Å; W70-F352 HydrophobicContact CZ2-CD1 3.96Å; W70-F352 AromaticContact CZ2-CD2 3.99Å; W70-F352 HydrophobicContact CZ2-CD2 3.99Å; W70-F352 HydrophobicContact CZ2-CE1 4.31Å; W70-F352 HydrophobicContact CZ2-CE2 4.33Å; W70-F352 AromaticContact CZ2-CG 3.78Å; W70-F352 HydrophobicContact CZ2-CG 3.78Å; W70-F352 HydrophobicContact CZ2-CZ 4.48Å; W70-F352 HydrophobicContact CZ3-CB 4.5Å; W70-V354 HydrophobicContact CE3-CG2 4.3Å; W70-V354 HydrophobicContact CZ3-CG2 3.94Å
71N98.1Very high95.6Very high41 Ų4136.4 Ų36.422%0.21918%0.179CC..  trans-139.587170.5-56.9-75.6000107.5Y233 N346 T347N71-Y233 WeakPolarHBondContact CB-O 3.43Å; N71-N346 PolarHBondContact ND2-O 3.22Å; N71-T347 CarbonylContact C-O 3.42Å; N71-T347 PolarHBondContact N-O 3.05Å; N71-T347 WeakPolarHBondContact O-CB 3.29Å
72V98.3Very high95.7Very high1 Ų134.8 Ų34.81%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-96.9114.9-176179.20000109.2S45 V46 L51 W70 I305 V354S45-V72 CarbonylContact C-O 3.54Å; S45-V72 WeakPolarHBondContact CA-O 3.3Å; V46-V72 HydrophobicContact CG2-CB 4.44Å; V46-V72 WeakPolarHBondContact CG2-O 3.48Å; V46-V72 PolarHBondContact N-O 3.5Å; V46-V72 PolarHBondContact O-N 3.3Å; L51-V72 HydrophobicContact CD1-CG1 4.03Å; L51-V72 HydrophobicContact CD2-CB 4.29Å; L51-V72 HydrophobicContact CD2-CG1 3.93Å; L51-V72 HydrophobicContact CD2-CG2 4.2Å; W70-V72 HydrophobicContact CE3-CG2 3.81Å; V72-I305 HydrophobicContact CG1-CG2 3.75Å; V72-V354 HydrophobicContact CG1-CG1 3.93Å; V72-V354 HydrophobicContact CG2-CG1 4.5Å; V72-V354 HydrophobicContact CG2-CG2 4.08Å
73D98.4Very high96Very high2 Ų230.8 Ų30.81%0.01114%0.142CC..EExtended strand (participates in β ladder)trans-67.2137.7173.7-56.8-32.4000111.1T44 S45 I75 Y230 L235 H356T44-D73 WeakPolarHBondContact O-CA 3.33Å; S45-D73 PolarHBondContact OG-OD1 2.64Å; D73-I75 VanDerWaalsContact C-N 3.32Å; D73-Y230 VanDerWaalsContact CG-OH 3.31Å; D73-Y230 WeakPolarHBondContact OD2-CE2 3.45Å; D73-Y230 PolarHBondContact OD2-OH 3.29Å; D73-L235 HydrophobicContact CB-CD1 4.47Å; D73-L235 PolarHBondContact OD1-N 3.31Å; D73-L235 VanDerWaalsContact OD2-CD1 3.29Å; D73-L235 WeakPolarHBondContact OD2-CD1 3.42Å; D73-L235 VanDerWaalsContact OD2-CG 3.26Å; D73-L235 WeakPolarHBondContact OD2-CG 3.3Å; D73-H356 PolarHBondContact O-CE1 3.08Å; D73-H356 PolarHBondContact O-NE2 2.99Å
74L97.9Very high96.1Very high12 Ų1230.7 Ų30.76%0.06314%0.142CC..SBendtrans-70.4-33.4169.3-63-174000111.7D42 T44 V46 L51 F55 I305D42-L74 WeakPolarHBondContact O-CB 3.11Å; T44-L74 HydrophobicContact CG2-CD1 3.68Å; T44-L74 HydrophobicContact CG2-CG 4.01Å; T44-L74 PolarHBondContact O-N 3.39Å; V46-L74 HydrophobicContact CG2-CD2 4.02Å; L51-L74 HydrophobicContact CD1-CD2 4.29Å; F55-L74 HydrophobicContact CE2-CD2 4.32Å; L74-I305 HydrophobicContact CD2-CD1 4.34Å
75I97.8Very high96.1Very high1 Ų130.8 Ų30.81%0.00514%0.143CC..SBendtrans-128.1110.2170.9-62.5-179.3000108.8D42 D73 K77 L235 Y408D42-I75 HydrophobicContact CB-CD1 3.77Å; D42-I75 WeakPolarHBondContact O-CG1 3.27Å; D73-I75 VanDerWaalsContact C-N 3.32Å; I75-K77 HydrophobicContact CG2-CD 4.44Å; I75-K77 HydrophobicContact CG2-CG 4.31Å; I75-L235 WeakPolarHBondContact O-CD1 3.33Å; I75-Y408 HydrophobicContact CD1-CD2 4.22Å; I75-Y408 HydrophobicContact CD1-CG 4.32Å
76S96.8Very high96.2Very high7 Ų726 Ų265%0.04912%0.121CC..  trans-88.4133.3176.4175.50000112T339 H356S76-T339 VanDerWaalsContact CB-OG1 3.24Å; S76-T339 WeakPolarHBondContact CB-OG1 3.37Å; S76-T339 WeakPolarHBondContact OG-CB 3.23Å; S76-T339 PolarHBondContact OG-OG1 3.08Å; S76-H356 WeakPolarHBondContact CB-ND1 3.26Å
77K97.8Very high96.3Very high0 Ų021.1 Ų21.10%010%0.104CC..  trans-148150.7177.2-69.8-179.4178.5-68.40109.7I75 L235 D409 S411 T412 H413 F414I75-K77 HydrophobicContact CG2-CD 4.44Å; I75-K77 HydrophobicContact CG2-CG 4.31Å; K77-L235 HydrophobicContact CB-CD1 4.26Å; K77-L235 VanDerWaalsContact N-CD1 3.26Å; K77-L235 WeakPolarHBondContact O-CD1 3.39Å; K77-L235 WeakPolarHBondContact O-CD2 3.16Å; K77-D409 PolarHBondContact NZ-O 2.8Å; K77-D409 IonicContact NZ-OD1 3.51Å; K77-D409 PolarHBondContact NZ-OD1 2.9Å; K77-S411 PolarHBondContact NZ-O 3.43Å; K77-S411 PolarHBondContact NZ-OG 3.48Å; K77-T412 CarbonylContact C-O 3.5Å; K77-T412 WeakPolarHBondContact CA-O 3.49Å; K77-H413 PolarHBondContact NZ-O 3.05Å; K77-F414 HydrophobicContact CB-CD1 4.3Å; K77-F414 HydrophobicContact CB-CD2 3.92Å; K77-F414 HydrophobicContact CB-CE1 3.94Å; K77-F414 HydrophobicContact CB-CE2 3.52Å; K77-F414 HydrophobicContact CB-CG 4.31Å; K77-F414 HydrophobicContact CB-CZ 3.56Å; K77-F414 HydrophobicContact CD-CD1 3.84Å; K77-F414 HydrophobicContact CD-CE1 3.73Å; K77-F414 HydrophobicContact CD-CG 4.43Å; K77-F414 HydrophobicContact CD-CZ 4.24Å; K77-F414 HydrophobicContact CG-CE1 4.44Å; K77-F414 HydrophobicContact CG-CZ 4.47Å
78F97.8Very high96.3Very high0 Ų020.1 Ų20.10%010%0.097CC..BIsolated β-bridgetrans-107.7147.3176-64.2-40.4000112.1V103 Y228 Y230 T321 Q322 T339 V341 T412 H413 F414F78-V103 HydrophobicContact CD1-CG2 3.57Å; F78-V103 HydrophobicContact CD2-CG1 4.36Å; F78-V103 HydrophobicContact CD2-CG2 4.1Å; F78-V103 HydrophobicContact CE1-CG2 3.64Å; F78-V103 HydrophobicContact CE2-CG1 3.89Å; F78-V103 HydrophobicContact CE2-CG2 4.13Å; F78-V103 HydrophobicContact CG-CG2 3.84Å; F78-V103 HydrophobicContact CZ-CG1 4.01Å; F78-V103 HydrophobicContact CZ-CG2 3.92Å; F78-Y228 HydrophobicContact CB-CD1 3.9Å; F78-Y228 HydrophobicContact CB-CG 3.96Å; F78-Y228 HydrophobicContact CD2-CG 4.44Å; F78-Y230 AromaticContact CD1-CD2 3.59Å; F78-Y230 HydrophobicContact CD1-CD2 3.59Å; F78-Y230 HydrophobicContact CD1-CE2 4.47Å; F78-Y230 HydrophobicContact CD1-CG 4.17Å; F78-Y230 AromaticContact CE1-CD2 3.64Å; F78-Y230 HydrophobicContact CE1-CD2 3.64Å; F78-Y230 HydrophobicContact CE1-CE2 4.29Å; F78-Y230 HydrophobicContact CE1-CG 4.11Å; F78-T321 WeakPolarHBondContact CE2-O 3.13Å; F78-Q322 HydrophobicContact CD2-CB 3.94Å; F78-Q322 HydrophobicContact CD2-CG 4.34Å; F78-Q322 HydrophobicContact CE2-CB 3.84Å; F78-Q322 HydrophobicContact CE2-CG 4.49Å; F78-T339 HydrophobicContact CD2-CG2 4.1Å; F78-T339 HydrophobicContact CE2-CG2 3.71Å; F78-T339 HydrophobicContact CZ-CG2 4.01Å; F78-V341 HydrophobicContact CE1-CG1 3.83Å; F78-V341 HydrophobicContact CZ-CG1 4.1Å; F78-T412 PolarHBondContact N-O 3.4Å; F78-H413 WeakPolarHBondContact O-CA 3.35Å; F78-F414 WeakPolarHBondContact O-CD2 2.98Å
79L97.5Very high96.4Very high0 Ų013.2 Ų13.20%07%0.067CC..EExtended strand (participates in β ladder)trans-87.7123.8175.9-64.483.3000108.6A81 L85 V86 L89 F100 Y228 L229 L235 L238 F414L79-A81 PolarHBondContact O-N 3.01Å; L79-L85 HydrophobicContact CD2-CB 4.45Å; L79-L85 HydrophobicContact CD2-CD2 3.69Å; L79-L85 HydrophobicContact CD2-CG 3.84Å; L79-L85 HydrophobicContact CG-CD2 3.77Å; L79-L85 HydrophobicContact CG-CG 4.35Å; L79-V86 HydrophobicContact CB-CG2 4.16Å; L79-V86 HydrophobicContact CD2-CG2 4.27Å; L79-L89 HydrophobicContact CD2-CD1 3.56Å; L79-F100 HydrophobicContact CD1-CE1 4.25Å; L79-F100 HydrophobicContact CD2-CE1 3.76Å; L79-F100 HydrophobicContact CD2-CZ 4.32Å; L79-Y228 CarbonylContact O-C 3.52Å; L79-Y228 VanDerWaalsContact O-CA 3.3Å; L79-Y228 WeakPolarHBondContact O-CA 3.28Å; L79-L229 HydrophobicContact CB-CB 4.26Å; L79-L229 PolarHBondContact N-O 2.72Å; L79-L229 PolarHBondContact O-N 3.33Å; L79-L235 HydrophobicContact CD1-CD2 4.21Å; L79-L238 HydrophobicContact CD1-CD1 4.47Å; L79-F414 HydrophobicContact CD1-CD2 4.23Å; L79-F414 HydrophobicContact CD1-CE2 3.89Å; L79-F414 HydrophobicContact CG-CD2 3.97Å; L79-F414 HydrophobicContact CG-CE2 4.11Å
80M95.7Very high96.3Very high7 Ų714.2 Ų14.23%0.0347%0.074CC..EExtended strand (participates in β ladder)trans-69.7126.7168.2-173.5171.7-7000109.2N82 G83 V86 L194 L215 Y216 S219 Y228M80-N82 VanDerWaalsContact C-N 3.28Å; M80-N82 PolarHBondContact O-N 3.02Å; M80-N82 VanDerWaalsContact O-N 3.17Å; M80-G83 WeakPolarHBondContact O-CA 2.99Å; M80-G83 PolarHBondContact O-N 2.81Å; M80-V86 VanDerWaalsContact O-CG2 3.28Å; M80-V86 WeakPolarHBondContact O-CG2 3.02Å; M80-L194 HydrophobicContact CE-CD1 3.36Å; M80-L194 HydrophobicContact CE-CG 4.43Å; M80-L215 HydrophobicContact SD-CD1 4.36Å; M80-L215 HydrophobicContact SD-CD2 3.47Å; M80-L215 WeakPolarHBondContact SD-CD2 3.34Å; M80-L215 HydrophobicContact SD-CG 3.46Å; M80-L215 WeakPolarHBondContact SD-CG 3.46Å; M80-Y216 HydrophobicContact CE-CD2 4.33Å; M80-S219 WeakPolarHBondContact CG-OG 3.27Å; M80-Y228 HydrophobicContact CB-CE1 4.49Å; M80-Y228 HydrophobicContact CE-CE1 4.17Å
81A94.3Very high96.1Very high0 Ų018 Ų180%09%0.091CC..THydrogen-bonded Turntrans-56.5-34.6-169.100000114.9L79 V86 R222 F223 P227 L229L79-A81 PolarHBondContact O-N 3.01Å; A81-V86 WeakPolarHBondContact O-CG1 3.49Å; A81-R222 PolarHBondContact O-NH1 2.75Å; A81-F223 HydrophobicContact CB-CD2 3.41Å; A81-F223 VanDerWaalsContact CB-CD2 3.41Å; A81-F223 HydrophobicContact CB-CE2 3.5Å; A81-F223 VanDerWaalsContact CB-CE2 3.5Å; A81-P227 WeakPolarHBondContact CB-O 3.41Å; A81-P227 PolarHBondContact N-O 2.86Å; A81-L229 HydrophobicContact CB-CD1 4.29Å; A81-L229 HydrophobicContact CB-CG 4.23Å
82N93Very high95.8Very high28 Ų2816.4 Ų16.415%0.158%0.083CC..THydrogen-bonded Turntrans-107.26.8172.6-72.912.2000112.8M80 Q87 L215 S219 R222M80-N82 VanDerWaalsContact C-N 3.28Å; M80-N82 PolarHBondContact O-N 3.02Å; M80-N82 VanDerWaalsContact O-N 3.17Å; N82-Q87 PolarHBondContact O-NE2 3.21Å; N82-L215 HydrophobicContact CB-CD1 3.74Å; N82-L215 VanDerWaalsContact O-CD1 3.31Å; N82-L215 WeakPolarHBondContact O-CD1 3.31Å; N82-S219 WeakPolarHBondContact CB-OG 3.42Å; N82-S219 PolarHBondContact N-OG 2.97Å; N82-R222 WeakPolarHBondContact OD1-CD 3.29Å; N82-R222 PolarHBondContact OD1-NH1 3.45Å; N82-R222 VanDerWaalsContact OD1-NH1 3.12Å
83G94.2Very high95.6Very high1 Ų117.1 Ų17.11%0.019%0.091CC..SBendtrans-70.8172.2-178.700000113.5M80 L85 V86 Q87M80-G83 WeakPolarHBondContact O-CA 2.99Å; M80-G83 PolarHBondContact O-N 2.81Å; G83-L85 VanDerWaalsContact C-N 3.31Å; G83-L85 PolarHBondContact O-N 3.01Å; G83-V86 PolarHBondContact O-N 2.91Å; G83-Q87 WeakPolarHBondContact O-CG 3.4Å; G83-Q87 PolarHBondContact O-N 3.33Å
84K95Very high95.4Very high80 Ų8017 Ų1735%0.3489%0.091SC..Hα-helixtrans-60.5-37.6-172.6-66.9169.6179.1176.10112.8V86 Q87 I88 C418 L422 L435K84-V86 PolarHBondContact O-N 2.83Å; K84-Q87 WeakPolarHBondContact O-CB 3.22Å; K84-Q87 PolarHBondContact O-N 3.18Å; K84-I88 WeakPolarHBondContact O-CG1 3.3Å; K84-I88 PolarHBondContact O-N 3.14Å; K84-C418 HydrophobicContact CB-CB 3.74Å; K84-C418 HydrophobicContact CD-CB 4.3Å; K84-L422 HydrophobicContact CD-CD1 3.83Å; K84-L422 HydrophobicContact CG-CD1 4.44Å; K84-L435 HydrophobicContact CB-CD1 4.38Å; K84-L435 HydrophobicContact CG-CD1 4.11Å
85L96.2Very high95.2Very high2 Ų219.2 Ų19.21%0.0111%0.105CC..Hα-helixtrans-61.5-46.9179.1-17248.5000111.2L14 I18 L79 G83 Q87 I88 L89 L238 F414 C418L14-L85 HydrophobicContact CD2-CD2 4.16Å; I18-L85 HydrophobicContact CD1-CD1 3.96Å; L79-L85 HydrophobicContact CD2-CB 4.45Å; L79-L85 HydrophobicContact CD2-CD2 3.69Å; L79-L85 HydrophobicContact CD2-CG 3.84Å; L79-L85 HydrophobicContact CG-CD2 3.77Å; L79-L85 HydrophobicContact CG-CG 4.35Å; G83-L85 VanDerWaalsContact C-N 3.31Å; G83-L85 PolarHBondContact O-N 3.01Å; L85-Q87 VanDerWaalsContact C-N 3.27Å; L85-Q87 PolarHBondContact O-N 2.62Å; L85-I88 WeakPolarHBondContact O-CB 3.35Å; L85-I88 PolarHBondContact O-N 3.1Å; L85-I88 VanDerWaalsContact O-N 3.13Å; L85-L89 HydrophobicContact CD1-CG 4.38Å; L85-L89 HydrophobicContact CG-CD1 4.39Å; L85-L89 HydrophobicContact CG-CG 4.42Å; L85-L89 VanDerWaalsContact O-CG 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.32Å; L85-L238 HydrophobicContact CD2-CD1 4.37Å; L85-F414 HydrophobicContact CB-CB 4.38Å; L85-F414 HydrophobicContact CD2-CB 3.77Å; L85-F414 HydrophobicContact CD2-CD1 4Å; L85-F414 HydrophobicContact CD2-CD2 3.5Å; L85-F414 HydrophobicContact CD2-CE1 4.44Å; L85-F414 HydrophobicContact CD2-CE2 3.99Å; L85-F414 HydrophobicContact CD2-CG 3.48Å; L85-F414 VanDerWaalsContact CD2-CG 3.48Å; L85-F414 HydrophobicContact CD2-CZ 4.42Å; L85-C418 VanDerWaalsContact CA-SG 3.56Å; L85-C418 WeakPolarHBondContact CB-SG 3.14Å; L85-C418 PolarHBondContact N-SG 3.46Å
86V95.3Very high94.9Very high11 Ų1129.4 Ų29.47%0.06714%0.143CC..Hα-helixtrans-62.4-37.8178.2177.90000111.2L79 M80 A81 G83 K84 L89 V90 L229 L438L79-V86 HydrophobicContact CB-CG2 4.16Å; L79-V86 HydrophobicContact CD2-CG2 4.27Å; M80-V86 VanDerWaalsContact O-CG2 3.28Å; M80-V86 WeakPolarHBondContact O-CG2 3.02Å; A81-V86 WeakPolarHBondContact O-CG1 3.49Å; G83-V86 PolarHBondContact O-N 2.91Å; K84-V86 PolarHBondContact O-N 2.83Å; V86-L89 PolarHBondContact O-N 2.87Å; V86-V90 HydrophobicContact CG1-CG2 4.41Å; V86-V90 WeakPolarHBondContact O-CG2 3.39Å; V86-V90 PolarHBondContact O-N 2.77Å; V86-L229 HydrophobicContact CG2-CD1 4.31Å; V86-L438 HydrophobicContact CG1-CD1 4.34Å
87Q94.4Very high94.6Very high40 Ų4034 Ų3419%0.18716%0.16CC..Hα-helixtrans-60.3-45.7173.8-64.1174.922.800111.6N82 G83 K84 L85 V90 H91 L435 L438N82-Q87 PolarHBondContact O-NE2 3.21Å; G83-Q87 WeakPolarHBondContact O-CG 3.4Å; G83-Q87 PolarHBondContact O-N 3.33Å; K84-Q87 WeakPolarHBondContact O-CB 3.22Å; K84-Q87 PolarHBondContact O-N 3.18Å; L85-Q87 VanDerWaalsContact C-N 3.27Å; L85-Q87 PolarHBondContact O-N 2.62Å; Q87-V90 PolarHBondContact O-N 2.94Å; Q87-H91 VanDerWaalsContact O-CB 3.29Å; Q87-H91 WeakPolarHBondContact O-CB 3.48Å; Q87-H91 PolarHBondContact O-N 2.95Å; Q87-L435 HydrophobicContact CB-CD2 3.87Å; Q87-L438 HydrophobicContact CB-CD1 4.46Å; Q87-L438 HydrophobicContact CG-CD1 3.41Å; Q87-L438 VanDerWaalsContact CG-CD1 3.41Å; Q87-L438 HydrophobicContact CG-CG 3.75Å
88I95.6Very high94.5Very high0 Ų034.7 Ų34.70%016%0.164CC..Hα-helixtrans-61.7-45.9175.3-65.3166.1000110.7I18 K84 L85 V90 H91 T92 F242 L422 F433 L435I18-I88 HydrophobicContact CG2-CG2 3.95Å; K84-I88 WeakPolarHBondContact O-CG1 3.3Å; K84-I88 PolarHBondContact O-N 3.14Å; L85-I88 WeakPolarHBondContact O-CB 3.35Å; L85-I88 PolarHBondContact O-N 3.1Å; L85-I88 VanDerWaalsContact O-N 3.13Å; I88-V90 VanDerWaalsContact C-N 3.31Å; I88-V90 PolarHBondContact O-N 2.75Å; I88-H91 PolarHBondContact O-N 3.38Å; I88-T92 HydrophobicContact CG2-CG2 4.21Å; I88-T92 WeakPolarHBondContact O-CB 3.35Å; I88-T92 WeakPolarHBondContact O-CG2 3.14Å; I88-T92 PolarHBondContact O-N 3.01Å; I88-T92 PolarHBondContact O-OG1 3.17Å; I88-F242 HydrophobicContact CG2-CE1 4.34Å; I88-F242 HydrophobicContact CG2-CZ 4.02Å; I88-L422 HydrophobicContact CD1-CD2 4.41Å; I88-F433 HydrophobicContact CG1-CE1 4.36Å; I88-L435 HydrophobicContact CG1-CD2 3.68Å
89L95.6Very high94.5Very high2 Ų241.4 Ų41.41%0.0120%0.195CC..Hα-helixtrans-59.4-42.9180-65.4173.9000111.6L79 L85 V86 T92 G93 V94 T95 L98 F100 L238 F242L79-L89 HydrophobicContact CD2-CD1 3.56Å; L85-L89 HydrophobicContact CD1-CG 4.38Å; L85-L89 HydrophobicContact CG-CD1 4.39Å; L85-L89 HydrophobicContact CG-CG 4.42Å; L85-L89 VanDerWaalsContact O-CG 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.32Å; V86-L89 PolarHBondContact O-N 2.87Å; L89-T92 PolarHBondContact O-OG1 2.98Å; L89-G93 PolarHBondContact O-N 3.13Å; L89-G93 VanDerWaalsContact O-N 3.14Å; L89-V94 HydrophobicContact CB-CG2 3.86Å; L89-V94 HydrophobicContact CD2-CG2 3.29Å; L89-V94 HydrophobicContact CG-CG2 4.16Å; L89-V94 WeakPolarHBondContact O-CG2 3.37Å; L89-V94 PolarHBondContact O-N 2.86Å; L89-T95 HydrophobicContact CB-CG2 3.82Å; L89-L98 HydrophobicContact CD2-CD1 4.23Å; L89-F100 HydrophobicContact CD1-CE1 4.28Å; L89-F100 HydrophobicContact CD1-CE2 4.26Å; L89-F100 HydrophobicContact CD1-CZ 3.58Å; L89-L238 HydrophobicContact CD1-CD2 4.5Å; L89-L238 HydrophobicContact CD2-CD2 4.3Å; L89-F242 HydrophobicContact CD2-CE2 3.62Å; L89-F242 HydrophobicContact CD2-CZ 3.66Å
90V94.2Very high94.4Very high63 Ų6344 Ų4438%0.38221%0.207SC..Hα-helixtrans-69.4-46178171.10000111.2V86 Q87 I88 T92 G93 T95 L438V86-V90 HydrophobicContact CG1-CG2 4.41Å; V86-V90 WeakPolarHBondContact O-CG2 3.39Å; V86-V90 PolarHBondContact O-N 2.77Å; Q87-V90 PolarHBondContact O-N 2.94Å; I88-V90 VanDerWaalsContact C-N 3.31Å; I88-V90 PolarHBondContact O-N 2.75Å; V90-T92 VanDerWaalsContact C-N 3.33Å; V90-T92 PolarHBondContact O-N 3.04Å; V90-G93 PolarHBondContact O-N 3.5Å; V90-T95 HydrophobicContact CG2-CG2 4.13Å; V90-L438 HydrophobicContact CB-CD2 4.06Å; V90-L438 HydrophobicContact CG1-CD2 4.1Å; V90-L438 HydrophobicContact CG2-CD2 3.88Å
91H93.3Very high94.4Very high79 Ų7949.5 Ų49.537%0.36623%0.227SC..Hα-helixtrans-58.9-44.8179.4178.8103.7000111.9Q87 I88 G93 F433Q87-H91 VanDerWaalsContact O-CB 3.29Å; Q87-H91 WeakPolarHBondContact O-CB 3.48Å; Q87-H91 PolarHBondContact O-N 2.95Å; I88-H91 PolarHBondContact O-N 3.38Å; H91-G93 VanDerWaalsContact C-N 3.31Å; H91-F433 AromaticContact CD2-CZ 3.54Å; H91-F433 AromaticContact CE1-CZ 3.99Å; H91-F433 AromaticContact CG-CZ 3.91Å; H91-F433 AromaticContact NE2-CE2 3.97Å; H91-F433 AromaticContact NE2-CZ 3.61Å
92T93.8Very high94.4Very high8 Ų851.1 Ų51.15%0.04924%0.238CC..Hα-helixtrans-79.7-13-178.1570000113.5L22 M25 I88 L89 V90 V94 F242 L245L22-T92 HydrophobicContact CD2-CG2 3.67Å; M25-T92 HydrophobicContact SD-CG2 4.05Å; I88-T92 HydrophobicContact CG2-CG2 4.21Å; I88-T92 WeakPolarHBondContact O-CB 3.35Å; I88-T92 WeakPolarHBondContact O-CG2 3.14Å; I88-T92 PolarHBondContact O-N 3.01Å; I88-T92 PolarHBondContact O-OG1 3.17Å; L89-T92 PolarHBondContact O-OG1 2.98Å; V90-T92 VanDerWaalsContact C-N 3.33Å; V90-T92 PolarHBondContact O-N 3.04Å; T92-V94 VanDerWaalsContact C-N 3.27Å; T92-V94 PolarHBondContact O-N 2.75Å; T92-F242 HydrophobicContact CG2-CE1 4.19Å; T92-L245 HydrophobicContact CG2-CD2 4.39Å
93G93.3Very high94.6Very high17 Ų1749.8 Ų49.818%0.17523%0.231CC..THydrogen-bonded Turntrans75.19.1-179.900000114.9L89 V90 H91 T95 R96L89-G93 PolarHBondContact O-N 3.13Å; L89-G93 VanDerWaalsContact O-N 3.14Å; V90-G93 PolarHBondContact O-N 3.5Å; H91-G93 VanDerWaalsContact C-N 3.31Å; G93-T95 PolarHBondContact O-N 3.28Å; G93-R96 WeakPolarHBondContact O-CB 3.47Å; G93-R96 VanDerWaalsContact O-CG 3.3Å; G93-R96 WeakPolarHBondContact O-CG 3.24Å; G93-R96 PolarHBondContact O-N 3.02Å
94V93.8Very high94.7Very high0 Ų051.2 Ų51.20%024%0.237CC..G310 helixtrans-66.5-17177.7-62.10000113.4L89 T92 R96 Y97 L98 A241 F242 L245L89-V94 HydrophobicContact CB-CG2 3.86Å; L89-V94 HydrophobicContact CD2-CG2 3.29Å; L89-V94 HydrophobicContact CG-CG2 4.16Å; L89-V94 WeakPolarHBondContact O-CG2 3.37Å; L89-V94 PolarHBondContact O-N 2.86Å; T92-V94 VanDerWaalsContact C-N 3.27Å; T92-V94 PolarHBondContact O-N 2.75Å; V94-R96 PolarHBondContact O-N 2.83Å; V94-Y97 HydrophobicContact CB-CD2 4.24Å; V94-Y97 PolarHBondContact O-N 3.42Å; V94-L98 HydrophobicContact CG2-CD1 4.42Å; V94-A241 HydrophobicContact CB-CB 4.34Å; V94-F242 HydrophobicContact CG1-CD1 3.76Å; V94-F242 HydrophobicContact CG1-CE1 3.77Å; V94-F242 HydrophobicContact CG1-CG 4.34Å; V94-F242 HydrophobicContact CG1-CZ 4.35Å; V94-F242 HydrophobicContact CG2-CE1 4.08Å; V94-F242 HydrophobicContact CG2-CE2 4.36Å; V94-F242 HydrophobicContact CG2-CZ 3.88Å; V94-L245 HydrophobicContact CG1-CB 3.95Å; V94-L245 HydrophobicContact CG1-CD2 3.5Å; V94-L245 HydrophobicContact CG1-CG 4.24Å
95T92.8Very high94.6Very high58 Ų5847.4 Ų47.436%0.35622%0.221SC..G310 helixtrans-56.9-16.9172.453.10000113.3L89 V90 G93 Y97 L98L89-T95 HydrophobicContact CB-CG2 3.82Å; V90-T95 HydrophobicContact CG2-CG2 4.13Å; G93-T95 PolarHBondContact O-N 3.28Å; T95-Y97 PolarHBondContact O-N 3.34Å; T95-L98 VanDerWaalsContact O-O 3.11Å
96R91.8Very high94.6Very high215 Ų21547.5 Ų47.581%0.81122%0.222SC*.G310 helixtrans-69.1-17.4172.9-62.2174.1-173.5-153.52.5113.7G93 V94G93-R96 WeakPolarHBondContact O-CB 3.47Å; G93-R96 VanDerWaalsContact O-CG 3.3Å; G93-R96 WeakPolarHBondContact O-CG 3.24Å; G93-R96 PolarHBondContact O-N 3.02Å; V94-R96 PolarHBondContact O-N 2.83Å
97Y90.4Very high94.6Very high103 Ų10347.3 Ų47.340%0.40422%0.22SC..G310 helixtrans-106.5-6.2-177.9-47-52.9000112.7V94 T95 A241V94-Y97 HydrophobicContact CB-CD2 4.24Å; V94-Y97 PolarHBondContact O-N 3.42Å; T95-Y97 PolarHBondContact O-N 3.34Å; Y97-A241 HydrophobicContact CD2-CB 4.32Å
98L96.4Very high94.7Very high15 Ų1545.5 Ų45.58%0.07921%0.211CC..  trans-128133.5-166.9-66169.7000110.2L89 V94 T95 F100 E237 L238 A241L89-L98 HydrophobicContact CD2-CD1 4.23Å; V94-L98 HydrophobicContact CG2-CD1 4.42Å; T95-L98 VanDerWaalsContact O-O 3.11Å; L98-F100 HydrophobicContact CB-CD2 4.29Å; L98-F100 HydrophobicContact CB-CE2 3.52Å; L98-F100 HydrophobicContact CB-CZ 3.95Å; L98-F100 HydrophobicContact CD1-CE2 4.17Å; L98-F100 HydrophobicContact CD1-CZ 3.9Å; L98-F100 HydrophobicContact CG-CE2 4.48Å; L98-E237 HydrophobicContact CD2-CB 3.64Å; L98-L238 HydrophobicContact CD1-CD2 3.76Å; L98-A241 HydrophobicContact CD1-CB 3.81Å; L98-A241 HydrophobicContact CD2-CB 3.93Å; L98-A241 HydrophobicContact CG-CB 3.82Å
99E96.8Very high94.7Very high140 Ų14047.7 Ų47.765%0.65422%0.22SC*.  trans-105.8136.2168.2-69.2-174.1-164.100109.4P231 L232E99-P231 CarbonylContact O-C 3.55Å; E99-P231 WeakPolarHBondContact O-CA 3.35Å; E99-L232 HydrophobicContact CB-CB 4.49Å; E99-L232 HydrophobicContact CB-CD1 3.82Å; E99-L232 HydrophobicContact CB-CG 4.14Å; E99-L232 PolarHBondContact O-N 3.14Å
100F95.9Very high94.6Very high56 Ų5649.6 Ų49.625%0.24623%0.229CC..EExtended strand (participates in β ladder)trans-119.4149.3-179.1-67.3-89.7000110.7L79 L89 L98 L229 Y230 P231 L238L79-F100 HydrophobicContact CD1-CE1 4.25Å; L79-F100 HydrophobicContact CD2-CE1 3.76Å; L79-F100 HydrophobicContact CD2-CZ 4.32Å; L89-F100 HydrophobicContact CD1-CE1 4.28Å; L89-F100 HydrophobicContact CD1-CE2 4.26Å; L89-F100 HydrophobicContact CD1-CZ 3.58Å; L98-F100 HydrophobicContact CB-CD2 4.29Å; L98-F100 HydrophobicContact CB-CE2 3.52Å; L98-F100 HydrophobicContact CB-CZ 3.95Å; L98-F100 HydrophobicContact CD1-CE2 4.17Å; L98-F100 HydrophobicContact CD1-CZ 3.9Å; L98-F100 HydrophobicContact CG-CE2 4.48Å; F100-L229 HydrophobicContact CD1-CB 4.35Å; F100-Y230 WeakPolarHBondContact CA-O 3.36Å; F100-P231 HydrophobicContact CD1-CB 4.13Å; F100-P231 HydrophobicContact CE1-CB 3.93Å; F100-P231 HydrophobicContact CE1-CG 4.48Å; F100-L238 HydrophobicContact CE1-CD2 4.23Å; F100-L238 HydrophobicContact CZ-CD2 4.05Å
101R95.7Very high94.5Very high122 Ų12250.8 Ų50.846%0.4624%0.24SC..EExtended strand (participates in β ladder)trans-124.5152.4165.1-77-166.7176.7-166.5-3.4111.2L229 Y230 L232 Q344R101-L229 CarbonylContact O-C 3.56Å; R101-L229 WeakPolarHBondContact O-CA 3.38Å; R101-Y230 PolarHBondContact N-O 3.24Å; R101-Y230 PolarHBondContact O-N 2.78Å; R101-L232 HydrophobicContact CB-CD2 4.37Å; R101-L232 HydrophobicContact CG-CD2 3.83Å; R101-Q344 VanDerWaalsContact CD-O 3.22Å; R101-Q344 WeakPolarHBondContact CD-O 3.24Å; R101-Q344 PolarHBondContact NH1-O 2.94Å; R101-Q344 VanDerWaalsContact NH1-O 3.12Å
102S95.6Very high94.4Very high33 Ų3349.1 Ų49.123%0.23124%0.244CC..EExtended strand (participates in β ladder)trans-73.6136175.9-47.40000110.5F223 Y228S102-F223 WeakPolarHBondContact OG-CB 3.24Å; S102-Y228 WeakPolarHBondContact CA-O 3.31Å
103V96.4Very high94.4Very high0 Ų050.4 Ų50.40%025%0.253CS..  trans-70135.9167.5-179.70000108.2F78 G105 S226 Y228 S320F78-V103 HydrophobicContact CD1-CG2 3.57Å; F78-V103 HydrophobicContact CD2-CG1 4.36Å; F78-V103 HydrophobicContact CD2-CG2 4.1Å; F78-V103 HydrophobicContact CE1-CG2 3.64Å; F78-V103 HydrophobicContact CE2-CG1 3.89Å; F78-V103 HydrophobicContact CE2-CG2 4.13Å; F78-V103 HydrophobicContact CG-CG2 3.84Å; F78-V103 HydrophobicContact CZ-CG1 4.01Å; F78-V103 HydrophobicContact CZ-CG2 3.92Å; V103-G105 PolarHBondContact O-N 3.07Å; V103-S226 VanDerWaalsContact O-CB 3.29Å; V103-S226 WeakPolarHBondContact O-CB 3.49Å; V103-S226 PolarHBondContact O-OG 3.49Å; V103-Y228 PolarHBondContact N-O 2.94Å; V103-S320 WeakPolarHBondContact CA-OG 3.47Å
104E95.3Very high94.5Very high32 Ų3250 Ų5015%0.1525%0.248CC..SBendtrans-78.8-20.7-167.4-71-159.8143.700114.6K225 S318 L319 S320 Q344E104-K225 HydrophobicContact CB-CD 4.23Å; E104-K225 HydrophobicContact CG-CD 4.16Å; E104-K225 WeakPolarHBondContact O-CB 3.49Å; E104-K225 IonicContact OE1-NZ 3.59Å; E104-K225 PolarHBondContact OE1-NZ 3.39Å; E104-S318 WeakPolarHBondContact CB-OG 3.39Å; E104-L319 PolarHBondContact OE2-N 3.15Å; E104-S320 PolarHBondContact N-O 3.11Å; E104-S320 PolarHBondContact N-OG 2.83Å; E104-Q344 PolarHBondContact OE1-NE2 2.99Å
105G93.6Very high94.5Very high0 Ų052.7 Ų52.70%026%0.258CS..EExtended strand (participates in β ladder)trans-160.6147.7175.500000115.4V103 Y107 S318 S320 T321 Q322V103-G105 PolarHBondContact O-N 3.07Å; G105-Y107 VanDerWaalsContact C-CE2 3.48Å; G105-Y107 VanDerWaalsContact CA-CE2 3.49Å; G105-S318 PolarHBondContact N-OG 2.86Å; G105-S320 PolarHBondContact N-O 2.93Å; G105-T321 CarbonylContact O-C 3.56Å; G105-T321 VanDerWaalsContact O-CA 3.27Å; G105-T321 WeakPolarHBondContact O-CA 3.44Å; G105-T321 PolarHBondContact O-OG1 2.89Å; G105-Q322 PolarHBondContact O-N 3.22Å
106S95.6Very high94.6Very high4 Ų452.7 Ų52.73%0.02825%0.253CS..EExtended strand (participates in β ladder)trans-115.9125.5172.1175.90000108.4V117 Y216 Q322S106-V117 PolarHBondContact O-N 3.13Å; S106-Y216 VanDerWaalsContact CB-OH 3.27Å; S106-Y216 WeakPolarHBondContact CB-OH 3.48Å; S106-Y216 PolarHBondContact OG-OH 2.92Å; S106-Q322 PolarHBondContact OG-OE1 2.59Å
107Y96.1Very high94.7Very high6 Ų642.6 Ų42.62%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-134158.7-172.8-55.4-102.2000111.4G105 V114 Y115 K116 V315 T321 Q322 I323 I324G105-Y107 VanDerWaalsContact C-CE2 3.48Å; G105-Y107 VanDerWaalsContact CA-CE2 3.49Å; Y107-V114 VanDerWaalsContact CB-CG1 3.44Å; Y107-V114 HydrophobicContact CD1-CG1 3.92Å; Y107-V114 HydrophobicContact CG-CG1 3.88Å; Y107-Y115 CarbonylContact C-O 3.59Å; Y107-Y115 WeakPolarHBondContact CA-O 3.41Å; Y107-Y115 WeakPolarHBondContact CB-O 3.4Å; Y107-K116 HydrophobicContact CD1-CB 4.1Å; Y107-K116 HydrophobicContact CE1-CB 4.02Å; Y107-V315 HydrophobicContact CD1-CG1 4.31Å; Y107-V315 HydrophobicContact CD2-CB 4.4Å; Y107-V315 HydrophobicContact CD2-CG1 4.01Å; Y107-V315 HydrophobicContact CE1-CB 4.19Å; Y107-V315 HydrophobicContact CE1-CG1 4.34Å; Y107-V315 HydrophobicContact CE2-CB 3.86Å; Y107-V315 HydrophobicContact CE2-CG1 3.99Å; Y107-V315 HydrophobicContact CG-CG1 4.19Å; Y107-V315 PolarHBondContact OH-O 3.37Å; Y107-T321 WeakPolarHBondContact CD2-OG1 3.26Å; Y107-T321 WeakPolarHBondContact CE2-OG1 3.5Å; Y107-Q322 PolarHBondContact N-O 2.81Å; Y107-I323 WeakPolarHBondContact O-CA 3.46Å; Y107-I324 PolarHBondContact O-N 3.01Å
108V96.1Very high94.7Very high2 Ų237.8 Ų37.81%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-128.6137.8173.766.40000108.5Y115 V117 L129 F187 A191 I324 P326V108-Y115 PolarHBondContact N-O 3.17Å; V108-Y115 PolarHBondContact O-N 3.05Å; V108-V117 HydrophobicContact CB-CG2 4.23Å; V108-V117 HydrophobicContact CG1-CG2 4.37Å; V108-L129 HydrophobicContact CG1-CD1 3.76Å; V108-L129 HydrophobicContact CG1-CD2 3.68Å; V108-L129 HydrophobicContact CG1-CG 4.36Å; V108-F187 HydrophobicContact CB-CD2 4.38Å; V108-F187 HydrophobicContact CG1-CD2 3.8Å; V108-F187 HydrophobicContact CG1-CE2 4.01Å; V108-F187 HydrophobicContact CG2-CD2 4.42Å; V108-A191 HydrophobicContact CB-CB 3.93Å; V108-A191 HydrophobicContact CG2-CB 3.94Å; V108-I324 CarbonylContact C-O 3.52Å; V108-I324 WeakPolarHBondContact CA-O 3.41Å; V108-P326 HydrophobicContact CG2-CG 3.76Å
109Y96Very high94.1Very high47 Ų4737.4 Ų37.418%0.18420%0.195CC..EExtended strand (participates in β ladder)trans-80.5133.2170.5177.7-89.4000109.6G112 S113 V114 I324 I325 P326 E329 L376Y109-G112 VanDerWaalsContact OH-CA 3.28Å; Y109-G112 WeakPolarHBondContact OH-CA 3.44Å; Y109-S113 WeakPolarHBondContact CA-O 3.32Å; Y109-V114 HydrophobicContact CD2-CG2 4.25Å; Y109-I324 PolarHBondContact N-O 3.05Å; Y109-I325 HydrophobicContact CD1-CG2 3.85Å; Y109-I325 HydrophobicContact CG-CG1 4.35Å; Y109-I325 HydrophobicContact CG-CG2 4.23Å; Y109-P326 WeakPolarHBondContact O-CD 3.49Å; Y109-E329 HydrophobicContact CD1-CB 3.92Å; Y109-E329 HydrophobicContact CD1-CG 4.19Å; Y109-E329 HydrophobicContact CE1-CB 4.05Å; Y109-L376 HydrophobicContact CD2-CD1 3.91Å; Y109-L376 HydrophobicContact CD2-CD2 3.95Å; Y109-L376 HydrophobicContact CD2-CG 4.5Å; Y109-L376 HydrophobicContact CE2-CD2 3.94Å
110H94.3Very high93.4Very high42 Ų4233.7 Ų33.719%0.19418%0.18CC..EExtended strand (participates in β ladder)trans-151.2132.9175.7-177.957.4000110.2G112 S113 Y115 L129 E329H110-G112 VanDerWaalsContact C-N 3.26Å; H110-G112 PolarHBondContact O-N 2.88Å; H110-G112 VanDerWaalsContact O-N 3.11Å; H110-S113 PolarHBondContact N-O 2.76Å; H110-S113 PolarHBondContact O-N 2.74Å; H110-S113 VanDerWaalsContact O-N 3.12Å; H110-S113 VanDerWaalsContact O-O 3.14Å; H110-Y115 HydrophobicContact CB-CD2 4.14Å; H110-Y115 HydrophobicContact CB-CE2 4.19Å; H110-Y115 WeakPolarHBondContact O-CE2 3.25Å; H110-L129 HydrophobicContact CB-CD2 3.78Å; H110-E329 WeakPolarHBondContact CA-OE2 3.5Å; H110-E329 IonicContact CE1-OE1 3.99Å; H110-E329 IonicContact CG-OE1 3.84Å; H110-E329 IonicContact ND1-OE1 2.94Å; H110-E329 PolarHBondContact ND1-OE1 3.03Å; H110-E329 IonicContact ND1-OE2 2.6Å
111S90.7Very high92.9Very high87 Ų8735 Ų3561%0.60819%0.186SC*.THydrogen-bonded Turntrans50.739.4171.7-63.10000114.8E329S111-E329 PolarHBondContact N-OE2 2.92Å
112G91.3Very high92.5Very high44 Ų4433.4 Ų33.445%0.45419%0.194SC..THydrogen-bonded Turntrans94.2-5.6176.100000116.1Y109 H110Y109-G112 VanDerWaalsContact OH-CA 3.28Å; Y109-G112 WeakPolarHBondContact OH-CA 3.44Å; H110-G112 VanDerWaalsContact C-N 3.26Å; H110-G112 PolarHBondContact O-N 2.88Å; H110-G112 VanDerWaalsContact O-N 3.11Å
113S93.8Very high92.2Very high35 Ų3533.5 Ų33.525%0.24519%0.191CC..EExtended strand (participates in β ladder)trans-135.9163.5-176.3-69.20000112.5Y109 H110 E314Y109-S113 WeakPolarHBondContact CA-O 3.32Å; H110-S113 PolarHBondContact N-O 2.76Å; H110-S113 PolarHBondContact O-N 2.74Å; H110-S113 VanDerWaalsContact O-N 3.12Å; H110-S113 VanDerWaalsContact O-O 3.14Å; S113-E314 WeakPolarHBondContact CA-OE2 3.26Å; S113-E314 WeakPolarHBondContact CB-OE2 3.34Å
114V95.6Very high91.8Very high10 Ų1033.5 Ų33.56%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-102.2130.1178.4-179.80000110.1Y107 Y109 E314 V315 I323 L376Y107-V114 VanDerWaalsContact CB-CG1 3.44Å; Y107-V114 HydrophobicContact CD1-CG1 3.92Å; Y107-V114 HydrophobicContact CG-CG1 3.88Å; Y109-V114 HydrophobicContact CD2-CG2 4.25Å; V114-E314 HydrophobicContact CB-CB 4.24Å; V114-E314 PolarHBondContact N-OE2 3.45Å; V114-V315 HydrophobicContact CG1-CG1 4.07Å; V114-I323 HydrophobicContact CG1-CD1 4.27Å; V114-I323 HydrophobicContact CG1-CG1 4.38Å; V114-I323 HydrophobicContact CG1-CG2 4.07Å; V114-I323 HydrophobicContact CG2-CG2 4.37Å; V114-L376 HydrophobicContact CG2-CD1 3.89Å; V114-L376 HydrophobicContact CG2-CD2 3.98Å; V114-L376 HydrophobicContact CG2-CG 4.49Å
115Y94.6Very high91.5Very high56 Ų5635.9 Ų35.922%0.2220%0.204CC..EExtended strand (participates in β ladder)trans-128.5143.8-179.2-57.3-85.7000112.2Y107 V108 H110 V117 K128 L129Y107-Y115 CarbonylContact C-O 3.59Å; Y107-Y115 WeakPolarHBondContact CA-O 3.41Å; Y107-Y115 WeakPolarHBondContact CB-O 3.4Å; V108-Y115 PolarHBondContact N-O 3.17Å; V108-Y115 PolarHBondContact O-N 3.05Å; H110-Y115 HydrophobicContact CB-CD2 4.14Å; H110-Y115 HydrophobicContact CB-CE2 4.19Å; H110-Y115 WeakPolarHBondContact O-CE2 3.25Å; Y115-V117 PolarHBondContact O-N 3.34Å; Y115-K128 HydrophobicContact CD1-CB 3.92Å; Y115-K128 HydrophobicContact CE1-CB 3.61Å; Y115-L129 VanDerWaalsContact CB-CG 3.44Å; Y115-L129 HydrophobicContact CD1-CG 4.5Å; Y115-L129 HydrophobicContact CD2-CD2 3.36Å; Y115-L129 HydrophobicContact CD2-CG 4.04Å; Y115-L129 HydrophobicContact CE2-CD2 4.21Å; Y115-L129 HydrophobicContact CG-CD2 3.62Å; Y115-L129 HydrophobicContact CG-CG 3.76Å
116K94.2Very high91.3Very high57 Ų5739.8 Ų39.825%0.24823%0.232CC..EExtended strand (participates in β ladder)trans-62.4134.1174.1-170.2-176.6-177.7-1670109.8Y107 P118 E123Y107-K116 HydrophobicContact CD1-CB 4.1Å; Y107-K116 HydrophobicContact CE1-CB 4.02Å; K116-P118 WeakPolarHBondContact O-CD 3.46Å; K116-E123 IonicContact NZ-OE1 3.44Å; K116-E123 PolarHBondContact NZ-OE1 2.89Å
