G4LZ82_SCHMA Loading...

Zinc binding dehydrogenase, putative

AlphaFold DB , UniProt , Accession G4LZ82, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 434 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M64.2Low89.3Confident233 Ų23393.1 Ų93.1100%1.14846%0.459SS*.  0140.50-88.6176.8175.600108.8
2K78.5Confident90Very high131 Ų13187 Ų8757%0.5743%0.427SS*.PPolyproline II helixtrans-68.5131.8171.2-75.4-173.6-177.1-160.20109.1D111 I129K2-D111 WeakPolarHBondContact CE-OD1 2.92Å; K2-D111 IonicContact NZ-OD1 3.19Å; K2-D111 PolarHBondContact NZ-OD1 3.27Å; K2-D111 IonicContact NZ-OD2 3.96Å; K2-D111 PolarHBondContact NZ-OD2 2.6Å; K2-I129 HydrophobicContact CB-CD1 4.47Å; K2-I129 HydrophobicContact CG-CD1 3.55Å
3P84.2Confident90.4Very high59 Ų5981.8 Ų81.838%0.38340%0.401SS..PPolyproline II helixtrans-65.615217428.6-33.5000110.5L5 V110P3-L5 HydrophobicContact CG-CD2 4.36Å; P3-L5 PolarHBondContact O-N 2.61Å; P3-V110 WeakPolarHBondContact CD-O 3Å; P3-V110 HydrophobicContact CG-CB 3.84Å; P3-V110 HydrophobicContact CG-CG1 4.12Å
4K90.4Very high90.7Very high210 Ų21076 Ų7691%0.91337%0.372SS*.PPolyproline II helixtrans-69.5116.1170.6-172178.2-178.8-179.30108.5
5L93.1Very high90.9Very high57 Ų5777.1 Ų77.130%0.29838%0.378SS..PPolyproline II helixtrans-87.3139.6-178.7-63.6175.3000110.8P3 M37 L47 V110 Y152P3-L5 HydrophobicContact CG-CD2 4.36Å; P3-L5 PolarHBondContact O-N 2.61Å; L5-M37 HydrophobicContact CB-CE 4.18Å; L5-M37 HydrophobicContact CD2-CE 4.45Å; L5-L47 HydrophobicContact CD1-CD2 3.47Å; L5-L47 VanDerWaalsContact CD1-CD2 3.47Å; L5-L47 HydrophobicContact CD2-CD2 4.19Å; L5-L47 HydrophobicContact CG-CD2 4.48Å; L5-V110 HydrophobicContact CD2-CB 4.21Å; L5-V110 HydrophobicContact CD2-CG2 3.96Å; L5-Y152 HydrophobicContact CD2-CE1 4.28Å
6P93.5Very high91Very high55 Ų5575.3 Ų75.336%0.35738%0.375SS..PPolyproline II helixtrans-69.3155.5173.329.7-35.2000111.2T8 I9 M37 Y152P6-T8 WeakPolarHBondContact CB-O 3.16Å; P6-I9 HydrophobicContact CG-CG2 4.09Å; P6-M37 VanDerWaalsContact CD-CE 3.44Å; P6-M37 HydrophobicContact CG-CE 3.5Å; P6-M37 WeakPolarHBondContact O-CB 3.35Å; P6-M37 WeakPolarHBondContact O-CE 3.22Å; P6-Y152 HydrophobicContact CG-CE2 4.25Å
7K94.3Very high91.1Very high193 Ų19373.8 Ų73.884%0.83937%0.366SS*.SBendtrans-74.2-36177.6-69.6-175.5177.9-179.40112.2M37K7-M37 PolarHBondContact O-N 3.49Å; K7-M37 VanDerWaalsContact O-N 3.09Å
8T95.4Very high91.1Very high67 Ų6769.9 Ų69.941%0.41135%0.347SS..EExtended strand (participates in β ladder)trans-127.3156.217758.80000110.3P6 K33 R35P6-T8 WeakPolarHBondContact CB-O 3.16Å; T8-K33 PolarHBondContact OG1-O 3.01Å; T8-R35 CarbonylContact C-O 3.03Å; T8-R35 WeakPolarHBondContact CA-O 3.24Å; T8-R35 WeakPolarHBondContact CB-O 3.44Å
9I95.5Very high90.9Very high4 Ų470.1 Ų70.12%0.02135%0.354CS..EExtended strand (participates in β ladder)trans-135.5163.2-174.766.2170.4000109.9P6 K33 R35 M37 A150 E151 Y152P6-I9 HydrophobicContact CG-CG2 4.09Å; I9-K33 CarbonylContact O-C 3.51Å; I9-K33 VanDerWaalsContact O-C 3.27Å; I9-R35 HydrophobicContact CD1-CG 4.37Å; I9-R35 HydrophobicContact CG1-CB 3.96Å; I9-R35 HydrophobicContact CG1-CG 4.02Å; I9-R35 WeakPolarHBondContact CG1-O 3.45Å; I9-R35 PolarHBondContact N-O 3.18Å; I9-R35 PolarHBondContact O-N 3.37Å; I9-M37 HydrophobicContact CG2-CB 4.48Å; I9-M37 HydrophobicContact CG2-CE 3.39Å; I9-M37 HydrophobicContact CG2-SD 3.98Å; I9-A150 HydrophobicContact CD1-CB 4.35Å; I9-E151 WeakPolarHBondContact CA-OE2 3.25Å; I9-E151 HydrophobicContact CB-CB 4.32Å; I9-E151 WeakPolarHBondContact CB-OE2 3.45Å; I9-Y152 HydrophobicContact CB-CD2 4.11Å; I9-Y152 HydrophobicContact CD1-CD2 4.24Å; I9-Y152 HydrophobicContact CG2-CD2 3.47Å; I9-Y152 VanDerWaalsContact CG2-CD2 3.47Å; I9-Y152 HydrophobicContact CG2-CE2 3.86Å; I9-Y152 HydrophobicContact CG2-CG 4.39Å
10S96.5Very high90.5Very high15 Ų1572.2 Ų72.211%0.10537%0.372CS..EExtended strand (participates in β ladder)trans-80.3139.8169.3-45.30000111.6T32 A150 E151S10-T32 CarbonylContact C-O 3.42Å; S10-T32 WeakPolarHBondContact CA-O 3.42Å; S10-A150 WeakPolarHBondContact O-CA 3.44Å; S10-E151 VanDerWaalsContact CB-CD 3.44Å; S10-E151 WeakPolarHBondContact CB-OE1 3.21Å; S10-E151 VanDerWaalsContact N-CD 3.3Å; S10-E151 PolarHBondContact N-OE2 3.42Å; S10-E151 PolarHBondContact O-N 3.31Å; S10-E151 PolarHBondContact OG-OE1 3.11Å
11A96.8Very high89.8Confident0 Ų070.6 Ų70.60%037%0.374CS..EExtended strand (participates in β ladder)trans-156.3154.7175.700000111.7T32 R35 L149 A150A11-T32 HydrophobicContact CB-CG2 4.18Å; A11-T32 PolarHBondContact N-O 2.86Å; A11-T32 WeakPolarHBondContact O-CG2 3.48Å; A11-T32 PolarHBondContact O-N 3.17Å; A11-R35 HydrophobicContact CB-CB 4.04Å; A11-R35 HydrophobicContact CB-CG 4.11Å; A11-L149 WeakPolarHBondContact CA-O 3.39Å; A11-A150 HydrophobicContact CB-CB 3.73Å
12W97.5Very high90.8Very high20 Ų2060.4 Ų60.48%0.07633%0.327CS..EExtended strand (participates in β ladder)trans-94.8128161.1-70.988.1000109.2L29 H30 F31 T100 P101 L149 F408 S409 V411 P412W12-L29 HydrophobicContact CB-CD1 4.11Å; W12-L29 HydrophobicContact CE3-CD2 4.33Å; W12-L29 HydrophobicContact CE3-CG 3.9Å; W12-H30 WeakPolarHBondContact CA-O 3.24Å; W12-F31 AromaticContact CD1-CD2 3.97Å; W12-F31 HydrophobicContact CD2-CB 4.05Å; W12-F31 HydrophobicContact CD2-CD2 4.16Å; W12-F31 AromaticContact CE2-CD2 3.68Å; W12-F31 HydrophobicContact CE3-CB 3.98Å; W12-F31 HydrophobicContact CG-CD2 4.36Å; W12-F31 HydrophobicContact CH2-CB 3.86Å; W12-F31 HydrophobicContact CZ2-CB 3.87Å; W12-F31 HydrophobicContact CZ2-CD2 4.11Å; W12-F31 HydrophobicContact CZ2-CG 4.3Å; W12-F31 HydrophobicContact CZ3-CB 3.91Å; W12-F31 AromaticContact NE1-CD2 3.55Å; W12-T100 WeakPolarHBondContact O-CG2 3.5Å; W12-P101 WeakPolarHBondContact O-CD 3.17Å; W12-L149 HydrophobicContact CB-CB 4.15Å; W12-L149 PolarHBondContact N-O 2.69Å; W12-F408 AromaticContact CD1-CE2 3.69Å; W12-F408 AromaticContact CD1-CZ 3.71Å; W12-F408 PolarHBondContact NE1-O 2.97Å; W12-S409 WeakPolarHBondContact CZ2-O 3.13Å; W12-V411 HydrophobicContact CB-CG1 4.42Å; W12-V411 HydrophobicContact CD2-CB 3.88Å; W12-V411 HydrophobicContact CD2-CG1 4.06Å; W12-V411 HydrophobicContact CD2-CG2 4.41Å; W12-V411 HydrophobicContact CG-CB 4.01Å; W12-V411 HydrophobicContact CG-CG1 3.97Å; W12-V411 HydrophobicContact CG-CG2 4.13Å; W12-V411 HydrophobicContact CZ2-CB 4.07Å; W12-P412 HydrophobicContact CE3-CG 4.44Å; W12-P412 HydrophobicContact CH2-CG 3.48Å; W12-P412 VanDerWaalsContact CH2-CG 3.48Å; W12-P412 HydrophobicContact CZ2-CG 4.32Å; W12-P412 HydrophobicContact CZ3-CG 3.56Å