117V94.3Very high91.1Very high3 Ų340.3 Ų40.32%0.01824%0.235CC..  trans-68.4113175.1175.50000109.4S106 V108 Y115 C119 F187 A191 I192 Y216S106-V117 PolarHBondContact O-N 3.13Å; V108-V117 HydrophobicContact CB-CG2 4.23Å; V108-V117 HydrophobicContact CG1-CG2 4.37Å; Y115-V117 PolarHBondContact O-N 3.34Å; V117-C119 PolarHBondContact O-N 3.09Å; V117-F187 HydrophobicContact CB-CE2 4.31Å; V117-F187 HydrophobicContact CG1-CE2 3.83Å; V117-F187 HydrophobicContact CG1-CZ 3.91Å; V117-F187 HydrophobicContact CG2-CE2 4.21Å; V117-A191 HydrophobicContact CG2-CB 3.96Å; V117-I192 HydrophobicContact CG1-CD1 4.45Å; V117-I192 HydrophobicContact CG1-CG1 3.72Å; V117-Y216 HydrophobicContact CG1-CE1 4.09Å; V117-Y216 WeakPolarHBondContact CG1-OH 3.19Å
118P91.4Very high90.8Very high2 Ų248.3 Ų48.31%0.01327%0.27CS..  trans-68.9123.5177.727.7-37.8000111.6K116 E123 T127 L129 M130 F138 F187K116-P118 WeakPolarHBondContact O-CD 3.46Å; P118-E123 HydrophobicContact CB-CB 3.86Å; P118-T127 HydrophobicContact CB-CG2 4.4Å; P118-T127 HydrophobicContact CG-CG2 4.18Å; P118-L129 HydrophobicContact CG-CD1 4.43Å; P118-M130 HydrophobicContact CG-CE 4.39Å; P118-F138 HydrophobicContact CB-CE1 4.16Å; P118-F138 HydrophobicContact CG-CE1 3.72Å; P118-F138 HydrophobicContact CG-CZ 4.25Å; P118-F187 VanDerWaalsContact CD-CZ 3.46Å; P118-F187 HydrophobicContact CG-CE1 4.08Å; P118-F187 HydrophobicContact CG-CZ 3.69Å
119C82.1Confident90.5Very high7 Ų749 Ų495%0.04727%0.273CS..  trans-114.4-6.8-17678.90000114.5V117 E123 Y216 V220V117-C119 PolarHBondContact O-N 3.09Å; C119-E123 PolarHBondContact N-OE2 2.84Å; C119-E123 PolarHBondContact SG-OE2 2.85Å; C119-Y216 HydrophobicContact CB-CD1 4.24Å; C119-Y216 HydrophobicContact CB-CE1 3.86Å; C119-V220 HydrophobicContact CB-CB 4.35Å; C119-V220 HydrophobicContact CB-CG1 4.49Å; C119-V220 HydrophobicContact CB-CG2 3.87Å; C119-V220 WeakPolarHBondContact SG-CG1 3.42Å
120N83.5Confident90.4Very high62 Ų6247.8 Ų47.833%0.33227%0.269SS..SBendtrans-141.3172.9179.565.857.4000111S122 E123 A124N120-S122 VanDerWaalsContact C-N 3.3Å; N120-S122 PolarHBondContact O-N 2.92Å; N120-S122 WeakPolarHBondContact OD1-CB 3.18Å; N120-S122 PolarHBondContact OD1-N 2.85Å; N120-E123 PolarHBondContact O-N 2.78Å; N120-E123 PolarHBondContact OD1-N 2.93Å; N120-A124 VanDerWaalsContact O-CB 3.3Å; N120-A124 WeakPolarHBondContact O-CB 3.19Å; N120-A124 PolarHBondContact O-N 3.05Å
121E85.1Confident90.3Very high83 Ų8350.1 Ų50.139%0.38828%0.283SS..Hα-helixtrans-58.7-38.5-176.4-64.1-170.8-120.400114L125 R139 V143E121-L125 WeakPolarHBondContact O-CG 3.23Å; E121-L125 PolarHBondContact O-N 2.9Å; E121-R139 HydrophobicContact CB-CG 4.48Å; E121-R139 HydrophobicContact CG-CG 4.42Å; E121-R139 IonicContact OE2-CZ 3.54Å; E121-R139 IonicContact OE2-NE 2.95Å; E121-R139 PolarHBondContact OE2-NE 3.39Å; E121-R139 IonicContact OE2-NH1 3.94Å; E121-R139 IonicContact OE2-NH2 2.82Å; E121-R139 PolarHBondContact OE2-NH2 3.49Å; E121-V143 HydrophobicContact CG-CG2 3.45Å; E121-V143 VanDerWaalsContact CG-CG2 3.45Å
122S86.7Confident90.4Very high89 Ų8950.7 Ų50.762%0.62228%0.279SS*.Hα-helixtrans-68.9-45-179-174.50000111N120 L125 S126N120-S122 VanDerWaalsContact C-N 3.3Å; N120-S122 PolarHBondContact O-N 2.92Å; N120-S122 WeakPolarHBondContact OD1-CB 3.18Å; N120-S122 PolarHBondContact OD1-N 2.85Å; S122-L125 PolarHBondContact O-N 3.37Å; S122-S126 WeakPolarHBondContact O-CB 3.44Å; S122-S126 PolarHBondContact O-N 2.91Å; S122-S126 VanDerWaalsContact O-N 3.1Å; S122-S126 PolarHBondContact O-OG 3.13Å
123E89.1Confident90.6Very high36 Ų3655.2 Ų55.217%0.16829%0.287CS..Hα-helixtrans-67.1-38176.5-68-172.8161.100111.8K116 P118 C119 N120 L125 S126 T127K116-E123 IonicContact NZ-OE1 3.44Å; K116-E123 PolarHBondContact NZ-OE1 2.89Å; P118-E123 HydrophobicContact CB-CB 3.86Å; C119-E123 PolarHBondContact N-OE2 2.84Å; C119-E123 PolarHBondContact SG-OE2 2.85Å; N120-E123 PolarHBondContact O-N 2.78Å; N120-E123 PolarHBondContact OD1-N 2.93Å; E123-L125 PolarHBondContact O-N 2.86Å; E123-S126 WeakPolarHBondContact CA-OG 3.37Å; E123-S126 PolarHBondContact O-N 3.01Å; E123-S126 PolarHBondContact O-OG 3.44Å; E123-T127 WeakPolarHBondContact O-CB 3.35Å; E123-T127 PolarHBondContact O-N 3.3Å
124A88.7Confident90.7Very high0 Ų053.6 Ų53.60%028%0.275CS..Hα-helixtrans-60.2-32176.500000112.8N120 T127 K135 F138 R139 L142N120-A124 VanDerWaalsContact O-CB 3.3Å; N120-A124 WeakPolarHBondContact O-CB 3.19Å; N120-A124 PolarHBondContact O-N 3.05Å; A124-T127 WeakPolarHBondContact O-CG2 3.31Å; A124-K135 WeakPolarHBondContact O-CB 3.34Å; A124-K135 WeakPolarHBondContact O-CG 3.35Å; A124-F138 HydrophobicContact CB-CD1 3.75Å; A124-F138 HydrophobicContact CB-CE1 3.71Å; A124-R139 HydrophobicContact CB-CB 4.2Å; A124-L142 HydrophobicContact CB-CD2 4.43Å
125L89Confident90.7Very high81 Ų8154.6 Ų54.642%0.42428%0.279SS..Hα-helixtrans-87.2-28.2177.8-68.1174.6000113.6E121 S122 E123 K135E121-L125 WeakPolarHBondContact O-CG 3.23Å; E121-L125 PolarHBondContact O-N 2.9Å; S122-L125 PolarHBondContact O-N 3.37Å; E123-L125 PolarHBondContact O-N 2.86Å; L125-K135 VanDerWaalsContact O-CD 3.29Å; L125-K135 WeakPolarHBondContact O-CD 3.37Å
126S89.8Confident90.7Very high82 Ų8258.4 Ų58.457%0.57329%0.293SS*.Hα-helixtrans-93.6-19.1-176.756.40000114.2S122 E123S122-S126 WeakPolarHBondContact O-CB 3.44Å; S122-S126 PolarHBondContact O-N 2.91Å; S122-S126 VanDerWaalsContact O-N 3.1Å; S122-S126 PolarHBondContact O-OG 3.13Å; E123-S126 WeakPolarHBondContact CA-OG 3.37Å; E123-S126 PolarHBondContact O-N 3.01Å; E123-S126 PolarHBondContact O-OG 3.44Å
127T90.4Very high90.8Very high16 Ų1659.8 Ų59.810%0.09830%0.296CS..  trans-56.7148.9179-175.30000112.6P118 E123 A124 L129 M130 K135P118-T127 HydrophobicContact CB-CG2 4.4Å; P118-T127 HydrophobicContact CG-CG2 4.18Å; E123-T127 WeakPolarHBondContact O-CB 3.35Å; E123-T127 PolarHBondContact O-N 3.3Å; A124-T127 WeakPolarHBondContact O-CG2 3.31Å; T127-L129 HydrophobicContact CG2-CB 4.39Å; T127-L129 WeakPolarHBondContact OG1-CB 3.23Å; T127-L129 PolarHBondContact OG1-N 3.19Å; T127-M130 HydrophobicContact CG2-CE 3.97Å; T127-K135 HydrophobicContact CG2-CD 4.24Å; T127-K135 HydrophobicContact CG2-CG 4.19Å; T127-K135 WeakPolarHBondContact O-CD 3.22Å; T127-K135 WeakPolarHBondContact O-CE 3.36Å; T127-K135 PolarHBondContact O-NZ 3.5Å
128K90.9Very high90.9Very high173 Ų17359.6 Ų59.675%0.75230%0.295SS*.SBendtrans-96.51.9173.9-68.8178.9-178.3176.90113.4Y115 M130Y115-K128 HydrophobicContact CD1-CB 3.92Å; Y115-K128 HydrophobicContact CE1-CB 3.61Å; K128-M130 VanDerWaalsContact C-N 3.25Å; K128-M130 PolarHBondContact O-N 3.17Å
129L89.7Confident91.1Very high17 Ų1763.5 Ų63.59%0.08931%0.31CS..SBendtrans-63.2-28.8-179.8-82.7167.3000114.4V108 H110 Y115 P118 T127 F187V108-L129 HydrophobicContact CG1-CD1 3.76Å; V108-L129 HydrophobicContact CG1-CD2 3.68Å; V108-L129 HydrophobicContact CG1-CG 4.36Å; H110-L129 HydrophobicContact CB-CD2 3.78Å; Y115-L129 VanDerWaalsContact CB-CG 3.44Å; Y115-L129 HydrophobicContact CD1-CG 4.5Å; Y115-L129 HydrophobicContact CD2-CD2 3.36Å; Y115-L129 HydrophobicContact CD2-CG 4.04Å; Y115-L129 HydrophobicContact CE2-CD2 4.21Å; Y115-L129 HydrophobicContact CG-CD2 3.62Å; Y115-L129 HydrophobicContact CG-CG 3.76Å; P118-L129 HydrophobicContact CG-CD1 4.43Å; T127-L129 HydrophobicContact CG2-CB 4.39Å; T127-L129 WeakPolarHBondContact OG1-CB 3.23Å; T127-L129 PolarHBondContact OG1-N 3.19Å; L129-F187 HydrophobicContact CD1-CD2 4.32Å; L129-F187 HydrophobicContact CD1-CE2 4.03Å; L129-F187 HydrophobicContact CD1-CZ 4.42Å
130M93.3Very high91.8Very high21 Ų2169.4 Ų69.410%0.10334%0.335CS..SBendtrans-131156.1-170.7-76.1168.9-83.700109.6P118 T127 K128 E134 K135 F138 T184 F187P118-M130 HydrophobicContact CG-CE 4.39Å; T127-M130 HydrophobicContact CG2-CE 3.97Å; K128-M130 VanDerWaalsContact C-N 3.25Å; K128-M130 PolarHBondContact O-N 3.17Å; M130-E134 HydrophobicContact CB-CB 4Å; M130-E134 HydrophobicContact CB-CG 3.98Å; M130-E134 HydrophobicContact CG-CB 4.31Å; M130-E134 HydrophobicContact CG-CG 3.71Å; M130-E134 HydrophobicContact SD-CG 3.83Å; M130-K135 HydrophobicContact CB-CG 3.76Å; M130-K135 WeakPolarHBondContact O-CE 3.26Å; M130-F138 HydrophobicContact CE-CB 4.22Å; M130-F138 HydrophobicContact CE-CD1 3.54Å; M130-F138 HydrophobicContact CE-CE1 4.07Å; M130-F138 HydrophobicContact CE-CG 3.88Å; M130-F138 HydrophobicContact SD-CB 3.71Å; M130-F138 HydrophobicContact SD-CD1 4.19Å; M130-F138 HydrophobicContact SD-CG 3.95Å; M130-T184 HydrophobicContact SD-CG2 3.62Å; M130-T184 PolarHBondContact SD-OG1 2.83Å; M130-F187 HydrophobicContact CE-CE1 4.41Å
131D92.9Very high92.5Very high91 Ų9166.4 Ų66.449%0.48732%0.319SS..  trans-70.2170.9169.37539.8000111.7F133 E134 K135D131-F133 VanDerWaalsContact C-N 3.29Å; D131-F133 PolarHBondContact O-N 3.38Å; D131-F133 WeakPolarHBondContact OD1-CA 3.48Å; D131-F133 PolarHBondContact OD1-N 3.12Å; D131-E134 PolarHBondContact O-N 2.99Å; D131-E134 WeakPolarHBondContact OD1-CB 3.45Å; D131-E134 PolarHBondContact OD1-N 2.75Å; D131-K135 WeakPolarHBondContact O-CB 3.49Å; D131-K135 VanDerWaalsContact O-CG 3.26Å; D131-K135 WeakPolarHBondContact O-CG 3.25Å; D131-K135 PolarHBondContact O-N 3.35Å
132L92.9Very high93Very high99 Ų9962.6 Ų62.652%0.51830%0.301SS..Hα-helixtrans-60.3-34.9-176.3-177.863.2000113.6R136L132-R136 WeakPolarHBondContact O-CG 3.38Å; L132-R136 PolarHBondContact O-N 2.79Å
133F94.5Very high93.4Very high140 Ų14060.2 Ų60.261%0.61428%0.283SS*.Hα-helixtrans-76.7-43.2-178.8-66.8-77000110.5D131 R136 R137D131-F133 VanDerWaalsContact C-N 3.29Å; D131-F133 PolarHBondContact O-N 3.38Å; D131-F133 WeakPolarHBondContact OD1-CA 3.48Å; D131-F133 PolarHBondContact OD1-N 3.12Å; F133-R136 WeakPolarHBondContact O-CB 3.4Å; F133-R136 PolarHBondContact O-N 3.07Å; F133-R136 VanDerWaalsContact O-N 3.17Å; F133-R137 PolarHBondContact O-N 2.77Å; F133-R137 VanDerWaalsContact O-N 3.13Å
134E95.6Very high93.8Very high1 Ų159 Ų591%0.00528%0.277CS..Hα-helixtrans-63.2-43.3177.3-171.163.8-17100111.7M130 D131 R136 R137 F138 N181 T184M130-E134 HydrophobicContact CB-CB 4Å; M130-E134 HydrophobicContact CB-CG 3.98Å; M130-E134 HydrophobicContact CG-CB 4.31Å; M130-E134 HydrophobicContact CG-CG 3.71Å; M130-E134 HydrophobicContact SD-CG 3.83Å; D131-E134 PolarHBondContact O-N 2.99Å; D131-E134 WeakPolarHBondContact OD1-CB 3.45Å; D131-E134 PolarHBondContact OD1-N 2.75Å; E134-R136 PolarHBondContact O-N 2.88Å; E134-R137 PolarHBondContact O-N 3.11Å; E134-R137 IonicContact OE2-CZ 2.88Å; E134-R137 IonicContact OE2-NE 3.64Å; E134-R137 PolarHBondContact OE2-NE 3.21Å; E134-R137 IonicContact OE2-NH2 3.94Å; E134-R137 PolarHBondContact OE2-NH2 3.32Å; E134-F138 WeakPolarHBondContact O-CB 3.19Å; E134-F138 PolarHBondContact O-N 3.5Å; E134-N181 PolarHBondContact OE1-N 3.27Å; E134-N181 PolarHBondContact OE1-OD1 2.89Å; E134-N181 VanDerWaalsContact OE1-OD1 3.05Å; E134-T184 WeakPolarHBondContact CG-OG1 3.24Å; E134-T184 WeakPolarHBondContact OE1-CB 3.37Å; E134-T184 PolarHBondContact OE1-OG1 2.81Å
135K95.1Very high94.2Very high30 Ų3059.1 Ų59.113%0.1328%0.277CS..Hα-helixtrans-53.6-40.3172.3-74.7-177.4-138.3-1760113.2A124 L125 T127 M130 D131 R139A124-K135 WeakPolarHBondContact O-CB 3.34Å; A124-K135 WeakPolarHBondContact O-CG 3.35Å; L125-K135 VanDerWaalsContact O-CD 3.29Å; L125-K135 WeakPolarHBondContact O-CD 3.37Å; T127-K135 HydrophobicContact CG2-CD 4.24Å; T127-K135 HydrophobicContact CG2-CG 4.19Å; T127-K135 WeakPolarHBondContact O-CD 3.22Å; T127-K135 WeakPolarHBondContact O-CE 3.36Å; T127-K135 PolarHBondContact O-NZ 3.5Å; M130-K135 HydrophobicContact CB-CG 3.76Å; M130-K135 WeakPolarHBondContact O-CE 3.26Å; D131-K135 WeakPolarHBondContact O-CB 3.49Å; D131-K135 VanDerWaalsContact O-CG 3.26Å; D131-K135 WeakPolarHBondContact O-CG 3.25Å; D131-K135 PolarHBondContact O-N 3.35Å; K135-R139 VanDerWaalsContact O-CB 3.31Å; K135-R139 WeakPolarHBondContact O-CB 3.46Å; K135-R139 PolarHBondContact O-N 3.2Å
136R95.4Very high94.5Very high136 Ų13657.7 Ų57.751%0.51327%0.27SS..Hα-helixtrans-69-39.1179-71.1172.9179.3177.90.6111.7L132 F133 E134 K140L132-R136 WeakPolarHBondContact O-CG 3.38Å; L132-R136 PolarHBondContact O-N 2.79Å; F133-R136 WeakPolarHBondContact O-CB 3.4Å; F133-R136 PolarHBondContact O-N 3.07Å; F133-R136 VanDerWaalsContact O-N 3.17Å; E134-R136 PolarHBondContact O-N 2.88Å; R136-K140 WeakPolarHBondContact O-CG 3.48Å; R136-K140 PolarHBondContact O-N 2.79Å
137R96.8Very high94.8Very high86 Ų8659.2 Ų59.233%0.32527%0.271SS..Hα-helixtrans-67.4-48.7175.5-65.7-171.8-75.6-158.9-11.4111F133 E134 R139 K140 L141 F178 N179 I180F133-R137 PolarHBondContact O-N 2.77Å; F133-R137 VanDerWaalsContact O-N 3.13Å; E134-R137 PolarHBondContact O-N 3.11Å; E134-R137 IonicContact OE2-CZ 2.88Å; E134-R137 IonicContact OE2-NE 3.64Å; E134-R137 PolarHBondContact OE2-NE 3.21Å; E134-R137 IonicContact OE2-NH2 3.94Å; E134-R137 PolarHBondContact OE2-NH2 3.32Å; R137-R139 PolarHBondContact O-N 3.4Å; R137-K140 WeakPolarHBondContact O-CB 3.38Å; R137-K140 PolarHBondContact O-N 2.92Å; R137-K140 VanDerWaalsContact O-N 3.13Å; R137-L141 PolarHBondContact O-N 3.38Å; R137-F178 WeakPolarHBondContact CD-O 3.26Å; R137-N179 WeakPolarHBondContact CD-O 3.37Å; R137-N179 PolarHBondContact NE-O 2.74Å; R137-N179 VanDerWaalsContact NE-O 3.17Å; R137-N179 PolarHBondContact NH1-O 3.38Å; R137-I180 HydrophobicContact CB-CD1 3.76Å
138F96.6Very high95.1Very high0 Ų059 Ų590%027%0.27CS..Hα-helixtrans-56.1-48.4174.7173.2-115.5000112.1P118 A124 M130 E134 K140 L141 L142 T184 F187 I188 I192P118-F138 HydrophobicContact CB-CE1 4.16Å; P118-F138 HydrophobicContact CG-CE1 3.72Å; P118-F138 HydrophobicContact CG-CZ 4.25Å; A124-F138 HydrophobicContact CB-CD1 3.75Å; A124-F138 HydrophobicContact CB-CE1 3.71Å; M130-F138 HydrophobicContact CE-CB 4.22Å; M130-F138 HydrophobicContact CE-CD1 3.54Å; M130-F138 HydrophobicContact CE-CE1 4.07Å; M130-F138 HydrophobicContact CE-CG 3.88Å; M130-F138 HydrophobicContact SD-CB 3.71Å; M130-F138 HydrophobicContact SD-CD1 4.19Å; M130-F138 HydrophobicContact SD-CG 3.95Å; E134-F138 WeakPolarHBondContact O-CB 3.19Å; E134-F138 PolarHBondContact O-N 3.5Å; F138-K140 VanDerWaalsContact C-N 3.3Å; F138-K140 PolarHBondContact O-N 3.25Å; F138-L141 PolarHBondContact O-N 2.94Å; F138-L142 HydrophobicContact CE1-CD2 4.19Å; F138-L142 HydrophobicContact CE2-CB 4.41Å; F138-L142 HydrophobicContact CZ-CB 4.38Å; F138-L142 HydrophobicContact CZ-CD2 4.07Å; F138-L142 WeakPolarHBondContact O-CB 3.44Å; F138-L142 PolarHBondContact O-N 2.88Å; F138-T184 HydrophobicContact CB-CG2 4.21Å; F138-T184 HydrophobicContact CD2-CG2 4Å; F138-T184 HydrophobicContact CG-CG2 4.32Å; F138-F187 HydrophobicContact CE1-CE1 4.34Å; F138-F187 AromaticContact CE2-CE1 3.98Å; F138-F187 HydrophobicContact CE2-CE1 3.98Å; F138-F187 AromaticContact CZ-CE1 3.79Å; F138-F187 HydrophobicContact CZ-CE1 3.79Å; F138-I188 HydrophobicContact CD2-CD1 3.91Å; F138-I188 HydrophobicContact CD2-CG1 4.2Å; F138-I188 HydrophobicContact CE2-CD1 3.94Å; F138-I188 HydrophobicContact CE2-CG1 3.79Å; F138-I192 HydrophobicContact CE2-CD1 4.35Å; F138-I192 HydrophobicContact CZ-CD1 4.09Å
139R95.8Very high95.4Very high83 Ų8354.5 Ų54.531%0.31325%0.253SS..Hα-helixtrans-55.6-44.9175.7177-178.6169.7-84.26.6111.8E121 A124 K135 R137 L142 V143E121-R139 HydrophobicContact CB-CG 4.48Å; E121-R139 HydrophobicContact CG-CG 4.42Å; E121-R139 IonicContact OE2-CZ 3.54Å; E121-R139 IonicContact OE2-NE 2.95Å; E121-R139 PolarHBondContact OE2-NE 3.39Å; E121-R139 IonicContact OE2-NH1 3.94Å; E121-R139 IonicContact OE2-NH2 2.82Å; E121-R139 PolarHBondContact OE2-NH2 3.49Å; A124-R139 HydrophobicContact CB-CB 4.2Å; K135-R139 VanDerWaalsContact O-CB 3.31Å; K135-R139 WeakPolarHBondContact O-CB 3.46Å; K135-R139 PolarHBondContact O-N 3.2Å; R137-R139 PolarHBondContact O-N 3.4Å; R139-L142 PolarHBondContact O-N 3.42Å; R139-V143 HydrophobicContact CG-CG2 4.27Å; R139-V143 WeakPolarHBondContact O-CB 3.41Å; R139-V143 VanDerWaalsContact O-CG2 3.26Å; R139-V143 WeakPolarHBondContact O-CG2 3.43Å; R139-V143 PolarHBondContact O-N 3.11Å
140K96.3Very high95.6Very high131 Ų13155.8 Ų55.857%0.5726%0.262SS*.Hα-helixtrans-62.5-45.2179.3-75178.7178.4-173.80111.7R136 R137 F138 W144 F178R136-K140 WeakPolarHBondContact O-CG 3.48Å; R136-K140 PolarHBondContact O-N 2.79Å; R137-K140 WeakPolarHBondContact O-CB 3.38Å; R137-K140 PolarHBondContact O-N 2.92Å; R137-K140 VanDerWaalsContact O-N 3.13Å; F138-K140 VanDerWaalsContact C-N 3.3Å; F138-K140 PolarHBondContact O-N 3.25Å; K140-W144 WeakPolarHBondContact O-CB 3.46Å; K140-W144 PolarHBondContact O-N 2.96Å; K140-F178 HydrophobicContact CB-CD1 3.96Å; K140-F178 HydrophobicContact CB-CE1 3.98Å
141L97Very high95.7Very high0 Ų061 Ų610%029%0.29CS..Hα-helixtrans-61.5-47.9175.617673.1000111R137 F138 W144 M145 A174 F175 F178 I180 I188R137-L141 PolarHBondContact O-N 3.38Å; F138-L141 PolarHBondContact O-N 2.94Å; L141-W144 HydrophobicContact CD1-CE3 3.69Å; L141-W144 HydrophobicContact CD1-CZ3 3.95Å; L141-W144 WeakPolarHBondContact O-CB 3.27Å; L141-W144 PolarHBondContact O-N 2.96Å; L141-M145 HydrophobicContact CD1-CE 4.33Å; L141-M145 HydrophobicContact CD1-CG 4.26Å; L141-M145 HydrophobicContact CD1-SD 4.29Å; L141-M145 HydrophobicContact CD2-CE 3.8Å; L141-M145 HydrophobicContact CD2-SD 4.49Å; L141-M145 HydrophobicContact CG-CE 3.61Å; L141-M145 HydrophobicContact CG-CG 4.41Å; L141-M145 HydrophobicContact CG-SD 4.21Å; L141-M145 WeakPolarHBondContact O-CG 3.3Å; L141-M145 PolarHBondContact O-N 2.93Å; L141-A174 HydrophobicContact CD1-CB 4.24Å; L141-F175 HydrophobicContact CD2-CD1 3.81Å; L141-F175 HydrophobicContact CD2-CE1 3.78Å; L141-F178 HydrophobicContact CB-CB 4.2Å; L141-F178 HydrophobicContact CB-CD1 4.2Å; L141-F178 HydrophobicContact CB-CD2 4.2Å; L141-F178 HydrophobicContact CB-CG 3.95Å; L141-F178 HydrophobicContact CD1-CB 4.42Å; L141-F178 HydrophobicContact CD1-CD2 3.36Å; L141-F178 HydrophobicContact CD1-CE2 3.72Å; L141-F178 HydrophobicContact CD1-CG 3.97Å; L141-F178 HydrophobicContact CG-CD2 4.37Å; L141-I180 HydrophobicContact CB-CD1 4.19Å; L141-I180 HydrophobicContact CD2-CD1 4.25Å; L141-I180 HydrophobicContact CD2-CG1 3.92Å; L141-I188 HydrophobicContact CD2-CD1 3.71Å
142L96Very high95.9Very high3 Ų359.7 Ų59.72%0.01628%0.283CS..Hα-helixtrans-58.8-50.9-179.8-178.464000111A124 F138 R139 W144 M145 L146 V213A124-L142 HydrophobicContact CB-CD2 4.43Å; F138-L142 HydrophobicContact CE1-CD2 4.19Å; F138-L142 HydrophobicContact CE2-CB 4.41Å; F138-L142 HydrophobicContact CZ-CB 4.38Å; F138-L142 HydrophobicContact CZ-CD2 4.07Å; F138-L142 WeakPolarHBondContact O-CB 3.44Å; F138-L142 PolarHBondContact O-N 2.88Å; R139-L142 PolarHBondContact O-N 3.42Å; L142-W144 VanDerWaalsContact C-N 3.27Å; L142-W144 PolarHBondContact O-N 3.31Å; L142-M145 PolarHBondContact O-N 3.01Å; L142-L146 HydrophobicContact CD1-CD1 4.04Å; L142-L146 HydrophobicContact CD1-CG 4.12Å; L142-L146 HydrophobicContact CG-CD1 3.92Å; L142-L146 HydrophobicContact CG-CG 4.35Å; L142-L146 WeakPolarHBondContact O-CB 3.42Å; L142-L146 VanDerWaalsContact O-CG 3.23Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 3.39Å; L142-V213 HydrophobicContact CD1-CG1 3.7Å
143V95.7Very high96Very high39 Ų3957.7 Ų57.724%0.23628%0.276CS..Hα-helixtrans-57.6-42.9176.5170.90000110.9E121 R139 L146 N147E121-V143 HydrophobicContact CG-CG2 3.45Å; E121-V143 VanDerWaalsContact CG-CG2 3.45Å; R139-V143 HydrophobicContact CG-CG2 4.27Å; R139-V143 WeakPolarHBondContact O-CB 3.41Å; R139-V143 VanDerWaalsContact O-CG2 3.26Å; R139-V143 WeakPolarHBondContact O-CG2 3.43Å; R139-V143 PolarHBondContact O-N 3.11Å; V143-L146 PolarHBondContact O-N 2.81Å; V143-N147 PolarHBondContact O-N 2.91Å; V143-N147 PolarHBondContact O-ND2 2.87Å
144W97Very high96.1Very high11 Ų1155.2 Ų55.24%0.04228%0.276CS..Hα-helixtrans-60.2-53.7176.1170.460.2000111.9K140 L141 L142 L146 N147 I148 T155 W156 Y158 I159 Y160 A174 F178 I210K140-W144 WeakPolarHBondContact O-CB 3.46Å; K140-W144 PolarHBondContact O-N 2.96Å; L141-W144 HydrophobicContact CD1-CE3 3.69Å; L141-W144 HydrophobicContact CD1-CZ3 3.95Å; L141-W144 WeakPolarHBondContact O-CB 3.27Å; L141-W144 PolarHBondContact O-N 2.96Å; L142-W144 VanDerWaalsContact C-N 3.27Å; L142-W144 PolarHBondContact O-N 3.31Å; W144-L146 VanDerWaalsContact C-N 3.29Å; W144-L146 PolarHBondContact O-N 2.63Å; W144-N147 PolarHBondContact O-N 3.24Å; W144-I148 HydrophobicContact CD2-CD1 4.26Å; W144-I148 HydrophobicContact CD2-CG1 4.47Å; W144-I148 HydrophobicContact CG-CD1 4.38Å; W144-I148 HydrophobicContact CZ2-CD1 3.9Å; W144-I148 HydrophobicContact CZ2-CG1 4.23Å; W144-I148 WeakPolarHBondContact O-CG1 3.37Å; W144-I148 PolarHBondContact O-N 3.3Å; W144-T155 PolarHBondContact NE1-O 2.6Å; W144-W156 HydrophobicContact CZ2-CB 4.23Å; W144-Y158 AromaticContact CD1-CE1 3.39Å; W144-Y158 AromaticContact CD1-CZ 3.38Å; W144-Y158 HydrophobicContact CG-CE1 4.45Å; W144-Y158 AromaticContact NE1-CE1 3.36Å; W144-Y158 AromaticContact NE1-CZ 3.6Å; W144-Y158 PolarHBondContact NE1-OH 2.94Å; W144-I159 HydrophobicContact CD2-CG1 4.23Å; W144-I159 HydrophobicContact CH2-CG2 4.33Å; W144-I159 HydrophobicContact CZ2-CB 3.88Å; W144-I159 HydrophobicContact CZ2-CG1 4.06Å; W144-I159 HydrophobicContact CZ2-CG2 4.11Å; W144-Y160 HydrophobicContact CH2-CD2 4.26Å; W144-Y160 AromaticContact CH2-CE2 3.69Å; W144-Y160 HydrophobicContact CH2-CE2 3.69Å; W144-Y160 HydrophobicContact CZ2-CD2 4.18Å; W144-Y160 HydrophobicContact CZ2-CE2 4.07Å; W144-A174 HydrophobicContact CH2-CB 3.95Å; W144-A174 HydrophobicContact CZ3-CB 3.73Å; W144-F178 HydrophobicContact CB-CE1 4.37Å; W144-F178 HydrophobicContact CB-CE2 4.31Å; W144-F178 HydrophobicContact CB-CZ 3.64Å; W144-F178 AromaticContact CD2-CE2 3.74Å; W144-F178 HydrophobicContact CD2-CE2 3.74Å; W144-F178 AromaticContact CD2-CZ 3.89Å; W144-F178 HydrophobicContact CD2-CZ 3.89Å; W144-F178 AromaticContact CE3-CE2 3.65Å; W144-F178 HydrophobicContact CE3-CE2 3.65Å; W144-F178 HydrophobicContact CE3-CZ 4.16Å; W144-F178 HydrophobicContact CG-CE2 4.08Å; W144-F178 AromaticContact CG-CZ 3.7Å; W144-F178 HydrophobicContact CG-CZ 3.7Å; W144-F178 HydrophobicContact CZ3-CE2 4.33Å; W144-I210 HydrophobicContact CH2-CD1 3.82Å; W144-I210 HydrophobicContact CH2-CG1 4.42Å; W144-I210 HydrophobicContact CZ3-CD1 4.32Å; W144-I210 HydrophobicContact CZ3-CG1 4.43Å
145M97.2Very high96.2Very high1 Ų156.6 Ų56.61%0.00529%0.285CS..Hα-helixtrans-57.9-40.7179.9-68-171.6-68.600112.2L141 L142 N147 I148 I210 V213 Q214L141-M145 HydrophobicContact CD1-CE 4.33Å; L141-M145 HydrophobicContact CD1-CG 4.26Å; L141-M145 HydrophobicContact CD1-SD 4.29Å; L141-M145 HydrophobicContact CD2-CE 3.8Å; L141-M145 HydrophobicContact CD2-SD 4.49Å; L141-M145 HydrophobicContact CG-CE 3.61Å; L141-M145 HydrophobicContact CG-CG 4.41Å; L141-M145 HydrophobicContact CG-SD 4.21Å; L141-M145 WeakPolarHBondContact O-CG 3.3Å; L141-M145 PolarHBondContact O-N 2.93Å; L142-M145 PolarHBondContact O-N 3.01Å; M145-N147 VanDerWaalsContact C-N 3.26Å; M145-N147 PolarHBondContact O-N 3.3Å; M145-I148 PolarHBondContact O-N 3.08Å; M145-I210 HydrophobicContact CB-CG2 4.49Å; M145-I210 HydrophobicContact CG-CG1 4.12Å; M145-I210 HydrophobicContact SD-CG1 4.48Å; M145-V213 HydrophobicContact CB-CG1 4.18Å; M145-V213 HydrophobicContact CE-CB 4.37Å; M145-V213 HydrophobicContact CE-CG1 3.97Å; M145-V213 HydrophobicContact CE-CG2 3.83Å; M145-V213 HydrophobicContact SD-CB 4.39Å; M145-V213 HydrophobicContact SD-CG1 4.49Å; M145-V213 HydrophobicContact SD-CG2 3.91Å; M145-Q214 PolarHBondContact O-NE2 2.78Å
146L95.4Very high96.3Very high52 Ų5255.8 Ų55.827%0.27228%0.281SS..Hα-helixtrans-68.6-22.8179.4-66.6179.2000113.7L142 V143 W144 V213 Q214L142-L146 HydrophobicContact CD1-CD1 4.04Å; L142-L146 HydrophobicContact CD1-CG 4.12Å; L142-L146 HydrophobicContact CG-CD1 3.92Å; L142-L146 HydrophobicContact CG-CG 4.35Å; L142-L146 WeakPolarHBondContact O-CB 3.42Å; L142-L146 VanDerWaalsContact O-CG 3.23Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 3.39Å; V143-L146 PolarHBondContact O-N 2.81Å; W144-L146 VanDerWaalsContact C-N 3.29Å; W144-L146 PolarHBondContact O-N 2.63Å; L146-V213 HydrophobicContact CD2-CG1 4.1Å; L146-Q214 HydrophobicContact CD2-CG 4.46Å
147N96.1Very high96.3Very high113 Ų11351.8 Ų51.860%0.60427%0.27SS*.THydrogen-bonded Turntrans-100.45.9178.6-73.6-80.7000113.4V143 W144 M145 D149V143-N147 PolarHBondContact O-N 2.91Å; V143-N147 PolarHBondContact O-ND2 2.87Å; W144-N147 PolarHBondContact O-N 3.24Å; M145-N147 VanDerWaalsContact C-N 3.26Å; M145-N147 PolarHBondContact O-N 3.3Å; N147-D149 PolarHBondContact O-N 3.27Å
148I97.3Very high96.3Very high13 Ų1354.4 Ų54.47%0.06728%0.281CS..  trans-71.2125.7175.1-66.2-49.1000111.1W144 M145 T155 W156 I166 I210 Q214W144-I148 HydrophobicContact CD2-CD1 4.26Å; W144-I148 HydrophobicContact CD2-CG1 4.47Å; W144-I148 HydrophobicContact CG-CD1 4.38Å; W144-I148 HydrophobicContact CZ2-CD1 3.9Å; W144-I148 HydrophobicContact CZ2-CG1 4.23Å; W144-I148 WeakPolarHBondContact O-CG1 3.37Å; W144-I148 PolarHBondContact O-N 3.3Å; M145-I148 PolarHBondContact O-N 3.08Å; I148-T155 WeakPolarHBondContact CD1-O 3.36Å; I148-W156 HydrophobicContact CD1-CB 3.61Å; I148-I166 HydrophobicContact CG2-CD1 3.98Å; I148-I210 HydrophobicContact CB-CG2 3.82Å; I148-I210 HydrophobicContact CG1-CD1 4.38Å; I148-I210 HydrophobicContact CG1-CG2 4.1Å; I148-I210 HydrophobicContact CG2-CG2 4.03Å; I148-Q214 PolarHBondContact O-NE2 3.25Å
149D96.7Very high96.3Very high77 Ų7755.2 Ų55.241%0.41229%0.285SS..  trans-109.6115.2161.9176.21.8000108.2N147 D151 N152 T155N147-D149 PolarHBondContact O-N 3.27Å; D149-D151 PolarHBondContact O-N 2.92Å; D149-D151 PolarHBondContact OD1-N 3.12Å; D149-N152 HydrophobicContact CB-CB 3.98Å; D149-N152 CarbonylContact O-C 3.5Å; D149-N152 PolarHBondContact O-N 3.14Å; D149-N152 VanDerWaalsContact O-O 3.13Å; D149-T155 HydrophobicContact CB-CG2 4.12Å; D149-T155 PolarHBondContact N-OG1 2.88Å; D149-T155 VanDerWaalsContact N-OG1 3.11Å; D149-T155 PolarHBondContact O-OG1 2.83Å
150V94.2Very high96.4Very high45 Ų4551.2 Ų51.227%0.27327%0.27SS..THydrogen-bonded Turntrans-61.3-27.9-175.2660000112.9I166 K167 I207V150-I166 HydrophobicContact CG2-CD1 4.45Å; V150-K167 HydrophobicContact CG2-CD 4.47Å; V150-K167 HydrophobicContact CG2-CG 4.45Å; V150-I207 HydrophobicContact CB-CD1 3.87Å; V150-I207 HydrophobicContact CG2-CD1 3.64Å; V150-I207 HydrophobicContact CG2-CG1 4.05Å
151D95.2Very high96.4Very high129 Ų12948 Ų4869%0.6926%0.262SS*.THydrogen-bonded Turntrans-92.3-4.5-179.1-63.1-39.3000112.3D149 P153D149-D151 PolarHBondContact O-N 2.92Å; D149-D151 PolarHBondContact OD1-N 3.12Å; D151-P153 WeakPolarHBondContact O-CD 3.37Å
152N96.6Very high96.3Very high64 Ų6453 Ų5334%0.34229%0.294SS..  trans-11892.6176.6-177.41000111.3D149 S154 T155D149-N152 HydrophobicContact CB-CB 3.98Å; D149-N152 CarbonylContact O-C 3.5Å; D149-N152 PolarHBondContact O-N 3.14Å; D149-N152 VanDerWaalsContact O-O 3.13Å; N152-S154 VanDerWaalsContact CG-OG 3.28Å; N152-S154 PolarHBondContact ND2-OG 3.15Å; N152-S154 PolarHBondContact O-N 2.74Å; N152-S154 WeakPolarHBondContact OD1-CB 3.12Å; N152-S154 PolarHBondContact OD1-N 2.74Å; N152-S154 PolarHBondContact OD1-OG 3.49Å; N152-T155 HydrophobicContact CB-CG2 4.15Å; N152-T155 PolarHBondContact O-N 2.84Å; N152-T155 PolarHBondContact O-OG1 2.83Å
153P95.8Very high96.3Very high57 Ų5759.1 Ų59.137%0.3734%0.335SS..G310 helixtrans-55.1-23.8-179.4-27.535000115.5D151 T155 W156 N157D151-P153 WeakPolarHBondContact O-CD 3.37Å; P153-T155 PolarHBondContact O-N 3.3Å; P153-T155 VanDerWaalsContact O-N 3.14Å; P153-W156 HydrophobicContact CB-CH2 4.39Å; P153-W156 HydrophobicContact CB-CZ2 3.87Å; P153-W156 HydrophobicContact CG-CZ2 4.02Å; P153-W156 PolarHBondContact O-N 2.92Å; P153-N157 VanDerWaalsContact CB-ND2 3.33Å; P153-N157 WeakPolarHBondContact CB-ND2 3.46Å; P153-N157 WeakPolarHBondContact O-CB 3.48Å; P153-N157 PolarHBondContact O-N 3.44Å; P153-N157 PolarHBondContact O-ND2 2.7Å; P153-N157 PolarHBondContact O-OD1 2.67Å
154S96.6Very high96.4Very high88 Ų8860.4 Ų60.462%0.61534%0.339SS*.G310 helixtrans-61.8-21.7176.671.10000113.5N152N152-S154 VanDerWaalsContact CG-OG 3.28Å; N152-S154 PolarHBondContact ND2-OG 3.15Å; N152-S154 PolarHBondContact O-N 2.74Å; N152-S154 WeakPolarHBondContact OD1-CB 3.12Å; N152-S154 PolarHBondContact OD1-N 2.74Å; N152-S154 PolarHBondContact OD1-OG 3.49Å
155T97.1Very high96.3Very high30 Ų3061.5 Ų61.518%0.18435%0.346CS..G310 helixtrans-78.6-25.3-18067.30000113.2W144 I148 D149 N152 P153 Y158W144-T155 PolarHBondContact NE1-O 2.6Å; I148-T155 WeakPolarHBondContact CD1-O 3.36Å; D149-T155 HydrophobicContact CB-CG2 4.12Å; D149-T155 PolarHBondContact N-OG1 2.88Å; D149-T155 VanDerWaalsContact N-OG1 3.11Å; D149-T155 PolarHBondContact O-OG1 2.83Å; N152-T155 HydrophobicContact CB-CG2 4.15Å; N152-T155 PolarHBondContact O-N 2.84Å; N152-T155 PolarHBondContact O-OG1 2.83Å; P153-T155 PolarHBondContact O-N 3.3Å; P153-T155 VanDerWaalsContact O-N 3.14Å; T155-Y158 WeakPolarHBondContact O-CE1 3.22Å
156W97.5Very high96.4Very high14 Ų1461.5 Ų61.55%0.05335%0.345CS..THydrogen-bonded Turntrans-126.2-19.9-173.752.1-98.9000115.5W144 I148 P153 Y158 I159 Y160 D165 I166W144-W156 HydrophobicContact CZ2-CB 4.23Å; I148-W156 HydrophobicContact CD1-CB 3.61Å; P153-W156 HydrophobicContact CB-CH2 4.39Å; P153-W156 HydrophobicContact CB-CZ2 3.87Å; P153-W156 HydrophobicContact CG-CZ2 4.02Å; P153-W156 PolarHBondContact O-N 2.92Å; W156-Y158 PolarHBondContact O-N 2.98Å; W156-Y158 VanDerWaalsContact O-N 3.08Å; W156-I159 PolarHBondContact O-N 3.29Å; W156-Y160 PolarHBondContact O-N 2.85Å; W156-D165 HydrophobicContact CH2-CB 4.43Å; W156-I166 HydrophobicContact CB-CD1 4.24Å; W156-I166 HydrophobicContact CB-CG2 3.94Å; W156-I166 HydrophobicContact CD2-CD1 3.91Å; W156-I166 HydrophobicContact CD2-CG1 3.86Å; W156-I166 HydrophobicContact CD2-CG2 4Å; W156-I166 HydrophobicContact CE3-CG1 4.25Å; W156-I166 HydrophobicContact CE3-CG2 3.91Å; W156-I166 HydrophobicContact CG-CD1 3.66Å; W156-I166 HydrophobicContact CG-CG1 4.13Å; W156-I166 HydrophobicContact CG-CG2 4.07Å; W156-I166 HydrophobicContact CZ2-CG1 4.31Å
157N95.9Very high96.4Very high52 Ų5264 Ų6428%0.27835%0.354SS..THydrogen-bonded Turntrans-59.9-24-176.2-83.6-5.5000114.3P153 I159 Y160 P161P153-N157 VanDerWaalsContact CB-ND2 3.33Å; P153-N157 WeakPolarHBondContact CB-ND2 3.46Å; P153-N157 WeakPolarHBondContact O-CB 3.48Å; P153-N157 PolarHBondContact O-N 3.44Å; P153-N157 PolarHBondContact O-ND2 2.7Å; P153-N157 PolarHBondContact O-OD1 2.67Å; N157-I159 PolarHBondContact O-N 2.88Å; N157-Y160 WeakPolarHBondContact CA-O 3.48Å; N157-Y160 CarbonylContact O-C 3.48Å; N157-Y160 VanDerWaalsContact O-C 3.27Å; N157-P161 WeakPolarHBondContact O-CA 3.29Å; N157-P161 WeakPolarHBondContact O-CB 3.44Å
158Y95.4Very high96.4Very high141 Ų14166.2 Ų66.255%0.55336%0.358SS*.THydrogen-bonded Turntrans-72.3-22.7178.281.1-88.6000112.4W144 T155 W156W144-Y158 AromaticContact CD1-CE1 3.39Å; W144-Y158 AromaticContact CD1-CZ 3.38Å; W144-Y158 HydrophobicContact CG-CE1 4.45Å; W144-Y158 AromaticContact NE1-CE1 3.36Å; W144-Y158 AromaticContact NE1-CZ 3.6Å; W144-Y158 PolarHBondContact NE1-OH 2.94Å; T155-Y158 WeakPolarHBondContact O-CE1 3.22Å; W156-Y158 PolarHBondContact O-N 2.98Å; W156-Y158 VanDerWaalsContact O-N 3.08Å
159I97.8Very high96.5Very high16 Ų1668.1 Ų68.18%0.08237%0.369CS..THydrogen-bonded Turntrans-95.2-43.2170.1-60.4-61.3000110.3W144 W156 N157 P161 H173 A174 F178W144-I159 HydrophobicContact CD2-CG1 4.23Å; W144-I159 HydrophobicContact CH2-CG2 4.33Å; W144-I159 HydrophobicContact CZ2-CB 3.88Å; W144-I159 HydrophobicContact CZ2-CG1 4.06Å; W144-I159 HydrophobicContact CZ2-CG2 4.11Å; W156-I159 PolarHBondContact O-N 3.29Å; N157-I159 PolarHBondContact O-N 2.88Å; I159-P161 WeakPolarHBondContact O-CD 3.39Å; I159-H173 PolarHBondContact O-CD2 3.22Å; I159-H173 PolarHBondContact O-NE2 2.93Å; I159-A174 HydrophobicContact CG2-CB 4.08Å; I159-F178 HydrophobicContact CD1-CD2 4.28Å; I159-F178 HydrophobicContact CD1-CE2 3.52Å; I159-F178 HydrophobicContact CD1-CZ 3.66Å; I159-F178 HydrophobicContact CG1-CE2 3.71Å; I159-F178 HydrophobicContact CG1-CZ 3.96Å; I159-F178 HydrophobicContact CG2-CE2 4.38Å
160Y97.8Very high96.5Very high0 Ų066.1 Ų66.10%036%0.359CS..SBendtrans-111.475.3177-67.9-104.1000110.3W144 W156 N157 M164 I166 D169 T170 I171 H173 A174 A206W144-Y160 HydrophobicContact CH2-CD2 4.26Å; W144-Y160 AromaticContact CH2-CE2 3.69Å; W144-Y160 HydrophobicContact CH2-CE2 3.69Å; W144-Y160 HydrophobicContact CZ2-CD2 4.18Å; W144-Y160 HydrophobicContact CZ2-CE2 4.07Å; W156-Y160 PolarHBondContact O-N 2.85Å; N157-Y160 WeakPolarHBondContact CA-O 3.48Å; N157-Y160 CarbonylContact O-C 3.48Å; N157-Y160 VanDerWaalsContact O-C 3.27Å; Y160-M164 HydrophobicContact CD1-CB 4.17Å; Y160-I166 HydrophobicContact CD1-CG2 4.24Å; Y160-I166 HydrophobicContact CD2-CG2 3.43Å; Y160-I166 VanDerWaalsContact CD2-CG2 3.43Å; Y160-I166 HydrophobicContact CE2-CG2 3.84Å; Y160-I166 HydrophobicContact CG-CG2 3.68Å; Y160-D169 HydrophobicContact CD1-CB 3.93Å; Y160-D169 HydrophobicContact CE1-CB 3.86Å; Y160-T170 PolarHBondContact OH-O 3.34Å; Y160-I171 WeakPolarHBondContact OH-CA 3.43Å; Y160-H173 HydrophobicContact CD1-CB 4.44Å; Y160-H173 AromaticContact CD1-CD2 3.95Å; Y160-H173 HydrophobicContact CE1-CB 3.68Å; Y160-H173 AromaticContact CE1-CD2 3.91Å; Y160-A174 HydrophobicContact CE2-CB 3.89Å; Y160-A174 WeakPolarHBondContact OH-CB 3.32Å; Y160-A174 PolarHBondContact OH-N 3.05Å; Y160-A174 VanDerWaalsContact OH-N 3.14Å; Y160-A206 HydrophobicContact CE1-CB 4.08Å; Y160-A206 HydrophobicContact CE2-CB 4.32Å; Y160-A206 WeakPolarHBondContact OH-CB 3.48Å
161P96.4Very high96.7Very high63 Ų6364 Ų6441%0.40935%0.346SS..  trans-72151178.829.9-35.3000110.9N157 I159 M164N157-P161 WeakPolarHBondContact O-CA 3.29Å; N157-P161 WeakPolarHBondContact O-CB 3.44Å; I159-P161 WeakPolarHBondContact O-CD 3.39Å; P161-M164 WeakPolarHBondContact O-CA 3.2Å; P161-M164 VanDerWaalsContact O-CB 3.26Å; P161-M164 WeakPolarHBondContact O-CB 3.31Å; P161-M164 PolarHBondContact O-N 3Å
162P95.5Very high96.8Very high104 Ų10458.6 Ų58.668%0.67532%0.319SS*.THydrogen-bonded Turntrans-50.7138.2175.1-28.435.3000112.6
163P95.5Very high96.8Very high133 Ų13358 Ų5886%0.86431%0.313SS*.THydrogen-bonded Turncis-84.85.910.835.8-37.3000115.3
164M96.8Very high96.9Very high65 Ų6555.2 Ų55.232%0.3230%0.296SS..  trans-70.5153178.7-62.2179.6171.900112.4Y160 P161 D169 H173Y160-M164 HydrophobicContact CD1-CB 4.17Å; P161-M164 WeakPolarHBondContact O-CA 3.2Å; P161-M164 VanDerWaalsContact O-CB 3.26Å; P161-M164 WeakPolarHBondContact O-CB 3.31Å; P161-M164 PolarHBondContact O-N 3Å; M164-D169 WeakPolarHBondContact CA-OD2 3.47Å; M164-D169 WeakPolarHBondContact CB-OD2 3.28Å; M164-H173 PolarHBondContact SD-CE1 3.5Å
165D96.4Very high96.9Very high35 Ų3551 Ų5119%0.18727%0.267CS..  trans-150.3129.8-179.5-172.2-31.6000109.6W156 K167 K168 D169W156-D165 HydrophobicContact CH2-CB 4.43Å; D165-K167 PolarHBondContact O-N 3.12Å; D165-K167 WeakPolarHBondContact OD1-CB 3.29Å; D165-K167 PolarHBondContact OD1-N 2.69Å; D165-K168 HydrophobicContact CB-CB 4.39Å; D165-K168 HydrophobicContact CB-CD 4.27Å; D165-K168 HydrophobicContact CB-CG 4.33Å; D165-K168 PolarHBondContact O-N 2.75Å; D165-D169 PolarHBondContact N-OD2 3.46Å; D165-D169 PolarHBondContact O-N 3.46Å
166I97.5Very high97Very high0 Ų054.8 Ų54.80%029%0.286CS..THydrogen-bonded Turntrans-59.1-19.9178.259.6169.9000113.7I148 V150 W156 Y160 K168 A206 I207 I210I148-I166 HydrophobicContact CG2-CD1 3.98Å; V150-I166 HydrophobicContact CG2-CD1 4.45Å; W156-I166 HydrophobicContact CB-CD1 4.24Å; W156-I166 HydrophobicContact CB-CG2 3.94Å; W156-I166 HydrophobicContact CD2-CD1 3.91Å; W156-I166 HydrophobicContact CD2-CG1 3.86Å; W156-I166 HydrophobicContact CD2-CG2 4Å; W156-I166 HydrophobicContact CE3-CG1 4.25Å; W156-I166 HydrophobicContact CE3-CG2 3.91Å; W156-I166 HydrophobicContact CG-CD1 3.66Å; W156-I166 HydrophobicContact CG-CG1 4.13Å; W156-I166 HydrophobicContact CG-CG2 4.07Å; W156-I166 HydrophobicContact CZ2-CG1 4.31Å; Y160-I166 HydrophobicContact CD1-CG2 4.24Å; Y160-I166 HydrophobicContact CD2-CG2 3.43Å; Y160-I166 VanDerWaalsContact CD2-CG2 3.43Å; Y160-I166 HydrophobicContact CE2-CG2 3.84Å; Y160-I166 HydrophobicContact CG-CG2 3.68Å; I166-K168 VanDerWaalsContact C-N 3.3Å; I166-A206 HydrophobicContact CB-CB 4.24Å; I166-A206 HydrophobicContact CG2-CB 4.43Å; I166-A206 PolarHBondContact O-N 2.98Å; I166-I207 HydrophobicContact CD1-CD1 4.1Å; I166-I207 WeakPolarHBondContact O-CB 3.28Å; I166-I207 PolarHBondContact O-N 3.12Å; I166-I210 HydrophobicContact CB-CD1 4.47Å; I166-I210 HydrophobicContact CD1-CD1 4.5Å; I166-I210 HydrophobicContact CG2-CD1 4.32Å
167K97Very high97Very high104 Ų10456.7 Ų56.745%0.45230%0.301SS..THydrogen-bonded Turntrans-80.5-9.4175.9-62.9178.3179.6177.20113.2V150 D165 P205V150-K167 HydrophobicContact CG2-CD 4.47Å; V150-K167 HydrophobicContact CG2-CG 4.45Å; D165-K167 PolarHBondContact O-N 3.12Å; D165-K167 WeakPolarHBondContact OD1-CB 3.29Å; D165-K167 PolarHBondContact OD1-N 2.69Å; K167-P205 WeakPolarHBondContact O-CB 3.44Å
168K96.4Very high97Very high161 Ų16155.4 Ų55.470%0.729%0.293SS*.THydrogen-bonded Turntrans-127.2-47.2-174.1-62.4178.7-175.1168.90112.4D165 I166D165-K168 HydrophobicContact CB-CB 4.39Å; D165-K168 HydrophobicContact CB-CD 4.27Å; D165-K168 HydrophobicContact CB-CG 4.33Å; D165-K168 PolarHBondContact O-N 2.75Å; I166-K168 VanDerWaalsContact C-N 3.3Å
169D97.7Very high97.2Very high53 Ų5353.8 Ų53.828%0.28329%0.293SS..SBendtrans-83.3153.9-176.6-62.7-79.7000111.4Y160 M164 D165 P205 A206Y160-D169 HydrophobicContact CD1-CB 3.93Å; Y160-D169 HydrophobicContact CE1-CB 3.86Å; M164-D169 WeakPolarHBondContact CA-OD2 3.47Å; M164-D169 WeakPolarHBondContact CB-OD2 3.28Å; D165-D169 PolarHBondContact N-OD2 3.46Å; D165-D169 PolarHBondContact O-N 3.46Å; D169-P205 CarbonylContact O-C 3.57Å; D169-P205 WeakPolarHBondContact O-CA 3.35Å; D169-A206 WeakPolarHBondContact O-CB 3.36Å; D169-A206 PolarHBondContact O-N 3.13Å
170T97.6Very high97.1Very high35 Ų3553.4 Ų53.422%0.21529%0.292CS..BIsolated β-bridgetrans-83.2158.4-17173.70000112.3Y160 S172 H173 K201Y160-T170 PolarHBondContact OH-O 3.34Å; T170-S172 PolarHBondContact O-N 2.96Å; T170-S172 VanDerWaalsContact O-N 3.14Å; T170-H173 PolarHBondContact O-N 3.14Å; T170-K201 WeakPolarHBondContact CB-O 3.49Å; T170-K201 PolarHBondContact OG1-O 3.24Å
171I97.5Very high97Very high0 Ų055.9 Ų55.90%031%0.305CS..Hα-helixtrans-62.2-21.5179.1-164.665.1000113.2Y160 H173 A174 F175 Y200 A206 V209 I210Y160-I171 WeakPolarHBondContact OH-CA 3.43Å; I171-H173 PolarHBondContact O-N 2.89Å; I171-H173 VanDerWaalsContact O-N 3.12Å; I171-A174 HydrophobicContact CD1-CB 3.97Å; I171-A174 PolarHBondContact O-N 3.33Å; I171-F175 HydrophobicContact CB-CE2 4.34Å; I171-F175 HydrophobicContact CG1-CD1 4.29Å; I171-F175 HydrophobicContact CG1-CD2 4.33Å; I171-F175 HydrophobicContact CG1-CE1 3.89Å; I171-F175 HydrophobicContact CG1-CE2 3.96Å; I171-F175 HydrophobicContact CG1-CZ 3.72Å; I171-F175 HydrophobicContact CG2-CD2 4.02Å; I171-F175 HydrophobicContact CG2-CE2 3.53Å; I171-F175 HydrophobicContact CG2-CZ 4.05Å; I171-F175 PolarHBondContact O-N 2.9Å; I171-Y200 HydrophobicContact CG2-CD2 4.26Å; I171-Y200 HydrophobicContact CG2-CE2 4.02Å; I171-A206 HydrophobicContact CB-CB 4.47Å; I171-A206 HydrophobicContact CD1-CB 4.11Å; I171-V209 HydrophobicContact CB-CB 4.16Å; I171-V209 HydrophobicContact CB-CG1 4.47Å; I171-V209 HydrophobicContact CB-CG2 3.84Å; I171-V209 HydrophobicContact CD1-CB 4.11Å; I171-V209 HydrophobicContact CD1-CG1 4.26Å; I171-V209 HydrophobicContact CG1-CB 3.99Å; I171-V209 HydrophobicContact CG1-CG1 3.92Å; I171-V209 HydrophobicContact CG1-CG2 4.2Å; I171-V209 HydrophobicContact CG2-CG2 3.89Å; I171-I210 HydrophobicContact CD1-CG1 4.47Å
172S97Very high96.9Very high15 Ų1559.1 Ų59.111%0.10531%0.313CS..Hα-helixtrans-52.8-33.4176.4-70.20000112.1T170 F175 N176 K201 E202T170-S172 PolarHBondContact O-N 2.96Å; T170-S172 VanDerWaalsContact O-N 3.14Å; S172-F175 PolarHBondContact O-N 3.32Å; S172-N176 WeakPolarHBondContact O-CB 3.44Å; S172-N176 PolarHBondContact O-N 3.35Å; S172-N176 PolarHBondContact O-ND2 3.07Å; S172-N176 VanDerWaalsContact O-ND2 3.11Å; S172-K201 PolarHBondContact OG-O 3.3Å; S172-E202 PolarHBondContact OG-OE1 2.85Å
173H97.2Very high96.7Very high51 Ų5159.1 Ų59.124%0.23630%0.304CS..Hα-helixtrans-62.3-49174.8-174.673.4000112.2I159 Y160 M164 T170 I171 N176 S177I159-H173 PolarHBondContact O-CD2 3.22Å; I159-H173 PolarHBondContact O-NE2 2.93Å; Y160-H173 HydrophobicContact CD1-CB 4.44Å; Y160-H173 AromaticContact CD1-CD2 3.95Å; Y160-H173 HydrophobicContact CE1-CB 3.68Å; Y160-H173 AromaticContact CE1-CD2 3.91Å; M164-H173 PolarHBondContact SD-CE1 3.5Å; T170-H173 PolarHBondContact O-N 3.14Å; I171-H173 PolarHBondContact O-N 2.89Å; I171-H173 VanDerWaalsContact O-N 3.12Å; H173-N176 PolarHBondContact O-N 2.97Å; H173-S177 PolarHBondContact NE2-OG 3.02Å; H173-S177 WeakPolarHBondContact O-CB 3.33Å; H173-S177 PolarHBondContact O-N 3.39Å; H173-S177 PolarHBondContact O-OG 2.92Å; H173-S177 VanDerWaalsContact O-OG 3.1Å
174A97.9Very high96.6Very high0 Ų053 Ų530%026%0.263CS..Hα-helixtrans-61.5-45.5175.200000111.7L141 W144 I159 Y160 I171 N176 S177 F178L141-A174 HydrophobicContact CD1-CB 4.24Å; W144-A174 HydrophobicContact CH2-CB 3.95Å; W144-A174 HydrophobicContact CZ3-CB 3.73Å; I159-A174 HydrophobicContact CG2-CB 4.08Å; Y160-A174 HydrophobicContact CE2-CB 3.89Å; Y160-A174 WeakPolarHBondContact OH-CB 3.32Å; Y160-A174 PolarHBondContact OH-N 3.05Å; Y160-A174 VanDerWaalsContact OH-N 3.14Å; I171-A174 HydrophobicContact CD1-CB 3.97Å; I171-A174 PolarHBondContact O-N 3.33Å; A174-N176 VanDerWaalsContact C-N 3.28Å; A174-N176 PolarHBondContact O-N 3.44Å; A174-S177 PolarHBondContact O-N 2.89Å; A174-F178 VanDerWaalsContact O-CD2 3.28Å; A174-F178 WeakPolarHBondContact O-CD2 3.29Å; A174-F178 PolarHBondContact O-N 3.27Å
175F97.9Very high96.5Very high0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-56.5-43.6178.5-68.1-29000112.1L141 I171 S172 N179 I180 Q185 I188 Y200L141-F175 HydrophobicContact CD2-CD1 3.81Å; L141-F175 HydrophobicContact CD2-CE1 3.78Å; I171-F175 HydrophobicContact CB-CE2 4.34Å; I171-F175 HydrophobicContact CG1-CD1 4.29Å; I171-F175 HydrophobicContact CG1-CD2 4.33Å; I171-F175 HydrophobicContact CG1-CE1 3.89Å; I171-F175 HydrophobicContact CG1-CE2 3.96Å; I171-F175 HydrophobicContact CG1-CZ 3.72Å; I171-F175 HydrophobicContact CG2-CD2 4.02Å; I171-F175 HydrophobicContact CG2-CE2 3.53Å; I171-F175 HydrophobicContact CG2-CZ 4.05Å; I171-F175 PolarHBondContact O-N 2.9Å; S172-F175 PolarHBondContact O-N 3.32Å; F175-N179 PolarHBondContact O-N 3.29Å; F175-I180 HydrophobicContact CB-CB 4.42Å; F175-I180 HydrophobicContact CD1-CB 4.47Å; F175-I180 HydrophobicContact CD1-CG1 4.45Å; F175-I180 PolarHBondContact O-N 2.72Å; F175-Q185 HydrophobicContact CB-CG 4.05Å; F175-Q185 HydrophobicContact CD1-CG 4.14Å; F175-Q185 HydrophobicContact CD2-CB 4.23Å; F175-Q185 HydrophobicContact CD2-CG 3.53Å; F175-Q185 HydrophobicContact CE1-CG 4.45Å; F175-Q185 HydrophobicContact CE2-CB 4.09Å; F175-Q185 HydrophobicContact CE2-CG 3.87Å; F175-Q185 HydrophobicContact CG-CG 3.67Å; F175-Q185 HydrophobicContact CZ-CB 4.49Å; F175-Q185 HydrophobicContact CZ-CG 4.32Å; F175-I188 HydrophobicContact CE1-CD1 3.98Å; F175-I188 HydrophobicContact CE1-CG2 4.48Å; F175-I188 HydrophobicContact CZ-CG2 4.35Å; F175-Y200 HydrophobicContact CE2-CE2 4.27Å; F175-Y200 HydrophobicContact CZ-CE2 4.48Å
176N97.4Very high96.3Very high109 Ų10949.8 Ų49.858%0.58325%0.247SC*.Hα-helixtrans-65.6-46.5175.3-69.9-29.3000112S172 H173 A174 F178 N179S172-N176 WeakPolarHBondContact O-CB 3.44Å; S172-N176 PolarHBondContact O-N 3.35Å; S172-N176 PolarHBondContact O-ND2 3.07Å; S172-N176 VanDerWaalsContact O-ND2 3.11Å; H173-N176 PolarHBondContact O-N 2.97Å; A174-N176 VanDerWaalsContact C-N 3.28Å; A174-N176 PolarHBondContact O-N 3.44Å; N176-F178 VanDerWaalsContact C-N 3.3Å; N176-F178 PolarHBondContact O-N 2.93Å; N176-N179 WeakPolarHBondContact O-CA 3.5Å; N176-N179 PolarHBondContact O-N 3.37Å
177S97.7Very high96.1Very high53 Ų5350.5 Ų50.537%0.37125%0.25SS..Hα-helixtrans-60.8-36.4179.7-690000113H173 A174 N179H173-S177 PolarHBondContact NE2-OG 3.02Å; H173-S177 WeakPolarHBondContact O-CB 3.33Å; H173-S177 PolarHBondContact O-N 3.39Å; H173-S177 PolarHBondContact O-OG 2.92Å; H173-S177 VanDerWaalsContact O-OG 3.1Å; A174-S177 PolarHBondContact O-N 2.89Å; S177-N179 VanDerWaalsContact C-N 3.33Å
178F97.7Very high96Very high26 Ų2645.6 Ų45.611%0.11423%0.229CC..THydrogen-bonded Turntrans-86.3-1.5173.6-73.6-82.5000113.8R137 K140 L141 W144 I159 A174 N176 I180R137-F178 WeakPolarHBondContact CD-O 3.26Å; K140-F178 HydrophobicContact CB-CD1 3.96Å; K140-F178 HydrophobicContact CB-CE1 3.98Å; L141-F178 HydrophobicContact CB-CB 4.2Å; L141-F178 HydrophobicContact CB-CD1 4.2Å; L141-F178 HydrophobicContact CB-CD2 4.2Å; L141-F178 HydrophobicContact CB-CG 3.95Å; L141-F178 HydrophobicContact CD1-CB 4.42Å; L141-F178 HydrophobicContact CD1-CD2 3.36Å; L141-F178 HydrophobicContact CD1-CE2 3.72Å; L141-F178 HydrophobicContact CD1-CG 3.97Å; L141-F178 HydrophobicContact CG-CD2 4.37Å; W144-F178 HydrophobicContact CB-CE1 4.37Å; W144-F178 HydrophobicContact CB-CE2 4.31Å; W144-F178 HydrophobicContact CB-CZ 3.64Å; W144-F178 AromaticContact CD2-CE2 3.74Å; W144-F178 HydrophobicContact CD2-CE2 3.74Å; W144-F178 AromaticContact CD2-CZ 3.89Å; W144-F178 HydrophobicContact CD2-CZ 3.89Å; W144-F178 AromaticContact CE3-CE2 3.65Å; W144-F178 HydrophobicContact CE3-CE2 3.65Å; W144-F178 HydrophobicContact CE3-CZ 4.16Å; W144-F178 HydrophobicContact CG-CE2 4.08Å; W144-F178 AromaticContact CG-CZ 3.7Å; W144-F178 HydrophobicContact CG-CZ 3.7Å; W144-F178 HydrophobicContact CZ3-CE2 4.33Å; I159-F178 HydrophobicContact CD1-CD2 4.28Å; I159-F178 HydrophobicContact CD1-CE2 3.52Å; I159-F178 HydrophobicContact CD1-CZ 3.66Å; I159-F178 HydrophobicContact CG1-CE2 3.71Å; I159-F178 HydrophobicContact CG1-CZ 3.96Å; I159-F178 HydrophobicContact CG2-CE2 4.38Å; A174-F178 VanDerWaalsContact O-CD2 3.28Å; A174-F178 WeakPolarHBondContact O-CD2 3.29Å; A174-F178 PolarHBondContact O-N 3.27Å; N176-F178 VanDerWaalsContact C-N 3.3Å; N176-F178 PolarHBondContact O-N 2.93Å; F178-I180 HydrophobicContact CB-CD1 4.02Å; F178-I180 HydrophobicContact CB-CG1 3.85Å
179N97.6Very high96Very high106 Ų10637.9 Ų37.957%0.56720%0.195SC*.THydrogen-bonded Turntrans56.540.8-176.8-60.1-85.8000113.8R137 F175 N176 S177R137-N179 WeakPolarHBondContact CD-O 3.37Å; R137-N179 PolarHBondContact NE-O 2.74Å; R137-N179 VanDerWaalsContact NE-O 3.17Å; R137-N179 PolarHBondContact NH1-O 3.38Å; F175-N179 PolarHBondContact O-N 3.29Å; N176-N179 WeakPolarHBondContact O-CA 3.5Å; N176-N179 PolarHBondContact O-N 3.37Å; S177-N179 VanDerWaalsContact C-N 3.33Å
180I97.5Very high95.8Very high9 Ų935.4 Ų35.45%0.04618%0.182CC..  trans-77.3130.8-179.2-54-62.7000110.1R137 L141 F175 F178 T184 Q185 I188R137-I180 HydrophobicContact CB-CD1 3.76Å; L141-I180 HydrophobicContact CB-CD1 4.19Å; L141-I180 HydrophobicContact CD2-CD1 4.25Å; L141-I180 HydrophobicContact CD2-CG1 3.92Å; F175-I180 HydrophobicContact CB-CB 4.42Å; F175-I180 HydrophobicContact CD1-CB 4.47Å; F175-I180 HydrophobicContact CD1-CG1 4.45Å; F175-I180 PolarHBondContact O-N 2.72Å; F178-I180 HydrophobicContact CB-CD1 4.02Å; F178-I180 HydrophobicContact CB-CG1 3.85Å; I180-T184 HydrophobicContact CG2-CG2 3.55Å; I180-Q185 HydrophobicContact CB-CG 4.34Å; I180-Q185 HydrophobicContact CG2-CG 3.87Å; I180-Q185 PolarHBondContact O-NE2 2.74Å; I180-I188 HydrophobicContact CG2-CD1 4.5Å
181N95.3Very high95.7Very high51 Ų5133.7 Ų33.727%0.27317%0.172SC..  trans-74.5168.7179.572.87.6000112.1E134 E183 T184 Q185E134-N181 PolarHBondContact OE1-N 3.27Å; E134-N181 PolarHBondContact OE1-OD1 2.89Å; E134-N181 VanDerWaalsContact OE1-OD1 3.05Å; N181-E183 VanDerWaalsContact C-N 3.32Å; N181-E183 PolarHBondContact ND2-OE2 2.85Å; N181-E183 PolarHBondContact O-N 3.3Å; N181-E183 PolarHBondContact OD1-N 2.83Å; N181-E183 PolarHBondContact OD1-OE2 2.56Å; N181-T184 PolarHBondContact O-N 3.31Å; N181-T184 WeakPolarHBondContact OD1-CB 3.37Å; N181-T184 PolarHBondContact OD1-N 2.95Å; N181-T184 PolarHBondContact OD1-OG1 3.2Å; N181-Q185 VanDerWaalsContact O-CG 3.23Å; N181-Q185 WeakPolarHBondContact O-CG 3.45Å; N181-Q185 PolarHBondContact O-N 3.46Å
182K93.4Very high95.6Very high132 Ų13234 Ų3457%0.57417%0.173SC*.Hα-helixtrans-64.3-38.2-175-172.1177.8179.2-177.50111.9Q185 N186K182-Q185 WeakPolarHBondContact O-CB 3.34Å; K182-Q185 PolarHBondContact O-N 3Å; K182-N186 VanDerWaalsContact O-CG 3.32Å; K182-N186 PolarHBondContact O-N 3.01Å; K182-N186 PolarHBondContact O-OD1 3.34Å; K182-N186 VanDerWaalsContact O-OD1 3.07Å
183E91.7Very high95.5Very high104 Ų10433.4 Ų33.449%0.48617%0.169SC..Hα-helixtrans-62.1-46.7-179.7-61.176.2-167.400111.3N181 N186 F187N181-E183 VanDerWaalsContact C-N 3.32Å; N181-E183 PolarHBondContact ND2-OE2 2.85Å; N181-E183 PolarHBondContact O-N 3.3Å; N181-E183 PolarHBondContact OD1-N 2.83Å; N181-E183 PolarHBondContact OD1-OE2 2.56Å; E183-N186 PolarHBondContact O-N 3.01Å; E183-F187 PolarHBondContact O-N 2.49Å
184T93.8Very high95.4Very high3 Ų331.4 Ų31.42%0.01816%0.16CC..Hα-helixtrans-68.2-36.4176.2-56.90000111.6M130 E134 F138 I180 N181 F187 I188M130-T184 HydrophobicContact SD-CG2 3.62Å; M130-T184 PolarHBondContact SD-OG1 2.83Å; E134-T184 WeakPolarHBondContact CG-OG1 3.24Å; E134-T184 WeakPolarHBondContact OE1-CB 3.37Å; E134-T184 PolarHBondContact OE1-OG1 2.81Å; F138-T184 HydrophobicContact CB-CG2 4.21Å; F138-T184 HydrophobicContact CD2-CG2 4Å; F138-T184 HydrophobicContact CG-CG2 4.32Å; I180-T184 HydrophobicContact CG2-CG2 3.55Å; N181-T184 PolarHBondContact O-N 3.31Å; N181-T184 WeakPolarHBondContact OD1-CB 3.37Å; N181-T184 PolarHBondContact OD1-N 2.95Å; N181-T184 PolarHBondContact OD1-OG1 3.2Å; T184-F187 HydrophobicContact CG2-CD1 4.48Å; T184-F187 PolarHBondContact O-N 3.35Å; T184-I188 HydrophobicContact CG2-CD1 3.99Å; T184-I188 HydrophobicContact CG2-CG1 4.43Å; T184-I188 VanDerWaalsContact O-CG1 3.25Å; T184-I188 WeakPolarHBondContact O-CG1 3.42Å; T184-I188 PolarHBondContact O-N 3.22Å
185Q94.9Very high95.2Very high25 Ų2532.4 Ų32.412%0.11716%0.164CC..Hα-helixtrans-59.7-47.5173.3-69.5173.628.300110.9F175 I180 N181 K182 F187 I188 G189 Y200F175-Q185 HydrophobicContact CB-CG 4.05Å; F175-Q185 HydrophobicContact CD1-CG 4.14Å; F175-Q185 HydrophobicContact CD2-CB 4.23Å; F175-Q185 HydrophobicContact CD2-CG 3.53Å; F175-Q185 HydrophobicContact CE1-CG 4.45Å; F175-Q185 HydrophobicContact CE2-CB 4.09Å; F175-Q185 HydrophobicContact CE2-CG 3.87Å; F175-Q185 HydrophobicContact CG-CG 3.67Å; F175-Q185 HydrophobicContact CZ-CB 4.49Å; F175-Q185 HydrophobicContact CZ-CG 4.32Å; I180-Q185 HydrophobicContact CB-CG 4.34Å; I180-Q185 HydrophobicContact CG2-CG 3.87Å; I180-Q185 PolarHBondContact O-NE2 2.74Å; N181-Q185 VanDerWaalsContact O-CG 3.23Å; N181-Q185 WeakPolarHBondContact O-CG 3.45Å; N181-Q185 PolarHBondContact O-N 3.46Å; K182-Q185 WeakPolarHBondContact O-CB 3.34Å; K182-Q185 PolarHBondContact O-N 3Å; Q185-F187 PolarHBondContact O-N 2.92Å; Q185-I188 PolarHBondContact O-N 2.89Å; Q185-G189 PolarHBondContact O-N 3.28Å; Q185-Y200 PolarHBondContact O-OH 3.37Å
186N91.9Very high94.7Very high8 Ų836 Ų364%0.04318%0.181CC..Hα-helixtrans-59.8-47.2176.9-70.816.6000110.6K182 E183 I188 G189 H190 D198 K201 S328K182-N186 VanDerWaalsContact O-CG 3.32Å; K182-N186 PolarHBondContact O-N 3.01Å; K182-N186 PolarHBondContact O-OD1 3.34Å; K182-N186 VanDerWaalsContact O-OD1 3.07Å; E183-N186 PolarHBondContact O-N 3.01Å; N186-I188 VanDerWaalsContact C-N 3.35Å; N186-I188 PolarHBondContact O-N 3.35Å; N186-G189 PolarHBondContact O-N 2.8Å; N186-H190 WeakPolarHBondContact O-CB 3.42Å; N186-H190 PolarHBondContact O-CD2 3.47Å; N186-H190 PolarHBondContact O-N 3.24Å; N186-D198 PolarHBondContact OD1-OD1 2.73Å; N186-K201 PolarHBondContact OD1-NZ 3.17Å; N186-S328 PolarHBondContact ND2-OG 3.02Å; N186-S328 VanDerWaalsContact ND2-OG 3.17Å
187F92.8Very high94.2Very high16 Ų1633.7 Ų33.77%0.0717%0.169CC..Hα-helixtrans-54.1-48.2174.1157.5-107000112.6V108 V117 P118 L129 M130 F138 E183 T184 Q185 A191 I192V108-F187 HydrophobicContact CB-CD2 4.38Å; V108-F187 HydrophobicContact CG1-CD2 3.8Å; V108-F187 HydrophobicContact CG1-CE2 4.01Å; V108-F187 HydrophobicContact CG2-CD2 4.42Å; V117-F187 HydrophobicContact CB-CE2 4.31Å; V117-F187 HydrophobicContact CG1-CE2 3.83Å; V117-F187 HydrophobicContact CG1-CZ 3.91Å; V117-F187 HydrophobicContact CG2-CE2 4.21Å; P118-F187 VanDerWaalsContact CD-CZ 3.46Å; P118-F187 HydrophobicContact CG-CE1 4.08Å; P118-F187 HydrophobicContact CG-CZ 3.69Å; L129-F187 HydrophobicContact CD1-CD2 4.32Å; L129-F187 HydrophobicContact CD1-CE2 4.03Å; L129-F187 HydrophobicContact CD1-CZ 4.42Å; M130-F187 HydrophobicContact CE-CE1 4.41Å; F138-F187 HydrophobicContact CE1-CE1 4.34Å; F138-F187 AromaticContact CE2-CE1 3.98Å; F138-F187 HydrophobicContact CE2-CE1 3.98Å; F138-F187 AromaticContact CZ-CE1 3.79Å; F138-F187 HydrophobicContact CZ-CE1 3.79Å; E183-F187 PolarHBondContact O-N 2.49Å; T184-F187 HydrophobicContact CG2-CD1 4.48Å; T184-F187 PolarHBondContact O-N 3.35Å; Q185-F187 PolarHBondContact O-N 2.92Å; F187-A191 HydrophobicContact CD2-CB 3.8Å; F187-A191 HydrophobicContact CE2-CB 3.89Å; F187-A191 WeakPolarHBondContact O-CA 3.18Å; F187-A191 VanDerWaalsContact O-CB 3.26Å; F187-A191 WeakPolarHBondContact O-CB 3.44Å; F187-A191 PolarHBondContact O-N 3.38Å; F187-I192 HydrophobicContact CE1-CD1 3.79Å; F187-I192 HydrophobicContact CE1-CG1 4.43Å; F187-I192 HydrophobicContact CE2-CG1 4.42Å; F187-I192 HydrophobicContact CZ-CD1 3.68Å; F187-I192 HydrophobicContact CZ-CG1 3.96Å
188I95.3Very high93.9Very high0 Ų033.3 Ų33.30%016%0.162CC..Iπ-helixtrans-61.9-48.9178.5-67.4163.4000110.7F138 L141 F175 I180 T184 Q185 N186 I192 C193 V213F138-I188 HydrophobicContact CD2-CD1 3.91Å; F138-I188 HydrophobicContact CD2-CG1 4.2Å; F138-I188 HydrophobicContact CE2-CD1 3.94Å; F138-I188 HydrophobicContact CE2-CG1 3.79Å; L141-I188 HydrophobicContact CD2-CD1 3.71Å; F175-I188 HydrophobicContact CE1-CD1 3.98Å; F175-I188 HydrophobicContact CE1-CG2 4.48Å; F175-I188 HydrophobicContact CZ-CG2 4.35Å; I180-I188 HydrophobicContact CG2-CD1 4.5Å; T184-I188 HydrophobicContact CG2-CD1 3.99Å; T184-I188 HydrophobicContact CG2-CG1 4.43Å; T184-I188 VanDerWaalsContact O-CG1 3.25Å; T184-I188 WeakPolarHBondContact O-CG1 3.42Å; T184-I188 PolarHBondContact O-N 3.22Å; Q185-I188 PolarHBondContact O-N 2.89Å; N186-I188 VanDerWaalsContact C-N 3.35Å; N186-I188 PolarHBondContact O-N 3.35Å; I188-I192 HydrophobicContact CG1-CD1 4.5Å; I188-I192 WeakPolarHBondContact O-CB 3.45Å; I188-I192 PolarHBondContact O-N 2.86Å; I188-C193 PolarHBondContact O-N 2.79Å; I188-V213 HydrophobicContact CG2-CG2 4.39Å
189G95.5Very high93.5Very high0 Ų035 Ų350%018%0.178CC..Iπ-helixtrans-60.8-50-177.700000112.9Q185 N186 C193 L194 F195 Y200Q185-G189 PolarHBondContact O-N 3.28Å; N186-G189 PolarHBondContact O-N 2.8Å; G189-C193 CarbonylContact O-C 3.5Å; G189-C193 WeakPolarHBondContact O-CB 3.43Å; G189-L194 PolarHBondContact O-N 2.95Å; G189-F195 PolarHBondContact O-N 3.39Å; G189-Y200 VanDerWaalsContact CA-CZ 3.49Å; G189-Y200 WeakPolarHBondContact CA-OH 3.43Å
190H94.9Very high93.3Very high0 Ų030.1 Ų30.10%015%0.151CC..Iπ-helixtrans-87.5-41.4-170.7-67.6-96.7000112.8N186 L194 F195 D198 I324 D335N186-H190 WeakPolarHBondContact O-CB 3.42Å; N186-H190 PolarHBondContact O-CD2 3.47Å; N186-H190 PolarHBondContact O-N 3.24Å; H190-L194 WeakPolarHBondContact O-CA 3.22Å; H190-F195 PolarHBondContact ND1-O 3.42Å; H190-D198 IonicContact NE2-OD1 3.2Å; H190-D198 PolarHBondContact NE2-OD1 3.29Å; H190-I324 WeakPolarHBondContact O-CD1 3.41Å; H190-D335 IonicContact CE1-OD1 2.76Å; H190-D335 IonicContact CE1-OD2 2.72Å; H190-D335 IonicContact CG-OD2 2.78Å; H190-D335 VanDerWaalsContact ND1-CG 3.3Å; H190-D335 IonicContact ND1-OD1 3.87Å; H190-D335 PolarHBondContact ND1-OD1 2.97Å; H190-D335 VanDerWaalsContact ND1-OD1 3.13Å; H190-D335 IonicContact ND1-OD2 3.21Å; H190-D335 PolarHBondContact ND1-OD2 3.36Å
191A94.7Very high93.1Very high0 Ų030.5 Ų30.50%015%0.153CC..Iπ-helixtrans-94.7-28.3-172.800000114.6V108 V117 F187V108-A191 HydrophobicContact CB-CB 3.93Å; V108-A191 HydrophobicContact CG2-CB 3.94Å; V117-A191 HydrophobicContact CG2-CB 3.96Å; F187-A191 HydrophobicContact CD2-CB 3.8Å; F187-A191 HydrophobicContact CE2-CB 3.89Å; F187-A191 WeakPolarHBondContact O-CA 3.18Å; F187-A191 VanDerWaalsContact O-CB 3.26Å; F187-A191 WeakPolarHBondContact O-CB 3.44Å; F187-A191 PolarHBondContact O-N 3.38Å
192I95.4Very high93Very high5 Ų534.3 Ų34.33%0.02617%0.169CC..Iπ-helixtrans-99.1-51.3177.4-59177.4000110.3V117 F138 F187 I188 V213 Y216V117-I192 HydrophobicContact CG1-CD1 4.45Å; V117-I192 HydrophobicContact CG1-CG1 3.72Å; F138-I192 HydrophobicContact CE2-CD1 4.35Å; F138-I192 HydrophobicContact CZ-CD1 4.09Å; F187-I192 HydrophobicContact CE1-CD1 3.79Å; F187-I192 HydrophobicContact CE1-CG1 4.43Å; F187-I192 HydrophobicContact CE2-CG1 4.42Å; F187-I192 HydrophobicContact CZ-CD1 3.68Å; F187-I192 HydrophobicContact CZ-CG1 3.96Å; I188-I192 HydrophobicContact CG1-CD1 4.5Å; I188-I192 WeakPolarHBondContact O-CB 3.45Å; I188-I192 PolarHBondContact O-N 2.86Å; I192-V213 HydrophobicContact CG2-CB 4.41Å; I192-V213 HydrophobicContact CG2-CG2 4.02Å; I192-Y216 HydrophobicContact CG2-CD1 4.09Å; I192-Y216 HydrophobicContact CG2-CD2 4.23Å; I192-Y216 HydrophobicContact CG2-CG 3.8Å; I192-Y216 VanDerWaalsContact O-CD2 3.22Å; I192-Y216 WeakPolarHBondContact O-CD2 3.41Å
193C95.8Very high93Very high4 Ų431.9 Ų31.93%0.02717%0.168CC..SBendtrans-86.7-11.1-176-62.50000114I188 G189 F195 R212 V213I188-C193 PolarHBondContact O-N 2.79Å; G189-C193 CarbonylContact O-C 3.5Å; G189-C193 WeakPolarHBondContact O-CB 3.43Å; C193-F195 HydrophobicContact CB-CD2 3.47Å; C193-F195 VanDerWaalsContact CB-CD2 3.47Å; C193-F195 HydrophobicContact CB-CE2 3.52Å; C193-F195 PolarHBondContact O-N 2.85Å; C193-R212 HydrophobicContact CB-CB 4.03Å; C193-R212 WeakPolarHBondContact O-CD 3.44Å; C193-R212 PolarHBondContact O-NH1 3.22Å; C193-R212 VanDerWaalsContact O-NH1 3.13Å; C193-V213 VanDerWaalsContact SG-CG2 3.57Å
194L94.6Very high93.2Very high9 Ų928.3 Ų28.35%0.04715%0.154CC..  trans56.434.3176.6-45.2175.7000113M80 G189 H190 Y228 I324 H413M80-L194 HydrophobicContact CE-CD1 3.36Å; M80-L194 HydrophobicContact CE-CG 4.43Å; G189-L194 PolarHBondContact O-N 2.95Å; H190-L194 WeakPolarHBondContact O-CA 3.22Å; L194-Y228 HydrophobicContact CD1-CE1 4.44Å; L194-Y228 WeakPolarHBondContact CD1-OH 3.47Å; L194-Y228 WeakPolarHBondContact CD2-OH 3.48Å; L194-I324 HydrophobicContact CD2-CD1 3.72Å; L194-H413 WeakPolarHBondContact CB-NE2 3.42Å; L194-H413 HydrophobicContact CD1-CB 4.33Å
195F93.6Very high93.3Very high21 Ų2130.4 Ų30.49%0.09217%0.167CC..  trans-71.1144.9166.4-69.9-71.6000109.6G189 H190 C193 Y200 V204 E208 V209 R212G189-F195 PolarHBondContact O-N 3.39Å; H190-F195 PolarHBondContact ND1-O 3.42Å; C193-F195 HydrophobicContact CB-CD2 3.47Å; C193-F195 VanDerWaalsContact CB-CD2 3.47Å; C193-F195 HydrophobicContact CB-CE2 3.52Å; C193-F195 PolarHBondContact O-N 2.85Å; F195-Y200 HydrophobicContact CB-CD1 3.87Å; F195-Y200 HydrophobicContact CB-CE1 4.49Å; F195-Y200 HydrophobicContact CB-CG 4.19Å; F195-Y200 HydrophobicContact CD1-CG 4.16Å; F195-Y200 AromaticContact CD2-CD1 3.89Å; F195-Y200 HydrophobicContact CD2-CD1 3.89Å; F195-Y200 AromaticContact CD2-CD2 3.63Å; F195-Y200 HydrophobicContact CD2-CD2 3.63Å; F195-Y200 HydrophobicContact CD2-CE1 4.39Å; F195-Y200 HydrophobicContact CD2-CE2 4.16Å; F195-Y200 AromaticContact CD2-CG 3.48Å; F195-Y200 HydrophobicContact CD2-CG 3.48Å; F195-Y200 VanDerWaalsContact CD2-CG 3.48Å; F195-Y200 HydrophobicContact CE1-CG 4.43Å; F195-Y200 AromaticContact CE2-CD2 3.6Å; F195-Y200 HydrophobicContact CE2-CD2 3.6Å; F195-Y200 HydrophobicContact CE2-CE2 4.29Å; F195-Y200 AromaticContact CE2-CG 3.81Å; F195-Y200 HydrophobicContact CE2-CG 3.81Å; F195-Y200 AromaticContact CG-CD1 3.91Å; F195-Y200 HydrophobicContact CG-CD1 3.91Å; F195-Y200 HydrophobicContact CG-CD2 4.31Å; F195-Y200 AromaticContact CG-CG 3.69Å; F195-Y200 HydrophobicContact CG-CG 3.69Å; F195-Y200 HydrophobicContact CZ-CD2 4.25Å; F195-Y200 HydrophobicContact CZ-CG 4.27Å; F195-V204 HydrophobicContact CE1-CG2 4.48Å; F195-V204 HydrophobicContact CZ-CG2 4.07Å; F195-E208 HydrophobicContact CZ-CG 4.18Å; F195-V209 HydrophobicContact CE2-CG2 4.03Å; F195-V209 HydrophobicContact CZ-CG2 4.28Å; F195-R212 VanDerWaalsContact CE1-NH1 3.33Å
196Q87.9Confident93.5Very high74 Ų7429.2 Ų29.235%0.34616%0.162SC..SBendtrans-87-18.3-175.6-66.3-179.3-18.400113.2Q327 D409Q196-Q327 PolarHBondContact O-OE1 2.83Å; Q196-D409 PolarHBondContact NE2-OD2 2.88Å
197D87.1Confident93.7Very high62 Ų6230.3 Ų30.333%0.33217%0.168SC..SBendtrans-152.8171.618066.465.2000110.7S199 Y200D197-S199 VanDerWaalsContact C-N 3.31Å; D197-S199 PolarHBondContact O-N 3.02Å; D197-S199 WeakPolarHBondContact OD1-CA 3.45Å; D197-S199 WeakPolarHBondContact OD1-CB 3.29Å; D197-S199 PolarHBondContact OD1-N 2.91Å; D197-S199 PolarHBondContact OD1-OG 3.17Å; D197-Y200 VanDerWaalsContact O-CD1 3.29Å; D197-Y200 WeakPolarHBondContact O-CD1 3.36Å
198D89.5Confident93.9Very high44 Ų4433.1 Ų33.124%0.23518%0.181CC..THydrogen-bonded Turntrans-75.9-6.4-176-92.4-23000115.2N186 H190 Y200 K201N186-D198 PolarHBondContact OD1-OD1 2.73Å; H190-D198 IonicContact NE2-OD1 3.2Å; H190-D198 PolarHBondContact NE2-OD1 3.29Å; D198-Y200 PolarHBondContact O-N 3.1Å; D198-Y200 VanDerWaalsContact O-N 3.17Å; D198-K201 PolarHBondContact O-N 2.67Å; D198-K201 VanDerWaalsContact OD1-CE 3.29Å; D198-K201 WeakPolarHBondContact OD1-CE 3.35Å; D198-K201 IonicContact OD1-NZ 2.72Å; D198-K201 PolarHBondContact OD1-NZ 2.73Å; D198-K201 IonicContact OD2-NZ 2.61Å; D198-K201 PolarHBondContact OD2-NZ 3Å
199S90.7Very high94Very high63 Ų6333.1 Ų33.144%0.44118%0.181SC..THydrogen-bonded Turntrans-62.4-26-175.272.20000112.9D197 K201 E202 S203D197-S199 VanDerWaalsContact C-N 3.31Å; D197-S199 PolarHBondContact O-N 3.02Å; D197-S199 WeakPolarHBondContact OD1-CA 3.45Å; D197-S199 WeakPolarHBondContact OD1-CB 3.29Å; D197-S199 PolarHBondContact OD1-N 2.91Å; D197-S199 PolarHBondContact OD1-OG 3.17Å; S199-K201 PolarHBondContact O-N 2.85Å; S199-E202 PolarHBondContact O-N 2.58Å; S199-S203 VanDerWaalsContact C-OG 3.31Å; S199-S203 WeakPolarHBondContact O-CB 3.38Å; S199-S203 PolarHBondContact O-N 3.42Å; S199-S203 PolarHBondContact O-OG 2.77Å
200Y93.2Very high94.2Very high2 Ų233.1 Ų33.11%0.00818%0.181CC..Hα-helixtrans-53.4-29178.381.8-85.8000112.9I171 F175 Q185 G189 F195 D197 D198 E202 S203 V204 V209I171-Y200 HydrophobicContact CG2-CD2 4.26Å; I171-Y200 HydrophobicContact CG2-CE2 4.02Å; F175-Y200 HydrophobicContact CE2-CE2 4.27Å; F175-Y200 HydrophobicContact CZ-CE2 4.48Å; Q185-Y200 PolarHBondContact O-OH 3.37Å; G189-Y200 VanDerWaalsContact CA-CZ 3.49Å; G189-Y200 WeakPolarHBondContact CA-OH 3.43Å; F195-Y200 HydrophobicContact CB-CD1 3.87Å; F195-Y200 HydrophobicContact CB-CE1 4.49Å; F195-Y200 HydrophobicContact CB-CG 4.19Å; F195-Y200 HydrophobicContact CD1-CG 4.16Å; F195-Y200 AromaticContact CD2-CD1 3.89Å; F195-Y200 HydrophobicContact CD2-CD1 3.89Å; F195-Y200 AromaticContact CD2-CD2 3.63Å; F195-Y200 HydrophobicContact CD2-CD2 3.63Å; F195-Y200 HydrophobicContact CD2-CE1 4.39Å; F195-Y200 HydrophobicContact CD2-CE2 4.16Å; F195-Y200 AromaticContact CD2-CG 3.48Å; F195-Y200 HydrophobicContact CD2-CG 3.48Å; F195-Y200 VanDerWaalsContact CD2-CG 3.48Å; F195-Y200 HydrophobicContact CE1-CG 4.43Å; F195-Y200 AromaticContact CE2-CD2 3.6Å; F195-Y200 HydrophobicContact CE2-CD2 3.6Å; F195-Y200 HydrophobicContact CE2-CE2 4.29Å; F195-Y200 AromaticContact CE2-CG 3.81Å; F195-Y200 HydrophobicContact CE2-CG 3.81Å; F195-Y200 AromaticContact CG-CD1 3.91Å; F195-Y200 HydrophobicContact CG-CD1 3.91Å; F195-Y200 HydrophobicContact CG-CD2 4.31Å; F195-Y200 AromaticContact CG-CG 3.69Å; F195-Y200 HydrophobicContact CG-CG 3.69Å; F195-Y200 HydrophobicContact CZ-CD2 4.25Å; F195-Y200 HydrophobicContact CZ-CG 4.27Å; D197-Y200 VanDerWaalsContact O-CD1 3.29Å; D197-Y200 WeakPolarHBondContact O-CD1 3.36Å; D198-Y200 PolarHBondContact O-N 3.1Å; D198-Y200 VanDerWaalsContact O-N 3.17Å; Y200-E202 PolarHBondContact O-N 3.11Å; Y200-S203 WeakPolarHBondContact CA-OG 3.48Å; Y200-V204 VanDerWaalsContact O-CG2 3.28Å; Y200-V204 WeakPolarHBondContact O-CG2 3.26Å; Y200-V204 PolarHBondContact O-N 2.99Å; Y200-V209 HydrophobicContact CD2-CG2 3.9Å; Y200-V209 HydrophobicContact CE2-CG2 4.31Å