13Q95.7Very high91Very high20 Ų2059.5 Ų59.59%0.09333%0.332CS..EExtended strand (participates in β ladder)trans-145.7155.3-175.361.1-178.96.400112.2M15 H30 T32 P98 F99Q13-M15 HydrophobicContact CB-CE 4.48Å; Q13-M15 HydrophobicContact CG-CE 3.67Å; Q13-H30 PolarHBondContact N-O 3.43Å; Q13-H30 PolarHBondContact O-N 3.08Å; Q13-T32 VanDerWaalsContact CD-CG2 3.45Å; Q13-T32 HydrophobicContact CG-CG2 3.93Å; Q13-P98 HydrophobicContact CB-CB 4.36Å; Q13-P98 VanDerWaalsContact OE1-CB 3.28Å; Q13-F99 CarbonylContact C-O 3.58Å; Q13-F99 WeakPolarHBondContact CA-O 3.21Å
14L94.9Very high91.2Very high0 Ų060.9 Ų60.90%034%0.336CS..EExtended strand (participates in β ladder)trans-107.4148.6169.2-58.792.5000110.7S16 L18 E28 L29 V63 F97 P98 F99 P101L14-S16 WeakPolarHBondContact CB-O 3.29Å; L14-S16 WeakPolarHBondContact CD2-O 3.16Å; L14-L18 HydrophobicContact CD2-CG 4.45Å; L14-E28 WeakPolarHBondContact CA-O 2.91Å; L14-E28 HydrophobicContact CD2-CB 3.97Å; L14-L29 HydrophobicContact CD1-CD1 3.66Å; L14-L29 HydrophobicContact CG-CB 4.47Å; L14-L29 HydrophobicContact CG-CD1 4.09Å; L14-V63 HydrophobicContact CD1-CB 4.38Å; L14-V63 HydrophobicContact CD1-CG1 3.78Å; L14-V63 HydrophobicContact CD2-CB 3.89Å; L14-V63 HydrophobicContact CD2-CG1 4.19Å; L14-F97 HydrophobicContact CB-CE1 4.4Å; L14-F97 WeakPolarHBondContact O-CD1 3.08Å; L14-P98 WeakPolarHBondContact O-CA 3.08Å; L14-F99 HydrophobicContact CB-CB 4.36Å; L14-F99 HydrophobicContact CD1-CD1 3.65Å; L14-F99 HydrophobicContact CD1-CE1 4.36Å; L14-F99 PolarHBondContact N-O 2.92Å; L14-F99 PolarHBondContact O-N 3.19Å; L14-P101 HydrophobicContact CD1-CG 3.62Å
15M92.9Very high91.2Very high93 Ų9351.2 Ų51.246%0.45829%0.294SS..SBendtrans-105.8-19.1170.2-62.3-60.5146.500112.5Q13 F97 P98Q13-M15 HydrophobicContact CB-CE 4.48Å; Q13-M15 HydrophobicContact CG-CE 3.67Å; M15-F97 WeakPolarHBondContact O-CD2 2.97Å; M15-F97 VanDerWaalsContact O-CG 3.25Å; M15-F97 WeakPolarHBondContact O-CG 3.46Å; M15-P98 HydrophobicContact CE-CB 3.57Å; M15-P98 HydrophobicContact SD-CB 4.02Å
16S93.2Very high91.2Very high47 Ų4751.5 Ų51.533%0.32930%0.299SS..SBendtrans-143.1163.5166.184.60000109.6L14 E28 F97L14-S16 WeakPolarHBondContact CB-O 3.29Å; L14-S16 WeakPolarHBondContact CD2-O 3.16Å; S16-E28 WeakPolarHBondContact CB-OE2 3.4Å; S16-E28 PolarHBondContact N-OE2 2.84Å; S16-E28 PolarHBondContact OG-OE1 3.32Å; S16-E28 PolarHBondContact OG-OE2 3.24Å; S16-F97 VanDerWaalsContact CA-CZ 3.47Å
17F92.5Very high91.2Very high50 Ų5051.6 Ų51.622%0.21930%0.3CS..PPolyproline II helixtrans-74.4147.4173.1-65-57.6000109.8L62 V63 G65 D96 F97 F99F17-L62 WeakPolarHBondContact CD1-O 3.44Å; F17-L62 WeakPolarHBondContact CE1-O 3.14Å; F17-V63 WeakPolarHBondContact CA-O 3.42Å; F17-G65 VanDerWaalsContact CG-CA 3.45Å; F17-D96 HydrophobicContact CZ-CB 4.25Å; F17-F97 HydrophobicContact CD1-CE1 4.1Å; F17-F97 AromaticContact CD1-CZ 3.97Å; F17-F97 HydrophobicContact CD1-CZ 3.97Å; F17-F97 HydrophobicContact CD2-CE2 4.45Å; F17-F97 AromaticContact CD2-CZ 3.68Å; F17-F97 HydrophobicContact CD2-CZ 3.68Å; F17-F97 HydrophobicContact CE1-CE1 4.07Å; F17-F97 AromaticContact CE1-CZ 3.99Å; F17-F97 HydrophobicContact CE1-CZ 3.99Å; F17-F97 HydrophobicContact CE2-CE2 4.3Å; F17-F97 AromaticContact CE2-CZ 3.69Å; F17-F97 HydrophobicContact CE2-CZ 3.69Å; F17-F97 HydrophobicContact CG-CE1 4.35Å; F17-F97 AromaticContact CG-CZ 3.81Å; F17-F97 HydrophobicContact CG-CZ 3.81Å; F17-F97 HydrophobicContact CZ-CE1 4.29Å; F17-F97 AromaticContact CZ-CZ 3.84Å; F17-F97 HydrophobicContact CZ-CZ 3.84Å; F17-F99 HydrophobicContact CE1-CD2 4.3Å
18L91.5Very high91.2Very high4 Ų444.7 Ų44.72%0.02127%0.271CS..PPolyproline II helixtrans-58139.4171.9-71.3161.1000110.3L14 A22 I25 S27 E28 V63 Y64L14-L18 HydrophobicContact CD2-CG 4.45Å; L18-A22 HydrophobicContact CB-CB 4.32Å; L18-A22 HydrophobicContact CD2-CB 4.18Å; L18-I25 HydrophobicContact CD1-CB 4.36Å; L18-I25 HydrophobicContact CD1-CD1 4.31Å; L18-I25 HydrophobicContact CD1-CG1 3.79Å; L18-S27 WeakPolarHBondContact CD2-OG 3.49Å; L18-E28 HydrophobicContact CD2-CB 3.73Å; L18-E28 HydrophobicContact CD2-CG 3.88Å; L18-E28 HydrophobicContact CG-CB 4.13Å; L18-E28 HydrophobicContact CG-CG 4.41Å; L18-V63 HydrophobicContact CD1-CB 3.94Å; L18-V63 HydrophobicContact CD1-CG2 3.68Å; L18-V63 PolarHBondContact N-O 2.86Å; L18-Y64 HydrophobicContact CB-CD1 3.47Å; L18-Y64 VanDerWaalsContact CB-CD1 3.47Å; L18-Y64 HydrophobicContact CB-CE1 3.63Å; L18-Y64 HydrophobicContact CB-CG 4.05Å; L18-Y64 HydrophobicContact CD1-CD1 4.27Å; L18-Y64 HydrophobicContact CD1-CD2 4.31Å; L18-Y64 HydrophobicContact CD1-CE1 3.9Å; L18-Y64 HydrophobicContact CD1-CE2 3.93Å; L18-Y64 HydrophobicContact CD1-CG 4.45Å; L18-Y64 HydrophobicContact CG-CE1 4.37Å
19P87.2Confident91.2Very high74 Ų7441.6 Ų41.648%0.48125%0.252SS..PPolyproline II helixtrans-64.814917325.6-29.5000110.2G21 A22 Y64P19-G21 PolarHBondContact O-N 3.18Å; P19-A22 HydrophobicContact CG-CB 4.08Å; P19-A22 WeakPolarHBondContact O-CB 3.47Å; P19-A22 PolarHBondContact O-N 3.25Å; P19-A22 VanDerWaalsContact O-N 3.08Å; P19-Y64 WeakPolarHBondContact O-CD1 3.45Å
20P81.4Confident91.2Very high111 Ų11145.3 Ų45.372%0.72127%0.269SS*.THydrogen-bonded Turntrans-52.5129.5177-26.734.5000112A22P20-A22 VanDerWaalsContact C-N 3.33Å; P20-A22 PolarHBondContact O-N 3.47Å
21G76.5Confident91.2Very high40 Ų4048.6 Ų48.641%0.41228%0.282SS..THydrogen-bonded Turntrans79.84.717900000115.6P19 V23P19-G21 PolarHBondContact O-N 3.18Å; G21-V23 PolarHBondContact O-N 3.32Å
22A84.8Confident91.2Very high19 Ų1949.5 Ų49.516%0.15729%0.287CS..  trans-55.3131.8169.900000110.2L18 P19 P20 Y64L18-A22 HydrophobicContact CB-CB 4.32Å; L18-A22 HydrophobicContact CD2-CB 4.18Å; P19-A22 HydrophobicContact CG-CB 4.08Å; P19-A22 WeakPolarHBondContact O-CB 3.47Å; P19-A22 PolarHBondContact O-N 3.25Å; P19-A22 VanDerWaalsContact O-N 3.08Å; P20-A22 VanDerWaalsContact C-N 3.33Å; P20-A22 PolarHBondContact O-N 3.47Å; A22-Y64 HydrophobicContact CB-CE1 4Å; A22-Y64 PolarHBondContact O-OH 2.8Å
23V82.3Confident91.1Very high111 Ų11155.5 Ų55.567%0.67331%0.314SS*.SBendtrans-94.3-36.7177.7-1780000110.5G21 I25G21-V23 PolarHBondContact O-N 3.32Å; V23-I25 PolarHBondContact O-N 3.01Å