201K94Very high94.2Very high17 Ų1735.4 Ų35.47%0.07420%0.197CC..Hα-helixtrans-60.5-28.4-179.7-65.6172.8-175.8163.10112.4T170 S172 N186 D198 S199T170-K201 WeakPolarHBondContact CB-O 3.49Å; T170-K201 PolarHBondContact OG1-O 3.24Å; S172-K201 PolarHBondContact OG-O 3.3Å; N186-K201 PolarHBondContact OD1-NZ 3.17Å; D198-K201 PolarHBondContact O-N 2.67Å; D198-K201 VanDerWaalsContact OD1-CE 3.29Å; D198-K201 WeakPolarHBondContact OD1-CE 3.35Å; D198-K201 IonicContact OD1-NZ 2.72Å; D198-K201 PolarHBondContact OD1-NZ 2.73Å; D198-K201 IonicContact OD2-NZ 2.61Å; D198-K201 PolarHBondContact OD2-NZ 3Å; S199-K201 PolarHBondContact O-N 2.85Å
202E93Very high94.3Very high132 Ų13238.9 Ų38.962%0.61721%0.21SC*.Hα-helixtrans-120.3-18.3-177.2-55.5-53.2144.600113.5S172 S199 Y200S172-E202 PolarHBondContact OG-OE1 2.85Å; S199-E202 PolarHBondContact O-N 2.58Å; Y200-E202 PolarHBondContact O-N 3.11Å
203S92.9Very high94.4Very high80 Ų8038.7 Ų38.756%0.55921%0.209SC*.Hα-helixtrans-98.8-18.6-173.368.80000114.8S199 Y200S199-S203 VanDerWaalsContact C-OG 3.31Å; S199-S203 WeakPolarHBondContact O-CB 3.38Å; S199-S203 PolarHBondContact O-N 3.42Å; S199-S203 PolarHBondContact O-OG 2.77Å; Y200-S203 WeakPolarHBondContact CA-OG 3.48Å
204V94.5Very high94.4Very high30 Ų3040.2 Ų40.218%0.18222%0.216CC..SBendtrans-118.1145.7-179.8-48.70000112.1F195 Y200 E208 V209F195-V204 HydrophobicContact CE1-CG2 4.48Å; F195-V204 HydrophobicContact CZ-CG2 4.07Å; Y200-V204 VanDerWaalsContact O-CG2 3.28Å; Y200-V204 WeakPolarHBondContact O-CG2 3.26Å; Y200-V204 PolarHBondContact O-N 2.99Å; V204-E208 HydrophobicContact CB-CB 4.24Å; V204-E208 HydrophobicContact CB-CG 4.33Å; V204-E208 HydrophobicContact CG2-CB 4.12Å; V204-E208 HydrophobicContact CG2-CG 4.21Å; V204-V209 HydrophobicContact CG2-CG2 3.85Å
205P97.1Very high94.3Very high46 Ų4641.8 Ų41.830%0.29922%0.224SC..BIsolated β-bridgetrans-67.1152174.130.1-36.2000110.8K167 D169 I207 E208K167-P205 WeakPolarHBondContact O-CB 3.44Å; D169-P205 CarbonylContact O-C 3.57Å; D169-P205 WeakPolarHBondContact O-CA 3.35Å; P205-I207 HydrophobicContact CB-CG2 4.08Å; P205-I207 HydrophobicContact CG-CG2 3.95Å; P205-I207 PolarHBondContact O-N 3.23Å; P205-I207 VanDerWaalsContact O-N 3.08Å; P205-E208 WeakPolarHBondContact O-CB 3.24Å; P205-E208 PolarHBondContact O-N 3.14Å
206A97.9Very high94.4Very high0 Ų041 Ų410%022%0.22CC..Hα-helixtrans-55-32.9-176.600000113Y160 I166 D169 I171 E208 V209 I210Y160-A206 HydrophobicContact CE1-CB 4.08Å; Y160-A206 HydrophobicContact CE2-CB 4.32Å; Y160-A206 WeakPolarHBondContact OH-CB 3.48Å; I166-A206 HydrophobicContact CB-CB 4.24Å; I166-A206 HydrophobicContact CG2-CB 4.43Å; I166-A206 PolarHBondContact O-N 2.98Å; D169-A206 WeakPolarHBondContact O-CB 3.36Å; D169-A206 PolarHBondContact O-N 3.13Å; I171-A206 HydrophobicContact CB-CB 4.47Å; I171-A206 HydrophobicContact CD1-CB 4.11Å; A206-E208 VanDerWaalsContact C-N 3.28Å; A206-E208 PolarHBondContact O-N 3.1Å; A206-V209 PolarHBondContact O-N 3.17Å; A206-I210 HydrophobicContact CB-CD1 4.31Å; A206-I210 WeakPolarHBondContact O-CD1 3.45Å; A206-I210 VanDerWaalsContact O-CG1 3.25Å; A206-I210 WeakPolarHBondContact O-CG1 3.23Å; A206-I210 PolarHBondContact O-N 3.14Å
207I97.8Very high94.7Very high32 Ų3238.1 Ų38.116%0.16421%0.209CC..Hα-helixtrans-57.2-37.6177.5-173.557.8000112.9V150 I166 P205 V209 I210 S211V150-I207 HydrophobicContact CB-CD1 3.87Å; V150-I207 HydrophobicContact CG2-CD1 3.64Å; V150-I207 HydrophobicContact CG2-CG1 4.05Å; I166-I207 HydrophobicContact CD1-CD1 4.1Å; I166-I207 WeakPolarHBondContact O-CB 3.28Å; I166-I207 PolarHBondContact O-N 3.12Å; P205-I207 HydrophobicContact CB-CG2 4.08Å; P205-I207 HydrophobicContact CG-CG2 3.95Å; P205-I207 PolarHBondContact O-N 3.23Å; P205-I207 VanDerWaalsContact O-N 3.08Å; I207-V209 VanDerWaalsContact C-N 3.34Å; I207-V209 PolarHBondContact O-N 2.92Å; I207-I210 PolarHBondContact O-N 2.59Å; I207-S211 VanDerWaalsContact O-CB 3.31Å; I207-S211 WeakPolarHBondContact O-CB 3.38Å; I207-S211 PolarHBondContact O-N 2.74Å; I207-S211 PolarHBondContact O-OG 2.62Å; I207-S211 VanDerWaalsContact O-OG 3.05Å
208E97.1Very high95Very high74 Ų7439.5 Ų39.535%0.34621%0.213SC..Hα-helixtrans-63.7-43.8179178.367.4-170.200110.4F195 V204 P205 A206 S211 R212F195-E208 HydrophobicContact CZ-CG 4.18Å; V204-E208 HydrophobicContact CB-CB 4.24Å; V204-E208 HydrophobicContact CB-CG 4.33Å; V204-E208 HydrophobicContact CG2-CB 4.12Å; V204-E208 HydrophobicContact CG2-CG 4.21Å; P205-E208 WeakPolarHBondContact O-CB 3.24Å; P205-E208 PolarHBondContact O-N 3.14Å; A206-E208 VanDerWaalsContact C-N 3.28Å; A206-E208 PolarHBondContact O-N 3.1Å; E208-S211 PolarHBondContact O-N 3.45Å; E208-R212 VanDerWaalsContact O-CG 3.3Å; E208-R212 WeakPolarHBondContact O-CG 3.42Å; E208-R212 PolarHBondContact O-N 3.22Å; E208-R212 IonicContact OE1-CZ 2.75Å; E208-R212 VanDerWaalsContact OE1-CZ 3.3Å; E208-R212 IonicContact OE1-NE 3.62Å; E208-R212 PolarHBondContact OE1-NE 3.48Å; E208-R212 IonicContact OE1-NH2 2.83Å; E208-R212 PolarHBondContact OE1-NH2 3.14Å
209V97.6Very high95.2Very high0 Ų037.4 Ų37.40%020%0.202CC..Hα-helixtrans-67.2-44.7178.2-171.60000110.8I171 F195 Y200 V204 A206 I207 S211 R212 V213I171-V209 HydrophobicContact CB-CB 4.16Å; I171-V209 HydrophobicContact CB-CG1 4.47Å; I171-V209 HydrophobicContact CB-CG2 3.84Å; I171-V209 HydrophobicContact CD1-CB 4.11Å; I171-V209 HydrophobicContact CD1-CG1 4.26Å; I171-V209 HydrophobicContact CG1-CB 3.99Å; I171-V209 HydrophobicContact CG1-CG1 3.92Å; I171-V209 HydrophobicContact CG1-CG2 4.2Å; I171-V209 HydrophobicContact CG2-CG2 3.89Å; F195-V209 HydrophobicContact CE2-CG2 4.03Å; F195-V209 HydrophobicContact CZ-CG2 4.28Å; Y200-V209 HydrophobicContact CD2-CG2 3.9Å; Y200-V209 HydrophobicContact CE2-CG2 4.31Å; V204-V209 HydrophobicContact CG2-CG2 3.85Å; A206-V209 PolarHBondContact O-N 3.17Å; I207-V209 VanDerWaalsContact C-N 3.34Å; I207-V209 PolarHBondContact O-N 2.92Å; V209-S211 PolarHBondContact O-N 2.91Å; V209-R212 PolarHBondContact O-N 2.79Å; V209-V213 WeakPolarHBondContact O-CG2 3.3Å; V209-V213 PolarHBondContact O-N 3.43Å
210I97.9Very high95.3Very high0 Ų034.8 Ų34.80%018%0.183CC..Hα-helixtrans-58.7-48.6176.8-67.5161.4000110.4W144 M145 I148 I166 I171 A206 I207 R212 V213 Q214W144-I210 HydrophobicContact CH2-CD1 3.82Å; W144-I210 HydrophobicContact CH2-CG1 4.42Å; W144-I210 HydrophobicContact CZ3-CD1 4.32Å; W144-I210 HydrophobicContact CZ3-CG1 4.43Å; M145-I210 HydrophobicContact CB-CG2 4.49Å; M145-I210 HydrophobicContact CG-CG1 4.12Å; M145-I210 HydrophobicContact SD-CG1 4.48Å; I148-I210 HydrophobicContact CB-CG2 3.82Å; I148-I210 HydrophobicContact CG1-CD1 4.38Å; I148-I210 HydrophobicContact CG1-CG2 4.1Å; I148-I210 HydrophobicContact CG2-CG2 4.03Å; I166-I210 HydrophobicContact CB-CD1 4.47Å; I166-I210 HydrophobicContact CD1-CD1 4.5Å; I166-I210 HydrophobicContact CG2-CD1 4.32Å; I171-I210 HydrophobicContact CD1-CG1 4.47Å; A206-I210 HydrophobicContact CB-CD1 4.31Å; A206-I210 WeakPolarHBondContact O-CD1 3.45Å; A206-I210 VanDerWaalsContact O-CG1 3.25Å; A206-I210 WeakPolarHBondContact O-CG1 3.23Å; A206-I210 PolarHBondContact O-N 3.14Å; I207-I210 PolarHBondContact O-N 2.59Å; I210-R212 VanDerWaalsContact C-N 3.32Å; I210-R212 PolarHBondContact O-N 3.38Å; I210-V213 PolarHBondContact O-N 3.31Å; I210-Q214 HydrophobicContact CG2-CG 4.41Å; I210-Q214 VanDerWaalsContact O-CG 3.3Å; I210-Q214 WeakPolarHBondContact O-CG 3.45Å; I210-Q214 PolarHBondContact O-N 2.93Å
211S96.7Very high95.2Very high49 Ų4939.7 Ų39.734%0.34322%0.216SC..Hα-helixtrans-62-37.3179.6-68.40000112.4I207 E208 V209 Q214 L215I207-S211 VanDerWaalsContact O-CB 3.31Å; I207-S211 WeakPolarHBondContact O-CB 3.38Å; I207-S211 PolarHBondContact O-N 2.74Å; I207-S211 PolarHBondContact O-OG 2.62Å; I207-S211 VanDerWaalsContact O-OG 3.05Å; E208-S211 PolarHBondContact O-N 3.45Å; V209-S211 PolarHBondContact O-N 2.91Å; S211-Q214 PolarHBondContact O-N 3.38Å; S211-L215 VanDerWaalsContact O-CB 3.24Å; S211-L215 WeakPolarHBondContact O-CB 3.5Å; S211-L215 PolarHBondContact O-N 3.01Å
212R96.5Very high94.7Very high73 Ų7342.9 Ų42.928%0.27523%0.228SC..Hα-helixtrans-69-39.8175.4-71.3177.4-178.5-143.57.5112.8C193 F195 E208 V209 I210 L215 Y216C193-R212 HydrophobicContact CB-CB 4.03Å; C193-R212 WeakPolarHBondContact O-CD 3.44Å; C193-R212 PolarHBondContact O-NH1 3.22Å; C193-R212 VanDerWaalsContact O-NH1 3.13Å; F195-R212 VanDerWaalsContact CE1-NH1 3.33Å; E208-R212 VanDerWaalsContact O-CG 3.3Å; E208-R212 WeakPolarHBondContact O-CG 3.42Å; E208-R212 PolarHBondContact O-N 3.22Å; E208-R212 IonicContact OE1-CZ 2.75Å; E208-R212 VanDerWaalsContact OE1-CZ 3.3Å; E208-R212 IonicContact OE1-NE 3.62Å; E208-R212 PolarHBondContact OE1-NE 3.48Å; E208-R212 IonicContact OE1-NH2 2.83Å; E208-R212 PolarHBondContact OE1-NH2 3.14Å; V209-R212 PolarHBondContact O-N 2.79Å; I210-R212 VanDerWaalsContact C-N 3.32Å; I210-R212 PolarHBondContact O-N 3.38Å; R212-L215 PolarHBondContact O-N 2.92Å; R212-Y216 WeakPolarHBondContact O-CB 3.29Å; R212-Y216 PolarHBondContact O-N 3.29Å
213V96.2Very high94.1Very high1 Ų140.1 Ų40.11%0.00621%0.214CC..Hα-helixtrans-61.1-45.9172.6171.30000110.9L142 M145 L146 I188 I192 C193 V209 I210 Y216 S217L142-V213 HydrophobicContact CD1-CG1 3.7Å; M145-V213 HydrophobicContact CB-CG1 4.18Å; M145-V213 HydrophobicContact CE-CB 4.37Å; M145-V213 HydrophobicContact CE-CG1 3.97Å; M145-V213 HydrophobicContact CE-CG2 3.83Å; M145-V213 HydrophobicContact SD-CB 4.39Å; M145-V213 HydrophobicContact SD-CG1 4.49Å; M145-V213 HydrophobicContact SD-CG2 3.91Å; L146-V213 HydrophobicContact CD2-CG1 4.1Å; I188-V213 HydrophobicContact CG2-CG2 4.39Å; I192-V213 HydrophobicContact CG2-CB 4.41Å; I192-V213 HydrophobicContact CG2-CG2 4.02Å; C193-V213 VanDerWaalsContact SG-CG2 3.57Å; V209-V213 WeakPolarHBondContact O-CG2 3.3Å; V209-V213 PolarHBondContact O-N 3.43Å; I210-V213 PolarHBondContact O-N 3.31Å; V213-Y216 PolarHBondContact O-N 3.24Å; V213-S217 WeakPolarHBondContact O-CB 3.02Å; V213-S217 PolarHBondContact O-N 3.34Å
214Q95.6Very high93.3Very high36 Ų3638.9 Ų38.917%0.16821%0.214CC..Hα-helixtrans-61.1-45.8176.8-71.4176.1-12.300111.3M145 L146 I148 I210 S211 Y216 S217 Q218M145-Q214 PolarHBondContact O-NE2 2.78Å; L146-Q214 HydrophobicContact CD2-CG 4.46Å; I148-Q214 PolarHBondContact O-NE2 3.25Å; I210-Q214 HydrophobicContact CG2-CG 4.41Å; I210-Q214 VanDerWaalsContact O-CG 3.3Å; I210-Q214 WeakPolarHBondContact O-CG 3.45Å; I210-Q214 PolarHBondContact O-N 2.93Å; S211-Q214 PolarHBondContact O-N 3.38Å; Q214-Y216 PolarHBondContact O-N 3.31Å; Q214-S217 PolarHBondContact O-N 2.96Å; Q214-Q218 WeakPolarHBondContact O-CB 3.32Å; Q214-Q218 WeakPolarHBondContact O-CG 3.42Å; Q214-Q218 PolarHBondContact O-N 3.3Å
215L94.4Very high92.8Very high41 Ų4142.5 Ų42.522%0.21523%0.227CC..Hα-helixtrans-59-46.2177.3178.165.6000111.8M80 N82 S211 R212 S219M80-L215 HydrophobicContact SD-CD1 4.36Å; M80-L215 HydrophobicContact SD-CD2 3.47Å; M80-L215 WeakPolarHBondContact SD-CD2 3.34Å; M80-L215 HydrophobicContact SD-CG 3.46Å; M80-L215 WeakPolarHBondContact SD-CG 3.46Å; N82-L215 HydrophobicContact CB-CD1 3.74Å; N82-L215 VanDerWaalsContact O-CD1 3.31Å; N82-L215 WeakPolarHBondContact O-CD1 3.31Å; S211-L215 VanDerWaalsContact O-CB 3.24Å; S211-L215 WeakPolarHBondContact O-CB 3.5Å; S211-L215 PolarHBondContact O-N 3.01Å; R212-L215 PolarHBondContact O-N 2.92Å; L215-S219 VanDerWaalsContact O-CB 3.26Å; L215-S219 WeakPolarHBondContact O-CB 3.42Å; L215-S219 PolarHBondContact O-N 3.39Å; L215-S219 PolarHBondContact O-OG 3.47Å
216Y94.9Very high92.6Very high4 Ų440.4 Ų40.42%0.01621%0.214CC..Hα-helixtrans-60-50.9176.2-172-79.1000110.7M80 S106 V117 C119 I192 R212 V213 Q214 Q218 S219 V220 P227M80-Y216 HydrophobicContact CE-CD2 4.33Å; S106-Y216 VanDerWaalsContact CB-OH 3.27Å; S106-Y216 WeakPolarHBondContact CB-OH 3.48Å; S106-Y216 PolarHBondContact OG-OH 2.92Å; V117-Y216 HydrophobicContact CG1-CE1 4.09Å; V117-Y216 WeakPolarHBondContact CG1-OH 3.19Å; C119-Y216 HydrophobicContact CB-CD1 4.24Å; C119-Y216 HydrophobicContact CB-CE1 3.86Å; I192-Y216 HydrophobicContact CG2-CD1 4.09Å; I192-Y216 HydrophobicContact CG2-CD2 4.23Å; I192-Y216 HydrophobicContact CG2-CG 3.8Å; I192-Y216 VanDerWaalsContact O-CD2 3.22Å; I192-Y216 WeakPolarHBondContact O-CD2 3.41Å; R212-Y216 WeakPolarHBondContact O-CB 3.29Å; R212-Y216 PolarHBondContact O-N 3.29Å; V213-Y216 PolarHBondContact O-N 3.24Å; Q214-Y216 PolarHBondContact O-N 3.31Å; Y216-Q218 PolarHBondContact O-N 3.43Å; Y216-S219 WeakPolarHBondContact O-CB 3.25Å; Y216-S219 PolarHBondContact O-N 2.74Å; Y216-V220 HydrophobicContact CD1-CG2 4.06Å; Y216-V220 HydrophobicContact CE1-CG2 3.78Å; Y216-V220 WeakPolarHBondContact O-CG2 3.38Å; Y216-V220 PolarHBondContact O-N 3.3Å; Y216-P227 HydrophobicContact CD2-CB 4.4Å; Y216-P227 HydrophobicContact CD2-CG 3.95Å; Y216-P227 HydrophobicContact CE1-CG 4.23Å; Y216-P227 HydrophobicContact CE2-CB 4.42Å; Y216-P227 HydrophobicContact CE2-CG 3.54Å; Y216-P227 HydrophobicContact CG-CG 4.46Å
217S94.1Very high92.5Very high15 Ų1540.4 Ų40.411%0.10521%0.214CC..Hα-helixtrans-61.6-45.1-179.7-179.20000112.6V213 Q214 S219 V220 C221V213-S217 WeakPolarHBondContact O-CB 3.02Å; V213-S217 PolarHBondContact O-N 3.34Å; Q214-S217 PolarHBondContact O-N 2.96Å; S217-S219 VanDerWaalsContact C-N 3.28Å; S217-S219 PolarHBondContact O-N 2.92Å; S217-V220 PolarHBondContact O-N 2.75Å; S217-C221 PolarHBondContact O-N 3.35Å; S217-C221 PolarHBondContact O-SG 2.91Å
218Q93.4Very high92.5Very high91 Ų9138.9 Ų38.943%0.42521%0.206SC..Hα-helixtrans-63.1-37.5177.7-70.4169.412.600111.6Q214 Y216 C221 R222Q214-Q218 WeakPolarHBondContact O-CB 3.32Å; Q214-Q218 WeakPolarHBondContact O-CG 3.42Å; Q214-Q218 PolarHBondContact O-N 3.3Å; Y216-Q218 PolarHBondContact O-N 3.43Å; Q218-C221 PolarHBondContact O-N 2.85Å; Q218-R222 PolarHBondContact O-N 3.47Å
219S94.4Very high92.5Very high0 Ų035.9 Ų35.90%019%0.192CC..Hα-helixtrans-63.2-42.3175.3-64.80000111.7M80 N82 L215 Y216 S217 R222M80-S219 WeakPolarHBondContact CG-OG 3.27Å; N82-S219 WeakPolarHBondContact CB-OG 3.42Å; N82-S219 PolarHBondContact N-OG 2.97Å; L215-S219 VanDerWaalsContact O-CB 3.26Å; L215-S219 WeakPolarHBondContact O-CB 3.42Å; L215-S219 PolarHBondContact O-N 3.39Å; L215-S219 PolarHBondContact O-OG 3.47Å; Y216-S219 WeakPolarHBondContact O-CB 3.25Å; Y216-S219 PolarHBondContact O-N 2.74Å; S217-S219 VanDerWaalsContact C-N 3.28Å; S217-S219 PolarHBondContact O-N 2.92Å; S219-R222 PolarHBondContact O-N 3.39Å
220V92.4Very high92.5Very high8 Ų836 Ų365%0.04819%0.193CC..Hα-helixtrans-65.6-46.2174-176.60000111.2C119 Y216 S217 R222 F223 G224 P227C119-V220 HydrophobicContact CB-CB 4.35Å; C119-V220 HydrophobicContact CB-CG1 4.49Å; C119-V220 HydrophobicContact CB-CG2 3.87Å; C119-V220 WeakPolarHBondContact SG-CG1 3.42Å; Y216-V220 HydrophobicContact CD1-CG2 4.06Å; Y216-V220 HydrophobicContact CE1-CG2 3.78Å; Y216-V220 WeakPolarHBondContact O-CG2 3.38Å; Y216-V220 PolarHBondContact O-N 3.3Å; S217-V220 PolarHBondContact O-N 2.75Å; V220-R222 PolarHBondContact O-N 2.85Å; V220-R222 VanDerWaalsContact O-N 3.1Å; V220-F223 PolarHBondContact O-N 3.35Å; V220-G224 WeakPolarHBondContact O-CA 3.29Å; V220-G224 PolarHBondContact O-N 3.07Å; V220-P227 HydrophobicContact CG2-CB 3.82Å; V220-P227 HydrophobicContact CG2-CG 4.27Å
221C89.9Confident92.4Very high104 Ų10436 Ų3670%0.70319%0.193SC*.Hα-helixtrans-57.9-28.7-179.1-70.20000113.1S217 Q218S217-C221 PolarHBondContact O-N 3.35Å; S217-C221 PolarHBondContact O-SG 2.91Å; Q218-C221 PolarHBondContact O-N 2.85Å
222R83.9Confident92.4Very high84 Ų8434.3 Ų34.332%0.31718%0.18SC..Hα-helixtrans-72.7-34.5-179.7-169.5172.3178.6-179.60.5113.9A81 N82 Q218 S219 V220A81-R222 PolarHBondContact O-NH1 2.75Å; N82-R222 WeakPolarHBondContact OD1-CD 3.29Å; N82-R222 PolarHBondContact OD1-NH1 3.45Å; N82-R222 VanDerWaalsContact OD1-NH1 3.12Å; Q218-R222 PolarHBondContact O-N 3.47Å; S219-R222 PolarHBondContact O-N 3.39Å; V220-R222 PolarHBondContact O-N 2.85Å; V220-R222 VanDerWaalsContact O-N 3.1Å
223F80.9Confident92.5Very high74 Ų7436.4 Ų36.433%0.32519%0.189SC..Hα-helixtrans-128.7-0.9-171.3-67.1-72.3000115A81 S102 V220 K225 L229A81-F223 HydrophobicContact CB-CD2 3.41Å; A81-F223 VanDerWaalsContact CB-CD2 3.41Å; A81-F223 HydrophobicContact CB-CE2 3.5Å; A81-F223 VanDerWaalsContact CB-CE2 3.5Å; S102-F223 WeakPolarHBondContact OG-CB 3.24Å; V220-F223 PolarHBondContact O-N 3.35Å; F223-K225 PolarHBondContact O-N 3.19Å; F223-K225 VanDerWaalsContact O-N 3.14Å; F223-L229 HydrophobicContact CD1-CD2 4.08Å; F223-L229 HydrophobicContact CD2-CD1 4.47Å; F223-L229 HydrophobicContact CD2-CD2 3.82Å; F223-L229 HydrophobicContact CD2-CG 4.31Å; F223-L229 HydrophobicContact CE1-CD2 4.06Å; F223-L229 HydrophobicContact CE2-CD1 3.74Å; F223-L229 HydrophobicContact CE2-CD2 3.78Å; F223-L229 HydrophobicContact CE2-CG 4.06Å; F223-L229 HydrophobicContact CG-CD2 3.97Å; F223-L229 HydrophobicContact CZ-CD1 3.94Å; F223-L229 HydrophobicContact CZ-CD2 3.9Å; F223-L229 HydrophobicContact CZ-CG 4.45Å
224G75.8Confident92.5Very high54 Ų5436.4 Ų36.456%0.55719%0.188SC*.SBendtrans87.1-49.7163.300000116.4V220V220-G224 WeakPolarHBondContact O-CA 3.29Å; V220-G224 PolarHBondContact O-N 3.07Å
225K84.2Confident92.6Very high106 Ų10634.7 Ų34.746%0.46118%0.18SC..SBendtrans-91-45.1-168.9-67.2-171.1-179.7-174.60114.3E104 F223E104-K225 HydrophobicContact CB-CD 4.23Å; E104-K225 HydrophobicContact CG-CD 4.16Å; E104-K225 WeakPolarHBondContact O-CB 3.49Å; E104-K225 IonicContact OE1-NZ 3.59Å; E104-K225 PolarHBondContact OE1-NZ 3.39Å; F223-K225 PolarHBondContact O-N 3.19Å; F223-K225 VanDerWaalsContact O-N 3.14Å
226S93.9Very high92.7Very high2 Ų232.9 Ų32.91%0.01417%0.172CC..  trans-148.1168.517988.50000108.9V103 Y228V103-S226 VanDerWaalsContact O-CB 3.29Å; V103-S226 WeakPolarHBondContact O-CB 3.49Å; V103-S226 PolarHBondContact O-OG 3.49Å; S226-Y228 PolarHBondContact O-N 3.31Å; S226-Y228 PolarHBondContact OG-N 3.5Å
227P95Very high92.8Very high0 Ų035.5 Ų35.50%018%0.184CC..SBendtrans-80.64.4179.436.7-38.8000112.9A81 Y216 V220A81-P227 WeakPolarHBondContact CB-O 3.41Å; A81-P227 PolarHBondContact N-O 2.86Å; Y216-P227 HydrophobicContact CD2-CB 4.4Å; Y216-P227 HydrophobicContact CD2-CG 3.95Å; Y216-P227 HydrophobicContact CE1-CG 4.23Å; Y216-P227 HydrophobicContact CE2-CB 4.42Å; Y216-P227 HydrophobicContact CE2-CG 3.54Å; Y216-P227 HydrophobicContact CG-CG 4.46Å; V220-P227 HydrophobicContact CG2-CB 3.82Å; V220-P227 HydrophobicContact CG2-CG 4.27Å
228Y97.2Very high92.9Very high0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-112.7144-162.6-63-58.1000113.2F78 L79 M80 S102 V103 L194 S226 Q322F78-Y228 HydrophobicContact CB-CD1 3.9Å; F78-Y228 HydrophobicContact CB-CG 3.96Å; F78-Y228 HydrophobicContact CD2-CG 4.44Å; L79-Y228 CarbonylContact O-C 3.52Å; L79-Y228 VanDerWaalsContact O-CA 3.3Å; L79-Y228 WeakPolarHBondContact O-CA 3.28Å; M80-Y228 HydrophobicContact CB-CE1 4.49Å; M80-Y228 HydrophobicContact CE-CE1 4.17Å; S102-Y228 WeakPolarHBondContact CA-O 3.31Å; V103-Y228 PolarHBondContact N-O 2.94Å; L194-Y228 HydrophobicContact CD1-CE1 4.44Å; L194-Y228 WeakPolarHBondContact CD1-OH 3.47Å; L194-Y228 WeakPolarHBondContact CD2-OH 3.48Å; S226-Y228 PolarHBondContact O-N 3.31Å; S226-Y228 PolarHBondContact OG-N 3.5Å; Y228-Q322 HydrophobicContact CD2-CB 4.43Å; Y228-Q322 HydrophobicContact CE2-CB 4.32Å; Y228-Q322 VanDerWaalsContact CE2-CD 3.41Å; Y228-Q322 PolarHBondContact OH-NE2 3.31Å; Y228-Q322 PolarHBondContact OH-OE1 2.84Å; Y228-Q322 VanDerWaalsContact OH-OE1 3.11Å
229L96.6Very high93.1Very high12 Ų1230.4 Ų30.46%0.06316%0.159CC..EExtended strand (participates in β ladder)trans-117.7152.7171.8-60.6175.4000109.6L79 A81 V86 F100 R101 F223L79-L229 HydrophobicContact CB-CB 4.26Å; L79-L229 PolarHBondContact N-O 2.72Å; L79-L229 PolarHBondContact O-N 3.33Å; A81-L229 HydrophobicContact CB-CD1 4.29Å; A81-L229 HydrophobicContact CB-CG 4.23Å; V86-L229 HydrophobicContact CG2-CD1 4.31Å; F100-L229 HydrophobicContact CD1-CB 4.35Å; R101-L229 CarbonylContact O-C 3.56Å; R101-L229 WeakPolarHBondContact O-CA 3.38Å; F223-L229 HydrophobicContact CD1-CD2 4.08Å; F223-L229 HydrophobicContact CD2-CD1 4.47Å; F223-L229 HydrophobicContact CD2-CD2 3.82Å; F223-L229 HydrophobicContact CD2-CG 4.31Å; F223-L229 HydrophobicContact CE1-CD2 4.06Å; F223-L229 HydrophobicContact CE2-CD1 3.74Å; F223-L229 HydrophobicContact CE2-CD2 3.78Å; F223-L229 HydrophobicContact CE2-CG 4.06Å; F223-L229 HydrophobicContact CG-CD2 3.97Å; F223-L229 HydrophobicContact CZ-CD1 3.94Å; F223-L229 HydrophobicContact CZ-CD2 3.9Å; F223-L229 HydrophobicContact CZ-CG 4.45Å
230Y97.6Very high93.2Very high1 Ų134.2 Ų34.20%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-141.3136.1173.1-173.8-93000109.5D73 F78 F100 R101 G234 L235 V341 H345 T347D73-Y230 VanDerWaalsContact CG-OH 3.31Å; D73-Y230 WeakPolarHBondContact OD2-CE2 3.45Å; D73-Y230 PolarHBondContact OD2-OH 3.29Å; F78-Y230 AromaticContact CD1-CD2 3.59Å; F78-Y230 HydrophobicContact CD1-CD2 3.59Å; F78-Y230 HydrophobicContact CD1-CE2 4.47Å; F78-Y230 HydrophobicContact CD1-CG 4.17Å; F78-Y230 AromaticContact CE1-CD2 3.64Å; F78-Y230 HydrophobicContact CE1-CD2 3.64Å; F78-Y230 HydrophobicContact CE1-CE2 4.29Å; F78-Y230 HydrophobicContact CE1-CG 4.11Å; F100-Y230 WeakPolarHBondContact CA-O 3.36Å; R101-Y230 PolarHBondContact N-O 3.24Å; R101-Y230 PolarHBondContact O-N 2.78Å; Y230-G234 WeakPolarHBondContact OH-CA 3.41Å; Y230-L235 HydrophobicContact CD2-CD2 4.1Å; Y230-L235 HydrophobicContact CD2-CG 4.38Å; Y230-L235 HydrophobicContact CE2-CD1 4.1Å; Y230-L235 HydrophobicContact CE2-CD2 3.94Å; Y230-L235 HydrophobicContact CE2-CG 3.71Å; Y230-V341 HydrophobicContact CD1-CG1 4.28Å; Y230-V341 HydrophobicContact CD2-CG1 4.47Å; Y230-V341 HydrophobicContact CE1-CG1 4.22Å; Y230-V341 HydrophobicContact CE2-CG1 4.37Å; Y230-V341 HydrophobicContact CG-CG1 4.37Å; Y230-H345 HydrophobicContact CD1-CB 3.84Å; Y230-H345 AromaticContact CD1-CD2 3.58Å; Y230-H345 AromaticContact CD1-CG 3.85Å; Y230-H345 HydrophobicContact CE1-CB 4.03Å; Y230-T347 HydrophobicContact CE1-CG2 3.51Å; Y230-T347 WeakPolarHBondContact OH-CG2 3.43Å
231P97.2Very high93.4Very high0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-66.8145.1179.128.5-34.9000111.1E99 F100 G234 L235E99-P231 CarbonylContact O-C 3.55Å; E99-P231 WeakPolarHBondContact O-CA 3.35Å; F100-P231 HydrophobicContact CD1-CB 4.13Å; F100-P231 HydrophobicContact CE1-CB 3.93Å; F100-P231 HydrophobicContact CE1-CG 4.48Å; P231-G234 VanDerWaalsContact CG-O 3.24Å; P231-G234 WeakPolarHBondContact CG-O 3.42Å; P231-L235 HydrophobicContact CG-CD2 3.81Å
232L97.3Very high93.8Very high15 Ų1529.2 Ų29.28%0.07914%0.144CC..THydrogen-bonded Turntrans-62.5143.5165.4-64.5-173.1000109.3E99 R101 G234 H345E99-L232 HydrophobicContact CB-CB 4.49Å; E99-L232 HydrophobicContact CB-CD1 3.82Å; E99-L232 HydrophobicContact CB-CG 4.14Å; E99-L232 PolarHBondContact O-N 3.14Å; R101-L232 HydrophobicContact CB-CD2 4.37Å; R101-L232 HydrophobicContact CG-CD2 3.83Å; L232-G234 PolarHBondContact O-N 3Å; L232-H345 WeakPolarHBondContact CA-O 3.37Å
233Y97.2Very high94.3Very high117 Ų11725.4 Ų25.446%0.45913%0.13SC..THydrogen-bonded Turntrans68.812.6-179.9-42.7-77.4000115.6N71 H345 N346N71-Y233 WeakPolarHBondContact CB-O 3.43Å; Y233-H345 PolarHBondContact N-O 3.06Å; Y233-N346 HydrophobicContact CD1-CB 3.53Å; Y233-N346 HydrophobicContact CE1-CB 3.58Å; Y233-N346 WeakPolarHBondContact CE1-ND2 3.45Å; Y233-N346 HydrophobicContact CG-CB 4.29Å; Y233-N346 PolarHBondContact OH-ND2 2.97Å
234G97Very high95Very high0 Ų029.4 Ų29.40%014%0.143CC..  trans94.3172.3170.600000115.1Y230 P231 L232 G236 E237Y230-G234 WeakPolarHBondContact OH-CA 3.41Å; P231-G234 VanDerWaalsContact CG-O 3.24Å; P231-G234 WeakPolarHBondContact CG-O 3.42Å; L232-G234 PolarHBondContact O-N 3Å; G234-G236 VanDerWaalsContact C-N 3.27Å; G234-G236 PolarHBondContact O-N 3.39Å; G234-E237 PolarHBondContact O-N 3.06Å
235L97.3Very high96Very high0 Ų027.1 Ų27.10%012%0.118CC..THydrogen-bonded Turntrans-73.3-18.8-172.2-65170.1000113.6I43 S45 D73 I75 K77 L79 Y230 P231 E237 L238 P239 F414I43-L235 HydrophobicContact CD1-CB 4.36Å; I43-L235 HydrophobicContact CD1-CD1 4.23Å; I43-L235 HydrophobicContact CG1-CB 3.98Å; I43-L235 HydrophobicContact CG1-CD1 4.25Å; S45-L235 PolarHBondContact OG-N 3.38Å; D73-L235 HydrophobicContact CB-CD1 4.47Å; D73-L235 PolarHBondContact OD1-N 3.31Å; D73-L235 VanDerWaalsContact OD2-CD1 3.29Å; D73-L235 WeakPolarHBondContact OD2-CD1 3.42Å; D73-L235 VanDerWaalsContact OD2-CG 3.26Å; D73-L235 WeakPolarHBondContact OD2-CG 3.3Å; I75-L235 WeakPolarHBondContact O-CD1 3.33Å; K77-L235 HydrophobicContact CB-CD1 4.26Å; K77-L235 VanDerWaalsContact N-CD1 3.26Å; K77-L235 WeakPolarHBondContact O-CD1 3.39Å; K77-L235 WeakPolarHBondContact O-CD2 3.16Å; L79-L235 HydrophobicContact CD1-CD2 4.21Å; Y230-L235 HydrophobicContact CD2-CD2 4.1Å; Y230-L235 HydrophobicContact CD2-CG 4.38Å; Y230-L235 HydrophobicContact CE2-CD1 4.1Å; Y230-L235 HydrophobicContact CE2-CD2 3.94Å; Y230-L235 HydrophobicContact CE2-CG 3.71Å; P231-L235 HydrophobicContact CG-CD2 3.81Å; L235-E237 PolarHBondContact O-N 3.23Å; L235-E237 VanDerWaalsContact O-N 3.14Å; L235-L238 HydrophobicContact CD2-CD1 3.93Å; L235-L238 WeakPolarHBondContact O-CB 3.42Å; L235-L238 PolarHBondContact O-N 2.83Å; L235-P239 WeakPolarHBondContact O-CD 3.38Å; L235-F414 HydrophobicContact CD1-CZ 4.11Å; L235-F414 HydrophobicContact CD2-CE2 3.88Å; L235-F414 HydrophobicContact CD2-CZ 3.89Å
236G96.3Very high96.5Very high3 Ų322.1 Ų22.13%0.03110%0.096CC..THydrogen-bonded Turntrans-59.1-18.7172.500000113.6S45 G234 L238 P239 Q240S45-G236 PolarHBondContact OG-N 2.91Å; G234-G236 VanDerWaalsContact C-N 3.27Å; G234-G236 PolarHBondContact O-N 3.39Å; G236-L238 VanDerWaalsContact C-N 3.32Å; G236-P239 WeakPolarHBondContact O-CD 3.28Å; G236-P239 WeakPolarHBondContact O-CG 3.26Å; G236-Q240 WeakPolarHBondContact O-CG 3.43Å; G236-Q240 PolarHBondContact O-NE2 3.17Å
237E96.8Very high96.6Very high59 Ų5924.2 Ų24.228%0.27611%0.113SC..Hα-helixtrans-68.5-30.2172.9-67.8-62.198.500112.6L98 G234 L235 Q240 A241L98-E237 HydrophobicContact CD2-CB 3.64Å; G234-E237 PolarHBondContact O-N 3.06Å; L235-E237 PolarHBondContact O-N 3.23Å; L235-E237 VanDerWaalsContact O-N 3.14Å; E237-Q240 PolarHBondContact O-N 3.09Å; E237-Q240 PolarHBondContact OE1-NE2 3.03Å; E237-A241 WeakPolarHBondContact O-CB 3.32Å; E237-A241 PolarHBondContact O-N 3Å
238L97.6Very high96.7Very high0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-62.6-57.5-179.8-58.3177000112.7L14 L79 L85 L89 L98 F100 L235 G236 Q240 A241 F242 F414L14-L238 HydrophobicContact CD1-CB 3.65Å; L14-L238 HydrophobicContact CD1-CD1 4.41Å; L14-L238 HydrophobicContact CD2-CD1 4.08Å; L79-L238 HydrophobicContact CD1-CD1 4.47Å; L85-L238 HydrophobicContact CD2-CD1 4.37Å; L89-L238 HydrophobicContact CD1-CD2 4.5Å; L89-L238 HydrophobicContact CD2-CD2 4.3Å; L98-L238 HydrophobicContact CD1-CD2 3.76Å; F100-L238 HydrophobicContact CE1-CD2 4.23Å; F100-L238 HydrophobicContact CZ-CD2 4.05Å; L235-L238 HydrophobicContact CD2-CD1 3.93Å; L235-L238 WeakPolarHBondContact O-CB 3.42Å; L235-L238 PolarHBondContact O-N 2.83Å; G236-L238 VanDerWaalsContact C-N 3.32Å; L238-Q240 PolarHBondContact O-N 3.41Å; L238-A241 PolarHBondContact O-N 3.18Å; L238-F242 VanDerWaalsContact O-CD2 3.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.36Å; L238-F242 PolarHBondContact O-N 2.93Å; L238-F242 VanDerWaalsContact O-N 3.14Å; L238-F414 HydrophobicContact CD1-CE2 4.42Å; L238-F414 HydrophobicContact CD1-CZ 4.19Å
239P97.2Very high96.6Very high0 Ų033.9 Ų33.90%016%0.16CC..Hα-helixtrans-61-34.1177.923.8-32.9000112.2T12 C17 L235 G236 F242 A243T12-P239 WeakPolarHBondContact O-CB 3.4Å; C17-P239 HydrophobicContact CB-CB 4.03Å; C17-P239 PolarHBondContact SG-O 3.12Å; L235-P239 WeakPolarHBondContact O-CD 3.38Å; G236-P239 WeakPolarHBondContact O-CD 3.28Å; G236-P239 WeakPolarHBondContact O-CG 3.26Å; P239-F242 PolarHBondContact O-N 3.42Å; P239-A243 VanDerWaalsContact O-CB 3.31Å; P239-A243 WeakPolarHBondContact O-CB 3.47Å; P239-A243 PolarHBondContact O-N 3.49Å
240Q96Very high96.5Very high80 Ų8035.9 Ų35.937%0.37418%0.184SC..Hα-helixtrans-65-43.7175.5-72.3-179.482.300112.8Y39 G236 E237 L238 F242 A243 R244Y39-Q240 HydrophobicContact CD2-CG 3.76Å; Y39-Q240 HydrophobicContact CG-CG 3.89Å; G236-Q240 WeakPolarHBondContact O-CG 3.43Å; G236-Q240 PolarHBondContact O-NE2 3.17Å; E237-Q240 PolarHBondContact O-N 3.09Å; E237-Q240 PolarHBondContact OE1-NE2 3.03Å; L238-Q240 PolarHBondContact O-N 3.41Å; Q240-F242 VanDerWaalsContact C-N 3.33Å; Q240-F242 PolarHBondContact O-N 2.87Å; Q240-A243 PolarHBondContact O-N 2.91Å; Q240-R244 WeakPolarHBondContact O-CB 3.46Å; Q240-R244 PolarHBondContact O-N 2.93Å
241A96.9Very high96.5Very high7 Ų736.2 Ų36.26%0.05819%0.187CC..Hα-helixtrans-62.8-40.7177.600000111.9V94 Y97 L98 E237 L238 R244 L245V94-A241 HydrophobicContact CB-CB 4.34Å; Y97-A241 HydrophobicContact CD2-CB 4.32Å; L98-A241 HydrophobicContact CD1-CB 3.81Å; L98-A241 HydrophobicContact CD2-CB 3.93Å; L98-A241 HydrophobicContact CG-CB 3.82Å; E237-A241 WeakPolarHBondContact O-CB 3.32Å; E237-A241 PolarHBondContact O-N 3Å; L238-A241 PolarHBondContact O-N 3.18Å; A241-R244 PolarHBondContact O-N 2.96Å; A241-L245 PolarHBondContact O-N 3.18Å
242F97.6Very high96.4Very high0 Ų038.9 Ų38.90%020%0.204CC..Hα-helixtrans-67.6-40.7172-80.1-65.7000112L14 C17 I18 S21 I88 L89 T92 V94 L238 P239 Q240 R244 L245 C246L14-F242 HydrophobicContact CD1-CD2 4.01Å; L14-F242 HydrophobicContact CD1-CE2 4.07Å; C17-F242 HydrophobicContact CB-CB 3.76Å; I18-F242 HydrophobicContact CD1-CE2 4.17Å; I18-F242 HydrophobicContact CD1-CZ 4.41Å; I18-F242 HydrophobicContact CG1-CD1 4.29Å; I18-F242 HydrophobicContact CG1-CD2 3.74Å; I18-F242 HydrophobicContact CG1-CE1 4Å; I18-F242 HydrophobicContact CG1-CE2 3.42Å; I18-F242 VanDerWaalsContact CG1-CE2 3.42Å; I18-F242 HydrophobicContact CG1-CG 4.18Å; I18-F242 HydrophobicContact CG1-CZ 3.57Å; S21-F242 WeakPolarHBondContact OG-CB 3.26Å; S21-F242 PolarHBondContact OG-O 3.18Å; I88-F242 HydrophobicContact CG2-CE1 4.34Å; I88-F242 HydrophobicContact CG2-CZ 4.02Å; L89-F242 HydrophobicContact CD2-CE2 3.62Å; L89-F242 HydrophobicContact CD2-CZ 3.66Å; T92-F242 HydrophobicContact CG2-CE1 4.19Å; V94-F242 HydrophobicContact CG1-CD1 3.76Å; V94-F242 HydrophobicContact CG1-CE1 3.77Å; V94-F242 HydrophobicContact CG1-CG 4.34Å; V94-F242 HydrophobicContact CG1-CZ 4.35Å; V94-F242 HydrophobicContact CG2-CE1 4.08Å; V94-F242 HydrophobicContact CG2-CE2 4.36Å; V94-F242 HydrophobicContact CG2-CZ 3.88Å; L238-F242 VanDerWaalsContact O-CD2 3.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.36Å; L238-F242 PolarHBondContact O-N 2.93Å; L238-F242 VanDerWaalsContact O-N 3.14Å; P239-F242 PolarHBondContact O-N 3.42Å; Q240-F242 VanDerWaalsContact C-N 3.33Å; Q240-F242 PolarHBondContact O-N 2.87Å; F242-R244 VanDerWaalsContact C-N 3.27Å; F242-R244 PolarHBondContact O-N 2.78Å; F242-L245 HydrophobicContact CD1-CD2 4.37Å; F242-L245 WeakPolarHBondContact O-CB 3.24Å; F242-L245 PolarHBondContact O-N 2.82Å; F242-L245 VanDerWaalsContact O-N 3.08Å; F242-C246 WeakPolarHBondContact O-CB 3.18Å; F242-C246 PolarHBondContact O-N 2.9Å
243A95.6Very high96.3Very high4 Ų440.2 Ų40.23%0.03321%0.208CC..Hα-helixtrans-58.8-41.9175.300000112.2Y39 P239 Q240 C246 A247 Y253Y39-A243 HydrophobicContact CD1-CB 4.14Å; Y39-A243 HydrophobicContact CE1-CB 3.67Å; P239-A243 VanDerWaalsContact O-CB 3.31Å; P239-A243 WeakPolarHBondContact O-CB 3.47Å; P239-A243 PolarHBondContact O-N 3.49Å; Q240-A243 PolarHBondContact O-N 2.91Å; A243-C246 PolarHBondContact O-N 3.38Å; A243-A247 PolarHBondContact O-N 3.26Å; A243-A247 VanDerWaalsContact O-N 3.08Å; A243-Y253 VanDerWaalsContact CA-CZ 3.45Å; A243-Y253 WeakPolarHBondContact CA-OH 3.18Å; A243-Y253 HydrophobicContact CB-CD1 4.13Å; A243-Y253 HydrophobicContact CB-CE1 3.51Å; A243-Y253 HydrophobicContact CB-CE2 4.17Å; A243-Y253 WeakPolarHBondContact O-CE2 3.37Å
244R95.3Very high96.2Very high158 Ų15837.1 Ų37.160%0.59620%0.199SC*.Hα-helixtrans-61.6-46.3172.7179.758.2176.5-175.11.1112Q240 A241 F242 A247 V248Q240-R244 WeakPolarHBondContact O-CB 3.46Å; Q240-R244 PolarHBondContact O-N 2.93Å; A241-R244 PolarHBondContact O-N 2.96Å; F242-R244 VanDerWaalsContact C-N 3.27Å; F242-R244 PolarHBondContact O-N 2.78Å; R244-A247 PolarHBondContact O-N 3.47Å; R244-V248 WeakPolarHBondContact O-CG2 3.39Å; R244-V248 PolarHBondContact O-N 3.48Å
245L95.8Very high96.2Very high6 Ų639.7 Ų39.73%0.03121%0.212CC..Hα-helixtrans-59.2-49.1177.7-179.267.7000111.4M25 T92 V94 A241 F242 A247 V248 Y249M25-L245 HydrophobicContact SD-CD2 3.91Å; T92-L245 HydrophobicContact CG2-CD2 4.39Å; V94-L245 HydrophobicContact CG1-CB 3.95Å; V94-L245 HydrophobicContact CG1-CD2 3.5Å; V94-L245 HydrophobicContact CG1-CG 4.24Å; A241-L245 PolarHBondContact O-N 3.18Å; F242-L245 HydrophobicContact CD1-CD2 4.37Å; F242-L245 WeakPolarHBondContact O-CB 3.24Å; F242-L245 PolarHBondContact O-N 2.82Å; F242-L245 VanDerWaalsContact O-N 3.08Å; L245-A247 VanDerWaalsContact C-N 3.27Å; L245-A247 PolarHBondContact O-N 3.32Å; L245-V248 WeakPolarHBondContact O-CB 3.18Å; L245-V248 PolarHBondContact O-N 3.08Å; L245-Y249 HydrophobicContact CD1-CD2 3.98Å; L245-Y249 HydrophobicContact CD1-CE2 3.64Å; L245-Y249 HydrophobicContact CG-CD2 4.3Å; L245-Y249 HydrophobicContact CG-CE2 4.36Å; L245-Y249 WeakPolarHBondContact O-CD2 3.28Å; L245-Y249 PolarHBondContact O-N 2.88Å
246C96.2Very high96.1Very high0 Ų045.2 Ų45.20%024%0.242CC..Hα-helixtrans-57.6-41.1178.6-179.20000111.8S20 S24 F242 A243 V248 Y249 G250 G251 Y253S20-C246 PolarHBondContact O-SG 2.77Å; S20-C246 VanDerWaalsContact O-SG 3.39Å; S24-C246 WeakPolarHBondContact OG-CA 3.36Å; F242-C246 WeakPolarHBondContact O-CB 3.18Å; F242-C246 PolarHBondContact O-N 2.9Å; A243-C246 PolarHBondContact O-N 3.38Å; C246-V248 PolarHBondContact O-N 2.67Å; C246-Y249 CarbonylContact O-C 3.6Å; C246-Y249 PolarHBondContact O-N 2.85Å; C246-G250 PolarHBondContact O-N 3.13Å; C246-G251 WeakPolarHBondContact O-CA 3.38Å; C246-G251 PolarHBondContact O-N 3.18Å; C246-Y253 HydrophobicContact CB-CE2 3.67Å
247A95.8Very high96.1Very high46 Ų4646.5 Ų46.538%0.3825%0.246SC..Hα-helixtrans-64.8-35.7174.500000113.7A243 R244 L245 Y249 G250 G251A243-A247 PolarHBondContact O-N 3.26Å; A243-A247 VanDerWaalsContact O-N 3.08Å; R244-A247 PolarHBondContact O-N 3.47Å; L245-A247 VanDerWaalsContact C-N 3.27Å; L245-A247 PolarHBondContact O-N 3.32Å; A247-Y249 PolarHBondContact O-N 2.94Å; A247-G250 PolarHBondContact O-N 3.02Å; A247-G250 VanDerWaalsContact O-N 3.09Å; A247-G251 WeakPolarHBondContact CA-O 3.46Å
248V95.3Very high96Very high85 Ų8547 Ų4752%0.51526%0.255SS..Hα-helixtrans-61.8-34174.7168.70000111.5R244 L245 C246 G250R244-V248 WeakPolarHBondContact O-CG2 3.39Å; R244-V248 PolarHBondContact O-N 3.48Å; L245-V248 WeakPolarHBondContact O-CB 3.18Å; L245-V248 PolarHBondContact O-N 3.08Å; C246-V248 PolarHBondContact O-N 2.67Å; V248-G250 VanDerWaalsContact C-N 3.3Å
249Y95.7Very high96Very high118 Ų11848.5 Ų48.546%0.46326%0.262SS..THydrogen-bonded Turntrans-90.115.3176.2-74.8-90.1000113.6M25 L245 C246 A247M25-Y249 HydrophobicContact CG-CD1 4.2Å; M25-Y249 HydrophobicContact CG-CD2 3.82Å; M25-Y249 HydrophobicContact CG-CE1 4.15Å; M25-Y249 HydrophobicContact CG-CE2 3.79Å; M25-Y249 HydrophobicContact CG-CG 4.04Å; L245-Y249 HydrophobicContact CD1-CD2 3.98Å; L245-Y249 HydrophobicContact CD1-CE2 3.64Å; L245-Y249 HydrophobicContact CG-CD2 4.3Å; L245-Y249 HydrophobicContact CG-CE2 4.36Å; L245-Y249 WeakPolarHBondContact O-CD2 3.28Å; L245-Y249 PolarHBondContact O-N 2.88Å; C246-Y249 CarbonylContact O-C 3.6Å; C246-Y249 PolarHBondContact O-N 2.85Å; A247-Y249 PolarHBondContact O-N 2.94Å
250G95.1Very high95.9Very high54 Ų5453 Ų5356%0.55729%0.286SS*.THydrogen-bonded Turntrans89.77.1173.200000115.5C246 A247 V248C246-G250 PolarHBondContact O-N 3.13Å; A247-G250 PolarHBondContact O-N 3.02Å; A247-G250 VanDerWaalsContact O-N 3.09Å; V248-G250 VanDerWaalsContact C-N 3.3Å
251G96.9Very high95.9Very high8 Ų853.7 Ų53.78%0.08229%0.29CS..  trans-65.3142.4170.700000112.2C246 A247C246-G251 WeakPolarHBondContact O-CA 3.38Å; C246-G251 PolarHBondContact O-N 3.18Å; A247-G251 WeakPolarHBondContact CA-O 3.46Å
252T96.5Very high95.9Very high57 Ų5754.6 Ų54.635%0.3529%0.294SS..EExtended strand (participates in β ladder)trans-103.5129.5177.3-58.50000110.3V30 L31 H32 M254V30-T252 PolarHBondContact O-N 3.25Å; L31-T252 HydrophobicContact CD1-CG2 4Å; H32-T252 PolarHBondContact N-O 3.21Å; T252-M254 HydrophobicContact CG2-CE 3.79Å
253Y94.3Very high95.9Very high42 Ų4256.1 Ų56.117%0.16530%0.303CS..EExtended strand (participates in β ladder)trans-106.8140.1175.8-84.4-100.7000112.2T12 S20 H32 Y39 A243 C246T12-Y253 HydrophobicContact CG2-CD1 4.49Å; T12-Y253 HydrophobicContact CG2-CE1 4.28Å; S20-Y253 PolarHBondContact OG-OH 2.91Å; H32-Y253 HydrophobicContact CB-CD1 3.84Å; H32-Y253 HydrophobicContact CB-CD2 4.26Å; H32-Y253 HydrophobicContact CB-CE1 3.6Å; H32-Y253 HydrophobicContact CB-CE2 4Å; H32-Y253 HydrophobicContact CB-CG 4.17Å; H32-Y253 AromaticContact CD2-CE1 3.91Å; H32-Y253 AromaticContact CE1-CE1 3.8Å; H32-Y253 AromaticContact CG-CD1 3.94Å; H32-Y253 AromaticContact CG-CE1 3.32Å; H32-Y253 AromaticContact CG-CZ 3.58Å; H32-Y253 AromaticContact ND1-CE1 3.26Å; H32-Y253 VanDerWaalsContact ND1-CE1 3.26Å; H32-Y253 WeakPolarHBondContact ND1-CE1 3.44Å; H32-Y253 AromaticContact ND1-CZ 3.23Å; H32-Y253 PolarHBondContact ND1-OH 3.08Å; H32-Y253 CarbonylContact O-C 3.4Å; H32-Y253 VanDerWaalsContact O-CA 3.29Å; H32-Y253 WeakPolarHBondContact O-CA 3.37Å; Y39-Y253 AromaticContact CE1-CD1 3.88Å; Y39-Y253 HydrophobicContact CE1-CD1 3.88Å; Y39-Y253 HydrophobicContact CE1-CE1 4.18Å; A243-Y253 VanDerWaalsContact CA-CZ 3.45Å; A243-Y253 WeakPolarHBondContact CA-OH 3.18Å; A243-Y253 HydrophobicContact CB-CD1 4.13Å; A243-Y253 HydrophobicContact CB-CE1 3.51Å; A243-Y253 HydrophobicContact CB-CE2 4.17Å; A243-Y253 WeakPolarHBondContact O-CE2 3.37Å; C246-Y253 HydrophobicContact CB-CE2 3.67Å
254M95.1Very high96Very high53 Ų5359.4 Ų59.426%0.26132%0.318SS..EExtended strand (participates in β ladder)trans-138.9104.6173.9-59.8-177.1-173.900110.1M1 L31 H32 I33 D34 T252 K257M1-M254 HydrophobicContact CG-SD 4.37Å; L31-M254 HydrophobicContact CD1-CE 3.7Å; L31-M254 HydrophobicContact CD1-CG 4.16Å; L31-M254 HydrophobicContact CD1-SD 3.91Å; H32-M254 PolarHBondContact O-N 2.97Å; I33-M254 CarbonylContact C-O 3.53Å; I33-M254 VanDerWaalsContact CA-O 3.29Å; I33-M254 WeakPolarHBondContact CA-O 3.32Å; I33-M254 HydrophobicContact CG1-CB 4.32Å; D34-M254 PolarHBondContact N-O 3.15Å; T252-M254 HydrophobicContact CG2-CE 3.79Å; M254-K257 HydrophobicContact CB-CB 4.47Å
255L96.2Very high96.1Very high54 Ų5457.6 Ų57.628%0.28332%0.317SS..  trans-85.9168.9170.8-62.1-178.6000111.1T12 D34 Y39 K257T12-L255 HydrophobicContact CG2-CD2 4.06Å; D34-L255 HydrophobicContact CB-CD2 3.63Å; D34-L255 CarbonylContact O-C 3.46Å; Y39-L255 HydrophobicContact CD1-CD2 4.23Å; Y39-L255 HydrophobicContact CD2-CD1 4.14Å; Y39-L255 HydrophobicContact CE1-CD1 4.29Å; Y39-L255 HydrophobicContact CE1-CD2 4.06Å; Y39-L255 HydrophobicContact CE1-CG 4.44Å; Y39-L255 HydrophobicContact CE2-CD1 3.75Å; L255-K257 PolarHBondContact O-N 3.01Å
256N96Very high96.1Very high116 Ų11667.5 Ų67.562%0.6236%0.359SS*.SBendtrans53.143.1178.3-168.643.9000112.2D34 N36D34-N256 PolarHBondContact O-N 3.46Å; D34-N256 VanDerWaalsContact O-N 3.08Å; N36-N256 PolarHBondContact O-N 3.01Å
257K96.1Very high96.1Very high30 Ų3070 Ų7013%0.1339%0.386CS..  trans-133.586.5-173.3-175.362.6169.5160.20110I33 D34 M254 L255 S274 D275I33-K257 HydrophobicContact CG2-CB 3.79Å; I33-K257 HydrophobicContact CG2-CG 3.87Å; I33-K257 VanDerWaalsContact CG2-O 3.24Å; I33-K257 WeakPolarHBondContact CG2-O 3.43Å; D34-K257 PolarHBondContact O-N 2.91Å; M254-K257 HydrophobicContact CB-CB 4.47Å; L255-K257 PolarHBondContact O-N 3.01Å; K257-S274 WeakPolarHBondContact CD-OG 3.47Å; K257-S274 WeakPolarHBondContact CE-OG 3.36Å; K257-S274 PolarHBondContact NZ-OG 2.85Å; K257-D275 IonicContact NZ-OD2 3.58Å; K257-D275 PolarHBondContact NZ-OD2 2.82Å
258P95.6Very high96.2Very high70 Ų7074 Ų7446%0.45539%0.391SS..  trans-58.9145.1175.7-23.334.5000111.9S274P258-S274 VanDerWaalsContact O-CB 3.23Å; P258-S274 WeakPolarHBondContact O-CB 3.35Å; P258-S274 PolarHBondContact O-OG 3.47Å
259I96.7Very high96.4Very high31 Ų3170.2 Ų70.216%0.15937%0.368CS..  trans-100130174.9-59.9-58.1000108.7L10 I33 V272 Y290L10-I259 HydrophobicContact CD1-CG1 4.15Å; L10-I259 HydrophobicContact CD1-CG2 4.42Å; L10-I259 HydrophobicContact CD2-CD1 3.93Å; L10-I259 HydrophobicContact CD2-CG1 3.76Å; I33-I259 HydrophobicContact CB-CD1 4.48Å; I33-I259 HydrophobicContact CD1-CD1 3.93Å; I33-I259 HydrophobicContact CG2-CD1 3.89Å; I33-I259 HydrophobicContact CG2-CG1 4.43Å; I259-V272 HydrophobicContact CD1-CG2 4.4Å; I259-V272 HydrophobicContact CG2-CB 4.45Å; I259-Y290 HydrophobicContact CB-CD1 4.33Å; I259-Y290 HydrophobicContact CG1-CD1 4.19Å; I259-Y290 HydrophobicContact CG1-CE1 4.08Å
260D95.2Very high96.5Very high94 Ų9466.7 Ų66.750%0.50336%0.359SS..  trans-81.1-47.2-179.9-58.7-37.5000110.7K273 S274 D275D260-K273 PolarHBondContact N-O 3.46Å; D260-S274 VanDerWaalsContact OD2-CA 3.28Å; D260-S274 WeakPolarHBondContact OD2-CA 3.13Å; D260-D275 PolarHBondContact OD2-N 3.42Å
261E95.3Very high96.6Very high94 Ų9464.1 Ų64.144%0.43933%0.332SS..EExtended strand (participates in β ladder)trans-160.6154.5-178.361.2-173.9165.100112.4K273E261-K273 HydrophobicContact CG-CB 3.79Å; E261-K273 HydrophobicContact CG-CD 3.84Å; E261-K273 HydrophobicContact CG-CG 4.47Å; E261-K273 PolarHBondContact O-N 3.37Å; E261-K273 WeakPolarHBondContact OE1-CD 3.35Å; E261-K273 IonicContact OE1-NZ 2.77Å; E261-K273 PolarHBondContact OE1-NZ 3.22Å
262L97.7Very high96.7Very high27 Ų2763.8 Ų63.814%0.14133%0.328CS..EExtended strand (participates in β ladder)trans-84.3125.7163-75.468.9000108M264 V269 V284 V291 V402L262-M264 HydrophobicContact CB-SD 4.32Å; L262-M264 PolarHBondContact O-N 3.05Å; L262-V269 HydrophobicContact CB-CG2 4.38Å; L262-V284 HydrophobicContact CD2-CG1 4.49Å; L262-V291 HydrophobicContact CD1-CG1 3.81Å; L262-V291 HydrophobicContact CD2-CG1 3.51Å; L262-V291 HydrophobicContact CG-CG1 4.34Å; L262-V402 HydrophobicContact CD2-CG1 4.03Å; L262-V402 HydrophobicContact CD2-CG2 3.96Å
263V97.6Very high96.7Very high32 Ų3263.6 Ų63.619%0.19432%0.323CS..EExtended strand (participates in β ladder)trans-82.1110.7178.5-172.90000108.4V269 V270 G271 K273 I278V263-V269 WeakPolarHBondContact O-CA 3.1Å; V263-V270 HydrophobicContact CB-CG2 4.17Å; V263-V270 HydrophobicContact CG1-CG2 3.72Å; V263-V270 WeakPolarHBondContact O-CG2 3.46Å; V263-V270 PolarHBondContact O-N 3.02Å; V263-G271 PolarHBondContact N-O 2.8Å; V263-K273 HydrophobicContact CG2-CB 4.18Å; V263-I278 HydrophobicContact CG2-CD1 4.4Å; V263-I278 HydrophobicContact CG2-CG2 4.15Å
264M97.7Very high96.8Very high72 Ų7261.6 Ų61.636%0.35532%0.315SS..EExtended strand (participates in β ladder)trans-107.8130.9-177-57-63.5-72.200111.2L262 G267 R268 V269 M294 V402L262-M264 HydrophobicContact CB-SD 4.32Å; L262-M264 PolarHBondContact O-N 3.05Å; M264-G267 WeakPolarHBondContact CE-O 3.28Å; M264-R268 CarbonylContact C-O 3.52Å; M264-R268 WeakPolarHBondContact CA-O 3.47Å; M264-V269 HydrophobicContact CE-CB 4.49Å; M264-V269 VanDerWaalsContact SD-CA 3.56Å; M264-V269 HydrophobicContact SD-CB 3.66Å; M264-V269 HydrophobicContact SD-CG2 4.09Å; M264-M294 HydrophobicContact CE-CE 4.15Å; M264-V402 HydrophobicContact CE-CG2 4.42Å; M264-V402 HydrophobicContact SD-CG2 4.38Å
265E97.7Very high96.6Very high121 Ų12164 Ų6457%0.56533%0.329SS*.EExtended strand (participates in β ladder)trans-125.5127.4170.2-71.6-176.2-165.600110.1G267 R268 V270E265-G267 PolarHBondContact O-N 2.97Å; E265-G267 VanDerWaalsContact O-N 3.11Å; E265-R268 PolarHBondContact N-O 2.84Å; E265-R268 PolarHBondContact O-N 3.3Å; E265-V270 HydrophobicContact CB-CG1 3.93Å; E265-V270 HydrophobicContact CB-CG2 4.26Å; E265-V270 HydrophobicContact CG-CG1 4.23Å; E265-V270 HydrophobicContact CG-CG2 3.75Å
266K96.2Very high96.3Very high213 Ų21368.5 Ų68.593%0.92635%0.353SS*.THydrogen-bonded Turntrans5137.4178.5-56.8176.3-177.7172.10113.2R268K266-R268 VanDerWaalsContact C-N 3.3Å; K266-R268 PolarHBondContact O-N 3.31Å
267G95.6Very high96.3Very high54 Ų5467.7 Ų67.756%0.55734%0.344SS*.THydrogen-bonded Turntrans80.51-179.200000115.3M264 E265 S400M264-G267 WeakPolarHBondContact CE-O 3.28Å; E265-G267 PolarHBondContact O-N 2.97Å; E265-G267 VanDerWaalsContact O-N 3.11Å; G267-S400 WeakPolarHBondContact O-CA 3.18Å
268R98Very high96.3Very high129 Ų12969.7 Ų69.749%0.48736%0.356SS..EExtended strand (participates in β ladder)trans-111.3141.2178.7-77.7173.3-178.2179.24111.6M264 E265 K266 E399 S400 R401M264-R268 CarbonylContact C-O 3.52Å; M264-R268 WeakPolarHBondContact CA-O 3.47Å; E265-R268 PolarHBondContact N-O 2.84Å; E265-R268 PolarHBondContact O-N 3.3Å; K266-R268 VanDerWaalsContact C-N 3.3Å; K266-R268 PolarHBondContact O-N 3.31Å; R268-E399 WeakPolarHBondContact CG-O 3.24Å; R268-E399 PolarHBondContact NE-O 3.48Å; R268-E399 IonicContact NH2-OE2 3.32Å; R268-E399 PolarHBondContact NH2-OE2 2.7Å; R268-S400 CarbonylContact C-O 3.56Å; R268-S400 WeakPolarHBondContact CA-O 3.19Å; R268-R401 HydrophobicContact CG-CG 4.29Å
269V98.3Very high96.4Very high5 Ų566.4 Ų66.43%0.0333%0.334CS..EExtended strand (participates in β ladder)trans-69.4136170.270.20000110.2L262 V263 M264 G271 V284 S400 R401 V402L262-V269 HydrophobicContact CB-CG2 4.38Å; V263-V269 WeakPolarHBondContact O-CA 3.1Å; M264-V269 HydrophobicContact CE-CB 4.49Å; M264-V269 VanDerWaalsContact SD-CA 3.56Å; M264-V269 HydrophobicContact SD-CB 3.66Å; M264-V269 HydrophobicContact SD-CG2 4.09Å; V269-G271 WeakPolarHBondContact CG2-O 3.25Å; V269-V284 HydrophobicContact CB-CG2 4.45Å; V269-V284 HydrophobicContact CG1-CB 4.32Å; V269-V284 HydrophobicContact CG1-CG2 4.02Å; V269-V284 HydrophobicContact CG2-CG2 3.68Å; V269-S400 PolarHBondContact N-O 3.06Å; V269-R401 HydrophobicContact CG1-CB 3.87Å; V269-R401 VanDerWaalsContact CG1-O 3.22Å; V269-R401 WeakPolarHBondContact CG1-O 3.41Å; V269-V402 HydrophobicContact CB-CG2 3.8Å; V269-V402 HydrophobicContact CG1-CG2 3.85Å
270V98.2Very high96.5Very high45 Ų4571 Ų7127%0.27335%0.353SS..EExtended strand (participates in β ladder)trans-125.1-2.8176.9-62.70000112.5V263 E265 K280 C281V263-V270 HydrophobicContact CB-CG2 4.17Å; V263-V270 HydrophobicContact CG1-CG2 3.72Å; V263-V270 WeakPolarHBondContact O-CG2 3.46Å; V263-V270 PolarHBondContact O-N 3.02Å; E265-V270 HydrophobicContact CB-CG1 3.93Å; E265-V270 HydrophobicContact CB-CG2 4.26Å; E265-V270 HydrophobicContact CG-CG1 4.23Å; E265-V270 HydrophobicContact CG-CG2 3.75Å; V270-K280 WeakPolarHBondContact O-CA 3.47Å; V270-C281 CarbonylContact C-O 3.58Å; V270-C281 WeakPolarHBondContact CA-O 3.38Å; V270-C281 PolarHBondContact O-N 3.48Å
271G98.1Very high96.6Very high0 Ų066.8 Ų66.80%033%0.33CS..EExtended strand (participates in β ladder)trans174.1175.2176.400000113.7V263 V269 A279 C281V263-G271 PolarHBondContact N-O 2.8Å; V269-G271 WeakPolarHBondContact CG2-O 3.25Å; G271-A279 CarbonylContact C-O 3.5Å; G271-A279 WeakPolarHBondContact CA-O 3.43Å; G271-C281 VanDerWaalsContact CA-SG 3.59Å
272V98Very high96.8Very high0 Ų066.2 Ų66.20%033%0.33CS..EExtended strand (participates in β ladder)trans-121.8140.6169.7-59.40000109.7V8 L10 I33 I259 I278 A279 V284V8-V272 HydrophobicContact CB-CG1 4.41Å; V8-V272 HydrophobicContact CG1-CB 4.49Å; V8-V272 HydrophobicContact CG1-CG1 3.91Å; V8-V272 HydrophobicContact CG1-CG2 3.76Å; V8-V272 HydrophobicContact CG2-CG2 4.28Å; L10-V272 HydrophobicContact CD1-CG1 4.23Å; L10-V272 HydrophobicContact CD2-CG1 4.49Å; I33-V272 HydrophobicContact CD1-CG2 4.23Å; I259-V272 HydrophobicContact CD1-CG2 4.4Å; I259-V272 HydrophobicContact CG2-CB 4.45Å; V272-I278 WeakPolarHBondContact O-CA 3.33Å; V272-A279 HydrophobicContact CG2-CB 3.97Å; V272-A279 PolarHBondContact N-O 3.05Å; V272-A279 PolarHBondContact O-N 2.82Å; V272-V284 HydrophobicContact CG1-CG2 3.76Å
273K97.2Very high96.8Very high53 Ų5365.8 Ų65.823%0.2333%0.328CS..EExtended strand (participates in β ladder)trans-109135.9179.2-173.3-175.4173.9-176.80111.1D260 E261 V263 K277 I278D260-K273 PolarHBondContact N-O 3.46Å; E261-K273 HydrophobicContact CG-CB 3.79Å; E261-K273 HydrophobicContact CG-CD 3.84Å; E261-K273 HydrophobicContact CG-CG 4.47Å; E261-K273 PolarHBondContact O-N 3.37Å; E261-K273 WeakPolarHBondContact OE1-CD 3.35Å; E261-K273 IonicContact OE1-NZ 2.77Å; E261-K273 PolarHBondContact OE1-NZ 3.22Å; V263-K273 HydrophobicContact CG2-CB 4.18Å; K273-K277 VanDerWaalsContact CA-O 3.29Å; K273-K277 WeakPolarHBondContact CA-O 3.45Å; K273-I278 HydrophobicContact CB-CG1 4.21Å; K273-I278 HydrophobicContact CG-CG1 4.07Å
274S95.8Very high96.8Very high0 Ų064.2 Ų64.20%032%0.319CS..EExtended strand (participates in β ladder)trans-153.5128.8173.21730000110.1K257 P258 D260 N276 K277K257-S274 WeakPolarHBondContact CD-OG 3.47Å; K257-S274 WeakPolarHBondContact CE-OG 3.36Å; K257-S274 PolarHBondContact NZ-OG 2.85Å; P258-S274 VanDerWaalsContact O-CB 3.23Å; P258-S274 WeakPolarHBondContact O-CB 3.35Å; P258-S274 PolarHBondContact O-OG 3.47Å; D260-S274 VanDerWaalsContact OD2-CA 3.28Å; D260-S274 WeakPolarHBondContact OD2-CA 3.13Å; S274-N276 PolarHBondContact O-N 3.03Å; S274-K277 PolarHBondContact N-O 2.86Å; S274-K277 PolarHBondContact O-N 3Å; S274-K277 VanDerWaalsContact O-N 3.12Å
275D92Very high96.9Very high105 Ų10560.8 Ų60.856%0.56130%0.302SS*.THydrogen-bonded Turntrans52.948.7-178.3-62.7-40000112.8K257 D260 K277K257-D275 IonicContact NZ-OD2 3.58Å; K257-D275 PolarHBondContact NZ-OD2 2.82Å; D260-D275 PolarHBondContact OD2-N 3.42Å; D275-K277 PolarHBondContact O-N 2.57Å
276N89.9Confident96.9Very high147 Ų14755 Ų5579%0.78628%0.275SS*.THydrogen-bonded Turntrans60.310.8-177.4-60.2-53.7000115.8S274S274-N276 PolarHBondContact O-N 3.03Å
277K95.1Very high97Very high100 Ų10046.4 Ų46.444%0.43524%0.239SC..EExtended strand (participates in β ladder)trans-106.3145.8173.2-64-175.8176.9-169.50110.3M1 D2 K273 S274 D275M1-K277 HydrophobicContact CB-CB 3.86Å; M1-K277 HydrophobicContact CB-CD 4.01Å; M1-K277 HydrophobicContact CE-CB 4.22Å; M1-K277 WeakPolarHBondContact CE-O 3.44Å; M1-K277 HydrophobicContact CG-CB 4.49Å; D2-K277 WeakPolarHBondContact OD1-CB 3.31Å; D2-K277 WeakPolarHBondContact OD2-CD 3.49Å; D2-K277 IonicContact OD2-NZ 2.86Å; K273-K277 VanDerWaalsContact CA-O 3.29Å; K273-K277 WeakPolarHBondContact CA-O 3.45Å; S274-K277 PolarHBondContact N-O 2.86Å; S274-K277 PolarHBondContact O-N 3Å; S274-K277 VanDerWaalsContact O-N 3.12Å; D275-K277 PolarHBondContact O-N 2.57Å
278I96.5Very high97.1Very high72 Ų7244.3 Ų44.337%0.36922%0.216SC..EExtended strand (participates in β ladder)trans-119.1119.3-179.5-60.6174.7000108.8M1 V263 V272 K273 K280M1-I278 CarbonylContact O-C 3.53Å; V263-I278 HydrophobicContact CG2-CD1 4.4Å; V263-I278 HydrophobicContact CG2-CG2 4.15Å; V272-I278 WeakPolarHBondContact O-CA 3.33Å; K273-I278 HydrophobicContact CB-CG1 4.21Å; K273-I278 HydrophobicContact CG-CG1 4.07Å; I278-K280 HydrophobicContact CG2-CG 4.48Å
279A97.5Very high97.1Very high0 Ų041 Ų410%021%0.212CC..EExtended strand (participates in β ladder)trans-87.6112.8164.100000108.5M1 Y5 L31 G271 V272M1-A279 HydrophobicContact CE-CB 4.27Å; M1-A279 WeakPolarHBondContact O-CA 3.3Å; M1-A279 VanDerWaalsContact O-CB 3.24Å; M1-A279 WeakPolarHBondContact O-CB 3.31Å; M1-A279 PolarHBondContact O-N 2.75Å; M1-A279 HydrophobicContact SD-CB 4.14Å; Y5-A279 HydrophobicContact CD2-CB 4.16Å; Y5-A279 HydrophobicContact CE2-CB 4.06Å; L31-A279 HydrophobicContact CD2-CB 3.7Å; G271-A279 CarbonylContact C-O 3.5Å; G271-A279 WeakPolarHBondContact CA-O 3.43Å; V272-A279 HydrophobicContact CG2-CB 3.97Å; V272-A279 PolarHBondContact N-O 3.05Å; V272-A279 PolarHBondContact O-N 2.82Å
280K98.3Very high97Very high128 Ų12842 Ų4256%0.55722%0.215SC*.EExtended strand (participates in β ladder)trans-74.5141.6176.9-68.9-174.4179.6-177.50109.6D3 E4 Y5 V270 I278D3-K280 PolarHBondContact O-N 3.46Å; E4-K280 WeakPolarHBondContact CA-O 3.37Å; E4-K280 HydrophobicContact CB-CB 4.39Å; E4-K280 HydrophobicContact CG-CB 4.24Å; Y5-K280 PolarHBondContact N-O 3.45Å; V270-K280 WeakPolarHBondContact O-CA 3.47Å; I278-K280 HydrophobicContact CG2-CG 4.48Å
281C98.4Very high97Very high5 Ų540.1 Ų40.13%0.03420%0.204CC..EExtended strand (participates in β ladder)trans-153.6155178.263.10000114.1Y5 V8 V270 G271Y5-C281 WeakPolarHBondContact O-CA 3.09Å; V8-C281 HydrophobicContact CB-CB 4.26Å; V8-C281 HydrophobicContact CG2-CB 3.58Å; V270-C281 CarbonylContact C-O 3.58Å; V270-C281 WeakPolarHBondContact CA-O 3.38Å; V270-C281 PolarHBondContact O-N 3.48Å; G271-C281 VanDerWaalsContact CA-SG 3.59Å
282N98.1Very high96.9Very high82 Ų8244.9 Ų44.944%0.43924%0.235SC..SBendtrans-81.2-21.1176.8-62.3-37.7000113.3Y5 D6 R401Y5-N282 PolarHBondContact O-N 3.03Å; D6-N282 WeakPolarHBondContact O-CB 3.33Å; D6-N282 PolarHBondContact O-N 2.9Å; N282-R401 WeakPolarHBondContact O-CB 3.16Å
283M98.4Very high96.9Very high18 Ų1851 Ų519%0.08927%0.272CS..  trans-162.1161.3175.966.9-164.790.400112D6 V7 V8 R401 F403 V428D6-M283 PolarHBondContact O-N 3.11Å; V7-M283 HydrophobicContact CB-CG 4.24Å; V7-M283 HydrophobicContact CG1-CG 4.03Å; V7-M283 HydrophobicContact CG2-CE 4.21Å; V7-M283 HydrophobicContact CG2-CG 3.83Å; V7-M283 HydrophobicContact CG2-SD 3.98Å; V8-M283 PolarHBondContact N-O 2.84Å; M283-R401 CarbonylContact C-O 3.38Å; M283-R401 VanDerWaalsContact CA-O 3.23Å; M283-R401 WeakPolarHBondContact CA-O 3.41Å; M283-R401 HydrophobicContact CB-CB 4.07Å; M283-R401 VanDerWaalsContact CB-O 3.3Å; M283-R401 WeakPolarHBondContact CB-O 3.38Å; M283-R401 PolarHBondContact SD-NH2 3.21Å; M283-F403 HydrophobicContact CB-CD2 4.3Å; M283-F403 HydrophobicContact CB-CE2 3.98Å; M283-F403 HydrophobicContact CG-CE2 4.5Å; M283-F403 HydrophobicContact SD-CE2 4.07Å; M283-V428 HydrophobicContact SD-CG1 3.75Å
284V98.8Very high96.9Very high0 Ų050.4 Ų50.40%027%0.271CS..EExtended strand (participates in β ladder)trans-119.6136.7173.3172.70000109.7V8 L10 L262 V269 V272 C286 R401 V402 F403V8-V284 HydrophobicContact CB-CG2 4.35Å; V8-V284 CarbonylContact O-C 3.37Å; V8-V284 VanDerWaalsContact O-CA 3.24Å; V8-V284 WeakPolarHBondContact O-CA 3.3Å; L10-V284 HydrophobicContact CD1-CG1 3.98Å; L10-V284 HydrophobicContact CG-CG1 4.14Å; L262-V284 HydrophobicContact CD2-CG1 4.49Å; V269-V284 HydrophobicContact CB-CG2 4.45Å; V269-V284 HydrophobicContact CG1-CB 4.32Å; V269-V284 HydrophobicContact CG1-CG2 4.02Å; V269-V284 HydrophobicContact CG2-CG2 3.68Å; V272-V284 HydrophobicContact CG1-CG2 3.76Å; V284-C286 HydrophobicContact CG1-CB 4.27Å; V284-R401 PolarHBondContact N-O 3.02Å; V284-V402 WeakPolarHBondContact O-CA 3.4Å; V284-F403 PolarHBondContact O-N 3.43Å
285I98.8Very high97Very high0 Ų051.1 Ų51.10%028%0.275CS..EExtended strand (participates in β ladder)trans-112.7134165.2-57.8175.1000107.4V7 V8 V9 L10 L19 M23 F403 V428V7-I285 HydrophobicContact CG1-CD1 3.92Å; V7-I285 HydrophobicContact CG1-CG1 4.04Å; V8-I285 PolarHBondContact O-N 3.42Å; V9-I285 CarbonylContact C-O 3.6Å; V9-I285 VanDerWaalsContact CA-O 3.24Å; V9-I285 WeakPolarHBondContact CA-O 3.31Å; V9-I285 HydrophobicContact CG1-CB 4.33Å; V9-I285 HydrophobicContact CG1-CG2 4.47Å; V9-I285 HydrophobicContact CG2-CB 4.22Å; L10-I285 PolarHBondContact N-O 3Å; L19-I285 HydrophobicContact CB-CD1 4.07Å; L19-I285 HydrophobicContact CB-CG2 4.49Å; L19-I285 HydrophobicContact CD1-CG2 3.81Å; M23-I285 HydrophobicContact CG-CD1 4.4Å; I285-F403 CarbonylContact C-O 3.6Å; I285-F403 VanDerWaalsContact CA-O 3.25Å; I285-F403 WeakPolarHBondContact CA-O 3.26Å; I285-F403 HydrophobicContact CG1-CB 4.28Å; I285-V428 HydrophobicContact CD1-CG1 4.46Å; I285-V428 HydrophobicContact CD1-CG2 4.05Å; I285-V428 HydrophobicContact CG1-CG2 4.26Å
286C98.6Very high97.3Very high0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-156.1160.8-179.459.90000114.2L10 V284 Y290 F403 I404 S405L10-C286 HydrophobicContact CB-CB 3.75Å; L10-C286 HydrophobicContact CD1-CB 4.45Å; L10-C286 HydrophobicContact CG-CB 4.39Å; L10-C286 VanDerWaalsContact O-CA 3.25Å; L10-C286 WeakPolarHBondContact O-CA 3.26Å; V284-C286 HydrophobicContact CG1-CB 4.27Å; C286-Y290 HydrophobicContact CB-CD2 4.34Å; C286-Y290 HydrophobicContact CB-CG 4.49Å; C286-F403 PolarHBondContact N-O 3.27Å; C286-I404 VanDerWaalsContact O-CA 3.29Å; C286-I404 WeakPolarHBondContact O-CA 3.39Å; C286-S405 PolarHBondContact O-N 3.35Å
287D97.8Very high97.7Very high31 Ų3148 Ų4817%0.16625%0.253CS..  trans-76.316116376.769.1000111.4L10 S289 Y290L10-D287 PolarHBondContact O-N 3.38Å; D287-S289 PolarHBondContact O-N 3.32Å; D287-S289 WeakPolarHBondContact OD1-CA 3.48Å; D287-S289 WeakPolarHBondContact OD1-CB 3.31Å; D287-S289 PolarHBondContact OD1-N 3.47Å; D287-S289 PolarHBondContact OD1-OG 2.8Å; D287-Y290 PolarHBondContact O-N 3.46Å; D287-Y290 VanDerWaalsContact OD2-CE2 3.22Å; D287-Y290 WeakPolarHBondContact OD2-CE2 3.31Å
288P98Very high97.9Very high11 Ų1146.7 Ų46.77%0.07125%0.254CS..G310 helixtrans-53.8-26.6-176.3-31.738.9000115.7Y290 V291 V295 F391 I404 S405P288-Y290 PolarHBondContact O-N 3.14Å; P288-V291 CarbonylContact O-C 3.57Å; P288-V291 PolarHBondContact O-N 3.45Å; P288-V295 HydrophobicContact CB-CG1 4.02Å; P288-V295 HydrophobicContact CB-CG2 4.34Å; P288-V295 HydrophobicContact CG-CG1 4.49Å; P288-F391 HydrophobicContact CB-CB 3.69Å; P288-F391 HydrophobicContact CB-CD2 4.23Å; P288-F391 HydrophobicContact CB-CG 4.17Å; P288-F391 HydrophobicContact CG-CB 3.82Å; P288-I404 HydrophobicContact CG-CG2 4.28Å; P288-S405 VanDerWaalsContact CD-O 3.3Å; P288-S405 WeakPolarHBondContact CD-O 3.36Å; P288-S405 VanDerWaalsContact CG-O 3.23Å; P288-S405 WeakPolarHBondContact CG-O 3.04Å
289S96.7Very high97.9Very high59 Ų5946.3 Ų46.341%0.41325%0.252SS..G310 helixtrans-70.7-14.9-172.679.80000114.1K35 D287K35-S289 PolarHBondContact NZ-OG 2.81Å; D287-S289 PolarHBondContact O-N 3.32Å; D287-S289 WeakPolarHBondContact OD1-CA 3.48Å; D287-S289 WeakPolarHBondContact OD1-CB 3.31Å; D287-S289 PolarHBondContact OD1-N 3.47Å; D287-S289 PolarHBondContact OD1-OG 2.8Å
290Y97.7Very high97.9Very high26 Ų2649.2 Ų49.210%0.10227%0.266CS..G310 helixtrans-87.9-16.7176.4-70.4-87.3000113.3L10 G11 D34 K35 I259 C286 D287 P288L10-Y290 VanDerWaalsContact C-CE2 3.46Å; L10-Y290 HydrophobicContact CB-CD1 3.73Å; L10-Y290 HydrophobicContact CB-CD2 3.81Å; L10-Y290 HydrophobicContact CB-CE1 3.89Å; L10-Y290 HydrophobicContact CB-CE2 3.98Å; L10-Y290 HydrophobicContact CB-CG 3.68Å; L10-Y290 HydrophobicContact CD1-CD1 3.9Å; L10-Y290 HydrophobicContact CD1-CG 4.1Å; L10-Y290 HydrophobicContact CG-CD1 4.38Å; G11-Y290 VanDerWaalsContact N-CE2 3.34Å; G11-Y290 PolarHBondContact N-OH 3.24Å; D34-Y290 WeakPolarHBondContact CA-OH 3.26Å; D34-Y290 PolarHBondContact OD1-OH 3.36Å; K35-Y290 HydrophobicContact CB-CE1 4.42Å; K35-Y290 HydrophobicContact CD-CE1 4.31Å; K35-Y290 PolarHBondContact N-OH 3.22Å; I259-Y290 HydrophobicContact CB-CD1 4.33Å; I259-Y290 HydrophobicContact CG1-CD1 4.19Å; I259-Y290 HydrophobicContact CG1-CE1 4.08Å; C286-Y290 HydrophobicContact CB-CD2 4.34Å; C286-Y290 HydrophobicContact CB-CG 4.49Å; D287-Y290 PolarHBondContact O-N 3.46Å; D287-Y290 VanDerWaalsContact OD2-CE2 3.22Å; D287-Y290 WeakPolarHBondContact OD2-CE2 3.31Å; P288-Y290 PolarHBondContact O-N 3.14Å
291V97.4Very high97.9Very high6 Ų643.1 Ų43.14%0.03624%0.239CC..  trans-141.259.6-171.9-70.80000112.1L262 P288 T293 M294 V402 I404L262-V291 HydrophobicContact CD1-CG1 3.81Å; L262-V291 HydrophobicContact CD2-CG1 3.51Å; L262-V291 HydrophobicContact CG-CG1 4.34Å; P288-V291 CarbonylContact O-C 3.57Å; P288-V291 PolarHBondContact O-N 3.45Å; V291-T293 PolarHBondContact O-N 3.47Å; V291-M294 HydrophobicContact CB-CB 4.16Å; V291-M294 HydrophobicContact CB-CG 4.36Å; V291-M294 HydrophobicContact CB-SD 4.31Å; V291-M294 HydrophobicContact CG1-SD 4.29Å; V291-M294 HydrophobicContact CG2-CB 4.38Å; V291-M294 PolarHBondContact O-N 3.2Å; V291-V402 HydrophobicContact CG1-CG1 4.36Å; V291-I404 HydrophobicContact CB-CD1 4.48Å; V291-I404 HydrophobicContact CG2-CD1 3.5Å; V291-I404 HydrophobicContact CG2-CG1 3.8Å; V291-I404 HydrophobicContact CG2-CG2 4.02Å
292P96.4Very high97.9Very high99 Ų9942.9 Ų42.964%0.64324%0.238SC*.THydrogen-bonded Turntrans-60.2-16.7-174.625.2-35.7000114.4
293T96.7Very high98Very high129 Ų12939.4 Ų39.479%0.79122%0.218SC*.THydrogen-bonded Turntrans-89.4-7.117760.60000114.1V291V291-T293 PolarHBondContact O-N 3.47Å
294M97.9Very high98Very high40 Ų4038.6 Ų38.620%0.19721%0.214CC..SBendtrans-11414.5-178.2-59.8-177.517600112.3M264 V291 T394 V402 I404M264-M294 HydrophobicContact CE-CE 4.15Å; V291-M294 HydrophobicContact CB-CB 4.16Å; V291-M294 HydrophobicContact CB-CG 4.36Å; V291-M294 HydrophobicContact CB-SD 4.31Å; V291-M294 HydrophobicContact CG1-SD 4.29Å; V291-M294 HydrophobicContact CG2-CB 4.38Å; V291-M294 PolarHBondContact O-N 3.2Å; M294-T394 PolarHBondContact O-N 3.22Å; M294-T394 PolarHBondContact O-OG1 3.36Å; M294-T394 VanDerWaalsContact O-OG1 3.09Å; M294-V402 HydrophobicContact SD-CB 4.29Å; M294-V402 HydrophobicContact SD-CG1 4.07Å; M294-V402 HydrophobicContact SD-CG2 4.4Å; M294-I404 HydrophobicContact CB-CD1 3.56Å; M294-I404 WeakPolarHBondContact O-CD1 3.48Å
295V98.6Very high98Very high15 Ų1538.7 Ų38.79%0.09122%0.215CC..EExtended strand (participates in β ladder)trans-132.9152.6179.9-63.10000110.5P288 F391 V392 I404P288-V295 HydrophobicContact CB-CG1 4.02Å; P288-V295 HydrophobicContact CB-CG2 4.34Å; P288-V295 HydrophobicContact CG-CG1 4.49Å; V295-F391 HydrophobicContact CB-CB 4.1Å; V295-F391 HydrophobicContact CB-CD1 4.33Å; V295-F391 HydrophobicContact CG2-CB 4.22Å; V295-F391 HydrophobicContact CG2-CD1 3.82Å; V295-F391 HydrophobicContact CG2-CG 4.17Å; V295-V392 VanDerWaalsContact CA-O 3.27Å; V295-V392 WeakPolarHBondContact CA-O 3.17Å; V295-V392 WeakPolarHBondContact CB-O 3.27Å; V295-I404 HydrophobicContact CG1-CD1 4.04Å; V295-I404 HydrophobicContact CG1-CG2 3.84Å
296I98.4Very high98Very high90 Ų9038.7 Ų38.746%0.46222%0.215SC..EExtended strand (participates in β ladder)trans-117.7138.7172.147.9165.4000109.7V298 F391 V392 T394I296-V298 HydrophobicContact CD1-CG1 4.29Å; I296-V298 HydrophobicContact CG1-CG1 4.38Å; I296-V298 PolarHBondContact O-N 2.94Å; I296-F391 WeakPolarHBondContact O-CA 3.34Å; I296-V392 HydrophobicContact CD1-CG2 4.12Å; I296-V392 HydrophobicContact CG1-CG2 3.76Å; I296-V392 PolarHBondContact N-O 3.13Å; I296-V392 PolarHBondContact O-N 2.87Å; I296-V392 VanDerWaalsContact O-N 3.11Å; I296-T394 HydrophobicContact CB-CG2 4.28Å; I296-T394 HydrophobicContact CG1-CG2 4.18Å; I296-T394 HydrophobicContact CG2-CG2 3.54Å
297K98.2Very high98Very high96 Ų9638.7 Ų38.742%0.41722%0.215SC..EExtended strand (participates in β ladder)trans-70.4121.9169.2178.4177.3177.4161.80108.7D389 L390 F391K297-D389 HydrophobicContact CD-CB 4.23Å; K297-D389 WeakPolarHBondContact CD-OD2 3.42Å; K297-D389 VanDerWaalsContact CE-CG 3.47Å; K297-D389 VanDerWaalsContact CE-OD1 3.29Å; K297-D389 WeakPolarHBondContact CE-OD1 3.33Å; K297-D389 HydrophobicContact CG-CB 4.39Å; K297-D389 IonicContact NZ-OD1 2.59Å; K297-D389 PolarHBondContact NZ-OD1 3.39Å; K297-D389 IonicContact NZ-OD2 2.81Å; K297-D389 PolarHBondContact NZ-OD2 3.3Å; K297-L390 CarbonylContact C-O 3.54Å; K297-L390 WeakPolarHBondContact CA-O 3.4Å; K297-F391 HydrophobicContact CB-CD1 4.11Å; K297-F391 HydrophobicContact CB-CE1 3.79Å
298V97.6Very high98Very high74 Ų7437.2 Ų37.245%0.44821%0.207SC..EExtended strand (participates in β ladder)trans-105.5-28.8178-68.80000112.6I296 L390 V392I296-V298 HydrophobicContact CD1-CG1 4.29Å; I296-V298 HydrophobicContact CG1-CG1 4.38Å; I296-V298 PolarHBondContact O-N 2.94Å; V298-L390 HydrophobicContact CG2-CB 4.13Å; V298-L390 WeakPolarHBondContact CG2-O 3.37Å; V298-L390 PolarHBondContact N-O 2.94Å; V298-V392 HydrophobicContact CG1-CB 4.49Å; V298-V392 HydrophobicContact CG1-CG1 4.27Å; V298-V392 HydrophobicContact CG1-CG2 3.5Å; V298-V392 VanDerWaalsContact CG1-CG2 3.5Å; V298-V392 HydrophobicContact CG2-CG1 3.9Å
299D97Very high97.9Very high63 Ų6339.8 Ų39.834%0.33722%0.223SC..EExtended strand (participates in β ladder)trans-159.4-177.9-176.6-108.1-47.6000111.9I360 L390D299-I360 HydrophobicContact CB-CD1 4.47Å; D299-I360 HydrophobicContact CB-CG2 4.48Å; D299-I360 WeakPolarHBondContact OD1-CG2 3.43Å; D299-L390 HydrophobicContact CB-CB 4.1Å; D299-L390 HydrophobicContact CB-CD1 3.92Å; D299-L390 HydrophobicContact CB-CG 4.25Å; D299-L390 PolarHBondContact O-N 2.9Å
300Q98.2Very high97.9Very high62 Ų6239.7 Ų39.729%0.2922%0.216SC..EExtended strand (participates in β ladder)trans-132.2148.8164.8-62-173.4-78.900110.6I360 V361 V387 Q388 D389Q300-I360 CarbonylContact O-C 3.57Å; Q300-I360 WeakPolarHBondContact O-CA 3.43Å; Q300-V361 HydrophobicContact CB-CB 3.93Å; Q300-V361 HydrophobicContact CB-CG2 3.75Å; Q300-V361 PolarHBondContact O-N 3.32Å; Q300-V387 HydrophobicContact CB-CG1 4.35Å; Q300-Q388 CarbonylContact C-O 3.54Å; Q300-Q388 VanDerWaalsContact CA-O 3.25Å; Q300-Q388 WeakPolarHBondContact CA-O 3.45Å; Q300-D389 VanDerWaalsContact CG-OD1 3.31Å; Q300-D389 WeakPolarHBondContact CG-OD1 3.38Å; Q300-D389 PolarHBondContact NE2-OD1 3.44Å