24D89Confident91Very high89 Ų8959.5 Ų59.548%0.47634%0.34SS..  trans-91102.8178.5-177.87000110.9T26 S27D24-T26 PolarHBondContact O-N 3.47Å; D24-T26 WeakPolarHBondContact OD1-CB 3.46Å; D24-T26 PolarHBondContact OD1-N 3.2Å; D24-T26 PolarHBondContact OD1-OG1 2.91Å; D24-T26 PolarHBondContact OD2-OG1 3.3Å; D24-T26 VanDerWaalsContact OD2-OG1 3.1Å; D24-S27 WeakPolarHBondContact O-CB 3.27Å; D24-S27 PolarHBondContact O-N 2.94Å; D24-S27 PolarHBondContact O-OG 3.24Å
25I90.9Very high90.9Very high7 Ų761.5 Ų61.54%0.03635%0.347CS..G310 helixtrans-62.7-23.7176.9-170.4158.2000112.9L18 V23 S27 E28 L29 V63 P412 F415L18-I25 HydrophobicContact CD1-CB 4.36Å; L18-I25 HydrophobicContact CD1-CD1 4.31Å; L18-I25 HydrophobicContact CD1-CG1 3.79Å; V23-I25 PolarHBondContact O-N 3.01Å; I25-S27 PolarHBondContact O-N 2.84Å; I25-E28 PolarHBondContact O-N 3.07Å; I25-L29 HydrophobicContact CD1-CD2 3.81Å; I25-L29 HydrophobicContact CG1-CB 3.73Å; I25-L29 HydrophobicContact CG1-CD2 3.83Å; I25-L29 HydrophobicContact CG1-CG 4.42Å; I25-L29 WeakPolarHBondContact O-CB 3.47Å; I25-L29 PolarHBondContact O-N 2.86Å; I25-V63 HydrophobicContact CD1-CG2 4.01Å; I25-P412 HydrophobicContact CG2-CB 3.96Å; I25-F415 HydrophobicContact CD1-CB 3.74Å; I25-F415 HydrophobicContact CD1-CD1 3.51Å; I25-F415 HydrophobicContact CD1-CD2 3.86Å; I25-F415 HydrophobicContact CD1-CE1 3.99Å; I25-F415 HydrophobicContact CD1-CE2 4.31Å; I25-F415 HydrophobicContact CD1-CG 3.44Å; I25-F415 VanDerWaalsContact CD1-CG 3.44Å; I25-F415 HydrophobicContact CD1-CZ 4.37Å; I25-F415 HydrophobicContact CG2-CB 4.48Å
26T93.4Very high90.9Very high63 Ų6366.3 Ų66.339%0.38736%0.36SS..G310 helixtrans-73.4-9.9-177.372.10000113.5D24 E28 H30 P412D24-T26 PolarHBondContact O-N 3.47Å; D24-T26 WeakPolarHBondContact OD1-CB 3.46Å; D24-T26 PolarHBondContact OD1-N 3.2Å; D24-T26 PolarHBondContact OD1-OG1 2.91Å; D24-T26 PolarHBondContact OD2-OG1 3.3Å; D24-T26 VanDerWaalsContact OD2-OG1 3.1Å; T26-E28 PolarHBondContact O-N 2.97Å; T26-H30 PolarHBondContact O-CE1 3.31Å; T26-P412 HydrophobicContact CG2-CB 3.63Å; T26-P412 HydrophobicContact CG2-CG 3.73Å
27S93.1Very high90.9Very high56 Ų5664.9 Ų64.939%0.39235%0.349SS..G310 helixtrans-58.2-33.1170.556.10000112.9L18 D24 I25 H30L18-S27 WeakPolarHBondContact CD2-OG 3.49Å; D24-S27 WeakPolarHBondContact O-CB 3.27Å; D24-S27 PolarHBondContact O-N 2.94Å; D24-S27 PolarHBondContact O-OG 3.24Å; I25-S27 PolarHBondContact O-N 2.84Å; S27-H30 PolarHBondContact O-CE1 2.64Å
28E94.3Very high90.9Very high48 Ų4863.3 Ų63.322%0.22434%0.343CS..THydrogen-bonded Turntrans-128.5-22.3178.7-66.6-63.6149.700114.2L14 S16 L18 I25 T26 H30L14-E28 WeakPolarHBondContact CA-O 2.91Å; L14-E28 HydrophobicContact CD2-CB 3.97Å; S16-E28 WeakPolarHBondContact CB-OE2 3.4Å; S16-E28 PolarHBondContact N-OE2 2.84Å; S16-E28 PolarHBondContact OG-OE1 3.32Å; S16-E28 PolarHBondContact OG-OE2 3.24Å; L18-E28 HydrophobicContact CD2-CB 3.73Å; L18-E28 HydrophobicContact CD2-CG 3.88Å; L18-E28 HydrophobicContact CG-CB 4.13Å; L18-E28 HydrophobicContact CG-CG 4.41Å; I25-E28 PolarHBondContact O-N 3.07Å; T26-E28 PolarHBondContact O-N 2.97Å; E28-H30 PolarHBondContact O-CD2 3.13Å; E28-H30 PolarHBondContact O-N 3.44Å; E28-H30 PolarHBondContact O-NE2 3.11Å
29L95.9Very high90.8Very high2 Ų268.7 Ų68.71%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-86.4105.9177.5-174.867.5000110.3W12 L14 I25 P101 V411 F415W12-L29 HydrophobicContact CB-CD1 4.11Å; W12-L29 HydrophobicContact CE3-CD2 4.33Å; W12-L29 HydrophobicContact CE3-CG 3.9Å; L14-L29 HydrophobicContact CD1-CD1 3.66Å; L14-L29 HydrophobicContact CG-CB 4.47Å; L14-L29 HydrophobicContact CG-CD1 4.09Å; I25-L29 HydrophobicContact CD1-CD2 3.81Å; I25-L29 HydrophobicContact CG1-CB 3.73Å; I25-L29 HydrophobicContact CG1-CD2 3.83Å; I25-L29 HydrophobicContact CG1-CG 4.42Å; I25-L29 WeakPolarHBondContact O-CB 3.47Å; I25-L29 PolarHBondContact O-N 2.86Å; L29-P101 HydrophobicContact CD1-CG 3.89Å; L29-V411 HydrophobicContact CD2-CG1 4Å; L29-F415 HydrophobicContact CD2-CD2 3.85Å; L29-F415 HydrophobicContact CD2-CE2 3.7Å; L29-F415 HydrophobicContact CD2-CZ 4.49Å
30H96Very high91Very high82 Ų8267.3 Ų67.338%0.3836%0.36SS..EExtended strand (participates in β ladder)trans-114.3141.1-174.9-52-62.3000112.5W12 Q13 T26 S27 E28W12-H30 WeakPolarHBondContact CA-O 3.24Å; Q13-H30 PolarHBondContact N-O 3.43Å; Q13-H30 PolarHBondContact O-N 3.08Å; T26-H30 PolarHBondContact O-CE1 3.31Å; S27-H30 PolarHBondContact O-CE1 2.64Å; E28-H30 PolarHBondContact O-CD2 3.13Å; E28-H30 PolarHBondContact O-N 3.44Å; E28-H30 PolarHBondContact O-NE2 3.11Å
31F96.5Very high91.3Very high85 Ų8566.6 Ų66.637%0.37335%0.354SS..EExtended strand (participates in β ladder)trans-79.8131.2167.5-176.3-107.6000110.2W12 K33 F408W12-F31 AromaticContact CD1-CD2 3.97Å; W12-F31 HydrophobicContact CD2-CB 4.05Å; W12-F31 HydrophobicContact CD2-CD2 4.16Å; W12-F31 AromaticContact CE2-CD2 3.68Å; W12-F31 HydrophobicContact CE3-CB 3.98Å; W12-F31 HydrophobicContact CG-CD2 4.36Å; W12-F31 HydrophobicContact CH2-CB 3.86Å; W12-F31 HydrophobicContact CZ2-CB 3.87Å; W12-F31 HydrophobicContact CZ2-CD2 4.11Å; W12-F31 HydrophobicContact CZ2-CG 4.3Å; W12-F31 HydrophobicContact CZ3-CB 3.91Å; W12-F31 AromaticContact NE1-CD2 3.55Å; F31-K33 HydrophobicContact CE1-CD 4.44Å; F31-K33 HydrophobicContact CE1-CG 3.83Å; F31-K33 HydrophobicContact CZ-CG 4.28Å; F31-F408 AromaticContact CE2-CD1 3.94Å; F31-F408 HydrophobicContact CE2-CD1 3.94Å; F31-F408 AromaticContact CE2-CE1 3.76Å; F31-F408 HydrophobicContact CE2-CE1 3.76Å
32T95.5Very high91.9Very high18 Ų1866.8 Ų66.811%0.1134%0.342CS..EExtended strand (participates in β ladder)trans-127.6152.1174.3-176.30000110.8S10 A11 Q13 T34 R35S10-T32 CarbonylContact C-O 3.42Å; S10-T32 WeakPolarHBondContact CA-O 3.42Å; A11-T32 HydrophobicContact CB-CG2 4.18Å; A11-T32 PolarHBondContact N-O 2.86Å; A11-T32 WeakPolarHBondContact O-CG2 3.48Å; A11-T32 PolarHBondContact O-N 3.17Å; Q13-T32 VanDerWaalsContact CD-CG2 3.45Å; Q13-T32 HydrophobicContact CG-CG2 3.93Å; T32-T34 PolarHBondContact OG1-N 3Å; T32-T34 PolarHBondContact OG1-OG1 3.27Å; T32-R35 HydrophobicContact CG2-CB 3.91Å
33K95.4Very high92.3Very high146 Ų14668.9 Ų68.964%0.63535%0.354SS*.EExtended strand (participates in β ladder)trans-109.92.3167.2-62.1-173.3178-173.60112.9T8 I9 F31T8-K33 PolarHBondContact OG1-O 3.01Å; I9-K33 CarbonylContact O-C 3.51Å; I9-K33 VanDerWaalsContact O-C 3.27Å; F31-K33 HydrophobicContact CE1-CD 4.44Å; F31-K33 HydrophobicContact CE1-CG 3.83Å; F31-K33 HydrophobicContact CZ-CG 4.28Å
34T94.5Very high92.8Very high104 Ų10464.7 Ų64.764%0.63833%0.328SS*.EExtended strand (participates in β ladder)trans-110.88.7-172.261.10000112.8T32 R36T32-T34 PolarHBondContact OG1-N 3Å; T32-T34 PolarHBondContact OG1-OG1 3.27Å; T34-R36 PolarHBondContact O-N 3.24Å
35R92.9Very high93Very high43 Ų4361 Ų6116%0.16231%0.308CS..EExtended strand (participates in β ladder)trans-60.7125174.6179.360.3175.4150.7-3.7108.5T8 I9 A11 T32 M37T8-R35 CarbonylContact C-O 3.03Å; T8-R35 WeakPolarHBondContact CA-O 3.24Å; T8-R35 WeakPolarHBondContact CB-O 3.44Å; I9-R35 HydrophobicContact CD1-CG 4.37Å; I9-R35 HydrophobicContact CG1-CB 3.96Å; I9-R35 HydrophobicContact CG1-CG 4.02Å; I9-R35 WeakPolarHBondContact CG1-O 3.45Å; I9-R35 PolarHBondContact N-O 3.18Å; I9-R35 PolarHBondContact O-N 3.37Å; A11-R35 HydrophobicContact CB-CB 4.04Å; A11-R35 HydrophobicContact CB-CG 4.11Å; T32-R35 HydrophobicContact CG2-CB 3.91Å; R35-M37 PolarHBondContact O-N 3.25Å
36R92.8Very high93.3Very high194 Ų19460.7 Ų60.773%0.73231%0.306SS*.EExtended strand (participates in β ladder)trans-60.6138.4175-70.9-173.9-75180-3.9110.1T34T34-R36 PolarHBondContact O-N 3.24Å
37M93.1Very high93.4Very high17 Ų1757.9 Ų57.98%0.08429%0.289CS..PPolyproline II helixtrans-52.8126.3172.8178.562.974.500109.8L5 P6 K7 I9 R35 L47 Y152L5-M37 HydrophobicContact CB-CE 4.18Å; L5-M37 HydrophobicContact CD2-CE 4.45Å; P6-M37 VanDerWaalsContact CD-CE 3.44Å; P6-M37 HydrophobicContact CG-CE 3.5Å; P6-M37 WeakPolarHBondContact O-CB 3.35Å; P6-M37 WeakPolarHBondContact O-CE 3.22Å; K7-M37 PolarHBondContact O-N 3.49Å; K7-M37 VanDerWaalsContact O-N 3.09Å; I9-M37 HydrophobicContact CG2-CB 4.48Å; I9-M37 HydrophobicContact CG2-CE 3.39Å; I9-M37 HydrophobicContact CG2-SD 3.98Å; R35-M37 PolarHBondContact O-N 3.25Å; M37-L47 HydrophobicContact SD-CD1 4.32Å; M37-L47 HydrophobicContact SD-CD2 4.18Å; M37-Y152 HydrophobicContact CE-CD1 3.98Å; M37-Y152 HydrophobicContact CE-CD2 3.7Å; M37-Y152 HydrophobicContact CE-CE1 4.07Å; M37-Y152 HydrophobicContact CE-CE2 3.81Å; M37-Y152 HydrophobicContact CE-CG 3.8Å; M37-Y152 HydrophobicContact SD-CD1 4Å; M37-Y152 HydrophobicContact SD-CD2 4.08Å; M37-Y152 HydrophobicContact SD-CG 3.69Å
38P92.6Very high93.6Very high16 Ų1655.2 Ų55.210%0.10427%0.27CS..PPolyproline II helixtrans-68.4140.5174.230.4-36.2000109.8L47 V154P38-L47 HydrophobicContact CG-CD1 3.95Å; P38-L47 WeakPolarHBondContact O-CD1 3.42Å; P38-V154 HydrophobicContact CB-CB 4.5Å; P38-V154 HydrophobicContact CB-CG2 3.69Å; P38-V154 HydrophobicContact CG-CG2 4.08Å
39N89.2Confident93.8Very high117 Ų11755.3 Ų55.363%0.62627%0.27SS*.  trans-106.1148.7-178.7-67.7-35.8000110.5T41N39-T41 PolarHBondContact O-N 3Å
40I91.5Very high93.9Very high46 Ų4655.2 Ų55.224%0.23627%0.269CS..  trans-65.7112.8165-68.6-178.6000107.8R42 Q45 L47 D111 I112I40-R42 WeakPolarHBondContact CG2-O 3.23Å; I40-Q45 HydrophobicContact CG1-CB 4.4Å; I40-Q45 HydrophobicContact CG2-CB 4.13Å; I40-L47 HydrophobicContact CD1-CB 4.23Å; I40-L47 HydrophobicContact CG1-CB 4.2Å; I40-D111 HydrophobicContact CD1-CB 3.88Å; I40-I112 VanDerWaalsContact CD1-C 3.5Å
41T88.4Confident94Very high95 Ų9554.9 Ų54.958%0.58327%0.267SS*.  trans-101.6-15.517660.10000112.2N39 Q45 G85N39-T41 PolarHBondContact O-N 3Å; T41-Q45 PolarHBondContact OG1-OE1 2.98Å; T41-G85 PolarHBondContact OG1-O 2.82Å
42R88Confident94.1Very high45 Ų4550.8 Ų50.817%0.1725%0.249CC..SBendtrans-124.1150.4-179.4-6616355.6176.1-0.3112.4I40 D44 Q45 F84I40-R42 WeakPolarHBondContact CG2-O 3.23Å; R42-D44 VanDerWaalsContact CB-OD1 3.24Å; R42-D44 WeakPolarHBondContact CB-OD1 3.49Å; R42-D44 IonicContact CZ-OD1 3.7Å; R42-D44 VanDerWaalsContact CZ-OD1 3.31Å; R42-D44 IonicContact CZ-OD2 2.76Å; R42-D44 IonicContact NE-OD1 2.92Å; R42-D44 PolarHBondContact NE-OD1 3.5Å; R42-D44 IonicContact NE-OD2 2.85Å; R42-D44 VanDerWaalsContact NH2-CG 3.28Å; R42-D44 IonicContact NH2-OD1 3.83Å; R42-D44 PolarHBondContact NH2-OD1 3.09Å; R42-D44 VanDerWaalsContact NH2-OD1 3.14Å; R42-D44 IonicContact NH2-OD2 3.35Å; R42-D44 PolarHBondContact NH2-OD2 2.78Å; R42-D44 PolarHBondContact O-N 3.09Å; R42-Q45 HydrophobicContact CB-CG 3.97Å; R42-Q45 PolarHBondContact O-N 3.06Å; R42-F84 VanDerWaalsContact CD-O 3.23Å; R42-F84 WeakPolarHBondContact CD-O 3.36Å; R42-F84 PolarHBondContact NH1-O 3.2Å
43P92.7Very high94.2Very high62 Ų6250 Ų5040%0.40324%0.244SC..THydrogen-bonded Turntrans-69.6-17.1-177.731.9-39000113.6G113 S114 K115 V116P43-G113 CarbonylContact O-C 3.57Å; P43-G113 VanDerWaalsContact O-CA 3.24Å; P43-G113 WeakPolarHBondContact O-CA 3.49Å; P43-S114 WeakPolarHBondContact CB-OG 3.25Å; P43-S114 PolarHBondContact O-N 3.37Å; P43-K115 HydrophobicContact CB-CB 3.82Å; P43-K115 HydrophobicContact CG-CB 4.37Å; P43-K115 WeakPolarHBondContact O-CA 3.41Å; P43-K115 VanDerWaalsContact O-CB 3.27Å; P43-K115 WeakPolarHBondContact O-CB 3.23Å; P43-K115 PolarHBondContact O-N 2.89Å; P43-V116 PolarHBondContact O-N 3.49Å
44D92.5Very high94.4Very high24 Ų2443 Ų4313%0.12821%0.213CC..THydrogen-bonded Turntrans-97.86.2-179.670.4-50.7000114.3R42 K115 A157R42-D44 VanDerWaalsContact CB-OD1 3.24Å; R42-D44 WeakPolarHBondContact CB-OD1 3.49Å; R42-D44 IonicContact CZ-OD1 3.7Å; R42-D44 VanDerWaalsContact CZ-OD1 3.31Å; R42-D44 IonicContact CZ-OD2 2.76Å; R42-D44 IonicContact NE-OD1 2.92Å; R42-D44 PolarHBondContact NE-OD1 3.5Å; R42-D44 IonicContact NE-OD2 2.85Å; R42-D44 VanDerWaalsContact NH2-CG 3.28Å; R42-D44 IonicContact NH2-OD1 3.83Å; R42-D44 PolarHBondContact NH2-OD1 3.09Å; R42-D44 VanDerWaalsContact NH2-OD1 3.14Å; R42-D44 IonicContact NH2-OD2 3.35Å; R42-D44 PolarHBondContact NH2-OD2 2.78Å; R42-D44 PolarHBondContact O-N 3.09Å; D44-K115 HydrophobicContact CB-CD 4.17Å; D44-A157 WeakPolarHBondContact O-CB 3.46Å; D44-A157 PolarHBondContact O-N 3.22Å
45Q94.4Very high94.5Very high12 Ų1238 Ų386%0.05618%0.183CC..EExtended strand (participates in β ladder)trans-90.1160.4-179.5-79.7170.7-22.200113.1I40 T41 R42 G113 V154 C155I40-Q45 HydrophobicContact CG1-CB 4.4Å; I40-Q45 HydrophobicContact CG2-CB 4.13Å; T41-Q45 PolarHBondContact OG1-OE1 2.98Å; R42-Q45 HydrophobicContact CB-CG 3.97Å; R42-Q45 PolarHBondContact O-N 3.06Å; Q45-G113 PolarHBondContact O-N 3.36Å; Q45-V154 HydrophobicContact CB-CG1 3.93Å; Q45-V154 HydrophobicContact CG-CG1 3.76Å; Q45-C155 CarbonylContact C-O 3.51Å; Q45-C155 WeakPolarHBondContact CA-O 3.47Å