301V98.5Very high97.8Very high0 Ų040.7 Ų40.70%023%0.225CC..EExtended strand (participates in β ladder)trans-115.6133.5172175.90000109.1R303 A358 T359 I360 V387 Q388 L390 A410V301-R303 HydrophobicContact CG1-CG 3.69Å; V301-A358 HydrophobicContact CG1-CB 4.46Å; V301-T359 WeakPolarHBondContact CA-O 3.36Å; V301-I360 HydrophobicContact CG2-CD1 3.71Å; V301-V387 CarbonylContact O-C 3.47Å; V301-V387 WeakPolarHBondContact O-CA 3.4Å; V301-Q388 PolarHBondContact N-O 3.31Å; V301-Q388 PolarHBondContact O-N 3.02Å; V301-L390 HydrophobicContact CB-CD2 4.47Å; V301-L390 HydrophobicContact CG2-CD1 3.62Å; V301-L390 HydrophobicContact CG2-CD2 3.71Å; V301-L390 HydrophobicContact CG2-CG 3.78Å; V301-A410 HydrophobicContact CG1-CB 3.82Å; V301-A410 HydrophobicContact CG2-CB 4.08Å
302V98.7Very high97.8Very high0 Ų040.6 Ų40.60%022%0.224CC..EExtended strand (participates in β ladder)trans-100.7134.1165.758.80000109.2A358 T359 V361 P366 L370 S386 V387V302-A358 VanDerWaalsContact O-CA 3.28Å; V302-A358 WeakPolarHBondContact O-CA 3.49Å; V302-T359 HydrophobicContact CG1-CG2 3.75Å; V302-T359 PolarHBondContact N-O 2.84Å; V302-T359 PolarHBondContact O-N 2.87Å; V302-T359 VanDerWaalsContact O-N 3.12Å; V302-V361 HydrophobicContact CB-CG2 3.92Å; V302-V361 HydrophobicContact CG1-CG2 4.04Å; V302-P366 HydrophobicContact CB-CB 3.75Å; V302-P366 HydrophobicContact CG1-CB 4.13Å; V302-P366 HydrophobicContact CG2-CB 3.81Å; V302-L370 HydrophobicContact CG1-CD1 4.48Å; V302-L370 HydrophobicContact CG1-CD2 3.99Å; V302-L370 HydrophobicContact CG1-CG 4.08Å; V302-L370 HydrophobicContact CG2-CD1 3.87Å; V302-L370 HydrophobicContact CG2-CG 4.23Å; V302-S386 CarbonylContact C-O 3.29Å; V302-S386 WeakPolarHBondContact CA-O 3.41Å; V302-V387 HydrophobicContact CB-CG2 4.22Å; V302-V387 HydrophobicContact CG2-CG2 4.01Å
303R98.7Very high97.6Very high9 Ų939.1 Ų39.13%0.03422%0.22CC..EExtended strand (participates in β ladder)trans-128.2145.1178.9-50.7-174.7-175.7-84.50.7109.8V301 V357 A358 Y385 S386 Y408 D409V301-R303 HydrophobicContact CG1-CG 3.69Å; R303-V357 CarbonylContact C-O 3.58Å; R303-V357 WeakPolarHBondContact CA-O 3.44Å; R303-A358 HydrophobicContact CB-CB 4.46Å; R303-A358 HydrophobicContact CG-CB 4.03Å; R303-Y385 WeakPolarHBondContact O-CA 3.43Å; R303-S386 PolarHBondContact N-O 3.15Å; R303-S386 PolarHBondContact O-N 3.3Å; R303-Y408 PolarHBondContact NH2-O 2.95Å; R303-D409 PolarHBondContact NH1-O 3.19Å; R303-D409 PolarHBondContact NH2-O 3.46Å
304A98.8Very high97.3Very high0 Ų038.3 Ų38.30%021%0.208CC..EExtended strand (participates in β ladder)trans-120.8129.4165.600000109.1H356 V357 L370 L374 V383 F384 Y385A304-H356 CarbonylContact O-C 3.44Å; A304-H356 VanDerWaalsContact O-CA 3.23Å; A304-H356 WeakPolarHBondContact O-CA 3.36Å; A304-V357 HydrophobicContact CB-CB 4.41Å; A304-V357 PolarHBondContact N-O 3.48Å; A304-V357 PolarHBondContact O-N 3.32Å; A304-L370 HydrophobicContact CB-CD1 3.55Å; A304-L374 HydrophobicContact CB-CD2 4.05Å; A304-V383 HydrophobicContact CB-CG2 3.91Å; A304-F384 CarbonylContact C-O 3.6Å; A304-F384 VanDerWaalsContact CA-O 3.22Å; A304-F384 WeakPolarHBondContact CA-O 3.25Å; A304-Y385 HydrophobicContact CB-CD1 3.83Å; A304-Y385 HydrophobicContact CB-CE1 3.75Å
305I98.8Very high97Very high2 Ų236.5 Ų36.51%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-99.8121.7165.3-52.3-179.2000106.8L51 F55 V72 L74 V354 V383 F384L51-I305 HydrophobicContact CD1-CD1 4.1Å; F55-I305 HydrophobicContact CE2-CD1 3.94Å; F55-I305 HydrophobicContact CZ-CD1 3.97Å; V72-I305 HydrophobicContact CG1-CG2 3.75Å; L74-I305 HydrophobicContact CD2-CD1 4.34Å; I305-V354 HydrophobicContact CG2-CG1 4.21Å; I305-V383 CarbonylContact O-C 3.59Å; I305-V383 WeakPolarHBondContact O-CA 3.49Å; I305-F384 HydrophobicContact CB-CB 4.3Å; I305-F384 HydrophobicContact CB-CD2 4.22Å; I305-F384 HydrophobicContact CG2-CD2 4.43Å; I305-F384 PolarHBondContact N-O 2.95Å; I305-F384 WeakPolarHBondContact O-CD2 3.46Å; I305-F384 PolarHBondContact O-N 3.25Å
306C98.8Very high96.5Very high0 Ų042.5 Ų42.50%023%0.226CC..EExtended strand (participates in β ladder)trans-118.7126.6-173.4-56.70000109.5L308 A355 L374 L377 I380 Q382C306-L308 HydrophobicContact CB-CD2 4.28Å; C306-A355 WeakPolarHBondContact CA-O 3.5Å; C306-A355 HydrophobicContact CB-CB 4.28Å; C306-A355 WeakPolarHBondContact CB-O 3.48Å; C306-A355 PolarHBondContact N-O 2.97Å; C306-A355 PolarHBondContact O-N 3.38Å; C306-L374 VanDerWaalsContact SG-CD2 3.52Å; C306-L377 HydrophobicContact CB-CD1 3.79Å; C306-I380 HydrophobicContact CB-CG2 3.98Å; C306-Q382 CarbonylContact C-O 3.26Å; C306-Q382 WeakPolarHBondContact CA-O 3.29Å
307I98.4Very high95.9Very high0 Ų044.6 Ų44.60%024%0.238CC..EExtended strand (participates in β ladder)trans-92.3126.7168-58.5177.3000107.5I48 F52 Y64 W70 F352 E381 Q382 F384I48-I307 HydrophobicContact CD1-CD1 3.57Å; F52-I307 HydrophobicContact CE2-CD1 4.42Å; Y64-I307 HydrophobicContact CD1-CD1 4.4Å; Y64-I307 HydrophobicContact CD1-CG2 4.4Å; Y64-I307 HydrophobicContact CE1-CD1 3.99Å; Y64-I307 HydrophobicContact CE1-CG2 3.95Å; W70-I307 HydrophobicContact CH2-CD1 4.34Å; W70-I307 HydrophobicContact CH2-CG2 3.86Å; W70-I307 HydrophobicContact CZ3-CD1 4.26Å; W70-I307 HydrophobicContact CZ3-CG1 4.37Å; W70-I307 HydrophobicContact CZ3-CG2 4.31Å; I307-F352 HydrophobicContact CG2-CD1 3.79Å; I307-F352 HydrophobicContact CG2-CE1 4.27Å; I307-E381 HydrophobicContact CB-CB 4.48Å; I307-E381 HydrophobicContact CG2-CB 4.31Å; I307-E381 HydrophobicContact CG2-CG 4.46Å; I307-E381 VanDerWaalsContact O-CB 3.29Å; I307-E381 WeakPolarHBondContact O-CB 3.36Å; I307-E381 PolarHBondContact O-N 2.87Å; I307-Q382 HydrophobicContact CB-CB 4.35Å; I307-Q382 HydrophobicContact CD1-CB 4.32Å; I307-Q382 PolarHBondContact N-O 3.03Å; I307-Q382 PolarHBondContact O-N 2.79Å; I307-F384 HydrophobicContact CD1-CE2 4.02Å; I307-F384 HydrophobicContact CG1-CE2 4.35Å
308L98.3Very high95.7Very high0 Ų040.4 Ų40.40%022%0.221CC..EExtended strand (participates in β ladder)trans-118.8152.7174.5-39.5173.4000109.5C306 I312 F352 F353 A355 L377 I380C306-L308 HydrophobicContact CB-CD2 4.28Å; L308-I312 HydrophobicContact CD1-CG1 4.01Å; L308-F352 CarbonylContact O-C 3.58Å; L308-F352 WeakPolarHBondContact O-CA 3.34Å; L308-F353 HydrophobicContact CB-CB 4.16Å; L308-F353 PolarHBondContact N-O 3.4Å; L308-F353 PolarHBondContact O-N 2.84Å; L308-A355 HydrophobicContact CD1-CB 4.07Å; L308-L377 HydrophobicContact CD1-CB 4.16Å; L308-L377 HydrophobicContact CD1-CD2 4.41Å; L308-L377 HydrophobicContact CD2-CB 4.05Å; L308-L377 HydrophobicContact CD2-CD1 4.47Å; L308-I380 HydrophobicContact CD2-CB 4.21Å; L308-I380 HydrophobicContact CD2-CG1 3.85Å; L308-I380 HydrophobicContact CD2-CG2 4.21Å
309T97Very high95.6Very high66 Ų6639.1 Ų39.141%0.40521%0.211SC..SBendtrans-109.415.8175510000112.2N351 F352 E381T309-N351 CarbonylContact C-O 3.56Å; T309-N351 VanDerWaalsContact C-O 3.26Å; T309-N351 VanDerWaalsContact CA-O 3.26Å; T309-N351 WeakPolarHBondContact CA-O 3.46Å; T309-F352 HydrophobicContact CG2-CD1 3.96Å; T309-F352 HydrophobicContact CG2-CE1 3.67Å; T309-F352 HydrophobicContact CG2-CZ 4.48Å; T309-E381 HydrophobicContact CG2-CB 4.32Å; T309-E381 HydrophobicContact CG2-CG 4.35Å
310H96.4Very high95.6Very high57 Ų5736.1 Ų36.126%0.26420%0.195SC..SBendtrans-153.5155.6179.958.876.2000109.9F353 L377 T379H310-F353 VanDerWaalsContact C-CD2 3.42Å; H310-F353 VanDerWaalsContact O-CD2 3.26Å; H310-F353 WeakPolarHBondContact O-CD2 3.38Å; H310-L377 PolarHBondContact CE1-O 3.32Å; H310-T379 PolarHBondContact NE2-N 2.93Å; H310-T379 PolarHBondContact NE2-O 3.15Å
311P95.2Very high95.6Very high46 Ų4633.2 Ų33.230%0.29918%0.182SC..PPolyproline II helixtrans-63.5157.9172.327.7-34.8000110.8F353P311-F353 HydrophobicContact CB-CE1 4.05Å; P311-F353 HydrophobicContact CB-CE2 4.37Å; P311-F353 HydrophobicContact CB-CZ 3.81Å; P311-F353 HydrophobicContact CG-CZ 4.41Å
312I96.9Very high95.6Very high5 Ų533.2 Ų33.23%0.02618%0.182CC..PPolyproline II helixtrans-62.5142.1170.8-62175.2000108.6L308 V315 T321 I323 I338 C340 L376 L377L308-I312 HydrophobicContact CD1-CG1 4.01Å; I312-V315 HydrophobicContact CB-CG2 3.82Å; I312-V315 HydrophobicContact CG2-CG1 4.22Å; I312-V315 HydrophobicContact CG2-CG2 4.25Å; I312-V315 WeakPolarHBondContact O-CG2 3.27Å; I312-T321 HydrophobicContact CD1-CG2 3.95Å; I312-I323 HydrophobicContact CD1-CD1 4.4Å; I312-I323 HydrophobicContact CG2-CD1 4.11Å; I312-I338 HydrophobicContact CD1-CG2 4.42Å; I312-C340 HydrophobicContact CD1-CB 3.55Å; I312-C340 HydrophobicContact CG1-CB 4.49Å; I312-L376 WeakPolarHBondContact CG2-O 3.25Å; I312-L377 HydrophobicContact CD1-CD2 3.45Å; I312-L377 VanDerWaalsContact CD1-CD2 3.45Å; I312-L377 HydrophobicContact CG1-CD2 3.84Å
313A92.8Very high95.5Very high67 Ų6733.2 Ų33.255%0.55418%0.182SC*.THydrogen-bonded Turntrans-69.6160.4176.200000111.4V315A313-V315 PolarHBondContact O-N 3.18Å
314E89.2Confident95.5Very high113 Ų11332.9 Ų32.953%0.52818%0.18SC..THydrogen-bonded Turntrans62.8-8.5175.9-56.9-172.3-174.900117.2S113 V114 Q316S113-E314 WeakPolarHBondContact CA-OE2 3.26Å; S113-E314 WeakPolarHBondContact CB-OE2 3.34Å; V114-E314 HydrophobicContact CB-CB 4.24Å; V114-E314 PolarHBondContact N-OE2 3.45Å; E314-Q316 VanDerWaalsContact C-N 3.26Å; E314-Q316 PolarHBondContact O-N 3.25Å
315V92.3Very high95.4Very high1 Ų133 Ų331%0.00618%0.181CC..SBendtrans-88.832.6176.3-61.30000113.4Y107 V114 I312 A313 N317 S318 T321 I323Y107-V315 HydrophobicContact CD1-CG1 4.31Å; Y107-V315 HydrophobicContact CD2-CB 4.4Å; Y107-V315 HydrophobicContact CD2-CG1 4.01Å; Y107-V315 HydrophobicContact CE1-CB 4.19Å; Y107-V315 HydrophobicContact CE1-CG1 4.34Å; Y107-V315 HydrophobicContact CE2-CB 3.86Å; Y107-V315 HydrophobicContact CE2-CG1 3.99Å; Y107-V315 HydrophobicContact CG-CG1 4.19Å; Y107-V315 PolarHBondContact OH-O 3.37Å; V114-V315 HydrophobicContact CG1-CG1 4.07Å; I312-V315 HydrophobicContact CB-CG2 3.82Å; I312-V315 HydrophobicContact CG2-CG1 4.22Å; I312-V315 HydrophobicContact CG2-CG2 4.25Å; I312-V315 WeakPolarHBondContact O-CG2 3.27Å; A313-V315 PolarHBondContact O-N 3.18Å; V315-N317 VanDerWaalsContact C-N 3.26Å; V315-N317 PolarHBondContact O-N 2.92Å; V315-N317 VanDerWaalsContact O-N 3.1Å; V315-S318 WeakPolarHBondContact O-CB 3.46Å; V315-S318 PolarHBondContact O-N 3.01Å; V315-T321 HydrophobicContact CG1-CG2 4.33Å; V315-T321 HydrophobicContact CG2-CG2 4.39Å; V315-I323 HydrophobicContact CG1-CD1 3.9Å; V315-I323 HydrophobicContact CG1-CG1 4.35Å
316Q87.7Confident95.2Very high141 Ų14133.1 Ų33.166%0.65918%0.182SC*.THydrogen-bonded Turntrans53.335.8173-53.8179.37.400114.9E314 S318E314-Q316 VanDerWaalsContact C-N 3.26Å; E314-Q316 PolarHBondContact O-N 3.25Å; Q316-S318 PolarHBondContact O-N 3.23Å
317N86.8Confident95Very high134 Ų13434.4 Ų34.472%0.71719%0.188SC*.THydrogen-bonded Turntrans58.523.8-174.6-55.1-41.9000114.5V315 L319V315-N317 VanDerWaalsContact C-N 3.26Å; V315-N317 PolarHBondContact O-N 2.92Å; V315-N317 VanDerWaalsContact O-N 3.1Å; N317-L319 PolarHBondContact O-N 2.98Å
318S93.2Very high94.7Very high8 Ų837 Ų376%0.05621%0.206CC..  trans-58.6126.3176.1-162.20000110.5E104 G105 V315 Q316 S320E104-S318 WeakPolarHBondContact CB-OG 3.39Å; G105-S318 PolarHBondContact N-OG 2.86Å; V315-S318 WeakPolarHBondContact O-CB 3.46Å; V315-S318 PolarHBondContact O-N 3.01Å; Q316-S318 PolarHBondContact O-N 3.23Å; S318-S320 PolarHBondContact O-N 3.46Å; S318-S320 PolarHBondContact OG-O 2.8Å
319L96Very high94.5Very high48 Ų4839.7 Ų39.725%0.25122%0.219SC..SBendtrans-80.6-7.7179.1-68-179.6000113.3E104 N317 S342 Q344 F353E104-L319 PolarHBondContact OE2-N 3.15Å; N317-L319 PolarHBondContact O-N 2.98Å; L319-S342 VanDerWaalsContact O-CB 3.3Å; L319-S342 WeakPolarHBondContact O-CB 3.15Å; L319-S342 PolarHBondContact O-OG 3.35Å; L319-Q344 HydrophobicContact CB-CB 4.48Å; L319-F353 HydrophobicContact CD2-CE1 3.85Å; L319-F353 HydrophobicContact CD2-CZ 3.82Å
320S97.5Very high94.4Very high0 Ų038 Ų380%021%0.208CC..SBendtrans-152.8141.1170.953.10000109.9V103 E104 G105 S318 C340 H345V103-S320 WeakPolarHBondContact CA-OG 3.47Å; E104-S320 PolarHBondContact N-O 3.11Å; E104-S320 PolarHBondContact N-OG 2.83Å; G105-S320 PolarHBondContact N-O 2.93Å; S318-S320 PolarHBondContact O-N 3.46Å; S318-S320 PolarHBondContact OG-O 2.8Å; S320-C340 CarbonylContact C-O 3.54Å; S320-C340 WeakPolarHBondContact CA-O 3.38Å; S320-C340 WeakPolarHBondContact CB-O 3.33Å; S320-H345 WeakPolarHBondContact CB-CE1 3.46Å; S320-H345 PolarHBondContact OG-CE1 2.75Å; S320-H345 VanDerWaalsContact OG-CE1 3.24Å
321T97.5Very high94.2Very high1 Ų143 Ų431%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-155.1149.9-174.7-1780000113.4F78 G105 Y107 I312 V315 I323 T339 C340F78-T321 WeakPolarHBondContact CE2-O 3.13Å; G105-T321 CarbonylContact O-C 3.56Å; G105-T321 VanDerWaalsContact O-CA 3.27Å; G105-T321 WeakPolarHBondContact O-CA 3.44Å; G105-T321 PolarHBondContact O-OG1 2.89Å; Y107-T321 WeakPolarHBondContact CD2-OG1 3.26Å; Y107-T321 WeakPolarHBondContact CE2-OG1 3.5Å; I312-T321 HydrophobicContact CD1-CG2 3.95Å; V315-T321 HydrophobicContact CG1-CG2 4.33Å; V315-T321 HydrophobicContact CG2-CG2 4.39Å; T321-I323 HydrophobicContact CG2-CG1 4.44Å; T321-T339 CarbonylContact O-C 3.55Å; T321-T339 WeakPolarHBondContact O-CA 3.44Å; T321-C340 HydrophobicContact CG2-CB 3.74Å; T321-C340 PolarHBondContact N-O 2.82Å; T321-C340 PolarHBondContact O-N 2.92Å
322Q97.8Very high94.2Very high0 Ų042.3 Ų42.30%023%0.228CC..EExtended strand (participates in β ladder)trans-107134.1160.4-170.5-163.863.100108.9F78 G105 S106 Y107 Y228 I338 T412F78-Q322 HydrophobicContact CD2-CB 3.94Å; F78-Q322 HydrophobicContact CD2-CG 4.34Å; F78-Q322 HydrophobicContact CE2-CB 3.84Å; F78-Q322 HydrophobicContact CE2-CG 4.49Å; G105-Q322 PolarHBondContact O-N 3.22Å; S106-Q322 PolarHBondContact OG-OE1 2.59Å; Y107-Q322 PolarHBondContact N-O 2.81Å; Y228-Q322 HydrophobicContact CD2-CB 4.43Å; Y228-Q322 HydrophobicContact CE2-CB 4.32Å; Y228-Q322 VanDerWaalsContact CE2-CD 3.41Å; Y228-Q322 PolarHBondContact OH-NE2 3.31Å; Y228-Q322 PolarHBondContact OH-OE1 2.84Å; Y228-Q322 VanDerWaalsContact OH-OE1 3.11Å; Q322-I338 CarbonylContact C-O 3.52Å; Q322-I338 WeakPolarHBondContact CA-O 3.31Å; Q322-T412 VanDerWaalsContact CD-OG1 3.32Å; Q322-T412 HydrophobicContact CG-CG2 4.05Å; Q322-T412 WeakPolarHBondContact CG-OG1 3.11Å; Q322-T412 PolarHBondContact NE2-OG1 2.83Å
323I97.8Very high94Very high0 Ų049.2 Ų49.20%026%0.258CS..EExtended strand (participates in β ladder)trans-126.7129.8169.6-46170.5000108.1Y107 V114 I312 V315 T321 I338 L376Y107-I323 WeakPolarHBondContact O-CA 3.46Å; V114-I323 HydrophobicContact CG1-CD1 4.27Å; V114-I323 HydrophobicContact CG1-CG1 4.38Å; V114-I323 HydrophobicContact CG1-CG2 4.07Å; V114-I323 HydrophobicContact CG2-CG2 4.37Å; I312-I323 HydrophobicContact CD1-CD1 4.4Å; I312-I323 HydrophobicContact CG2-CD1 4.11Å; V315-I323 HydrophobicContact CG1-CD1 3.9Å; V315-I323 HydrophobicContact CG1-CG1 4.35Å; T321-I323 HydrophobicContact CG2-CG1 4.44Å; I323-I338 HydrophobicContact CB-CB 4.02Å; I323-I338 HydrophobicContact CB-CD1 4.25Å; I323-I338 HydrophobicContact CB-CG1 4.45Å; I323-I338 HydrophobicContact CD1-CD1 4.39Å; I323-I338 PolarHBondContact N-O 2.89Å; I323-I338 PolarHBondContact O-N 3.32Å; I323-L376 HydrophobicContact CG2-CD1 4.45Å
324I97.6Very high94.1Very high2 Ų248.3 Ų48.31%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-107.8129.9171.3-62.7173.5000108Y107 V108 Y109 H190 L194 P326 D335 Y337Y107-I324 PolarHBondContact O-N 3.01Å; V108-I324 CarbonylContact C-O 3.52Å; V108-I324 WeakPolarHBondContact CA-O 3.41Å; Y109-I324 PolarHBondContact N-O 3.05Å; H190-I324 WeakPolarHBondContact O-CD1 3.41Å; L194-I324 HydrophobicContact CD2-CD1 3.72Å; I324-P326 WeakPolarHBondContact O-CD 3.34Å; I324-D335 HydrophobicContact CG2-CB 4.39Å; I324-Y337 HydrophobicContact CG1-CD1 4.16Å; I324-Y337 HydrophobicContact CG1-CE1 4.38Å; I324-Y337 HydrophobicContact CG2-CE1 4.32Å
325I96.9Very high94.4Very high1 Ų142.9 Ų42.91%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-104.8102.3170.2-51.6-178.6000107Y109 Q327 E329 V330 D335 I336 I338 P372 L376Y109-I325 HydrophobicContact CD1-CG2 3.85Å; Y109-I325 HydrophobicContact CG-CG1 4.35Å; Y109-I325 HydrophobicContact CG-CG2 4.23Å; I325-Q327 PolarHBondContact O-N 3.2Å; I325-E329 HydrophobicContact CG2-CB 4.43Å; I325-V330 HydrophobicContact CG2-CG1 3.64Å; I325-V330 HydrophobicContact CG2-CG2 4.18Å; I325-D335 VanDerWaalsContact O-CA 3.32Å; I325-D335 WeakPolarHBondContact O-CA 3.3Å; I325-D335 WeakPolarHBondContact O-CB 3.23Å; I325-I336 HydrophobicContact CB-CB 4.08Å; I325-I336 HydrophobicContact CD1-CB 4.25Å; I325-I336 HydrophobicContact CD1-CG2 4.33Å; I325-I336 HydrophobicContact CG1-CB 4.44Å; I325-I336 PolarHBondContact N-O 3.14Å; I325-I336 PolarHBondContact O-N 3.48Å; I325-I338 HydrophobicContact CD1-CD1 4.24Å; I325-P372 HydrophobicContact CD1-CB 4.25Å; I325-L376 HydrophobicContact CD1-CD1 3.85Å; I325-L376 HydrophobicContact CG1-CD1 4.32Å
326P95.4Very high94.7Very high5 Ų542.9 Ų42.93%0.03222%0.217CC..  trans-58.2139.8178.8-24.634.8000111.5V108 Y109 I324 S328 E329 D335V108-P326 HydrophobicContact CG2-CG 3.76Å; Y109-P326 WeakPolarHBondContact O-CD 3.49Å; I324-P326 WeakPolarHBondContact O-CD 3.34Å; P326-S328 PolarHBondContact O-N 3.08Å; P326-E329 HydrophobicContact CB-CG 4.25Å; P326-E329 HydrophobicContact CG-CG 4.39Å; P326-E329 WeakPolarHBondContact O-CB 3.45Å; P326-E329 PolarHBondContact O-N 2.9Å; P326-D335 VanDerWaalsContact CA-OD1 3.25Å; P326-D335 WeakPolarHBondContact CA-OD1 3.43Å
327Q94.1Very high95.2Very high27 Ų2736.8 Ų36.813%0.12619%0.188CC..G310 helixtrans-52.3-32.6-178.367.9-17165.400113.6Q196 I325 E329 V330 N331 R332 K333 H334 D335Q196-Q327 PolarHBondContact O-OE1 2.83Å; I325-Q327 PolarHBondContact O-N 3.2Å; Q327-E329 VanDerWaalsContact C-N 3.28Å; Q327-E329 PolarHBondContact O-N 2.85Å; Q327-V330 PolarHBondContact O-N 3.43Å; Q327-N331 PolarHBondContact O-N 2.98Å; Q327-R332 HydrophobicContact CB-CB 4.4Å; Q327-R332 WeakPolarHBondContact CB-O 3.25Å; Q327-R332 PolarHBondContact O-N 3.35Å; Q327-K333 PolarHBondContact NE2-O 3.37Å; Q327-K333 PolarHBondContact OE1-O 3.47Å; Q327-H334 VanDerWaalsContact CB-C 3.49Å; Q327-D335 PolarHBondContact N-OD1 3.01Å
328S92Very high95.8Very high56 Ų5630.4 Ų30.439%0.39215%0.154SC..G310 helixtrans-68-23.6178.655.70000113.9N186 P326 V330N186-S328 PolarHBondContact ND2-OG 3.02Å; N186-S328 VanDerWaalsContact ND2-OG 3.17Å; P326-S328 PolarHBondContact O-N 3.08Å; S328-V330 VanDerWaalsContact C-N 3.32Å
329E94.1Very high96Very high56 Ų5630.1 Ų30.126%0.26215%0.152SC..G310 helixtrans-79.3-17.7179.4-62.8-70142.800112.6Y109 H110 S111 I325 P326 Q327Y109-E329 HydrophobicContact CD1-CB 3.92Å; Y109-E329 HydrophobicContact CD1-CG 4.19Å; Y109-E329 HydrophobicContact CE1-CB 4.05Å; H110-E329 WeakPolarHBondContact CA-OE2 3.5Å; H110-E329 IonicContact CE1-OE1 3.99Å; H110-E329 IonicContact CG-OE1 3.84Å; H110-E329 IonicContact ND1-OE1 2.94Å; H110-E329 PolarHBondContact ND1-OE1 3.03Å; H110-E329 IonicContact ND1-OE2 2.6Å; S111-E329 PolarHBondContact N-OE2 2.92Å; I325-E329 HydrophobicContact CG2-CB 4.43Å; P326-E329 HydrophobicContact CB-CG 4.25Å; P326-E329 HydrophobicContact CG-CG 4.39Å; P326-E329 WeakPolarHBondContact O-CB 3.45Å; P326-E329 PolarHBondContact O-N 2.9Å; Q327-E329 VanDerWaalsContact C-N 3.28Å; Q327-E329 PolarHBondContact O-N 2.85Å
330V94.7Very high96.1Very high30 Ų3027.9 Ų27.918%0.18214%0.14CC..THydrogen-bonded Turntrans-12813-171.7-70.10000113.2I325 Q327 S328 R332 I336 P372I325-V330 HydrophobicContact CG2-CG1 3.64Å; I325-V330 HydrophobicContact CG2-CG2 4.18Å; Q327-V330 PolarHBondContact O-N 3.43Å; S328-V330 VanDerWaalsContact C-N 3.32Å; V330-R332 VanDerWaalsContact C-N 3.3Å; V330-R332 HydrophobicContact CB-CG 4.4Å; V330-R332 HydrophobicContact CG2-CB 4.11Å; V330-R332 HydrophobicContact CG2-CG 3.86Å; V330-R332 PolarHBondContact O-N 3.3Å; V330-I336 HydrophobicContact CG2-CD1 4.3Å; V330-P372 HydrophobicContact CB-CG 4.35Å; V330-P372 HydrophobicContact CG1-CB 3.69Å; V330-P372 HydrophobicContact CG1-CG 3.86Å
331N93.2Very high96.2Very high161 Ų16128 Ų2886%0.86114%0.141SC*.THydrogen-bonded Turntrans53.843.1-179-61.1-53.8000113.5Q327Q327-N331 PolarHBondContact O-N 2.98Å
332R94.4Very high96.2Very high32 Ų3227.9 Ų27.912%0.12114%0.14CC..  trans-113.1172.3178.5-68.3179.256.875.9-6.4111.5Q327 V330 H334 T359 I360 E362 E369Q327-R332 HydrophobicContact CB-CB 4.4Å; Q327-R332 WeakPolarHBondContact CB-O 3.25Å; Q327-R332 PolarHBondContact O-N 3.35Å; V330-R332 VanDerWaalsContact C-N 3.3Å; V330-R332 HydrophobicContact CB-CG 4.4Å; V330-R332 HydrophobicContact CG2-CB 4.11Å; V330-R332 HydrophobicContact CG2-CG 3.86Å; V330-R332 PolarHBondContact O-N 3.3Å; R332-H334 WeakPolarHBondContact CB-O 3.22Å; R332-H334 PolarHBondContact NE-O 2.54Å; R332-T359 PolarHBondContact NH2-OG1 2.72Å; R332-I360 PolarHBondContact NH2-O 3.11Å; R332-E362 IonicContact CZ-OE1 2.91Å; R332-E362 IonicContact NH1-OE2 3.3Å; R332-E362 IonicContact NH2-OE1 3.71Å; R332-E369 IonicContact CZ-OE2 2.73Å; R332-E369 VanDerWaalsContact CZ-OE2 3.26Å; R332-E369 VanDerWaalsContact NH1-CD 3.34Å; R332-E369 IonicContact NH1-OE2 2.74Å; R332-E369 PolarHBondContact NH1-OE2 2.78Å; R332-E369 IonicContact NH2-OE2 3.02Å; R332-E369 PolarHBondContact NH2-OE2 2.76Å
333K93.1Very high96.1Very high150 Ų15030.7 Ų30.765%0.65215%0.153SC*.SBendtrans-93.7-18.2169.7-57.8178.9-178.3174.70113.3Q327 E362Q327-K333 PolarHBondContact NE2-O 3.37Å; Q327-K333 PolarHBondContact OE1-O 3.47Å; K333-E362 VanDerWaalsContact CA-OE1 3.28Å; K333-E362 WeakPolarHBondContact CA-OE1 3.34Å; K333-E362 VanDerWaalsContact CB-OE1 3.29Å; K333-E362 WeakPolarHBondContact CB-OE1 3.41Å; K333-E362 PolarHBondContact N-OE1 3.43Å; K333-E362 PolarHBondContact N-OE2 3.27Å; K333-E362 VanDerWaalsContact N-OE2 3.15Å
334H95Very high96.1Very high48 Ų4832.4 Ų32.422%0.22216%0.161CC..SBendtrans-131.2148.7178.6-51.589.7000111.6Q327 R332 I360 E362Q327-H334 VanDerWaalsContact CB-C 3.49Å; R332-H334 WeakPolarHBondContact CB-O 3.22Å; R332-H334 PolarHBondContact NE-O 2.54Å; H334-I360 HydrophobicContact CB-CB 4.02Å; H334-I360 HydrophobicContact CB-CG1 4.32Å; H334-E362 IonicContact CE1-OE1 2.84Å; H334-E362 IonicContact CG-OE1 2.85Å; H334-E362 PolarHBondContact N-OE1 2.94Å; H334-E362 IonicContact ND1-OE1 2.79Å; H334-E362 PolarHBondContact ND1-OE1 3.49Å
335D96.1Very high96Very high0 Ų032.3 Ų32.30%016%0.161CC..  trans-63.9160.3176.5-62.6-17.7000112.2H190 I324 I325 P326 Q327 Y337 T359H190-D335 IonicContact CE1-OD1 2.76Å; H190-D335 IonicContact CE1-OD2 2.72Å; H190-D335 IonicContact CG-OD2 2.78Å; H190-D335 VanDerWaalsContact ND1-CG 3.3Å; H190-D335 IonicContact ND1-OD1 3.87Å; H190-D335 PolarHBondContact ND1-OD1 2.97Å; H190-D335 VanDerWaalsContact ND1-OD1 3.13Å; H190-D335 IonicContact ND1-OD2 3.21Å; H190-D335 PolarHBondContact ND1-OD2 3.36Å; I324-D335 HydrophobicContact CG2-CB 4.39Å; I325-D335 VanDerWaalsContact O-CA 3.32Å; I325-D335 WeakPolarHBondContact O-CA 3.3Å; I325-D335 WeakPolarHBondContact O-CB 3.23Å; P326-D335 VanDerWaalsContact CA-OD1 3.25Å; P326-D335 WeakPolarHBondContact CA-OD1 3.43Å; Q327-D335 PolarHBondContact N-OD1 3.01Å; D335-Y337 HydrophobicContact CB-CE1 3.98Å; D335-Y337 HydrophobicContact CB-CE2 4.06Å; D335-Y337 PolarHBondContact OD2-OH 3.46Å; D335-T359 WeakPolarHBondContact O-CB 3.46Å; D335-T359 PolarHBondContact O-OG1 2.84Å
336I98Very high96.1Very high0 Ų035 Ų350%018%0.175CC..EExtended strand (participates in β ladder)trans-107.9132.1166.5-57.2164.8000108.4I325 V330 V357 T359 E369 P372I325-I336 HydrophobicContact CB-CB 4.08Å; I325-I336 HydrophobicContact CD1-CB 4.25Å; I325-I336 HydrophobicContact CD1-CG2 4.33Å; I325-I336 HydrophobicContact CG1-CB 4.44Å; I325-I336 PolarHBondContact N-O 3.14Å; I325-I336 PolarHBondContact O-N 3.48Å; V330-I336 HydrophobicContact CG2-CD1 4.3Å; I336-V357 HydrophobicContact CG2-CG1 3.53Å; I336-T359 HydrophobicContact CG1-CG2 4.34Å; I336-E369 VanDerWaalsContact CD1-O 3.27Å; I336-E369 WeakPolarHBondContact CD1-O 3.25Å; I336-P372 HydrophobicContact CD1-CB 3.86Å; I336-P372 HydrophobicContact CD1-CG 3.75Å
337Y98.4Very high96.2Very high13 Ų1334.8 Ų34.85%0.05117%0.174CC..EExtended strand (participates in β ladder)trans-111.5128.2-171.3-67.9-64.3000110.1I324 D335 V357 A358 A410 T412I324-Y337 HydrophobicContact CG1-CD1 4.16Å; I324-Y337 HydrophobicContact CG1-CE1 4.38Å; I324-Y337 HydrophobicContact CG2-CE1 4.32Å; D335-Y337 HydrophobicContact CB-CE1 3.98Å; D335-Y337 HydrophobicContact CB-CE2 4.06Å; D335-Y337 PolarHBondContact OD2-OH 3.46Å; Y337-V357 CarbonylContact O-C 3.27Å; Y337-V357 VanDerWaalsContact O-CA 3.31Å; Y337-V357 WeakPolarHBondContact O-CA 3.32Å; Y337-A358 PolarHBondContact N-O 3.48Å; Y337-A358 PolarHBondContact O-N 3.08Å; Y337-A410 WeakPolarHBondContact CB-O 3.49Å; Y337-A410 HydrophobicContact CD2-CB 3.9Å; Y337-A410 WeakPolarHBondContact CD2-O 3.16Å; Y337-A410 HydrophobicContact CE2-CB 4.24Å; Y337-T412 HydrophobicContact CD1-CG2 4.25Å; Y337-T412 HydrophobicContact CG-CG2 4.3Å
338I98.6Very high96.4Very high0 Ų033.7 Ų33.70%017%0.169CC..EExtended strand (participates in β ladder)trans-121.7129.4175.9-48.7176.7000110I312 Q322 I323 I325 H356 V357 L376 L377I312-I338 HydrophobicContact CD1-CG2 4.42Å; Q322-I338 CarbonylContact C-O 3.52Å; Q322-I338 WeakPolarHBondContact CA-O 3.31Å; I323-I338 HydrophobicContact CB-CB 4.02Å; I323-I338 HydrophobicContact CB-CD1 4.25Å; I323-I338 HydrophobicContact CB-CG1 4.45Å; I323-I338 HydrophobicContact CD1-CD1 4.39Å; I323-I338 PolarHBondContact N-O 2.89Å; I323-I338 PolarHBondContact O-N 3.32Å; I325-I338 HydrophobicContact CD1-CD1 4.24Å; I338-H356 WeakPolarHBondContact CA-O 3.44Å; I338-H356 WeakPolarHBondContact CG2-O 3.13Å; I338-V357 HydrophobicContact CG1-CG1 4.25Å; I338-V357 HydrophobicContact CG1-CG2 4.35Å; I338-L376 HydrophobicContact CD1-CB 4.48Å; I338-L376 HydrophobicContact CD1-CD1 3.96Å; I338-L377 HydrophobicContact CG2-CD2 4.03Å
339T98.5Very high96.6Very high2 Ų231.6 Ų31.61%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-116.9148.6162.561.70000109.3S76 F78 T321 A355 H356 T412S76-T339 VanDerWaalsContact CB-OG1 3.24Å; S76-T339 WeakPolarHBondContact CB-OG1 3.37Å; S76-T339 WeakPolarHBondContact OG-CB 3.23Å; S76-T339 PolarHBondContact OG-OG1 3.08Å; F78-T339 HydrophobicContact CD2-CG2 4.1Å; F78-T339 HydrophobicContact CE2-CG2 3.71Å; F78-T339 HydrophobicContact CZ-CG2 4.01Å; T321-T339 CarbonylContact O-C 3.55Å; T321-T339 WeakPolarHBondContact O-CA 3.44Å; T339-A355 CarbonylContact O-C 3.6Å; T339-A355 WeakPolarHBondContact O-CA 3.2Å; T339-H356 PolarHBondContact N-O 2.89Å; T339-H356 VanDerWaalsContact N-O 3.07Å; T339-H356 PolarHBondContact O-N 2.8Å; T339-T412 HydrophobicContact CG2-CG2 3.38Å
340C98.5Very high96.7Very high2 Ų235.2 Ų35.21%0.01417%0.171CC..EExtended strand (participates in β ladder)trans-141.5135.6170.6-179.90000109.9I312 S320 T321 V354 A355I312-C340 HydrophobicContact CD1-CB 3.55Å; I312-C340 HydrophobicContact CG1-CB 4.49Å; S320-C340 CarbonylContact C-O 3.54Å; S320-C340 WeakPolarHBondContact CA-O 3.38Å; S320-C340 WeakPolarHBondContact CB-O 3.33Å; T321-C340 HydrophobicContact CG2-CB 3.74Å; T321-C340 PolarHBondContact N-O 2.82Å; T321-C340 PolarHBondContact O-N 2.92Å; C340-V354 WeakPolarHBondContact CA-O 3.49Å; C340-A355 HydrophobicContact CB-CB 4.13Å
341V98.3Very high96.7Very high1 Ų139.5 Ų39.51%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-134.2165.2176.5-67.80000109.5F78 Y230 T347 F353 V354F78-V341 HydrophobicContact CE1-CG1 3.83Å; F78-V341 HydrophobicContact CZ-CG1 4.1Å; Y230-V341 HydrophobicContact CD1-CG1 4.28Å; Y230-V341 HydrophobicContact CD2-CG1 4.47Å; Y230-V341 HydrophobicContact CE1-CG1 4.22Å; Y230-V341 HydrophobicContact CE2-CG1 4.37Å; Y230-V341 HydrophobicContact CG-CG1 4.37Å; V341-T347 HydrophobicContact CB-CG2 4.47Å; V341-T347 HydrophobicContact CG2-CG2 3.98Å; V341-T347 WeakPolarHBondContact CG2-OG1 3.33Å; V341-F353 WeakPolarHBondContact O-CA 3.22Å; V341-V354 HydrophobicContact CG2-CB 4.17Å; V341-V354 PolarHBondContact N-O 3.13Å; V341-V354 PolarHBondContact O-N 2.96Å
342S97.6Very high96.9Very high0 Ų032.5 Ų32.50%016%0.155CC..EExtended strand (participates in β ladder)trans-148.3-171.7-176.667.50000111.1L319 Q344 H345 T347L319-S342 VanDerWaalsContact O-CB 3.3Å; L319-S342 WeakPolarHBondContact O-CB 3.15Å; L319-S342 PolarHBondContact O-OG 3.35Å; S342-Q344 PolarHBondContact O-N 2.86Å; S342-H345 PolarHBondContact O-N 2.92Å; S342-T347 PolarHBondContact O-OG1 3.47Å
343H96.9Very high97.1Very high59 Ų5931.4 Ų31.427%0.27315%0.151SC..G310 helixtrans-46.2-26.2172.674.9-78.3000115.3H345 N346 C348 E350H343-H345 PolarHBondContact O-N 3.23Å; H343-H345 VanDerWaalsContact O-N 3.1Å; H343-N346 PolarHBondContact O-N 2.97Å; H343-N346 PolarHBondContact O-OD1 3.34Å; H343-C348 WeakPolarHBondContact CA-O 3.32Å; H343-C348 WeakPolarHBondContact CB-O 3.35Å; H343-E350 HydrophobicContact CB-CG 4.18Å
344Q96Very high97.4Very high35 Ų3524.4 Ų24.416%0.16412%0.121CC..G310 helixtrans-57-27.1175.3-171.1-179.240.700112.8R101 E104 L319 S342R101-Q344 VanDerWaalsContact CD-O 3.22Å; R101-Q344 WeakPolarHBondContact CD-O 3.24Å; R101-Q344 PolarHBondContact NH1-O 2.94Å; R101-Q344 VanDerWaalsContact NH1-O 3.12Å; E104-Q344 PolarHBondContact OE1-NE2 2.99Å; L319-Q344 HydrophobicContact CB-CB 4.48Å; S342-Q344 PolarHBondContact O-N 2.86Å
345H97.3Very high97.6Very high0 Ų022.1 Ų22.10%011%0.11CC..G310 helixtrans-1066.5179.4-6081000112.9Y230 L232 Y233 S320 S342 H343 T347Y230-H345 HydrophobicContact CD1-CB 3.84Å; Y230-H345 AromaticContact CD1-CD2 3.58Å; Y230-H345 AromaticContact CD1-CG 3.85Å; Y230-H345 HydrophobicContact CE1-CB 4.03Å; L232-H345 WeakPolarHBondContact CA-O 3.37Å; Y233-H345 PolarHBondContact N-O 3.06Å; S320-H345 WeakPolarHBondContact CB-CE1 3.46Å; S320-H345 PolarHBondContact OG-CE1 2.75Å; S320-H345 VanDerWaalsContact OG-CE1 3.24Å; S342-H345 PolarHBondContact O-N 2.92Å; H343-H345 PolarHBondContact O-N 3.23Å; H343-H345 VanDerWaalsContact O-N 3.1Å; H345-T347 HydrophobicContact CB-CG2 4Å; H345-T347 PolarHBondContact O-N 3Å
346N97.6Very high97.7Very high57 Ų5722.7 Ų22.731%0.30511%0.113SC..THydrogen-bonded Turntrans56.829.6-174.3-55.4-17.1000114N71 Y233 H343N71-N346 PolarHBondContact ND2-O 3.22Å; Y233-N346 HydrophobicContact CD1-CB 3.53Å; Y233-N346 HydrophobicContact CE1-CB 3.58Å; Y233-N346 WeakPolarHBondContact CE1-ND2 3.45Å; Y233-N346 HydrophobicContact CG-CB 4.29Å; Y233-N346 PolarHBondContact OH-ND2 2.97Å; H343-N346 PolarHBondContact O-N 2.97Å; H343-N346 PolarHBondContact O-OD1 3.34Å
347T97.5Very high97.7Very high1 Ų122.7 Ų22.71%0.00611%0.113CC..SBendtrans-90.4-19.8178.153.50000113.2W70 N71 Y230 V341 S342 H345W70-T347 CarbonylContact C-O 3.59Å; W70-T347 WeakPolarHBondContact CA-O 3.32Å; N71-T347 CarbonylContact C-O 3.42Å; N71-T347 PolarHBondContact N-O 3.05Å; N71-T347 WeakPolarHBondContact O-CB 3.29Å; Y230-T347 HydrophobicContact CE1-CG2 3.51Å; Y230-T347 WeakPolarHBondContact OH-CG2 3.43Å; V341-T347 HydrophobicContact CB-CG2 4.47Å; V341-T347 HydrophobicContact CG2-CG2 3.98Å; V341-T347 WeakPolarHBondContact CG2-OG1 3.33Å; S342-T347 PolarHBondContact O-OG1 3.47Å; H345-T347 HydrophobicContact CB-CG2 4Å; H345-T347 PolarHBondContact O-N 3Å
348C98.2Very high97.8Very high4 Ų422.3 Ų22.33%0.02711%0.113CC..SBendtrans-157.4166.8174.362.10000110.2D69 W70 H343 F352 V354D69-C348 CarbonylContact O-C 3.52Å; D69-C348 VanDerWaalsContact O-C 3.29Å; D69-C348 VanDerWaalsContact O-CA 3.22Å; D69-C348 WeakPolarHBondContact O-CA 2.99Å; W70-C348 HydrophobicContact CD2-CB 3.97Å; W70-C348 HydrophobicContact CE3-CB 3.48Å; W70-C348 VanDerWaalsContact CE3-CB 3.48Å; W70-C348 HydrophobicContact CH2-CB 4.02Å; W70-C348 HydrophobicContact CZ2-CB 4.44Å; W70-C348 HydrophobicContact CZ3-CB 3.53Å; H343-C348 WeakPolarHBondContact CA-O 3.32Å; H343-C348 WeakPolarHBondContact CB-O 3.35Å; C348-F352 HydrophobicContact CB-CB 4.04Å; C348-F352 PolarHBondContact SG-O 3.25Å; C348-V354 HydrophobicContact CB-CG2 4.01Å