46L96.2Very high94.6Very high0 Ų036.3 Ų36.30%018%0.177CC..EExtended strand (participates in β ladder)trans-120.3145.4169.3-57.9170.4000108.4I48 I109 I112 V116 L127 V154 C155 A157 V160L46-I48 HydrophobicContact CB-CD1 3.92Å; L46-I48 HydrophobicContact CB-CG1 4.05Å; L46-I48 HydrophobicContact CD1-CD1 4.31Å; L46-I109 HydrophobicContact CD1-CD1 4.08Å; L46-I109 HydrophobicContact CD1-CG1 4.47Å; L46-I109 HydrophobicContact CD2-CD1 4.14Å; L46-I109 HydrophobicContact CD2-CG2 4.25Å; L46-I112 HydrophobicContact CD2-CB 4.15Å; L46-I112 HydrophobicContact CD2-CG2 3.62Å; L46-V116 HydrophobicContact CD2-CB 4.47Å; L46-V116 HydrophobicContact CD2-CG1 3.89Å; L46-V116 HydrophobicContact CD2-CG2 4.24Å; L46-L127 HydrophobicContact CD1-CD1 4.38Å; L46-V154 WeakPolarHBondContact O-CA 3.34Å; L46-C155 PolarHBondContact N-O 2.8Å; L46-C155 PolarHBondContact O-N 3.12Å; L46-A157 HydrophobicContact CD1-CB 4.26Å; L46-A157 HydrophobicContact CG-CB 4.27Å; L46-V160 HydrophobicContact CD1-CB 4.4Å; L46-V160 HydrophobicContact CD1-CG1 4.29Å; L46-V160 HydrophobicContact CD1-CG2 3.31Å
47L97Very high94.5Very high3 Ų329.7 Ų29.72%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-101.2126.4161.9-176.865.4000108.2L5 M37 P38 I40 V110 D111 V154L5-L47 HydrophobicContact CD1-CD2 3.47Å; L5-L47 VanDerWaalsContact CD1-CD2 3.47Å; L5-L47 HydrophobicContact CD2-CD2 4.19Å; L5-L47 HydrophobicContact CG-CD2 4.48Å; M37-L47 HydrophobicContact SD-CD1 4.32Å; M37-L47 HydrophobicContact SD-CD2 4.18Å; P38-L47 HydrophobicContact CG-CD1 3.95Å; P38-L47 WeakPolarHBondContact O-CD1 3.42Å; I40-L47 HydrophobicContact CD1-CB 4.23Å; I40-L47 HydrophobicContact CG1-CB 4.2Å; L47-V110 HydrophobicContact CB-CG2 4.09Å; L47-V110 HydrophobicContact CD2-CG2 3.84Å; L47-V110 HydrophobicContact CG-CG2 3.64Å; L47-V110 WeakPolarHBondContact O-CG2 3.25Å; L47-V110 PolarHBondContact O-N 3.44Å; L47-D111 HydrophobicContact CB-CB 3.76Å; L47-D111 HydrophobicContact CD2-CB 4.22Å; L47-D111 PolarHBondContact N-O 2.8Å; L47-D111 PolarHBondContact O-N 2.85Å; L47-V154 HydrophobicContact CD1-CG2 3.66Å
48I97.5Very high94.4Very high0 Ų029.2 Ų29.20%016%0.157CC..EExtended strand (participates in β ladder)trans-125.8129-171.5-64.5150.1000108.8L46 V50 F105 Q108 I109 V133 Y152 I153 C155 V160L46-I48 HydrophobicContact CB-CD1 3.92Å; L46-I48 HydrophobicContact CB-CG1 4.05Å; L46-I48 HydrophobicContact CD1-CD1 4.31Å; I48-V50 PolarHBondContact O-N 3.31Å; I48-F105 HydrophobicContact CD1-CE2 3.66Å; I48-F105 HydrophobicContact CD1-CZ 3.95Å; I48-F105 HydrophobicContact CG2-CD2 4.27Å; I48-F105 HydrophobicContact CG2-CE2 4.29Å; I48-Q108 CarbonylContact C-O 3.52Å; I48-Q108 WeakPolarHBondContact CA-O 3.21Å; I48-I109 HydrophobicContact CG1-CG1 4.31Å; I48-V133 HydrophobicContact CD1-CG2 4.06Å; I48-V133 HydrophobicContact CG1-CG2 4.09Å; I48-V133 HydrophobicContact CG2-CG2 4.12Å; I48-Y152 VanDerWaalsContact O-CA 3.25Å; I48-Y152 WeakPolarHBondContact O-CA 3.19Å; I48-I153 HydrophobicContact CB-CG2 3.85Å; I48-I153 HydrophobicContact CG2-CG2 4.26Å; I48-I153 PolarHBondContact N-O 3.06Å; I48-I153 PolarHBondContact O-N 3.06Å; I48-C155 HydrophobicContact CD1-CB 4.04Å; I48-V160 HydrophobicContact CD1-CG1 4.07Å
49K97.3Very high94.5Very high50 Ų5028.5 Ų28.522%0.21715%0.152CC..EExtended strand (participates in β ladder)trans-79.9112168.1-175173.1-175.2172.80108.5G107 Q108 V110 E151 Y152 N433K49-G107 CarbonylContact O-C 3.47Å; K49-G107 WeakPolarHBondContact O-CA 3.2Å; K49-Q108 PolarHBondContact N-O 3.44Å; K49-Q108 PolarHBondContact O-N 2.87Å; K49-V110 HydrophobicContact CB-CG1 3.82Å; K49-E151 CarbonylContact C-O 3.41Å; K49-E151 WeakPolarHBondContact CA-O 3.39Å; K49-Y152 HydrophobicContact CB-CD1 3.97Å; K49-Y152 HydrophobicContact CB-CE1 3.65Å; K49-Y152 HydrophobicContact CD-CE1 4.12Å; K49-Y152 HydrophobicContact CG-CD1 4.35Å; K49-Y152 HydrophobicContact CG-CE1 3.79Å; K49-N433 VanDerWaalsContact CE-OD1 3.31Å; K49-N433 WeakPolarHBondContact CE-OD1 3.46Å
50V98.3Very high94.6Very high0 Ų023 Ų230%012%0.123CC..EExtended strand (participates in β ladder)trans-71.8134.6-176.4-176.20000109.5I48 A52 F105 A150 E151 I153 V431 N433I48-V50 PolarHBondContact O-N 3.31Å; V50-A52 WeakPolarHBondContact CG1-O 3.41Å; V50-F105 HydrophobicContact CG1-CB 4.31Å; V50-F105 HydrophobicContact CG2-CB 4.49Å; V50-A150 WeakPolarHBondContact CB-O 3.32Å; V50-A150 WeakPolarHBondContact CG2-O 3.33Å; V50-E151 PolarHBondContact N-O 3.22Å; V50-I153 HydrophobicContact CG2-CB 4.04Å; V50-I153 HydrophobicContact CG2-CG2 3.68Å; V50-V431 HydrophobicContact CB-CG1 4.47Å; V50-V431 HydrophobicContact CG1-CB 4.11Å; V50-V431 HydrophobicContact CG1-CG2 3.73Å; V50-N433 PolarHBondContact O-ND2 2.95Å
51K98.3Very high94.6Very high75 Ų7521.2 Ų21.233%0.32611%0.114SC..EExtended strand (participates in β ladder)trans-110.4-36.2174.6-67.8-64.9-171.5171.90111.4S106 F169 V431K51-S106 PolarHBondContact N-O 2.89Å; K51-F169 HydrophobicContact CB-CB 4.01Å; K51-F169 HydrophobicContact CB-CD1 3.69Å; K51-F169 HydrophobicContact CB-CD2 3.99Å; K51-F169 HydrophobicContact CB-CE1 4.12Å; K51-F169 HydrophobicContact CB-CE2 4.37Å; K51-F169 HydrophobicContact CB-CG 3.62Å; K51-F169 HydrophobicContact CB-CZ 4.43Å; K51-F169 HydrophobicContact CG-CD1 4.07Å; K51-F169 HydrophobicContact CG-CD2 4.21Å; K51-F169 HydrophobicContact CG-CE1 3.95Å; K51-F169 HydrophobicContact CG-CE2 4.09Å; K51-F169 HydrophobicContact CG-CG 4.2Å; K51-F169 HydrophobicContact CG-CZ 3.95Å; K51-V431 PolarHBondContact O-N 3.16Å
52A98.4Very high94.7Very high0 Ų016.9 Ų16.90%09%0.087CC..EExtended strand (participates in β ladder)trans-144.6150.8169.900000110.4V50 F105 S106 F169 I170 A173 V428 I429V50-A52 WeakPolarHBondContact CG1-O 3.41Å; A52-F105 CarbonylContact O-C 3.59Å; A52-F105 VanDerWaalsContact O-CA 3.29Å; A52-F105 WeakPolarHBondContact O-CA 3.46Å; A52-S106 PolarHBondContact N-O 2.86Å; A52-S106 VanDerWaalsContact N-O 3.12Å; A52-S106 PolarHBondContact O-N 3.49Å; A52-F169 HydrophobicContact CB-CB 4.23Å; A52-I170 HydrophobicContact CB-CD1 3.94Å; A52-A173 HydrophobicContact CB-CB 3.72Å; A52-V428 HydrophobicContact CB-CG1 4.11Å; A52-I429 CarbonylContact C-O 3.53Å; A52-I429 VanDerWaalsContact CA-O 3.23Å; A52-I429 WeakPolarHBondContact CA-O 3.37Å