349P97.5Very high97.7Very high13 Ų1322.3 Ų22.38%0.08411%0.113CC..  trans-62.5166.1173.9-18.229.1000113.3H65 D69 W70 F352H65-P349 HydrophobicContact CB-CG 4.22Å; D69-P349 HydrophobicContact CB-CG 3.86Å; W70-P349 HydrophobicContact CZ2-CG 4.21Å; W70-P349 VanDerWaalsContact NE1-CD 3.31Å; P349-F352 HydrophobicContact CB-CD2 4.11Å; P349-F352 HydrophobicContact CG-CD2 4.32Å; P349-F352 PolarHBondContact O-N 2.61Å
350E95.6Very high97.7Very high132 Ų13223 Ų2362%0.61712%0.116SC*.THydrogen-bonded Turntrans-53.6149.8169.7-70.7-175.3-178.200111.7H343 F352H343-E350 HydrophobicContact CB-CG 4.18Å; E350-F352 PolarHBondContact O-N 3.34Å; E350-F352 VanDerWaalsContact O-N 3.16Å
351N95.1Very high97.7Very high119 Ų11923.9 Ų23.964%0.63612%0.121SC*.THydrogen-bonded Turntrans66.8-6.8-173.4-51.1-51.5000116T309T309-N351 CarbonylContact C-O 3.56Å; T309-N351 VanDerWaalsContact C-O 3.26Å; T309-N351 VanDerWaalsContact CA-O 3.26Å; T309-N351 WeakPolarHBondContact CA-O 3.46Å
352F98Very high97.6Very high14 Ų1427 Ų276%0.06114%0.136CC..  trans-98.2152.8170.1-69.1-82.6000111.9Y64 H65 W70 I307 L308 T309 C348 P349 E350Y64-F352 HydrophobicContact CD1-CD1 4.45Å; Y64-F352 AromaticContact CD1-CE1 3.72Å; Y64-F352 HydrophobicContact CD1-CE1 3.72Å; Y64-F352 HydrophobicContact CD1-CZ 4.08Å; Y64-F352 HydrophobicContact CE1-CE1 4.14Å; H65-F352 AromaticContact CE1-CE2 3.96Å; W70-F352 HydrophobicContact CH2-CB 3.77Å; W70-F352 AromaticContact CH2-CD1 3.64Å; W70-F352 HydrophobicContact CH2-CD1 3.64Å; W70-F352 HydrophobicContact CH2-CD2 4.33Å; W70-F352 HydrophobicContact CH2-CE1 4.29Å; W70-F352 AromaticContact CH2-CG 3.65Å; W70-F352 HydrophobicContact CH2-CG 3.65Å; W70-F352 HydrophobicContact CZ2-CB 4.21Å; W70-F352 AromaticContact CZ2-CD1 3.96Å; W70-F352 HydrophobicContact CZ2-CD1 3.96Å; W70-F352 AromaticContact CZ2-CD2 3.99Å; W70-F352 HydrophobicContact CZ2-CD2 3.99Å; W70-F352 HydrophobicContact CZ2-CE1 4.31Å; W70-F352 HydrophobicContact CZ2-CE2 4.33Å; W70-F352 AromaticContact CZ2-CG 3.78Å; W70-F352 HydrophobicContact CZ2-CG 3.78Å; W70-F352 HydrophobicContact CZ2-CZ 4.48Å; W70-F352 HydrophobicContact CZ3-CB 4.5Å; I307-F352 HydrophobicContact CG2-CD1 3.79Å; I307-F352 HydrophobicContact CG2-CE1 4.27Å; L308-F352 CarbonylContact O-C 3.58Å; L308-F352 WeakPolarHBondContact O-CA 3.34Å; T309-F352 HydrophobicContact CG2-CD1 3.96Å; T309-F352 HydrophobicContact CG2-CE1 3.67Å; T309-F352 HydrophobicContact CG2-CZ 4.48Å; C348-F352 HydrophobicContact CB-CB 4.04Å; C348-F352 PolarHBondContact SG-O 3.25Å; P349-F352 HydrophobicContact CB-CD2 4.11Å; P349-F352 HydrophobicContact CG-CD2 4.32Å; P349-F352 PolarHBondContact O-N 2.61Å; E350-F352 PolarHBondContact O-N 3.34Å; E350-F352 VanDerWaalsContact O-N 3.16Å
353F98.3Very high97.6Very high10 Ų1030.5 Ų30.54%0.04416%0.157CC..EExtended strand (participates in β ladder)trans-134.7145.6170.7-60.2-104.1000108.7L308 H310 P311 L319 V341L308-F353 HydrophobicContact CB-CB 4.16Å; L308-F353 PolarHBondContact N-O 3.4Å; L308-F353 PolarHBondContact O-N 2.84Å; H310-F353 VanDerWaalsContact C-CD2 3.42Å; H310-F353 VanDerWaalsContact O-CD2 3.26Å; H310-F353 WeakPolarHBondContact O-CD2 3.38Å; P311-F353 HydrophobicContact CB-CE1 4.05Å; P311-F353 HydrophobicContact CB-CE2 4.37Å; P311-F353 HydrophobicContact CB-CZ 3.81Å; P311-F353 HydrophobicContact CG-CZ 4.41Å; L319-F353 HydrophobicContact CD2-CE1 3.85Å; L319-F353 HydrophobicContact CD2-CZ 3.82Å; V341-F353 WeakPolarHBondContact O-CA 3.22Å
354V98.6Very high97.6Very high2 Ų233.4 Ų33.41%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-113.7113.5173.4-179.70000106.7W70 V72 I305 C340 V341 C348W70-V354 HydrophobicContact CE3-CG2 4.3Å; W70-V354 HydrophobicContact CZ3-CG2 3.94Å; V72-V354 HydrophobicContact CG1-CG1 3.93Å; V72-V354 HydrophobicContact CG2-CG1 4.5Å; V72-V354 HydrophobicContact CG2-CG2 4.08Å; I305-V354 HydrophobicContact CG2-CG1 4.21Å; C340-V354 WeakPolarHBondContact CA-O 3.49Å; V341-V354 HydrophobicContact CG2-CB 4.17Å; V341-V354 PolarHBondContact N-O 3.13Å; V341-V354 PolarHBondContact O-N 2.96Å; C348-V354 HydrophobicContact CB-CG2 4.01Å
355A98.7Very high97.7Very high0 Ų034.1 Ų34.10%019%0.193CC..EExtended strand (participates in β ladder)trans-111.3140.8176.200000110.7C306 L308 T339 C340 L377C306-A355 WeakPolarHBondContact CA-O 3.5Å; C306-A355 HydrophobicContact CB-CB 4.28Å; C306-A355 WeakPolarHBondContact CB-O 3.48Å; C306-A355 PolarHBondContact N-O 2.97Å; C306-A355 PolarHBondContact O-N 3.38Å; L308-A355 HydrophobicContact CD1-CB 4.07Å; T339-A355 CarbonylContact O-C 3.6Å; T339-A355 WeakPolarHBondContact O-CA 3.2Å; C340-A355 HydrophobicContact CB-CB 4.13Å; A355-L377 HydrophobicContact CB-CD1 3.95Å; A355-L377 HydrophobicContact CB-CD2 3.94Å
356H98.8Very high97.7Very high12 Ų1235.4 Ų35.46%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-113.7139.3171.9-63.566.5000108.8D73 S76 A304 I338 T339D73-H356 PolarHBondContact O-CE1 3.08Å; D73-H356 PolarHBondContact O-NE2 2.99Å; S76-H356 WeakPolarHBondContact CB-ND1 3.26Å; A304-H356 CarbonylContact O-C 3.44Å; A304-H356 VanDerWaalsContact O-CA 3.23Å; A304-H356 WeakPolarHBondContact O-CA 3.36Å; I338-H356 WeakPolarHBondContact CA-O 3.44Å; I338-H356 WeakPolarHBondContact CG2-O 3.13Å; T339-H356 PolarHBondContact N-O 2.89Å; T339-H356 VanDerWaalsContact N-O 3.07Å; T339-H356 PolarHBondContact O-N 2.8Å
357V98.9Very high97.8Very high0 Ų037.7 Ų37.70%021%0.211CC..EExtended strand (participates in β ladder)trans-123.8126.5169.3-167.50000107.6R303 A304 I336 Y337 I338 L370 L374 L377R303-V357 CarbonylContact C-O 3.58Å; R303-V357 WeakPolarHBondContact CA-O 3.44Å; A304-V357 HydrophobicContact CB-CB 4.41Å; A304-V357 PolarHBondContact N-O 3.48Å; A304-V357 PolarHBondContact O-N 3.32Å; I336-V357 HydrophobicContact CG2-CG1 3.53Å; Y337-V357 CarbonylContact O-C 3.27Å; Y337-V357 VanDerWaalsContact O-CA 3.31Å; Y337-V357 WeakPolarHBondContact O-CA 3.32Å; I338-V357 HydrophobicContact CG1-CG1 4.25Å; I338-V357 HydrophobicContact CG1-CG2 4.35Å; V357-L370 HydrophobicContact CB-CD2 4.41Å; V357-L370 HydrophobicContact CG1-CB 4.16Å; V357-L370 HydrophobicContact CG1-CD2 3.91Å; V357-L374 HydrophobicContact CB-CD2 4.4Å; V357-L374 HydrophobicContact CG2-CD2 3.89Å; V357-L374 HydrophobicContact CG2-CG 4.46Å; V357-L377 HydrophobicContact CG2-CD1 3.81Å; V357-L377 HydrophobicContact CG2-CG 4.48Å
358A98.7Very high97.8Very high6 Ų644.3 Ų44.35%0.0524%0.239CC..EExtended strand (participates in β ladder)trans-142.4149.6-178.100000112.8V301 V302 R303 Y337 A410V301-A358 HydrophobicContact CG1-CB 4.46Å; V302-A358 VanDerWaalsContact O-CA 3.28Å; V302-A358 WeakPolarHBondContact O-CA 3.49Å; R303-A358 HydrophobicContact CB-CB 4.46Å; R303-A358 HydrophobicContact CG-CB 4.03Å; Y337-A358 PolarHBondContact N-O 3.48Å; Y337-A358 PolarHBondContact O-N 3.08Å; A358-A410 HydrophobicContact CB-CB 4.24Å
359T98.1Very high97.8Very high0 Ų044.7 Ų44.70%024%0.24CC..EExtended strand (participates in β ladder)trans-158.5164.3172.8-168.30000110.5V301 V302 R332 D335 I336 E369 L370V301-T359 WeakPolarHBondContact CA-O 3.36Å; V302-T359 HydrophobicContact CG1-CG2 3.75Å; V302-T359 PolarHBondContact N-O 2.84Å; V302-T359 PolarHBondContact O-N 2.87Å; V302-T359 VanDerWaalsContact O-N 3.12Å; R332-T359 PolarHBondContact NH2-OG1 2.72Å; D335-T359 WeakPolarHBondContact O-CB 3.46Å; D335-T359 PolarHBondContact O-OG1 2.84Å; I336-T359 HydrophobicContact CG1-CG2 4.34Å; T359-E369 HydrophobicContact CG2-CB 4.1Å; T359-L370 HydrophobicContact CG2-CD2 3.76Å
360I97.7Very high97.8Very high16 Ų1644 Ų448%0.08224%0.236CC..EExtended strand (participates in β ladder)trans-71.7137.7170.6-61.4-71.7000108.9D299 Q300 V301 R332 H334 E362 L390D299-I360 HydrophobicContact CB-CD1 4.47Å; D299-I360 HydrophobicContact CB-CG2 4.48Å; D299-I360 WeakPolarHBondContact OD1-CG2 3.43Å; Q300-I360 CarbonylContact O-C 3.57Å; Q300-I360 WeakPolarHBondContact O-CA 3.43Å; V301-I360 HydrophobicContact CG2-CD1 3.71Å; R332-I360 PolarHBondContact NH2-O 3.11Å; H334-I360 HydrophobicContact CB-CB 4.02Å; H334-I360 HydrophobicContact CB-CG1 4.32Å; I360-E362 PolarHBondContact O-N 2.73Å; I360-L390 HydrophobicContact CD1-CD1 3.81Å
361V98.4Very high98Very high21 Ų2141.8 Ų41.813%0.12723%0.226CC..  trans-73.6125.4-178.91790000110.4Q300 V302 T363 P366 V387Q300-V361 HydrophobicContact CB-CB 3.93Å; Q300-V361 HydrophobicContact CB-CG2 3.75Å; Q300-V361 PolarHBondContact O-N 3.32Å; V302-V361 HydrophobicContact CB-CG2 3.92Å; V302-V361 HydrophobicContact CG1-CG2 4.04Å; V361-T363 VanDerWaalsContact CG1-O 3.31Å; V361-T363 WeakPolarHBondContact CG1-O 3.3Å; V361-P366 HydrophobicContact CG1-CB 4.08Å; V361-P366 HydrophobicContact CG1-CG 3.76Å; V361-P366 HydrophobicContact CG2-CB 3.96Å; V361-P366 HydrophobicContact CG2-CG 4.31Å; V361-V387 HydrophobicContact CG2-CG1 4.24Å
362E96.9Very high98.1Very high65 Ų6538 Ų3830%0.30421%0.208SC..  trans-112.8-15.7178.5-67.5179.4-167.200113.4R332 K333 H334 I360 E369R332-E362 IonicContact CZ-OE1 2.91Å; R332-E362 IonicContact NH1-OE2 3.3Å; R332-E362 IonicContact NH2-OE1 3.71Å; K333-E362 VanDerWaalsContact CA-OE1 3.28Å; K333-E362 WeakPolarHBondContact CA-OE1 3.34Å; K333-E362 VanDerWaalsContact CB-OE1 3.29Å; K333-E362 WeakPolarHBondContact CB-OE1 3.41Å; K333-E362 PolarHBondContact N-OE1 3.43Å; K333-E362 PolarHBondContact N-OE2 3.27Å; K333-E362 VanDerWaalsContact N-OE2 3.15Å; H334-E362 IonicContact CE1-OE1 2.84Å; H334-E362 IonicContact CG-OE1 2.85Å; H334-E362 PolarHBondContact N-OE1 2.94Å; H334-E362 IonicContact ND1-OE1 2.79Å; H334-E362 PolarHBondContact ND1-OE1 3.49Å; I360-E362 PolarHBondContact O-N 2.73Å; E362-E369 PolarHBondContact N-OE1 2.99Å; E362-E369 VanDerWaalsContact N-OE1 3.13Å; E362-E369 PolarHBondContact N-OE2 2.87Å
363T97.4Very high98.1Very high74 Ų7437.4 Ų37.445%0.45421%0.205SC..SBendtrans-136173-170.179.10000112.3V361 S365 E369V361-T363 VanDerWaalsContact CG1-O 3.31Å; V361-T363 WeakPolarHBondContact CG1-O 3.3Å; T363-S365 PolarHBondContact O-N 2.89Å; T363-S365 PolarHBondContact OG1-N 3.11Å; T363-E369 WeakPolarHBondContact CA-OE1 3.29Å; T363-E369 VanDerWaalsContact CB-OE1 3.24Å; T363-E369 WeakPolarHBondContact CB-OE1 3.42Å; T363-E369 WeakPolarHBondContact CG2-OE1 3.5Å; T363-E369 PolarHBondContact N-OE1 3.14Å; T363-E369 PolarHBondContact OG1-OE1 3.33Å
364S97.4Very high98.1Very high121 Ų12137.8 Ų37.885%0.84621%0.208SC*.SBendtrans-78.74.7174.358.60000114.2
365S97.5Very high98.1Very high49 Ų4944.7 Ų44.734%0.34324%0.237SC..  trans-127.667177-65.10000111.1T363 E367 K368T363-S365 PolarHBondContact O-N 2.89Å; T363-S365 PolarHBondContact OG1-N 3.11Å; S365-E367 VanDerWaalsContact C-N 3.33Å; S365-E367 PolarHBondContact O-N 3.06Å; S365-K368 WeakPolarHBondContact O-CB 3.45Å; S365-K368 PolarHBondContact O-N 3.4Å; S365-K368 VanDerWaalsContact O-N 3.08Å
366P98.1Very high98Very high28 Ų2846.2 Ų46.218%0.18225%0.245CC..Hα-helixtrans-56.5-41.5-168-25.234.8000113.9V302 V361 K368 E369 V387V302-P366 HydrophobicContact CB-CB 3.75Å; V302-P366 HydrophobicContact CG1-CB 4.13Å; V302-P366 HydrophobicContact CG2-CB 3.81Å; V361-P366 HydrophobicContact CG1-CB 4.08Å; V361-P366 HydrophobicContact CG1-CG 3.76Å; V361-P366 HydrophobicContact CG2-CB 3.96Å; V361-P366 HydrophobicContact CG2-CG 4.31Å; P366-K368 PolarHBondContact O-N 3.24Å; P366-E369 VanDerWaalsContact O-CB 3.24Å; P366-E369 WeakPolarHBondContact O-CB 3.23Å; P366-E369 PolarHBondContact O-N 3.09Å; P366-V387 HydrophobicContact CB-CG2 3.86Å; P366-V387 HydrophobicContact CG-CG2 4.12Å
367E98Very high98Very high105 Ų10545.6 Ų45.649%0.49124%0.243SC..Hα-helixtrans-59.4-35.2-178.9-62.5176.5-173.700112.7S365 E369 L370 Y385S365-E367 VanDerWaalsContact C-N 3.33Å; S365-E367 PolarHBondContact O-N 3.06Å; E367-E369 PolarHBondContact O-N 3.02Å; E367-L370 PolarHBondContact O-N 2.62Å; E367-Y385 HydrophobicContact CB-CD1 4.19Å; E367-Y385 HydrophobicContact CB-CE1 4.2Å; E367-Y385 HydrophobicContact CG-CD1 3.86Å; E367-Y385 HydrophobicContact CG-CD2 4.3Å; E367-Y385 HydrophobicContact CG-CE1 4.35Å; E367-Y385 HydrophobicContact CG-CG 3.82Å
368K97.9Very high97.8Very high139 Ų13947.9 Ų47.960%0.60427%0.266SS*.Hα-helixtrans-68.4-24178.4-66.5-174.7178.9174.70112.5S365 P366 L370 E371S365-K368 WeakPolarHBondContact O-CB 3.45Å; S365-K368 PolarHBondContact O-N 3.4Å; S365-K368 VanDerWaalsContact O-N 3.08Å; P366-K368 PolarHBondContact O-N 3.24Å; K368-L370 PolarHBondContact O-N 2.94Å; K368-E371 WeakPolarHBondContact O-CB 3.29Å; K368-E371 WeakPolarHBondContact O-CG 3.36Å; K368-E371 PolarHBondContact O-N 2.92Å; K368-E371 VanDerWaalsContact O-N 3.16Å
369E98.4Very high97.8Very high12 Ų1252.6 Ų52.66%0.05629%0.294CS..Hα-helixtrans-67-22177.5-59-176.4-156.900112.1R332 I336 T359 E362 T363 P366 E367 E371 P372R332-E369 IonicContact CZ-OE2 2.73Å; R332-E369 VanDerWaalsContact CZ-OE2 3.26Å; R332-E369 VanDerWaalsContact NH1-CD 3.34Å; R332-E369 IonicContact NH1-OE2 2.74Å; R332-E369 PolarHBondContact NH1-OE2 2.78Å; R332-E369 IonicContact NH2-OE2 3.02Å; R332-E369 PolarHBondContact NH2-OE2 2.76Å; I336-E369 VanDerWaalsContact CD1-O 3.27Å; I336-E369 WeakPolarHBondContact CD1-O 3.25Å; T359-E369 HydrophobicContact CG2-CB 4.1Å; E362-E369 PolarHBondContact N-OE1 2.99Å; E362-E369 VanDerWaalsContact N-OE1 3.13Å; E362-E369 PolarHBondContact N-OE2 2.87Å; T363-E369 WeakPolarHBondContact CA-OE1 3.29Å; T363-E369 VanDerWaalsContact CB-OE1 3.24Å; T363-E369 WeakPolarHBondContact CB-OE1 3.42Å; T363-E369 WeakPolarHBondContact CG2-OE1 3.5Å; T363-E369 PolarHBondContact N-OE1 3.14Å; T363-E369 PolarHBondContact OG1-OE1 3.33Å; P366-E369 VanDerWaalsContact O-CB 3.24Å; P366-E369 WeakPolarHBondContact O-CB 3.23Å; P366-E369 PolarHBondContact O-N 3.09Å; E367-E369 PolarHBondContact O-N 3.02Å; E369-E371 VanDerWaalsContact C-N 3.35Å; E369-P372 WeakPolarHBondContact O-CD 3.37Å
370L98.6Very high97.8Very high0 Ų055 Ų550%031%0.307CS..THydrogen-bonded Turntrans-82.4-10.4176.4-58.7-176.9000113.3V302 A304 V357 T359 E367 K368 P372 G373 L374 Y385V302-L370 HydrophobicContact CG1-CD1 4.48Å; V302-L370 HydrophobicContact CG1-CD2 3.99Å; V302-L370 HydrophobicContact CG1-CG 4.08Å; V302-L370 HydrophobicContact CG2-CD1 3.87Å; V302-L370 HydrophobicContact CG2-CG 4.23Å; A304-L370 HydrophobicContact CB-CD1 3.55Å; V357-L370 HydrophobicContact CB-CD2 4.41Å; V357-L370 HydrophobicContact CG1-CB 4.16Å; V357-L370 HydrophobicContact CG1-CD2 3.91Å; T359-L370 HydrophobicContact CG2-CD2 3.76Å; E367-L370 PolarHBondContact O-N 2.62Å; K368-L370 PolarHBondContact O-N 2.94Å; L370-P372 VanDerWaalsContact C-CD 3.41Å; L370-P372 VanDerWaalsContact C-N 3.34Å; L370-G373 PolarHBondContact O-N 3.43Å; L370-L374 HydrophobicContact CB-CD1 3.91Å; L370-L374 HydrophobicContact CB-CG 4.1Å; L370-L374 WeakPolarHBondContact O-CG 3.24Å; L370-L374 PolarHBondContact O-N 2.97Å; L370-Y385 HydrophobicContact CD1-CD1 4.18Å; L370-Y385 HydrophobicContact CD1-CE1 4.17Å
371E98.2Very high97.8Very high85 Ų8557.4 Ų57.440%0.39732%0.318SS..Hα-helixtrans-49.8-43.7-176.9-82.6-172-154.900114.5K368 E369 G373 L374 K375K368-E371 WeakPolarHBondContact O-CB 3.29Å; K368-E371 WeakPolarHBondContact O-CG 3.36Å; K368-E371 PolarHBondContact O-N 2.92Å; K368-E371 VanDerWaalsContact O-N 3.16Å; E369-E371 VanDerWaalsContact C-N 3.35Å; E371-G373 VanDerWaalsContact C-N 3.28Å; E371-G373 PolarHBondContact O-N 2.81Å; E371-L374 PolarHBondContact O-N 2.92Å; E371-K375 WeakPolarHBondContact O-CB 3.38Å; E371-K375 VanDerWaalsContact O-CG 3.26Å; E371-K375 WeakPolarHBondContact O-CG 3.29Å; E371-K375 PolarHBondContact O-N 3.48Å; E371-K375 IonicContact OE2-NZ 2.96Å; E371-K375 PolarHBondContact OE2-NZ 3.01Å
372P97.8Very high97.8Very high40 Ų4058.3 Ų58.326%0.2632%0.32SS..Hα-helixtrans-58.7-40.3178.1-24.235.1000112.5I325 V330 I336 E369 L370I325-P372 HydrophobicContact CD1-CB 4.25Å; V330-P372 HydrophobicContact CB-CG 4.35Å; V330-P372 HydrophobicContact CG1-CB 3.69Å; V330-P372 HydrophobicContact CG1-CG 3.86Å; I336-P372 HydrophobicContact CD1-CB 3.86Å; I336-P372 HydrophobicContact CD1-CG 3.75Å; E369-P372 WeakPolarHBondContact O-CD 3.37Å; L370-P372 VanDerWaalsContact C-CD 3.41Å; L370-P372 VanDerWaalsContact C-N 3.34Å
373G98.2Very high97.8Very high0 Ų057.1 Ų57.10%032%0.317CS..Hα-helixtrans-75.1-42.3177.600000113.1L370 E371 K375 L376L370-G373 PolarHBondContact O-N 3.43Å; E371-G373 VanDerWaalsContact C-N 3.28Å; E371-G373 PolarHBondContact O-N 2.81Å; G373-K375 VanDerWaalsContact C-N 3.29Å; G373-K375 PolarHBondContact O-N 2.59Å; G373-L376 WeakPolarHBondContact O-CB 3.35Å; G373-L376 PolarHBondContact O-N 2.78Å; G373-L376 VanDerWaalsContact O-N 3.14Å
374L98.5Very high97.9Very high19 Ų1953.7 Ų53.710%0.09930%0.296CS..Hα-helixtrans-61.2-37177.9-65.4171.4000112.1A304 C306 V357 L370 E371 L376 L377 I380 Y385A304-L374 HydrophobicContact CB-CD2 4.05Å; C306-L374 VanDerWaalsContact SG-CD2 3.52Å; V357-L374 HydrophobicContact CB-CD2 4.4Å; V357-L374 HydrophobicContact CG2-CD2 3.89Å; V357-L374 HydrophobicContact CG2-CG 4.46Å; L370-L374 HydrophobicContact CB-CD1 3.91Å; L370-L374 HydrophobicContact CB-CG 4.1Å; L370-L374 WeakPolarHBondContact O-CG 3.24Å; L370-L374 PolarHBondContact O-N 2.97Å; E371-L374 PolarHBondContact O-N 2.92Å; L374-L376 VanDerWaalsContact C-N 3.26Å; L374-L376 PolarHBondContact O-N 2.81Å; L374-L377 HydrophobicContact CD2-CD1 4.26Å; L374-L377 WeakPolarHBondContact O-CB 2.98Å; L374-L377 PolarHBondContact O-N 3.39Å; L374-L377 VanDerWaalsContact O-N 3.09Å; L374-I380 HydrophobicContact CB-CD1 4.24Å; L374-I380 HydrophobicContact CD2-CD1 3.88Å; L374-Y385 HydrophobicContact CD1-CE1 4.13Å; L374-Y385 WeakPolarHBondContact CD1-OH 3.47Å
375K97.6Very high97.9Very high146 Ų14651.4 Ų51.464%0.63527%0.27SS*.Hα-helixtrans-60.9-32.7176.4-78.7167.3-176153.50112.9E371 G373 L377E371-K375 WeakPolarHBondContact O-CB 3.38Å; E371-K375 VanDerWaalsContact O-CG 3.26Å; E371-K375 WeakPolarHBondContact O-CG 3.29Å; E371-K375 PolarHBondContact O-N 3.48Å; E371-K375 IonicContact OE2-NZ 2.96Å; E371-K375 PolarHBondContact OE2-NZ 3.01Å; G373-K375 VanDerWaalsContact C-N 3.29Å; G373-K375 PolarHBondContact O-N 2.59Å; K375-L377 VanDerWaalsContact C-N 3.26Å; K375-L377 PolarHBondContact O-N 2.95Å
376L97.5Very high97.9Very high32 Ų3250.2 Ų50.217%0.16826%0.261CS..Hα-helixtrans-69.7-24.8177.2-62.3179000112.6Y109 V114 I312 I323 I325 I338 G373 L374 G378Y109-L376 HydrophobicContact CD2-CD1 3.91Å; Y109-L376 HydrophobicContact CD2-CD2 3.95Å; Y109-L376 HydrophobicContact CD2-CG 4.5Å; Y109-L376 HydrophobicContact CE2-CD2 3.94Å; V114-L376 HydrophobicContact CG2-CD1 3.89Å; V114-L376 HydrophobicContact CG2-CD2 3.98Å; V114-L376 HydrophobicContact CG2-CG 4.49Å; I312-L376 WeakPolarHBondContact CG2-O 3.25Å; I323-L376 HydrophobicContact CG2-CD1 4.45Å; I325-L376 HydrophobicContact CD1-CD1 3.85Å; I325-L376 HydrophobicContact CG1-CD1 4.32Å; I338-L376 HydrophobicContact CD1-CB 4.48Å; I338-L376 HydrophobicContact CD1-CD1 3.96Å; G373-L376 WeakPolarHBondContact O-CB 3.35Å; G373-L376 PolarHBondContact O-N 2.78Å; G373-L376 VanDerWaalsContact O-N 3.14Å; L374-L376 VanDerWaalsContact C-N 3.26Å; L374-L376 PolarHBondContact O-N 2.81Å; L376-G378 VanDerWaalsContact C-N 3.27Å; L376-G378 PolarHBondContact O-N 2.81Å
377L97.8Very high97.9Very high0 Ų052 Ų520%027%0.272CS..THydrogen-bonded Turntrans-74.9-14.2-176.4-55.3-174.2000113.5C306 L308 H310 I312 I338 A355 V357 L374 K375 I380C306-L377 HydrophobicContact CB-CD1 3.79Å; L308-L377 HydrophobicContact CD1-CB 4.16Å; L308-L377 HydrophobicContact CD1-CD2 4.41Å; L308-L377 HydrophobicContact CD2-CB 4.05Å; L308-L377 HydrophobicContact CD2-CD1 4.47Å; H310-L377 PolarHBondContact CE1-O 3.32Å; I312-L377 HydrophobicContact CD1-CD2 3.45Å; I312-L377 VanDerWaalsContact CD1-CD2 3.45Å; I312-L377 HydrophobicContact CG1-CD2 3.84Å; I338-L377 HydrophobicContact CG2-CD2 4.03Å; A355-L377 HydrophobicContact CB-CD1 3.95Å; A355-L377 HydrophobicContact CB-CD2 3.94Å; V357-L377 HydrophobicContact CG2-CD1 3.81Å; V357-L377 HydrophobicContact CG2-CG 4.48Å; L374-L377 HydrophobicContact CD2-CD1 4.26Å; L374-L377 WeakPolarHBondContact O-CB 2.98Å; L374-L377 PolarHBondContact O-N 3.39Å; L374-L377 VanDerWaalsContact O-N 3.09Å; K375-L377 VanDerWaalsContact C-N 3.26Å; K375-L377 PolarHBondContact O-N 2.95Å; L377-I380 HydrophobicContact CB-CD1 4.36Å; L377-I380 HydrophobicContact CB-CG1 4.22Å; L377-I380 HydrophobicContact CD1-CD1 4.23Å
378G96.4Very high97.9Very high47 Ų4749.2 Ų49.249%0.48526%0.258SS..  trans75.4-135.7-17600000112.6L376 I380L376-G378 VanDerWaalsContact C-N 3.27Å; L376-G378 PolarHBondContact O-N 2.81Å; G378-I380 PolarHBondContact O-N 3.15Å
379T97.9Very high97.9Very high105 Ų10545.3 Ų45.364%0.64424%0.244SC*.SBendtrans-79123.1179.7-57.70000109.5H310H310-T379 PolarHBondContact NE2-N 2.93Å; H310-T379 PolarHBondContact NE2-O 3.15Å
380I98.3Very high97.9Very high51 Ų5145.6 Ų45.626%0.26225%0.246SC..  trans-100.6123.1-179.3-56.1173.4000108.7C306 L308 L374 L377 G378 Q382 V383C306-I380 HydrophobicContact CB-CG2 3.98Å; L308-I380 HydrophobicContact CD2-CB 4.21Å; L308-I380 HydrophobicContact CD2-CG1 3.85Å; L308-I380 HydrophobicContact CD2-CG2 4.21Å; L374-I380 HydrophobicContact CB-CD1 4.24Å; L374-I380 HydrophobicContact CD2-CD1 3.88Å; L377-I380 HydrophobicContact CB-CD1 4.36Å; L377-I380 HydrophobicContact CB-CG1 4.22Å; L377-I380 HydrophobicContact CD1-CD1 4.23Å; G378-I380 PolarHBondContact O-N 3.15Å; I380-Q382 VanDerWaalsContact CG2-O 3.25Å; I380-Q382 WeakPolarHBondContact CG2-O 3.26Å; I380-V383 HydrophobicContact CG2-CB 4.17Å
381E97Very high97.9Very high67 Ų6748.4 Ų48.431%0.31326%0.258SS..SBendtrans-71.4-40.7179.8177.562.8-158.100111.4K63 Y64 I307 T309K63-E381 WeakPolarHBondContact CE-OE1 3.41Å; K63-E381 IonicContact NZ-OE1 2.66Å; K63-E381 PolarHBondContact NZ-OE1 3.33Å; Y64-E381 HydrophobicContact CE1-CG 3.85Å; I307-E381 HydrophobicContact CB-CB 4.48Å; I307-E381 HydrophobicContact CG2-CB 4.31Å; I307-E381 HydrophobicContact CG2-CG 4.46Å; I307-E381 VanDerWaalsContact O-CB 3.29Å; I307-E381 WeakPolarHBondContact O-CB 3.36Å; I307-E381 PolarHBondContact O-N 2.87Å; T309-E381 HydrophobicContact CG2-CB 4.32Å; T309-E381 HydrophobicContact CG2-CG 4.35Å
382Q97.7Very high97.9Very high40 Ų4046.5 Ų46.519%0.18725%0.252CS..EExtended strand (participates in β ladder)trans-153.8141.6174.8-178.261.344.800109.5F52 C306 I307 I380 F384F52-Q382 HydrophobicContact CE1-CG 3.9Å; F52-Q382 HydrophobicContact CZ-CB 4.44Å; F52-Q382 HydrophobicContact CZ-CG 3.85Å; C306-Q382 CarbonylContact C-O 3.26Å; C306-Q382 WeakPolarHBondContact CA-O 3.29Å; I307-Q382 HydrophobicContact CB-CB 4.35Å; I307-Q382 HydrophobicContact CD1-CB 4.32Å; I307-Q382 PolarHBondContact N-O 3.03Å; I307-Q382 PolarHBondContact O-N 2.79Å; I380-Q382 VanDerWaalsContact CG2-O 3.25Å; I380-Q382 WeakPolarHBondContact CG2-O 3.26Å; Q382-F384 HydrophobicContact CB-CE2 4.37Å; Q382-F384 HydrophobicContact CG-CD2 4.22Å; Q382-F384 HydrophobicContact CG-CE1 3.95Å; Q382-F384 HydrophobicContact CG-CE2 3.56Å; Q382-F384 HydrophobicContact CG-CZ 3.43Å; Q382-F384 VanDerWaalsContact CG-CZ 3.43Å
383V98.2Very high98Very high39 Ų3946 Ų4624%0.23625%0.249CC..EExtended strand (participates in β ladder)trans-124140172.363.60000110.2A304 I305 I380 Y385A304-V383 HydrophobicContact CB-CG2 3.91Å; I305-V383 CarbonylContact O-C 3.59Å; I305-V383 WeakPolarHBondContact O-CA 3.49Å; I380-V383 HydrophobicContact CG2-CB 4.17Å; V383-Y385 HydrophobicContact CB-CE2 4.32Å; V383-Y385 HydrophobicContact CG1-CD2 4.44Å; V383-Y385 HydrophobicContact CG1-CE2 3.62Å; V383-Y385 HydrophobicContact CG2-CD1 4.39Å; V383-Y385 HydrophobicContact CG2-CD2 4.27Å; V383-Y385 HydrophobicContact CG2-CE1 3.87Å; V383-Y385 HydrophobicContact CG2-CE2 3.72Å
384F98.4Very high97.9Very high3 Ų349.7 Ų49.71%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-123.6124.5174.5-53.5-85.6000108.6L51 F52 F55 V57 A304 I305 I307 Q382L51-F384 HydrophobicContact CD2-CD2 4.01Å; L51-F384 HydrophobicContact CD2-CE2 3.46Å; L51-F384 VanDerWaalsContact CD2-CE2 3.46Å; L51-F384 HydrophobicContact CD2-CZ 3.89Å; L51-F384 HydrophobicContact CG-CD2 4.3Å; L51-F384 HydrophobicContact CG-CE2 3.96Å; L51-F384 HydrophobicContact CG-CZ 4.05Å; F52-F384 AromaticContact CD1-CE1 3.76Å; F52-F384 HydrophobicContact CD1-CE1 3.76Å; F52-F384 AromaticContact CD1-CZ 3.84Å; F52-F384 HydrophobicContact CD1-CZ 3.84Å; F52-F384 HydrophobicContact CD2-CZ 4.07Å; F52-F384 AromaticContact CE1-CE1 3.78Å; F52-F384 HydrophobicContact CE1-CE1 3.78Å; F52-F384 AromaticContact CE1-CZ 3.55Å; F52-F384 HydrophobicContact CE1-CZ 3.55Å; F52-F384 AromaticContact CE2-CZ 3.83Å; F52-F384 HydrophobicContact CE2-CZ 3.83Å; F52-F384 HydrophobicContact CG-CE1 4.18Å; F52-F384 HydrophobicContact CG-CZ 4.07Å; F52-F384 HydrophobicContact CZ-CE1 4.27Å; F52-F384 AromaticContact CZ-CZ 3.55Å; F52-F384 HydrophobicContact CZ-CZ 3.55Å; F55-F384 HydrophobicContact CB-CB 4.39Å; F55-F384 HydrophobicContact CB-CD1 3.56Å; F55-F384 HydrophobicContact CB-CE1 4.27Å; F55-F384 HydrophobicContact CB-CG 4.37Å; F55-F384 HydrophobicContact CD1-CB 3.81Å; F55-F384 HydrophobicContact CD2-CB 3.73Å; F55-F384 AromaticContact CD2-CD1 3.78Å; F55-F384 HydrophobicContact CD2-CD1 3.78Å; F55-F384 AromaticContact CD2-CG 3.87Å; F55-F384 HydrophobicContact CD2-CG 3.87Å; F55-F384 HydrophobicContact CE1-CB 3.92Å; F55-F384 HydrophobicContact CE2-CB 3.88Å; F55-F384 HydrophobicContact CE2-CG 4.33Å; F55-F384 HydrophobicContact CG-CB 3.71Å; F55-F384 AromaticContact CG-CD1 3.72Å; F55-F384 HydrophobicContact CG-CD1 3.72Å; F55-F384 HydrophobicContact CG-CG 4.05Å; F55-F384 HydrophobicContact CZ-CB 3.97Å; V57-F384 HydrophobicContact CB-CD1 4.49Å; V57-F384 HydrophobicContact CB-CE1 4.03Å; V57-F384 HydrophobicContact CG1-CE1 4.42Å; V57-F384 HydrophobicContact CG2-CD1 3.88Å; V57-F384 HydrophobicContact CG2-CE1 3.92Å; A304-F384 CarbonylContact C-O 3.6Å; A304-F384 VanDerWaalsContact CA-O 3.22Å; A304-F384 WeakPolarHBondContact CA-O 3.25Å; I305-F384 HydrophobicContact CB-CB 4.3Å; I305-F384 HydrophobicContact CB-CD2 4.22Å; I305-F384 HydrophobicContact CG2-CD2 4.43Å; I305-F384 PolarHBondContact N-O 2.95Å; I305-F384 WeakPolarHBondContact O-CD2 3.46Å; I305-F384 PolarHBondContact O-N 3.25Å; I307-F384 HydrophobicContact CD1-CE2 4.02Å; I307-F384 HydrophobicContact CG1-CE2 4.35Å; Q382-F384 HydrophobicContact CB-CE2 4.37Å; Q382-F384 HydrophobicContact CG-CD2 4.22Å; Q382-F384 HydrophobicContact CG-CE1 3.95Å; Q382-F384 HydrophobicContact CG-CE2 3.56Å; Q382-F384 HydrophobicContact CG-CZ 3.43Å; Q382-F384 VanDerWaalsContact CG-CZ 3.43Å
385Y98.2Very high97.8Very high73 Ų7352.1 Ų52.129%0.28629%0.285SS..EExtended strand (participates in β ladder)trans-103.6142.4179.9-64.3-77.2000111.4F55 R303 A304 E367 L370 L374 V383F55-Y385 WeakPolarHBondContact CE1-O 3.4Å; R303-Y385 WeakPolarHBondContact O-CA 3.43Å; A304-Y385 HydrophobicContact CB-CD1 3.83Å; A304-Y385 HydrophobicContact CB-CE1 3.75Å; E367-Y385 HydrophobicContact CB-CD1 4.19Å; E367-Y385 HydrophobicContact CB-CE1 4.2Å; E367-Y385 HydrophobicContact CG-CD1 3.86Å; E367-Y385 HydrophobicContact CG-CD2 4.3Å; E367-Y385 HydrophobicContact CG-CE1 4.35Å; E367-Y385 HydrophobicContact CG-CG 3.82Å; L370-Y385 HydrophobicContact CD1-CD1 4.18Å; L370-Y385 HydrophobicContact CD1-CE1 4.17Å; L374-Y385 HydrophobicContact CD1-CE1 4.13Å; L374-Y385 WeakPolarHBondContact CD1-OH 3.47Å; V383-Y385 HydrophobicContact CB-CE2 4.32Å; V383-Y385 HydrophobicContact CG1-CD2 4.44Å; V383-Y385 HydrophobicContact CG1-CE2 3.62Å; V383-Y385 HydrophobicContact CG2-CD1 4.39Å; V383-Y385 HydrophobicContact CG2-CD2 4.27Å; V383-Y385 HydrophobicContact CG2-CE1 3.87Å; V383-Y385 HydrophobicContact CG2-CE2 3.72Å
386S97.9Very high97.8Very high23 Ų2348.8 Ų48.816%0.16127%0.274CS..EExtended strand (participates in β ladder)trans-136.6146.1165.858.80000110.7V302 R303V302-S386 CarbonylContact C-O 3.29Å; V302-S386 WeakPolarHBondContact CA-O 3.41Å; R303-S386 PolarHBondContact N-O 3.15Å; R303-S386 PolarHBondContact O-N 3.3Å
387V98.3Very high97.8Very high67 Ų6747.3 Ų47.341%0.40627%0.267SS..EExtended strand (participates in β ladder)trans-120.2123.7167.7-178.20000107Q300 V301 V302 V361 P366Q300-V387 HydrophobicContact CB-CG1 4.35Å; V301-V387 CarbonylContact O-C 3.47Å; V301-V387 WeakPolarHBondContact O-CA 3.4Å; V302-V387 HydrophobicContact CB-CG2 4.22Å; V302-V387 HydrophobicContact CG2-CG2 4.01Å; V361-V387 HydrophobicContact CG2-CG1 4.24Å; P366-V387 HydrophobicContact CB-CG2 3.86Å; P366-V387 HydrophobicContact CG-CG2 4.12Å
388Q97.7Very high97.8Very high45 Ų4552.1 Ų52.121%0.2129%0.285CS..EExtended strand (participates in β ladder)trans-124.2139-175.2-67.5173.7-500110.1Q300 V301Q300-Q388 CarbonylContact C-O 3.54Å; Q300-Q388 VanDerWaalsContact CA-O 3.25Å; Q300-Q388 WeakPolarHBondContact CA-O 3.45Å; V301-Q388 PolarHBondContact N-O 3.31Å; V301-Q388 PolarHBondContact O-N 3.02Å
389D98.2Very high97.9Very high58 Ų5856.5 Ų56.531%0.3129%0.293SS..EExtended strand (participates in β ladder)trans-76.7136.6174-73.1-2.8000110.2K297 Q300 F391K297-D389 HydrophobicContact CD-CB 4.23Å; K297-D389 WeakPolarHBondContact CD-OD2 3.42Å; K297-D389 VanDerWaalsContact CE-CG 3.47Å; K297-D389 VanDerWaalsContact CE-OD1 3.29Å; K297-D389 WeakPolarHBondContact CE-OD1 3.33Å; K297-D389 HydrophobicContact CG-CB 4.39Å; K297-D389 IonicContact NZ-OD1 2.59Å; K297-D389 PolarHBondContact NZ-OD1 3.39Å; K297-D389 IonicContact NZ-OD2 2.81Å; K297-D389 PolarHBondContact NZ-OD2 3.3Å; Q300-D389 VanDerWaalsContact CG-OD1 3.31Å; Q300-D389 WeakPolarHBondContact CG-OD1 3.38Å; Q300-D389 PolarHBondContact NE2-OD1 3.44Å; D389-F391 HydrophobicContact CB-CD2 4.22Å; D389-F391 HydrophobicContact CB-CE1 4.39Å; D389-F391 HydrophobicContact CB-CE2 3.4Å; D389-F391 VanDerWaalsContact CB-CE2 3.4Å; D389-F391 HydrophobicContact CB-CZ 3.49Å; D389-F391 VanDerWaalsContact CB-CZ 3.49Å
390L98.2Very high97.9Very high17 Ų1752 Ų529%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-95.7125.1171.9-61.6-168.5000110.2K297 V298 D299 V301 I360 Y408K297-L390 CarbonylContact C-O 3.54Å; K297-L390 WeakPolarHBondContact CA-O 3.4Å; V298-L390 HydrophobicContact CG2-CB 4.13Å; V298-L390 WeakPolarHBondContact CG2-O 3.37Å; V298-L390 PolarHBondContact N-O 2.94Å; D299-L390 HydrophobicContact CB-CB 4.1Å; D299-L390 HydrophobicContact CB-CD1 3.92Å; D299-L390 HydrophobicContact CB-CG 4.25Å; D299-L390 PolarHBondContact O-N 2.9Å; V301-L390 HydrophobicContact CB-CD2 4.47Å; V301-L390 HydrophobicContact CG2-CD1 3.62Å; V301-L390 HydrophobicContact CG2-CD2 3.71Å; V301-L390 HydrophobicContact CG2-CG 3.78Å; I360-L390 HydrophobicContact CD1-CD1 3.81Å; L390-Y408 VanDerWaalsContact CD2-O 3.29Å; L390-Y408 WeakPolarHBondContact CD2-O 3.48Å
391F98.6Very high97.9Very high59 Ų5952.4 Ų52.426%0.25926%0.264SS..EExtended strand (participates in β ladder)trans-115.9146.3-179.4-63.6-77.3000111.6P288 V295 I296 K297 D389 S406 S407P288-F391 HydrophobicContact CB-CB 3.69Å; P288-F391 HydrophobicContact CB-CD2 4.23Å; P288-F391 HydrophobicContact CB-CG 4.17Å; P288-F391 HydrophobicContact CG-CB 3.82Å; V295-F391 HydrophobicContact CB-CB 4.1Å; V295-F391 HydrophobicContact CB-CD1 4.33Å; V295-F391 HydrophobicContact CG2-CB 4.22Å; V295-F391 HydrophobicContact CG2-CD1 3.82Å; V295-F391 HydrophobicContact CG2-CG 4.17Å; I296-F391 WeakPolarHBondContact O-CA 3.34Å; K297-F391 HydrophobicContact CB-CD1 4.11Å; K297-F391 HydrophobicContact CB-CE1 3.79Å; D389-F391 HydrophobicContact CB-CD2 4.22Å; D389-F391 HydrophobicContact CB-CE1 4.39Å; D389-F391 HydrophobicContact CB-CE2 3.4Å; D389-F391 VanDerWaalsContact CB-CE2 3.4Å; D389-F391 HydrophobicContact CB-CZ 3.49Å; D389-F391 VanDerWaalsContact CB-CZ 3.49Å; F391-S406 WeakPolarHBondContact O-CA 3.1Å; F391-S407 PolarHBondContact N-OG 2.86Å; F391-S407 PolarHBondContact O-N 3.49Å
392V98.4Very high98Very high45 Ų4549.2 Ų49.227%0.27325%0.249SC..EExtended strand (participates in β ladder)trans-129.5152.6168-57.70000109.6V295 I296 V298V295-V392 VanDerWaalsContact CA-O 3.27Å; V295-V392 WeakPolarHBondContact CA-O 3.17Å; V295-V392 WeakPolarHBondContact CB-O 3.27Å; I296-V392 HydrophobicContact CD1-CG2 4.12Å; I296-V392 HydrophobicContact CG1-CG2 3.76Å; I296-V392 PolarHBondContact N-O 3.13Å; I296-V392 PolarHBondContact O-N 2.87Å; I296-V392 VanDerWaalsContact O-N 3.11Å; V298-V392 HydrophobicContact CG1-CB 4.49Å; V298-V392 HydrophobicContact CG1-CG1 4.27Å; V298-V392 HydrophobicContact CG1-CG2 3.5Å; V298-V392 VanDerWaalsContact CG1-CG2 3.5Å; V298-V392 HydrophobicContact CG2-CG1 3.9Å
393P98.4Very high98Very high30 Ų3047.3 Ų47.320%0.19524%0.24CC..EExtended strand (participates in β ladder)trans-57.3145.8173.520.5-32000112.5I404P393-I404 HydrophobicContact CB-CB 4.14Å; P393-I404 HydrophobicContact CB-CD1 4.36Å
394T97.9Very high98.1Very high77 Ų7745.5 Ų45.547%0.47223%0.229SC..SBendtrans-81.7-16172.450.50000114M294 I296M294-T394 PolarHBondContact O-N 3.22Å; M294-T394 PolarHBondContact O-OG1 3.36Å; M294-T394 VanDerWaalsContact O-OG1 3.09Å; I296-T394 HydrophobicContact CB-CG2 4.28Å; I296-T394 HydrophobicContact CG1-CG2 4.18Å; I296-T394 HydrophobicContact CG2-CG2 3.54Å
395D96Very high98.1Very high71 Ų7145.5 Ų45.538%0.3823%0.229SC..SBendtrans-139.5174.8-178.974.126.8000112.9G397D395-G397 VanDerWaalsContact C-N 3.27Å; D395-G397 PolarHBondContact O-N 3.31Å; D395-G397 WeakPolarHBondContact OD1-CA 3.45Å; D395-G397 PolarHBondContact OD1-N 3.31Å
396D97.1Very high98.1Very high75 Ų7543.3 Ų43.340%0.40122%0.224SC..  trans-75-11.4-179.4-170.1-107.9000113.3R398 R427D396-R398 PolarHBondContact O-N 2.85Å; D396-R398 WeakPolarHBondContact OD1-CB 3.47Å; D396-R398 WeakPolarHBondContact OD1-CD 3.42Å; D396-R398 WeakPolarHBondContact OD1-CG 3.29Å; D396-R398 IonicContact OD1-CZ 3.83Å; D396-R398 IonicContact OD1-NE 3.76Å; D396-R398 IonicContact OD1-NH1 2.92Å; D396-R398 PolarHBondContact OD1-NH1 3.35Å; D396-R398 IonicContact OD2-NH1 3.59Å; D396-R427 WeakPolarHBondContact O-CD 3Å; D396-R427 PolarHBondContact O-NH1 3.36Å; D396-R427 WeakPolarHBondContact OD2-CD 3.22Å
397G98.1Very high98.1Very high2 Ų243.3 Ų43.32%0.02122%0.224CC..SBendtrans73.1-16.5-176.400000115.8D395 E399 S400 R401 V402D395-G397 VanDerWaalsContact C-N 3.27Å; D395-G397 PolarHBondContact O-N 3.31Å; D395-G397 WeakPolarHBondContact OD1-CA 3.45Å; D395-G397 PolarHBondContact OD1-N 3.31Å; G397-E399 PolarHBondContact O-N 3.22Å; G397-S400 PolarHBondContact O-OG 2.91Å; G397-R401 WeakPolarHBondContact O-CA 3.3Å; G397-R401 PolarHBondContact O-N 3.37Å; G397-V402 WeakPolarHBondContact CA-O 3.24Å; G397-V402 PolarHBondContact O-N 3.03Å
398R98Very high98Very high101 Ų10140.8 Ų40.838%0.38121%0.208SC..THydrogen-bonded Turntrans-66.6-33.8-178.1-77.1-176.2-176122.6-10.8114.3D396 R401 F403D396-R398 PolarHBondContact O-N 2.85Å; D396-R398 WeakPolarHBondContact OD1-CB 3.47Å; D396-R398 WeakPolarHBondContact OD1-CD 3.42Å; D396-R398 WeakPolarHBondContact OD1-CG 3.29Å; D396-R398 IonicContact OD1-CZ 3.83Å; D396-R398 IonicContact OD1-NE 3.76Å; D396-R398 IonicContact OD1-NH1 2.92Å; D396-R398 PolarHBondContact OD1-NH1 3.35Å; D396-R398 IonicContact OD2-NH1 3.59Å; R398-R401 WeakPolarHBondContact O-CD 3.28Å; R398-F403 HydrophobicContact CG-CE1 4.15Å; R398-F403 HydrophobicContact CG-CZ 4.5Å
399E97.5Very high97.9Very high138 Ų13839.5 Ų39.565%0.64520%0.203SC*.THydrogen-bonded Turntrans-81.3-44.8177.1-70.6-54.4147.100112.3R268 G397 R401R268-E399 WeakPolarHBondContact CG-O 3.24Å; R268-E399 PolarHBondContact NE-O 3.48Å; R268-E399 IonicContact NH2-OE2 3.32Å; R268-E399 PolarHBondContact NH2-OE2 2.7Å; G397-E399 PolarHBondContact O-N 3.22Å; E399-R401 VanDerWaalsContact C-N 3.3Å
400S97.9Very high97.9Very high10 Ų1037 Ų377%0.0719%0.189CC..THydrogen-bonded Turntrans-75.1-21.4179.461.50000113.2G267 R268 V269 G397 V402G267-S400 WeakPolarHBondContact O-CA 3.18Å; R268-S400 CarbonylContact C-O 3.56Å; R268-S400 WeakPolarHBondContact CA-O 3.19Å; V269-S400 PolarHBondContact N-O 3.06Å; G397-S400 PolarHBondContact O-OG 2.91Å; S400-V402 PolarHBondContact O-N 3.09Å; S400-V402 PolarHBondContact OG-N 2.82Å
401R98.5Very high97.8Very high60 Ų6036.1 Ų36.123%0.22619%0.185CC..  trans6022.5-168.6-51.9-57.8-61.8172.46.3113R268 V269 N282 M283 V284 G397 R398 E399R268-R401 HydrophobicContact CG-CG 4.29Å; V269-R401 HydrophobicContact CG1-CB 3.87Å; V269-R401 VanDerWaalsContact CG1-O 3.22Å; V269-R401 WeakPolarHBondContact CG1-O 3.41Å; N282-R401 WeakPolarHBondContact O-CB 3.16Å; M283-R401 CarbonylContact C-O 3.38Å; M283-R401 VanDerWaalsContact CA-O 3.23Å; M283-R401 WeakPolarHBondContact CA-O 3.41Å; M283-R401 HydrophobicContact CB-CB 4.07Å; M283-R401 VanDerWaalsContact CB-O 3.3Å; M283-R401 WeakPolarHBondContact CB-O 3.38Å; M283-R401 PolarHBondContact SD-NH2 3.21Å; V284-R401 PolarHBondContact N-O 3.02Å; G397-R401 WeakPolarHBondContact O-CA 3.3Å; G397-R401 PolarHBondContact O-N 3.37Å; R398-R401 WeakPolarHBondContact O-CD 3.28Å; E399-R401 VanDerWaalsContact C-N 3.3Å
402V98.7Very high97.7Very high1 Ų133.5 Ų33.51%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-112.2111173.7-175.70000107.9L262 M264 V269 V284 V291 M294 G397 S400 I404L262-V402 HydrophobicContact CD2-CG1 4.03Å; L262-V402 HydrophobicContact CD2-CG2 3.96Å; M264-V402 HydrophobicContact CE-CG2 4.42Å; M264-V402 HydrophobicContact SD-CG2 4.38Å; V269-V402 HydrophobicContact CB-CG2 3.8Å; V269-V402 HydrophobicContact CG1-CG2 3.85Å; V284-V402 WeakPolarHBondContact O-CA 3.4Å; V291-V402 HydrophobicContact CG1-CG1 4.36Å; M294-V402 HydrophobicContact SD-CB 4.29Å; M294-V402 HydrophobicContact SD-CG1 4.07Å; M294-V402 HydrophobicContact SD-CG2 4.4Å; G397-V402 WeakPolarHBondContact CA-O 3.24Å; G397-V402 PolarHBondContact O-N 3.03Å; S400-V402 PolarHBondContact O-N 3.09Å; S400-V402 PolarHBondContact OG-N 2.82Å; V402-I404 HydrophobicContact CG1-CD1 4.35Å; V402-I404 HydrophobicContact CG1-CG1 3.97Å
403F98.8Very high97.5Very high0 Ų031.7 Ų31.70%016%0.162CC..EExtended strand (participates in β ladder)trans-106.4115.6-176.6-60.5-88.8000109M283 V284 I285 C286 R398 L424 R427 V428M283-F403 HydrophobicContact CB-CD2 4.3Å; M283-F403 HydrophobicContact CB-CE2 3.98Å; M283-F403 HydrophobicContact CG-CE2 4.5Å; M283-F403 HydrophobicContact SD-CE2 4.07Å; V284-F403 PolarHBondContact O-N 3.43Å; I285-F403 CarbonylContact C-O 3.6Å; I285-F403 VanDerWaalsContact CA-O 3.25Å; I285-F403 WeakPolarHBondContact CA-O 3.26Å; I285-F403 HydrophobicContact CG1-CB 4.28Å; C286-F403 PolarHBondContact N-O 3.27Å; R398-F403 HydrophobicContact CG-CE1 4.15Å; R398-F403 HydrophobicContact CG-CZ 4.5Å; F403-L424 HydrophobicContact CB-CD2 3.83Å; F403-R427 HydrophobicContact CD1-CB 4.06Å; F403-R427 HydrophobicContact CE1-CB 3.86Å; F403-V428 HydrophobicContact CB-CG2 3.98Å; F403-V428 HydrophobicContact CD1-CG2 3.7Å; F403-V428 HydrophobicContact CD2-CG2 3.67Å; F403-V428 HydrophobicContact CE1-CG2 4.05Å; F403-V428 HydrophobicContact CE2-CG2 4.02Å; F403-V428 HydrophobicContact CG-CG2 3.49Å; F403-V428 VanDerWaalsContact CG-CG2 3.49Å; F403-V428 HydrophobicContact CZ-CG2 4.2Å
404I98.8Very high97.4Very high1 Ų130.2 Ų30.21%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-113129.8-169.9-44.1164.3000108.7C286 P288 V291 M294 V295 P393 V402C286-I404 VanDerWaalsContact O-CA 3.29Å; C286-I404 WeakPolarHBondContact O-CA 3.39Å; P288-I404 HydrophobicContact CG-CG2 4.28Å; V291-I404 HydrophobicContact CB-CD1 4.48Å; V291-I404 HydrophobicContact CG2-CD1 3.5Å; V291-I404 HydrophobicContact CG2-CG1 3.8Å; V291-I404 HydrophobicContact CG2-CG2 4.02Å; M294-I404 HydrophobicContact CB-CD1 3.56Å; M294-I404 WeakPolarHBondContact O-CD1 3.48Å; V295-I404 HydrophobicContact CG1-CD1 4.04Å; V295-I404 HydrophobicContact CG1-CG2 3.84Å; P393-I404 HydrophobicContact CB-CB 4.14Å; P393-I404 HydrophobicContact CB-CD1 4.36Å; V402-I404 HydrophobicContact CG1-CD1 4.35Å; V402-I404 HydrophobicContact CG1-CG1 3.97Å
405S98.5Very high97.2Very high3 Ų328.1 Ų28.12%0.02114%0.138CC..PPolyproline II helixtrans-76.4154.1172.267.20000112.2E16 C286 P288 D420E16-S405 WeakPolarHBondContact OE1-CB 3.37Å; E16-S405 PolarHBondContact OE1-OG 3.45Å; C286-S405 PolarHBondContact O-N 3.35Å; P288-S405 VanDerWaalsContact CD-O 3.3Å; P288-S405 WeakPolarHBondContact CD-O 3.36Å; P288-S405 VanDerWaalsContact CG-O 3.23Å; P288-S405 WeakPolarHBondContact CG-O 3.04Å; S405-D420 WeakPolarHBondContact CB-OD2 3.46Å
406S98.1Very high97.1Very high26 Ų2626.8 Ų26.818%0.18213%0.134CC..PPolyproline II helixtrans-77.9157.6172.749.80000111.7K15 F391 D420K15-S406 PolarHBondContact NZ-O 3.07Å; K15-S406 PolarHBondContact NZ-OG 3.44Å; F391-S406 WeakPolarHBondContact O-CA 3.1Å; S406-D420 PolarHBondContact N-OD2 2.81Å; S406-D420 PolarHBondContact OG-OD1 2.98Å; S406-D420 PolarHBondContact OG-OD2 2.96Å; S406-D420 VanDerWaalsContact OG-OD2 3.08Å
407S98.1Very high97.1Very high23 Ų2323.2 Ų23.216%0.16112%0.115CC..PPolyproline II helixtrans-63.5159171.9-63.90000112.5F391 D409F391-S407 PolarHBondContact N-OG 2.86Å; F391-S407 PolarHBondContact O-N 3.49Å; S407-D409 PolarHBondContact O-N 2.92Å
408Y97.2Very high97Very high14 Ų1423.1 Ų23.16%0.05511%0.114CC..PPolyproline II helixtrans-75.4123.2175-65.6-78.6000111.7L14 K15 D42 I43 I75 R303 L390 T417L14-Y408 WeakPolarHBondContact CB-OH 3.43Å; L14-Y408 PolarHBondContact N-OH 2.92Å; K15-Y408 HydrophobicContact CG-CE1 4.41Å; D42-Y408 HydrophobicContact CB-CD2 4.14Å; D42-Y408 HydrophobicContact CB-CE2 4.38Å; I43-Y408 HydrophobicContact CD1-CE1 4.43Å; I75-Y408 HydrophobicContact CD1-CD2 4.22Å; I75-Y408 HydrophobicContact CD1-CG 4.32Å; R303-Y408 PolarHBondContact NH2-O 2.95Å; L390-Y408 VanDerWaalsContact CD2-O 3.29Å; L390-Y408 WeakPolarHBondContact CD2-O 3.48Å; Y408-T417 HydrophobicContact CD1-CG2 4.39Å; Y408-T417 HydrophobicContact CE1-CG2 3.81Å
409D96Very high96.9Very high19 Ų1920.5 Ų20.510%0.10211%0.114CC..  trans-69.6175.5176.568.119.7000113.8K77 Q196 R303 S407 S411 S416K77-D409 PolarHBondContact NZ-O 2.8Å; K77-D409 IonicContact NZ-OD1 3.51Å; K77-D409 PolarHBondContact NZ-OD1 2.9Å; Q196-D409 PolarHBondContact NE2-OD2 2.88Å; R303-D409 PolarHBondContact NH1-O 3.19Å; R303-D409 PolarHBondContact NH2-O 3.46Å; S407-D409 PolarHBondContact O-N 2.92Å; D409-S411 VanDerWaalsContact C-N 3.27Å; D409-S411 PolarHBondContact O-N 2.96Å; D409-S411 WeakPolarHBondContact OD1-CB 3.32Å; D409-S411 PolarHBondContact OD1-N 3.43Å; D409-S411 PolarHBondContact OD1-OG 2.9Å; D409-S411 PolarHBondContact OD2-OG 3.3Å; D409-S416 VanDerWaalsContact OD2-CB 3.31Å; D409-S416 WeakPolarHBondContact OD2-CB 3.19Å; D409-S416 PolarHBondContact OD2-OG 3.26Å
410A96.9Very high96.9Very high4 Ų414.9 Ų14.93%0.0339%0.088CC..SBendtrans-71.7-16.1179.400000114.4V301 Y337 A358V301-A410 HydrophobicContact CG1-CB 3.82Å; V301-A410 HydrophobicContact CG2-CB 4.08Å; Y337-A410 WeakPolarHBondContact CB-O 3.49Å; Y337-A410 HydrophobicContact CD2-CB 3.9Å; Y337-A410 WeakPolarHBondContact CD2-O 3.16Å; Y337-A410 HydrophobicContact CE2-CB 4.24Å; A358-A410 HydrophobicContact CB-CB 4.24Å
411S96.3Very high96.9Very high0 Ų014.5 Ų14.50%09%0.085CC..  trans-62.8155.2-17174.50000112.4K77 D409 H413K77-S411 PolarHBondContact NZ-O 3.43Å; K77-S411 PolarHBondContact NZ-OG 3.48Å; D409-S411 VanDerWaalsContact C-N 3.27Å; D409-S411 PolarHBondContact O-N 2.96Å; D409-S411 WeakPolarHBondContact OD1-CB 3.32Å; D409-S411 PolarHBondContact OD1-N 3.43Å; D409-S411 PolarHBondContact OD1-OG 2.9Å; D409-S411 PolarHBondContact OD2-OG 3.3Å; S411-H413 VanDerWaalsContact C-N 3.26Å; S411-H413 PolarHBondContact O-N 3.18Å; S411-H413 PolarHBondContact OG-O 3.12Å
412T96.3Very high96.9Very high4 Ų413 Ų133%0.0258%0.082CC..SBendtrans-84.910.9178.852.30000113.5K77 F78 Q322 Y337 T339K77-T412 CarbonylContact C-O 3.5Å; K77-T412 WeakPolarHBondContact CA-O 3.49Å; F78-T412 PolarHBondContact N-O 3.4Å; Q322-T412 VanDerWaalsContact CD-OG1 3.32Å; Q322-T412 HydrophobicContact CG-CG2 4.05Å; Q322-T412 WeakPolarHBondContact CG-OG1 3.11Å; Q322-T412 PolarHBondContact NE2-OG1 2.83Å; Y337-T412 HydrophobicContact CD1-CG2 4.25Å; Y337-T412 HydrophobicContact CG-CG2 4.3Å; T339-T412 HydrophobicContact CG2-CG2 3.38Å
413H95.4Very high96.9Very high6 Ų616.5 Ų16.53%0.02810%0.1CC..BIsolated β-bridgetrans-136.6168.9-175.160.970.2000112.4K77 F78 L194 S411 E415K77-H413 PolarHBondContact NZ-O 3.05Å; F78-H413 WeakPolarHBondContact O-CA 3.35Å; L194-H413 WeakPolarHBondContact CB-NE2 3.42Å; L194-H413 HydrophobicContact CD1-CB 4.33Å; S411-H413 VanDerWaalsContact C-N 3.26Å; S411-H413 PolarHBondContact O-N 3.18Å; S411-H413 PolarHBondContact OG-O 3.12Å; H413-E415 PolarHBondContact ND1-N 3.06Å
414F96.2Very high96.9Very high0 Ų016.5 Ų16.50%010%0.1CC..SBendtrans-951.1-177.5-74.3-73.2000115.3L14 I43 K77 F78 L79 L85 L235 L238 S416 T417 C418L14-F414 HydrophobicContact CD2-CD1 3.9Å; L14-F414 HydrophobicContact CD2-CE1 3.46Å; L14-F414 VanDerWaalsContact CD2-CE1 3.46Å; L14-F414 HydrophobicContact CD2-CZ 4.06Å; I43-F414 HydrophobicContact CD1-CE1 3.43Å; I43-F414 VanDerWaalsContact CD1-CE1 3.43Å; I43-F414 HydrophobicContact CD1-CZ 3.58Å; K77-F414 HydrophobicContact CB-CD1 4.3Å; K77-F414 HydrophobicContact CB-CD2 3.92Å; K77-F414 HydrophobicContact CB-CE1 3.94Å; K77-F414 HydrophobicContact CB-CE2 3.52Å; K77-F414 HydrophobicContact CB-CG 4.31Å; K77-F414 HydrophobicContact CB-CZ 3.56Å; K77-F414 HydrophobicContact CD-CD1 3.84Å; K77-F414 HydrophobicContact CD-CE1 3.73Å; K77-F414 HydrophobicContact CD-CG 4.43Å; K77-F414 HydrophobicContact CD-CZ 4.24Å; K77-F414 HydrophobicContact CG-CE1 4.44Å; K77-F414 HydrophobicContact CG-CZ 4.47Å; F78-F414 WeakPolarHBondContact O-CD2 2.98Å; L79-F414 HydrophobicContact CD1-CD2 4.23Å; L79-F414 HydrophobicContact CD1-CE2 3.89Å; L79-F414 HydrophobicContact CG-CD2 3.97Å; L79-F414 HydrophobicContact CG-CE2 4.11Å; L85-F414 HydrophobicContact CB-CB 4.38Å; L85-F414 HydrophobicContact CD2-CB 3.77Å; L85-F414 HydrophobicContact CD2-CD1 4Å; L85-F414 HydrophobicContact CD2-CD2 3.5Å; L85-F414 HydrophobicContact CD2-CE1 4.44Å; L85-F414 HydrophobicContact CD2-CE2 3.99Å; L85-F414 HydrophobicContact CD2-CG 3.48Å; L85-F414 VanDerWaalsContact CD2-CG 3.48Å; L85-F414 HydrophobicContact CD2-CZ 4.42Å; L235-F414 HydrophobicContact CD1-CZ 4.11Å; L235-F414 HydrophobicContact CD2-CE2 3.88Å; L235-F414 HydrophobicContact CD2-CZ 3.89Å; L238-F414 HydrophobicContact CD1-CE2 4.42Å; L238-F414 HydrophobicContact CD1-CZ 4.19Å; F414-S416 PolarHBondContact O-N 3.45Å; F414-T417 HydrophobicContact CD1-CG2 3.96Å; F414-T417 CarbonylContact O-C 3.53Å; F414-T417 WeakPolarHBondContact O-CA 3.34Å; F414-T417 VanDerWaalsContact O-CB 3.31Å; F414-T417 WeakPolarHBondContact O-CB 3.36Å; F414-T417 PolarHBondContact O-N 3.3Å; F414-C418 PolarHBondContact O-N 3.49Å
415E93.8Very high96.8Very high33 Ų3317 Ų1715%0.15410%0.102CC..Hα-helixtrans-56.6-45-173.7-60.4-51.8124.800114.5H413 C418 A419H413-E415 PolarHBondContact ND1-N 3.06Å; E415-C418 PolarHBondContact O-N 3.2Å; E415-A419 WeakPolarHBondContact O-CB 3.48Å; E415-A419 PolarHBondContact O-N 2.85Å
416S93.7Very high96.8Very high42 Ų4220.8 Ų20.829%0.29412%0.12SC..Hα-helixtrans-66.8-38.6173.956.10000112.2D409 F414 C418 A419 D420D409-S416 VanDerWaalsContact OD2-CB 3.31Å; D409-S416 WeakPolarHBondContact OD2-CB 3.19Å; D409-S416 PolarHBondContact OD2-OG 3.26Å; F414-S416 PolarHBondContact O-N 3.45Å; S416-C418 PolarHBondContact O-N 3.06Å; S416-A419 PolarHBondContact O-N 3.05Å; S416-D420 PolarHBondContact O-N 2.91Å
417T96.6Very high96.8Very high1 Ų120.3 Ų20.31%0.00611%0.114CC..Hα-helixtrans-61.1-43.8175.9-60.90000111.4K15 Y408 F414 D420 V421K15-T417 HydrophobicContact CD-CG2 4.32Å; K15-T417 HydrophobicContact CG-CG2 3.78Å; Y408-T417 HydrophobicContact CD1-CG2 4.39Å; Y408-T417 HydrophobicContact CE1-CG2 3.81Å; F414-T417 HydrophobicContact CD1-CG2 3.96Å; F414-T417 CarbonylContact O-C 3.53Å; F414-T417 WeakPolarHBondContact O-CA 3.34Å; F414-T417 VanDerWaalsContact O-CB 3.31Å; F414-T417 WeakPolarHBondContact O-CB 3.36Å; F414-T417 PolarHBondContact O-N 3.3Å; T417-D420 PolarHBondContact O-N 3.25Å; T417-V421 WeakPolarHBondContact O-CG2 3.1Å; T417-V421 PolarHBondContact O-N 3.33Å; T417-V421 VanDerWaalsContact O-N 3.11Å
418C96.6Very high96.7Very high0 Ų019.8 Ų19.80%011%0.109CC..Hα-helixtrans-72.5-34.4177.3-74.10000112.7K84 L85 F414 E415 S416 D420 V421 L422K84-C418 HydrophobicContact CB-CB 3.74Å; K84-C418 HydrophobicContact CD-CB 4.3Å; L85-C418 VanDerWaalsContact CA-SG 3.56Å; L85-C418 WeakPolarHBondContact CB-SG 3.14Å; L85-C418 PolarHBondContact N-SG 3.46Å; F414-C418 PolarHBondContact O-N 3.49Å; E415-C418 PolarHBondContact O-N 3.2Å; S416-C418 PolarHBondContact O-N 3.06Å; C418-D420 VanDerWaalsContact C-N 3.3Å; C418-D420 PolarHBondContact O-N 2.49Å; C418-V421 PolarHBondContact O-N 2.82Å; C418-L422 WeakPolarHBondContact O-CB 3.38Å; C418-L422 WeakPolarHBondContact O-CG 3.08Å; C418-L422 PolarHBondContact O-N 3.22Å
419A95.3Very high96.7Very high45 Ų4521.1 Ų21.137%0.37212%0.119SC..Hα-helixtrans-58.4-45.5172.600000110.9E415 S416 L422 D423E415-A419 WeakPolarHBondContact O-CB 3.48Å; E415-A419 PolarHBondContact O-N 2.85Å; S416-A419 PolarHBondContact O-N 3.05Å; A419-L422 PolarHBondContact O-N 3.38Å; A419-D423 WeakPolarHBondContact O-CB 3.11Å; A419-D423 PolarHBondContact O-N 3.04Å
420D98Very high96.6Very high21 Ų2123 Ų2311%0.11214%0.143CC..Hα-helixtrans-62.6-42.7176.8-167.766.5000112.8K15 S405 S406 S416 T417 C418 D423 L424K15-D420 HydrophobicContact CD-CB 4.49Å; K15-D420 VanDerWaalsContact CD-OD2 3.23Å; K15-D420 WeakPolarHBondContact CD-OD2 3.43Å; K15-D420 WeakPolarHBondContact CE-OD2 3.38Å; K15-D420 IonicContact NZ-OD2 2.87Å; K15-D420 PolarHBondContact NZ-OD2 3.39Å; S405-D420 WeakPolarHBondContact CB-OD2 3.46Å; S406-D420 PolarHBondContact N-OD2 2.81Å; S406-D420 PolarHBondContact OG-OD1 2.98Å; S406-D420 PolarHBondContact OG-OD2 2.96Å; S406-D420 VanDerWaalsContact OG-OD2 3.08Å; S416-D420 PolarHBondContact O-N 2.91Å; T417-D420 PolarHBondContact O-N 3.25Å; C418-D420 VanDerWaalsContact C-N 3.3Å; C418-D420 PolarHBondContact O-N 2.49Å; D420-D423 PolarHBondContact O-N 3.41Å; D420-L424 WeakPolarHBondContact O-CB 3.44Å; D420-L424 WeakPolarHBondContact O-CG 2.96Å; D420-L424 PolarHBondContact O-N 3.48Å
421V98.3Very high96.5Very high1 Ų128.7 Ų28.71%0.00617%0.167CC..Hα-helixtrans-61.8-44.6175.9168.20000112K15 I18 L19 T417 C418 Y425K15-V421 HydrophobicContact CB-CG2 3.71Å; K15-V421 HydrophobicContact CG-CG2 3.74Å; I18-V421 HydrophobicContact CB-CG1 4.18Å; I18-V421 HydrophobicContact CD1-CG1 4.5Å; I18-V421 HydrophobicContact CD1-CG2 4.26Å; I18-V421 HydrophobicContact CG2-CG1 3.59Å; L19-V421 HydrophobicContact CD2-CG1 4.35Å; L19-V421 HydrophobicContact CG-CG1 4.41Å; T417-V421 WeakPolarHBondContact O-CG2 3.1Å; T417-V421 PolarHBondContact O-N 3.33Å; T417-V421 VanDerWaalsContact O-N 3.11Å; C418-V421 PolarHBondContact O-N 2.82Å; V421-Y425 WeakPolarHBondContact O-CB 3.42Å; V421-Y425 PolarHBondContact O-N 2.92Å
422L97.7Very high96.4Very high29 Ų2932.4 Ų32.415%0.15219%0.191CC..Hα-helixtrans-69.5-39-178.5-65.8169.3000111.5K84 I88 C418 A419 Y425 E426 F433 L435K84-L422 HydrophobicContact CD-CD1 3.83Å; K84-L422 HydrophobicContact CG-CD1 4.44Å; I88-L422 HydrophobicContact CD1-CD2 4.41Å; C418-L422 WeakPolarHBondContact O-CB 3.38Å; C418-L422 WeakPolarHBondContact O-CG 3.08Å; C418-L422 PolarHBondContact O-N 3.22Å; A419-L422 PolarHBondContact O-N 3.38Å; L422-Y425 PolarHBondContact O-N 3.35Å; L422-E426 PolarHBondContact O-N 2.82Å; L422-F433 HydrophobicContact CD2-CB 3.78Å; L422-F433 HydrophobicContact CD2-CD1 3.77Å; L422-F433 HydrophobicContact CD2-CG 4.16Å; L422-L435 HydrophobicContact CD1-CD1 4.03Å; L422-L435 HydrophobicContact CD2-CD1 4.4Å; L422-L435 HydrophobicContact CD2-CG 4.5Å
423D97.9Very high96.3Very high74 Ų7433.4 Ų33.440%0.39620%0.195SC..Hα-helixtrans-61.7-49173172.479.8000111.7A419 D420 Y425 E426 R427A419-D423 WeakPolarHBondContact O-CB 3.11Å; A419-D423 PolarHBondContact O-N 3.04Å; D420-D423 PolarHBondContact O-N 3.41Å; D423-Y425 VanDerWaalsContact C-N 3.32Å; D423-Y425 PolarHBondContact O-N 2.87Å; D423-E426 PolarHBondContact O-N 2.84Å; D423-R427 WeakPolarHBondContact O-CG 3.5Å; D423-R427 PolarHBondContact O-N 3.5Å; D423-R427 IonicContact OD1-NE 2.82Å; D423-R427 IonicContact OD2-CZ 3.67Å; D423-R427 IonicContact OD2-NE 3.96Å; D423-R427 PolarHBondContact OD2-NE 2.75Å; D423-R427 IonicContact OD2-NH2 3.26Å; D423-R427 PolarHBondContact OD2-NH2 2.88Å
424L98.4Very high95.9Very high0 Ų041.2 Ų41.20%023%0.232CC..Hα-helixtrans-58.1-45.2175.4-81165.1000111.8L19 F403 D420 E426 R427 V428L19-L424 HydrophobicContact CD1-CB 3.71Å; L19-L424 HydrophobicContact CD1-CD1 3.63Å; L19-L424 HydrophobicContact CD1-CG 4.27Å; L19-L424 HydrophobicContact CD2-CB 4.16Å; F403-L424 HydrophobicContact CB-CD2 3.83Å; D420-L424 WeakPolarHBondContact O-CB 3.44Å; D420-L424 WeakPolarHBondContact O-CG 2.96Å; D420-L424 PolarHBondContact O-N 3.48Å; L424-E426 VanDerWaalsContact C-N 3.32Å; L424-E426 PolarHBondContact O-N 3.42Å; L424-R427 PolarHBondContact O-N 3.47Å; L424-V428 VanDerWaalsContact O-CB 3.3Å; L424-V428 WeakPolarHBondContact O-CB 3.44Å; L424-V428 WeakPolarHBondContact O-CG2 3.49Å; L424-V428 PolarHBondContact O-N 3.39Å
425Y98.3Very high95.2Very high13 Ų1343.4 Ų43.45%0.05124%0.243CC..Hα-helixtrans-57.5-46.9176.8176.7-83.1000111L22 M23 E26 V421 L422 D423 R427 V428 V429 K431 F433L22-Y425 HydrophobicContact CB-CD2 4.19Å; L22-Y425 HydrophobicContact CB-CE2 4.13Å; L22-Y425 HydrophobicContact CD1-CD2 3.75Å; L22-Y425 HydrophobicContact CD1-CE2 4.19Å; M23-Y425 HydrophobicContact CE-CD2 3.75Å; M23-Y425 HydrophobicContact CE-CE2 3.71Å; E26-Y425 WeakPolarHBondContact OE1-CE2 3.3Å; E26-Y425 PolarHBondContact OE1-OH 3.22Å; V421-Y425 WeakPolarHBondContact O-CB 3.42Å; V421-Y425 PolarHBondContact O-N 2.92Å; L422-Y425 PolarHBondContact O-N 3.35Å; D423-Y425 VanDerWaalsContact C-N 3.32Å; D423-Y425 PolarHBondContact O-N 2.87Å; Y425-R427 VanDerWaalsContact C-N 3.34Å; Y425-R427 PolarHBondContact O-N 3.06Å; Y425-V428 PolarHBondContact O-N 3.49Å; Y425-V429 HydrophobicContact CD1-CB 4.49Å; Y425-V429 HydrophobicContact CD1-CG2 4.3Å; Y425-V429 HydrophobicContact CD2-CG2 3.95Å; Y425-V429 HydrophobicContact CE1-CB 4.14Å; Y425-V429 HydrophobicContact CE1-CG1 4.42Å; Y425-V429 HydrophobicContact CE1-CG2 4.06Å; Y425-V429 HydrophobicContact CE2-CG2 3.66Å; Y425-V429 HydrophobicContact CG-CG2 4.26Å; Y425-V429 WeakPolarHBondContact O-CB 3.32Å; Y425-V429 WeakPolarHBondContact O-CG2 3.42Å; Y425-V429 PolarHBondContact O-N 2.87Å; Y425-K431 WeakPolarHBondContact CE1-O 3.31Å; Y425-F433 HydrophobicContact CD1-CB 3.53Å; Y425-F433 HydrophobicContact CD1-CD2 4.28Å; Y425-F433 HydrophobicContact CD1-CG 4.36Å; Y425-F433 HydrophobicContact CD2-CD2 4.28Å; Y425-F433 HydrophobicContact CE1-CB 3.64Å; Y425-F433 AromaticContact CE1-CD2 3.83Å; Y425-F433 HydrophobicContact CE1-CD2 3.83Å; Y425-F433 HydrophobicContact CE1-CG 4.24Å; Y425-F433 AromaticContact CE2-CD2 3.84Å; Y425-F433 HydrophobicContact CE2-CD2 3.84Å; Y425-F433 HydrophobicContact CE2-CE2 4.47Å; Y425-F433 HydrophobicContact CG-CB 4.09Å; Y425-F433 HydrophobicContact CG-CD2 4.48Å; Y425-F433 AromaticContact CZ-CD2 3.59Å
426E97.9Very high94Very high82 Ų8244.3 Ų44.338%0.38325%0.253SS..Hα-helixtrans-62.9-39.7178.9-179.1171.7176.100112.5L422 D423 L424 G430 K431L422-E426 PolarHBondContact O-N 2.82Å; D423-E426 PolarHBondContact O-N 2.84Å; L424-E426 VanDerWaalsContact C-N 3.32Å; L424-E426 PolarHBondContact O-N 3.42Å; E426-G430 WeakPolarHBondContact O-CA 3.22Å; E426-G430 PolarHBondContact O-N 2.99Å; E426-K431 WeakPolarHBondContact CA-O 3.23Å
427R97.7Very high92.2Very high15 Ų1551.9 Ų51.96%0.05728%0.281CS..Hα-helixtrans-68.9-37.7176.6-69.1-173.3-71.7127.8-10.4112.8D396 F403 D423 L424 Y425D396-R427 WeakPolarHBondContact O-CD 3Å; D396-R427 PolarHBondContact O-NH1 3.36Å; D396-R427 WeakPolarHBondContact OD2-CD 3.22Å; F403-R427 HydrophobicContact CD1-CB 4.06Å; F403-R427 HydrophobicContact CE1-CB 3.86Å; D423-R427 WeakPolarHBondContact O-CG 3.5Å; D423-R427 PolarHBondContact O-N 3.5Å; D423-R427 IonicContact OD1-NE 2.82Å; D423-R427 IonicContact OD2-CZ 3.67Å; D423-R427 IonicContact OD2-NE 3.96Å; D423-R427 PolarHBondContact OD2-NE 2.75Å; D423-R427 IonicContact OD2-NH2 3.26Å; D423-R427 PolarHBondContact OD2-NH2 2.88Å; L424-R427 PolarHBondContact O-N 3.47Å; Y425-R427 VanDerWaalsContact C-N 3.34Å; Y425-R427 PolarHBondContact O-N 3.06Å
428V97.3Very high90.4Very high12 Ų1253.5 Ų53.57%0.07329%0.289CS..Hα-helixtrans-71.1-50.7179.1166.10000111.7M23 M283 I285 F403 L424 Y425M23-V428 HydrophobicContact CE-CG1 4.22Å; M23-V428 HydrophobicContact SD-CG1 3.56Å; M23-V428 VanDerWaalsContact SD-CG1 3.56Å; M283-V428 HydrophobicContact SD-CG1 3.75Å; I285-V428 HydrophobicContact CD1-CG1 4.46Å; I285-V428 HydrophobicContact CD1-CG2 4.05Å; I285-V428 HydrophobicContact CG1-CG2 4.26Å; F403-V428 HydrophobicContact CB-CG2 3.98Å; F403-V428 HydrophobicContact CD1-CG2 3.7Å; F403-V428 HydrophobicContact CD2-CG2 3.67Å; F403-V428 HydrophobicContact CE1-CG2 4.05Å; F403-V428 HydrophobicContact CE2-CG2 4.02Å; F403-V428 HydrophobicContact CG-CG2 3.49Å; F403-V428 VanDerWaalsContact CG-CG2 3.49Å; F403-V428 HydrophobicContact CZ-CG2 4.2Å; L424-V428 VanDerWaalsContact O-CB 3.3Å; L424-V428 WeakPolarHBondContact O-CB 3.44Å; L424-V428 WeakPolarHBondContact O-CG2 3.49Å; L424-V428 PolarHBondContact O-N 3.39Å; Y425-V428 PolarHBondContact O-N 3.49Å
429V96.1Very high88.2Confident43 Ų4360.4 Ų60.426%0.26132%0.319SS..Hα-helixtrans-88.3-27.8-172.6-175.90000112M23 Y425 K431M23-V429 HydrophobicContact CE-CG2 3.32Å; M23-V429 HydrophobicContact SD-CG2 4.09Å; Y425-V429 HydrophobicContact CD1-CB 4.49Å; Y425-V429 HydrophobicContact CD1-CG2 4.3Å; Y425-V429 HydrophobicContact CD2-CG2 3.95Å; Y425-V429 HydrophobicContact CE1-CB 4.14Å; Y425-V429 HydrophobicContact CE1-CG1 4.42Å; Y425-V429 HydrophobicContact CE1-CG2 4.06Å; Y425-V429 HydrophobicContact CE2-CG2 3.66Å; Y425-V429 HydrophobicContact CG-CG2 4.26Å; Y425-V429 WeakPolarHBondContact O-CB 3.32Å; Y425-V429 WeakPolarHBondContact O-CG2 3.42Å; Y425-V429 PolarHBondContact O-N 2.87Å; V429-K431 HydrophobicContact CG1-CD 4.49Å; V429-K431 HydrophobicContact CG1-CG 3.95Å
430G94.9Very high85.7Confident59 Ų5966 Ų6661%0.60833%0.331SS*.SBendtrans8712.1-177.800000114.5E426E426-G430 WeakPolarHBondContact O-CA 3.22Å; E426-G430 PolarHBondContact O-N 2.99Å
431K94.8Very high83Confident123 Ų12372.8 Ų72.854%0.53536%0.356SS..SBendtrans-149.6151.4174.167.6-179.1-179.4172.70110.5Y425 E426 V429Y425-K431 WeakPolarHBondContact CE1-O 3.31Å; E426-K431 WeakPolarHBondContact CA-O 3.23Å; V429-K431 HydrophobicContact CG1-CD 4.49Å; V429-K431 HydrophobicContact CG1-CG 3.95Å
432P94.3Very high80.2Confident77 Ų7779.3 Ų79.350%0.539%0.386SS..  trans-63.8149.5178.126.8-35.5000111.6E434P432-E434 PolarHBondContact O-N 3.34Å
433F92.6Very high77.4Confident26 Ų2682.6 Ų82.611%0.11440%0.401CS..  trans-75.5120.4171.4-172.1-109.9000110.2L22 I88 H91 L422 Y425 L435L22-F433 HydrophobicContact CD1-CD2 4.39Å; L22-F433 HydrophobicContact CD1-CE2 4.22Å; L22-F433 HydrophobicContact CD2-CE2 3.71Å; L22-F433 HydrophobicContact CD2-CZ 3.85Å; I88-F433 HydrophobicContact CG1-CE1 4.36Å; H91-F433 AromaticContact CD2-CZ 3.54Å; H91-F433 AromaticContact CE1-CZ 3.99Å; H91-F433 AromaticContact CG-CZ 3.91Å; H91-F433 AromaticContact NE2-CE2 3.97Å; H91-F433 AromaticContact NE2-CZ 3.61Å; L422-F433 HydrophobicContact CD2-CB 3.78Å; L422-F433 HydrophobicContact CD2-CD1 3.77Å; L422-F433 HydrophobicContact CD2-CG 4.16Å; Y425-F433 HydrophobicContact CD1-CB 3.53Å; Y425-F433 HydrophobicContact CD1-CD2 4.28Å; Y425-F433 HydrophobicContact CD1-CG 4.36Å; Y425-F433 HydrophobicContact CD2-CD2 4.28Å; Y425-F433 HydrophobicContact CE1-CB 3.64Å; Y425-F433 AromaticContact CE1-CD2 3.83Å; Y425-F433 HydrophobicContact CE1-CD2 3.83Å; Y425-F433 HydrophobicContact CE1-CG 4.24Å; Y425-F433 AromaticContact CE2-CD2 3.84Å; Y425-F433 HydrophobicContact CE2-CD2 3.84Å; Y425-F433 HydrophobicContact CE2-CE2 4.47Å; Y425-F433 HydrophobicContact CG-CB 4.09Å; Y425-F433 HydrophobicContact CG-CD2 4.48Å; Y425-F433 AromaticContact CZ-CD2 3.59Å; F433-L435 HydrophobicContact CD1-CD2 3.66Å; F433-L435 HydrophobicContact CD1-CG 3.96Å; F433-L435 HydrophobicContact CE1-CD2 3.59Å; F433-L435 HydrophobicContact CE1-CG 4.31Å; F433-L435 PolarHBondContact O-N 2.83Å; F433-L435 VanDerWaalsContact O-N 3.15Å
434E87.8Confident74.7Confident169 Ų16983.6 Ų83.679%0.7941%0.409SS*.  trans-80.496.3177-69-176.6-167.800110.5P432 S436P432-E434 PolarHBondContact O-N 3.34Å; E434-S436 PolarHBondContact O-N 2.82Å
435L81.8Confident71.5Confident46 Ų4688.9 Ų88.924%0.24144%0.438CS..PPolyproline II helixtrans-66126.7170.7-67.9166.2000109.5K84 Q87 I88 L422 F433 K437K84-L435 HydrophobicContact CB-CD1 4.38Å; K84-L435 HydrophobicContact CG-CD1 4.11Å; Q87-L435 HydrophobicContact CB-CD2 3.87Å; I88-L435 HydrophobicContact CG1-CD2 3.68Å; L422-L435 HydrophobicContact CD1-CD1 4.03Å; L422-L435 HydrophobicContact CD2-CD1 4.4Å; L422-L435 HydrophobicContact CD2-CG 4.5Å; F433-L435 HydrophobicContact CD1-CD2 3.66Å; F433-L435 HydrophobicContact CD1-CG 3.96Å; F433-L435 HydrophobicContact CE1-CD2 3.59Å; F433-L435 HydrophobicContact CE1-CG 4.31Å; F433-L435 PolarHBondContact O-N 2.83Å; F433-L435 VanDerWaalsContact O-N 3.15Å; L435-K437 PolarHBondContact O-N 2.85Å
436S68.1Low68.4Low52 Ų5299 Ų9936%0.36449%0.486SS..PPolyproline II helixtrans-64.5137.2170.251.90000109.3E434 L438E434-S436 PolarHBondContact O-N 2.82Å; S436-L438 PolarHBondContact O-N 2.91Å; S436-L438 VanDerWaalsContact O-N 3.11Å
437K57Low66.9Low202 Ų20299.9 Ų99.988%0.87849%0.491SS*.PPolyproline II helixtrans-59.8119.3166.2-70.2-174.4178.6-178.20107.2L435 K439L435-K437 PolarHBondContact O-N 2.85Å; K437-K439 PolarHBondContact O-N 2.72Å
438L57.4Low65.3Low35 Ų35104.4 Ų104.418%0.18351%0.514CS..PPolyproline II helixtrans-59.2121.7166.7-74.1163000106.9V86 Q87 V90 S436 R440V86-L438 HydrophobicContact CG1-CD1 4.34Å; Q87-L438 HydrophobicContact CB-CD1 4.46Å; Q87-L438 HydrophobicContact CG-CD1 3.41Å; Q87-L438 VanDerWaalsContact CG-CD1 3.41Å; Q87-L438 HydrophobicContact CG-CG 3.75Å; V90-L438 HydrophobicContact CB-CD2 4.06Å; V90-L438 HydrophobicContact CG1-CD2 4.1Å; V90-L438 HydrophobicContact CG2-CD2 3.88Å; S436-L438 PolarHBondContact O-N 2.91Å; S436-L438 VanDerWaalsContact O-N 3.11Å; L438-R440 PolarHBondContact O-N 2.81Å
439K49.9Very low63.5Low145 Ų145109.5 Ų109.563%0.6354%0.538SS*.PPolyproline II helixtrans-53.5139172.6-72.1-168.8176.2-169.40109.4K437 E443 V444K437-K439 PolarHBondContact O-N 2.72Å; K439-E443 VanDerWaalsContact CA-OE2 3.26Å; K439-E443 WeakPolarHBondContact CA-OE2 3.33Å; K439-E443 HydrophobicContact CB-CB 4.17Å; K439-E443 WeakPolarHBondContact CB-OE2 3.44Å; K439-V444 HydrophobicContact CB-CG2 4.1Å
440R43.3Very low61.6Low162 Ų162113.4 Ų113.461%0.61155%0.554SS**PPolyproline II helixtrans-60.6150.3174.6-68-176.2-176.7-176.33.6108.8L438 E442 E443 V444L438-R440 PolarHBondContact O-N 2.81Å; R440-E442 HydrophobicContact CB-CB 4.46Å; R440-E442 PolarHBondContact O-N 3.34Å; R440-E442 VanDerWaalsContact O-N 3.09Å; R440-E443 HydrophobicContact CB-CG 4.17Å; R440-E443 PolarHBondContact N-OE2 3.11Å; R440-E443 VanDerWaalsContact N-OE2 3.15Å; R440-E443 WeakPolarHBondContact O-CB 3.42Å; R440-E443 PolarHBondContact O-N 3.46Å; R440-V444 PolarHBondContact O-N 3.32Å
441Y42.2Very low59.5Low164 Ų164116.8 Ų116.864%0.64355%0.551SS**G310 helixtrans-53.5-31.7173.8-176-96.3000112E443 V444 N445Y441-E443 VanDerWaalsContact C-N 3.34Å; Y441-E443 PolarHBondContact O-N 2.8Å; Y441-V444 PolarHBondContact O-N 2.91Å; Y441-N445 WeakPolarHBondContact CE1-ND2 3.05Å
442E39.1Very low57.1Low138 Ų138116.4 Ų116.465%0.64555%0.552SS**G310 helixtrans-64.5-31.9174.1-63.2170.8162.700113.1R440R440-E442 HydrophobicContact CB-CB 4.46Å; R440-E442 PolarHBondContact O-N 3.34Å; R440-E442 VanDerWaalsContact O-N 3.09Å
443E38.5Very low54.5Low98 Ų98119.2 Ų119.246%0.45856%0.556SS.*G310 helixtrans-86-6.1-179.2-65.3170.9177.700113.7K439 R440 Y441K439-E443 VanDerWaalsContact CA-OE2 3.26Å; K439-E443 WeakPolarHBondContact CA-OE2 3.33Å; K439-E443 HydrophobicContact CB-CB 4.17Å; K439-E443 WeakPolarHBondContact CB-OE2 3.44Å; R440-E443 HydrophobicContact CB-CG 4.17Å; R440-E443 PolarHBondContact N-OE2 3.11Å; R440-E443 VanDerWaalsContact N-OE2 3.15Å; R440-E443 WeakPolarHBondContact O-CB 3.42Å; R440-E443 PolarHBondContact O-N 3.46Å; Y441-E443 VanDerWaalsContact C-N 3.34Å; Y441-E443 PolarHBondContact O-N 2.8Å
444V40.4Very low51.6Low94 Ų94126.4 Ų126.457%0.5759%0.59SS**THydrogen-bonded Turntrans-96.5-17.7177.4-177.70000111.2K439 R440 Y441K439-V444 HydrophobicContact CB-CG2 4.1Å; R440-V444 PolarHBondContact O-N 3.32Å; Y441-V444 PolarHBondContact O-N 2.91Å
445N32.2Very low48.5Very low111 Ų111122.8 Ų122.859%0.59457%0.573SS**  trans-112.513.8179.8-68.9-36.9000113.6Y441Y441-N445 WeakPolarHBondContact CE1-ND2 3.05Å
446E32.6Very low45.5Very low227 Ų227129.8 Ų129.8100%1.06160%0.603SS**  trans-99.30156.3-72-174.1167.700109.2

Retrieved 446 of 446 residues in 126.8 ms (Link to these results)

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