53A98.4Very high95Very high0 Ų014.7 Ų14.70%08%0.079CC..EExtended strand (participates in β ladder)trans-125.5166.8169.900000109.1D104 L149 V428 I429 V431A53-D104 VanDerWaalsContact CA-O 3.23Å; A53-D104 WeakPolarHBondContact CA-O 3.48Å; A53-D104 WeakPolarHBondContact CB-O 3.46Å; A53-L149 HydrophobicContact CB-CD2 4.05Å; A53-V428 CarbonylContact O-C 3.27Å; A53-V428 WeakPolarHBondContact O-CA 3.49Å; A53-V428 VanDerWaalsContact O-CG1 3.26Å; A53-V428 WeakPolarHBondContact O-CG1 3.32Å; A53-I429 HydrophobicContact CB-CD1 4.29Å; A53-I429 PolarHBondContact N-O 3.49Å; A53-I429 PolarHBondContact O-N 3.45Å; A53-V431 HydrophobicContact CB-CG2 4.44Å
54S97.9Very high95Very high0 Ų013.1 Ų13.10%07%0.065CC..EExtended strand (participates in β ladder)trans-136.8151.9169.790.10000111.8D104 A173 K426 I427S54-D104 PolarHBondContact N-O 2.71Å; S54-D104 VanDerWaalsContact OG-CB 3.26Å; S54-D104 WeakPolarHBondContact OG-CB 3.42Å; S54-D104 PolarHBondContact OG-OD2 2.99Å; S54-A173 WeakPolarHBondContact CB-O 3.5Å; S54-A173 PolarHBondContact OG-O 3.09Å; S54-K426 VanDerWaalsContact OG-CE 3.24Å; S54-K426 WeakPolarHBondContact OG-CE 3.25Å; S54-K426 PolarHBondContact OG-NZ 2.95Å; S54-I427 VanDerWaalsContact CA-O 3.29Å; S54-I427 WeakPolarHBondContact CA-O 3.37Å; S54-I427 VanDerWaalsContact CB-O 3.26Å; S54-I427 WeakPolarHBondContact CB-O 3.44Å
55L97Very high94.9Very high0 Ų012.3 Ų12.30%06%0.063CC..EExtended strand (participates in β ladder)trans-92.6145.3176.2-61.4-179.7000111.1D59 L149 A414 F415 L418 K426 I427 I429L55-D59 HydrophobicContact CD2-CB 4.31Å; L55-L149 HydrophobicContact CD2-CD1 4.01Å; L55-L149 HydrophobicContact CD2-CD2 4.16Å; L55-A414 HydrophobicContact CD1-CB 3.73Å; L55-F415 HydrophobicContact CD1-CD1 4.34Å; L55-F415 HydrophobicContact CD1-CD2 3.89Å; L55-F415 HydrophobicContact CD1-CE2 4.15Å; L55-F415 HydrophobicContact CD1-CG 3.98Å; L55-F415 HydrophobicContact CD1-CZ 4.49Å; L55-F415 HydrophobicContact CD2-CD2 4.47Å; L55-F415 HydrophobicContact CD2-CE1 4.34Å; L55-F415 HydrophobicContact CD2-CE2 3.9Å; L55-F415 HydrophobicContact CD2-CZ 3.82Å; L55-L418 HydrophobicContact CB-CD1 3.96Å; L55-L418 HydrophobicContact CB-CD2 3.95Å; L55-L418 HydrophobicContact CB-CG 4.26Å; L55-L418 HydrophobicContact CD1-CD1 4.06Å; L55-L418 HydrophobicContact CD1-CG 4.34Å; L55-K426 PolarHBondContact O-NZ 3.32Å; L55-I427 HydrophobicContact CB-CB 4.48Å; L55-I427 HydrophobicContact CD1-CG2 4.46Å; L55-I427 PolarHBondContact N-O 3.32Å; L55-I429 HydrophobicContact CD1-CD1 4.38Å; L55-I429 HydrophobicContact CD2-CD1 3.85Å; L55-I429 HydrophobicContact CG-CD1 3.62Å
56N94.4Very high94.8Very high6 Ų612.3 Ų12.33%0.0326%0.062CC..  trans-121.8156.4171.2-63-80.2000109.5V58 D59 D104 Y177 K426N56-V58 HydrophobicContact CB-CG1 3.86Å; N56-V58 PolarHBondContact O-N 2.98Å; N56-D59 WeakPolarHBondContact CA-OD2 3.27Å; N56-D59 WeakPolarHBondContact CB-OD2 3.2Å; N56-D59 PolarHBondContact N-OD2 3.29Å; N56-D59 PolarHBondContact ND2-OD2 3.1Å; N56-D59 WeakPolarHBondContact O-CB 3.47Å; N56-D59 PolarHBondContact O-N 2.81Å; N56-D104 PolarHBondContact ND2-OD2 3.4Å; N56-Y177 HydrophobicContact CB-CD1 4.18Å; N56-K426 VanDerWaalsContact CG-NZ 3.31Å; N56-K426 PolarHBondContact OD1-NZ 3.32Å
57P91.7Very high94.6Very high56 Ų5612.3 Ų12.336%0.3646%0.062SC..Hα-helixtrans-55.2-23171.3-26.435.4000114S60 L61P57-S60 PolarHBondContact O-OG 3.34Å; P57-L61 WeakPolarHBondContact O-CG 3.4Å; P57-L61 PolarHBondContact O-N 3.32Å
58V91.4Very high94.3Very high7 Ų713.5 Ų13.54%0.0427%0.071CC..Hα-helixtrans-71.5-36.2173.568.70000111.8N56 S60 L61 L62 R103 Y177N56-V58 HydrophobicContact CB-CG1 3.86Å; N56-V58 PolarHBondContact O-N 2.98Å; V58-S60 PolarHBondContact O-N 3.11Å; V58-L61 PolarHBondContact O-N 2.64Å; V58-L62 HydrophobicContact CG2-CD1 4.11Å; V58-L62 HydrophobicContact CG2-CG 4.1Å; V58-L62 WeakPolarHBondContact O-CG 3.43Å; V58-L62 PolarHBondContact O-N 3.19Å; V58-R103 HydrophobicContact CG1-CG 4.46Å; V58-Y177 HydrophobicContact CG1-CE1 3.98Å; V58-Y177 HydrophobicContact CG1-CE2 4.01Å
59D93.6Very high93.9Very high0 Ų015.4 Ų15.40%08%0.084CC..Hα-helixtrans-60.3-39.8179.5-65.1-65.7000110.6L55 N56 L61 L62 V63 G102 R103 F415L55-D59 HydrophobicContact CD2-CB 4.31Å; N56-D59 WeakPolarHBondContact CA-OD2 3.27Å; N56-D59 WeakPolarHBondContact CB-OD2 3.2Å; N56-D59 PolarHBondContact N-OD2 3.29Å; N56-D59 PolarHBondContact ND2-OD2 3.1Å; N56-D59 WeakPolarHBondContact O-CB 3.47Å; N56-D59 PolarHBondContact O-N 2.81Å; D59-L61 VanDerWaalsContact C-N 3.35Å; D59-L62 PolarHBondContact O-N 3Å; D59-V63 PolarHBondContact O-N 3.14Å; D59-G102 WeakPolarHBondContact OD1-CA 3.48Å; D59-G102 PolarHBondContact OD1-N 2.82Å; D59-R103 PolarHBondContact OD1-N 3.31Å; D59-R103 IonicContact OD1-NE 3.5Å; D59-F415 HydrophobicContact CB-CE1 4.28Å; D59-F415 HydrophobicContact CB-CZ 4.49Å
60S91.2Very high93.6Very high1 Ų113.9 Ų13.91%0.0078%0.08CC..Hα-helixtrans-75-19177.2570000114.4P57 V58 V63 Y64 Y419P57-S60 PolarHBondContact O-OG 3.34Å; V58-S60 PolarHBondContact O-N 3.11Å; S60-V63 WeakPolarHBondContact O-CG2 3.4Å; S60-Y64 WeakPolarHBondContact O-CD2 3.25Å; S60-Y64 VanDerWaalsContact O-CE2 3.29Å; S60-Y64 WeakPolarHBondContact O-CE2 3.45Å; S60-Y419 WeakPolarHBondContact CB-OH 3.42Å; S60-Y419 VanDerWaalsContact OG-CZ 3.24Å; S60-Y419 PolarHBondContact OG-OH 2.95Å
61L91.1Very high93.2Very high10 Ų1015 Ų155%0.0529%0.085CC..Hα-helixtrans-82.7-37.8169-64.4176.6000111.7P57 V58 D59 V63 Y64 Y66 Y275 F276P57-L61 WeakPolarHBondContact O-CG 3.4Å; P57-L61 PolarHBondContact O-N 3.32Å; V58-L61 PolarHBondContact O-N 2.64Å; D59-L61 VanDerWaalsContact C-N 3.35Å; L61-V63 PolarHBondContact O-N 2.85Å; L61-Y64 PolarHBondContact O-N 3.3Å; L61-Y66 HydrophobicContact CB-CD1 3.89Å; L61-Y66 HydrophobicContact CB-CG 3.82Å; L61-Y66 HydrophobicContact CD1-CD1 4.03Å; L61-Y66 HydrophobicContact CD1-CD2 4.5Å; L61-Y66 HydrophobicContact CD1-CE1 4.13Å; L61-Y66 HydrophobicContact CD1-CG 4.22Å; L61-Y66 WeakPolarHBondContact O-CB 3.37Å; L61-Y66 PolarHBondContact O-N 2.89Å; L61-Y275 HydrophobicContact CD1-CD2 4.17Å; L61-F276 HydrophobicContact CB-CE2 4.34Å; L61-F276 HydrophobicContact CD2-CD2 3.5Å; L61-F276 HydrophobicContact CD2-CE2 3.59Å
62L92.5Very high92.6Very high3 Ų313.5 Ų13.52%0.0168%0.079CC..Hα-helixtrans-61-33.6-177.9-71.7168000112.2F17 V58 D59 Y64 G65 Y66 F71 F99 P139F17-L62 WeakPolarHBondContact CD1-O 3.44Å; F17-L62 WeakPolarHBondContact CE1-O 3.14Å; V58-L62 HydrophobicContact CG2-CD1 4.11Å; V58-L62 HydrophobicContact CG2-CG 4.1Å; V58-L62 WeakPolarHBondContact O-CG 3.43Å; V58-L62 PolarHBondContact O-N 3.19Å; D59-L62 PolarHBondContact O-N 3Å; L62-Y64 PolarHBondContact O-N 3.4Å; L62-G65 PolarHBondContact O-N 2.8Å; L62-Y66 WeakPolarHBondContact CD2-O 3.19Å; L62-F71 HydrophobicContact CD2-CD2 4.18Å; L62-F71 HydrophobicContact CD2-CE2 3.48Å; L62-F71 VanDerWaalsContact CD2-CE2 3.48Å; L62-F71 HydrophobicContact CD2-CZ 4.37Å; L62-F99 HydrophobicContact CB-CE1 4.39Å; L62-F99 HydrophobicContact CB-CZ 3.76Å; L62-F99 HydrophobicContact CD1-CZ 4.37Å; L62-P139 HydrophobicContact CD1-CB 3.94Å; L62-P139 HydrophobicContact CD2-CB 4.01Å
63V93Very high91.9Very high0 Ų016 Ų160%010%0.097CC..THydrogen-bonded Turntrans-65.8-21.4176.4-630000113.3L14 F17 L18 I25 D59 S60 L61 P101 F415L14-V63 HydrophobicContact CD1-CB 4.38Å; L14-V63 HydrophobicContact CD1-CG1 3.78Å; L14-V63 HydrophobicContact CD2-CB 3.89Å; L14-V63 HydrophobicContact CD2-CG1 4.19Å; F17-V63 WeakPolarHBondContact CA-O 3.42Å; L18-V63 HydrophobicContact CD1-CB 3.94Å; L18-V63 HydrophobicContact CD1-CG2 3.68Å; L18-V63 PolarHBondContact N-O 2.86Å; I25-V63 HydrophobicContact CD1-CG2 4.01Å; D59-V63 PolarHBondContact O-N 3.14Å; S60-V63 WeakPolarHBondContact O-CG2 3.4Å; L61-V63 PolarHBondContact O-N 2.85Å; V63-P101 HydrophobicContact CG1-CB 4.28Å; V63-P101 HydrophobicContact CG1-CG 3.88Å; V63-F415 HydrophobicContact CG1-CE1 4.19Å; V63-F415 HydrophobicContact CG1-CZ 4.25Å
64Y92.2Very high91.2Very high28 Ų2819 Ų1911%0.1111%0.112CC..THydrogen-bonded Turntrans-93.511.6170.9-62.3-92.2000112.9L18 P19 A22 S60 L61 L62L18-Y64 HydrophobicContact CB-CD1 3.47Å; L18-Y64 VanDerWaalsContact CB-CD1 3.47Å; L18-Y64 HydrophobicContact CB-CE1 3.63Å; L18-Y64 HydrophobicContact CB-CG 4.05Å; L18-Y64 HydrophobicContact CD1-CD1 4.27Å; L18-Y64 HydrophobicContact CD1-CD2 4.31Å; L18-Y64 HydrophobicContact CD1-CE1 3.9Å; L18-Y64 HydrophobicContact CD1-CE2 3.93Å; L18-Y64 HydrophobicContact CD1-CG 4.45Å; L18-Y64 HydrophobicContact CG-CE1 4.37Å; P19-Y64 WeakPolarHBondContact O-CD1 3.45Å; A22-Y64 HydrophobicContact CB-CE1 4Å; A22-Y64 PolarHBondContact O-OH 2.8Å; S60-Y64 WeakPolarHBondContact O-CD2 3.25Å; S60-Y64 VanDerWaalsContact O-CE2 3.29Å; S60-Y64 WeakPolarHBondContact O-CE2 3.45Å; L61-Y64 PolarHBondContact O-N 3.3Å; L62-Y64 PolarHBondContact O-N 3.4Å
65G90.8Very high90.4Very high8 Ų819.4 Ų19.48%0.08211%0.114CC..THydrogen-bonded Turntrans8015.617900000115F17 L62 G67 S68F17-G65 VanDerWaalsContact CG-CA 3.45Å; L62-G65 PolarHBondContact O-N 2.8Å; G65-G67 PolarHBondContact O-N 2.82Å; G65-S68 WeakPolarHBondContact O-CB 3.34Å; G65-S68 PolarHBondContact O-N 2.81Å; G65-S68 PolarHBondContact O-OG 2.89Å
66Y92Very high89.5Confident11 Ų1124 Ų244%0.04313%0.131CC..THydrogen-bonded Turntrans-58.7127.7174178.4-102.9000112.2L61 L62 S68 Y275 F276 L329L61-Y66 HydrophobicContact CB-CD1 3.89Å; L61-Y66 HydrophobicContact CB-CG 3.82Å; L61-Y66 HydrophobicContact CD1-CD1 4.03Å; L61-Y66 HydrophobicContact CD1-CD2 4.5Å; L61-Y66 HydrophobicContact CD1-CE1 4.13Å; L61-Y66 HydrophobicContact CD1-CG 4.22Å; L61-Y66 WeakPolarHBondContact O-CB 3.37Å; L61-Y66 PolarHBondContact O-N 2.89Å; L62-Y66 WeakPolarHBondContact CD2-O 3.19Å; Y66-S68 PolarHBondContact O-N 3.45Å; Y66-Y275 HydrophobicContact CE2-CD2 4.26Å; Y66-Y275 HydrophobicContact CE2-CE2 4.33Å; Y66-F276 HydrophobicContact CD2-CE2 4.36Å; Y66-F276 HydrophobicContact CD2-CZ 4.37Å; Y66-L329 HydrophobicContact CD1-CD1 4.4Å; Y66-L329 HydrophobicContact CE1-CB 3.96Å; Y66-L329 HydrophobicContact CE1-CD1 3.7Å; Y66-L329 HydrophobicContact CE1-CG 4.49Å; Y66-L329 HydrophobicContact CE2-CB 4.18Å
67G92.3Very high88.8Confident0 Ų029.3 Ų29.30%015%0.154CC..THydrogen-bonded Turntrans73.93.1-175.400000114.5G65 S69 S70 F71 D333G65-G67 PolarHBondContact O-N 2.82Å; G67-S69 VanDerWaalsContact C-N 3.25Å; G67-S69 PolarHBondContact O-N 3.28Å; G67-S70 PolarHBondContact O-N 3.4Å; G67-F71 VanDerWaalsContact C-CD2 3.45Å; G67-F71 WeakPolarHBondContact O-CD2 3.39Å; G67-F71 VanDerWaalsContact O-CG 3.22Å; G67-F71 WeakPolarHBondContact O-CG 3.5Å; G67-F71 PolarHBondContact O-N 3Å; G67-D333 WeakPolarHBondContact CA-OD1 3.33Å; G67-D333 WeakPolarHBondContact CA-OD2 3.36Å; G67-D333 PolarHBondContact N-OD1 2.76Å; G67-D333 PolarHBondContact N-OD2 3.34Å
68S91.1Very high88.1Confident29 Ų2926.8 Ų26.820%0.20314%0.137CC..Hα-helixtrans-53.8-41.3-17655.80000112.2G65 Y66 S70 F71 H72 D333G65-S68 WeakPolarHBondContact O-CB 3.34Å; G65-S68 PolarHBondContact O-N 2.81Å; G65-S68 PolarHBondContact O-OG 2.89Å; Y66-S68 PolarHBondContact O-N 3.45Å; S68-S70 VanDerWaalsContact C-N 3.31Å; S68-S70 PolarHBondContact O-N 3.46Å; S68-F71 PolarHBondContact O-N 3.21Å; S68-H72 WeakPolarHBondContact O-CB 3.43Å; S68-H72 PolarHBondContact O-N 2.87Å; S68-D333 PolarHBondContact N-OD1 2.93Å
69S89.8Confident87.2Confident39 Ų3927 Ų2727%0.27314%0.139SC..Hα-helixtrans-60.8-41.5179.3-66.20000112.3G67 S73 D333G67-S69 VanDerWaalsContact C-N 3.25Å; G67-S69 PolarHBondContact O-N 3.28Å; S69-S73 PolarHBondContact O-N 2.97Å; S69-S73 PolarHBondContact O-OG 3.04Å; S69-D333 WeakPolarHBondContact CB-OD1 3.47Å; S69-D333 PolarHBondContact N-OD1 3.43Å
70S90.5Very high86.2Confident19 Ų1933.5 Ų33.513%0.13317%0.167CC..Hα-helixtrans-73-45.2178.3-59.60000111.4G67 S68 S73 L74 N332G67-S70 PolarHBondContact O-N 3.4Å; S68-S70 VanDerWaalsContact C-N 3.31Å; S68-S70 PolarHBondContact O-N 3.46Å; S70-S73 PolarHBondContact O-N 3.38Å; S70-L74 WeakPolarHBondContact O-CB 3.28Å; S70-L74 PolarHBondContact O-N 2.87Å; S70-N332 WeakPolarHBondContact OG-CB 3.48Å; S70-N332 PolarHBondContact OG-ND2 2.9Å
71F89.6Confident85.2Confident23 Ų2339.9 Ų39.910%0.10119%0.192CC..Hα-helixtrans-69.5-35.6-176.7-58.2-35.7000112.2L62 G67 S68 L74 R75 P139 F140 L329L62-F71 HydrophobicContact CD2-CD2 4.18Å; L62-F71 HydrophobicContact CD2-CE2 3.48Å; L62-F71 VanDerWaalsContact CD2-CE2 3.48Å; L62-F71 HydrophobicContact CD2-CZ 4.37Å; G67-F71 VanDerWaalsContact C-CD2 3.45Å; G67-F71 WeakPolarHBondContact O-CD2 3.39Å; G67-F71 VanDerWaalsContact O-CG 3.22Å; G67-F71 WeakPolarHBondContact O-CG 3.5Å; G67-F71 PolarHBondContact O-N 3Å; S68-F71 PolarHBondContact O-N 3.21Å; F71-L74 PolarHBondContact O-N 3.1Å; F71-R75 WeakPolarHBondContact O-CB 3.42Å; F71-R75 VanDerWaalsContact O-CG 3.32Å; F71-R75 WeakPolarHBondContact O-CG 3.34Å; F71-R75 PolarHBondContact O-N 2.58Å; F71-P139 HydrophobicContact CE1-CB 4.27Å; F71-P139 HydrophobicContact CE2-CB 4Å; F71-P139 HydrophobicContact CZ-CB 3.69Å; F71-F140 HydrophobicContact CB-CB 3.79Å; F71-F140 HydrophobicContact CD1-CB 3.62Å; F71-F140 HydrophobicContact CE1-CB 4.39Å; F71-F140 HydrophobicContact CG-CB 3.8Å; F71-L329 HydrophobicContact CE1-CD1 4.3Å; F71-L329 HydrophobicContact CE1-CD2 4.1Å; F71-L329 HydrophobicContact CZ-CD1 3.7Å; F71-L329 HydrophobicContact CZ-CD2 4.18Å
72H85.6Confident84Confident43 Ų4342 Ų4220%0.19922%0.217CC..Hα-helixtrans-61.9-48.5173.4-176.960.9000111.2S68 L74 R75 R76 D96S68-H72 WeakPolarHBondContact O-CB 3.43Å; S68-H72 PolarHBondContact O-N 2.87Å; H72-L74 VanDerWaalsContact C-N 3.33Å; H72-L74 PolarHBondContact O-N 3.37Å; H72-R75 PolarHBondContact O-N 2.97Å; H72-R76 PolarHBondContact NE2-NE 2.83Å; H72-R76 PolarHBondContact O-N 3.26Å; H72-D96 IonicContact ND1-OD1 3.82Å
73S84Confident82.6Confident53 Ų5344.6 Ų44.637%0.37124%0.235SC..Hα-helixtrans-60.5-43.6176.7-59.10000111.7S69 S70 R76 F77 P337S69-S73 PolarHBondContact O-N 2.97Å; S69-S73 PolarHBondContact O-OG 3.04Å; S70-S73 PolarHBondContact O-N 3.38Å; S73-R76 PolarHBondContact O-N 3.35Å; S73-F77 WeakPolarHBondContact O-CB 3.37Å; S73-F77 PolarHBondContact O-N 3.25Å; S73-P337 WeakPolarHBondContact OG-CG 3.48Å
74L83.5Confident81.1Confident63 Ų6348 Ų4833%0.3325%0.25SC..Hα-helixtrans-64.7-44.9176.9-176.862.2000111.5S70 F71 H72 R76 F77 T78 F140S70-L74 WeakPolarHBondContact O-CB 3.28Å; S70-L74 PolarHBondContact O-N 2.87Å; F71-L74 PolarHBondContact O-N 3.1Å; H72-L74 VanDerWaalsContact C-N 3.33Å; H72-L74 PolarHBondContact O-N 3.37Å; L74-R76 PolarHBondContact O-N 3.2Å; L74-F77 PolarHBondContact O-N 2.79Å; L74-T78 HydrophobicContact CD1-CG2 3.85Å; L74-T78 HydrophobicContact CG-CG2 4.15Å; L74-T78 WeakPolarHBondContact O-CB 3.37Å; L74-T78 WeakPolarHBondContact O-CG2 3.35Å; L74-T78 PolarHBondContact O-N 3.07Å; L74-T78 PolarHBondContact O-OG1 2.6Å; L74-F140 HydrophobicContact CD2-CB 4.45Å; L74-F140 HydrophobicContact CD2-CD1 3.73Å; L74-F140 HydrophobicContact CD2-CD2 4.13Å; L74-F140 HydrophobicContact CD2-CE1 3.9Å; L74-F140 HydrophobicContact CD2-CE2 4.27Å; L74-F140 HydrophobicContact CD2-CG 3.86Å; L74-F140 HydrophobicContact CD2-CZ 4.18Å
75R81.5Confident79.4Confident9 Ų947.7 Ų47.73%0.03426%0.255CS..Hα-helixtrans-57.2-48.9176.2-80.3-173.7-74.9-82.9-6.5111.1F71 H72 F77 T78 S79 L86 D96 F140F71-R75 WeakPolarHBondContact O-CB 3.42Å; F71-R75 VanDerWaalsContact O-CG 3.32Å; F71-R75 WeakPolarHBondContact O-CG 3.34Å; F71-R75 PolarHBondContact O-N 2.58Å; H72-R75 PolarHBondContact O-N 2.97Å; R75-F77 VanDerWaalsContact C-N 3.35Å; R75-F77 PolarHBondContact O-N 3.35Å; R75-T78 WeakPolarHBondContact CA-OG1 3.43Å; R75-T78 PolarHBondContact O-N 3.32Å; R75-T78 PolarHBondContact O-OG1 3.03Å; R75-S79 WeakPolarHBondContact O-CB 3.11Å; R75-S79 PolarHBondContact O-N 3.03Å; R75-S79 PolarHBondContact O-OG 3.31Å; R75-S79 VanDerWaalsContact O-OG 3.08Å; R75-L86 HydrophobicContact CB-CD1 4.08Å; R75-L86 HydrophobicContact CG-CD1 3.76Å; R75-D96 IonicContact CZ-OD1 2.94Å; R75-D96 IonicContact NE-OD1 2.64Å; R75-D96 PolarHBondContact NE-OD1 2.94Å; R75-D96 IonicContact NH2-OD1 3.69Å; R75-D96 PolarHBondContact NH2-OD1 3.37Å; R75-D96 IonicContact NH2-OD2 2.6Å; R75-D96 PolarHBondContact NH2-OD2 3.14Å; R75-F140 PolarHBondContact NH1-O 3.41Å
76R77.8Confident78.1Confident97 Ų9748 Ų4837%0.36626%0.255SS..Hα-helixtrans-59-42.7176.2-79.1-175.3159.7173.6-2.1113.1H72 S73 L74 S79 K80H72-R76 PolarHBondContact NE2-NE 2.83Å; H72-R76 PolarHBondContact O-N 3.26Å; S73-R76 PolarHBondContact O-N 3.35Å; L74-R76 PolarHBondContact O-N 3.2Å; R76-S79 PolarHBondContact O-OG 2.88Å; R76-S79 VanDerWaalsContact O-OG 3.11Å; R76-K80 VanDerWaalsContact O-CB 3.29Å; R76-K80 WeakPolarHBondContact O-CB 3.22Å; R76-K80 PolarHBondContact O-N 3.31Å; R76-K80 VanDerWaalsContact O-N 3.13Å
77F79.5Confident76.5Confident117 Ų11752.2 Ų52.251%0.51328%0.283SS..Hα-helixtrans-63-51.3175.7177.2-91.3000110.9S73 L74 R75 S79 K80 Y81S73-F77 WeakPolarHBondContact O-CB 3.37Å; S73-F77 PolarHBondContact O-N 3.25Å; L74-F77 PolarHBondContact O-N 2.79Å; R75-F77 VanDerWaalsContact C-N 3.35Å; R75-F77 PolarHBondContact O-N 3.35Å; F77-S79 PolarHBondContact O-N 3.02Å; F77-K80 PolarHBondContact O-N 3.29Å; F77-Y81 HydrophobicContact CD1-CD2 4.25Å; F77-Y81 AromaticContact CD2-CD2 3.72Å; F77-Y81 HydrophobicContact CD2-CD2 3.72Å; F77-Y81 AromaticContact CD2-CE2 3.5Å; F77-Y81 HydrophobicContact CD2-CE2 3.5Å; F77-Y81 VanDerWaalsContact CD2-CE2 3.5Å; F77-Y81 HydrophobicContact CE1-CD2 4.06Å; F77-Y81 AromaticContact CE2-CD2 3.52Å; F77-Y81 HydrophobicContact CE2-CD2 3.52Å; F77-Y81 AromaticContact CE2-CE2 3.29Å; F77-Y81 HydrophobicContact CE2-CE2 3.29Å; F77-Y81 HydrophobicContact CG-CD2 4.08Å; F77-Y81 HydrophobicContact CG-CE2 4.28Å; F77-Y81 AromaticContact CZ-CD2 3.69Å; F77-Y81 HydrophobicContact CZ-CD2 3.69Å; F77-Y81 AromaticContact CZ-CE2 3.93Å; F77-Y81 HydrophobicContact CZ-CE2 3.93Å; F77-Y81 WeakPolarHBondContact O-CD2 3.33Å; F77-Y81 PolarHBondContact O-N 2.7Å
78T76.2Confident74.8Confident2 Ų257.7 Ų57.71%0.01231%0.313CS..Hα-helixtrans-67-38.4-174.857.60000112.5L74 R75 Y81 G82 C83 F84 L86L74-T78 HydrophobicContact CD1-CG2 3.85Å; L74-T78 HydrophobicContact CG-CG2 4.15Å; L74-T78 WeakPolarHBondContact O-CB 3.37Å; L74-T78 WeakPolarHBondContact O-CG2 3.35Å; L74-T78 PolarHBondContact O-N 3.07Å; L74-T78 PolarHBondContact O-OG1 2.6Å; R75-T78 WeakPolarHBondContact CA-OG1 3.43Å; R75-T78 PolarHBondContact O-N 3.32Å; R75-T78 PolarHBondContact O-OG1 3.03Å; T78-Y81 PolarHBondContact O-N 2.92Å; T78-G82 CarbonylContact O-C 3.54Å; T78-G82 PolarHBondContact O-N 2.82Å; T78-C83 CarbonylContact C-O 3.52Å; T78-C83 WeakPolarHBondContact CB-O 3.27Å; T78-C83 HydrophobicContact CG2-CB 4.29Å; T78-C83 PolarHBondContact O-N 3.36Å; T78-F84 HydrophobicContact CG2-CD2 3.41Å; T78-F84 VanDerWaalsContact CG2-CD2 3.41Å; T78-F84 HydrophobicContact CG2-CE2 3.88Å; T78-F84 HydrophobicContact CG2-CG 4.47Å; T78-L86 WeakPolarHBondContact OG1-CD1 3.46Å
79S74.4Confident73.2Confident11 Ų1156.9 Ų56.98%0.07731%0.308CS..Hα-helixtrans-64.8-45.2173.7640000112.2R75 R76 F77 Y81 G82 P87 A89R75-S79 WeakPolarHBondContact O-CB 3.11Å; R75-S79 PolarHBondContact O-N 3.03Å; R75-S79 PolarHBondContact O-OG 3.31Å; R75-S79 VanDerWaalsContact O-OG 3.08Å; R76-S79 PolarHBondContact O-OG 2.88Å; R76-S79 VanDerWaalsContact O-OG 3.11Å; F77-S79 PolarHBondContact O-N 3.02Å; S79-Y81 VanDerWaalsContact C-N 3.26Å; S79-Y81 PolarHBondContact O-N 2.9Å; S79-G82 PolarHBondContact O-N 2.83Å; S79-P87 WeakPolarHBondContact CB-O 3.49Å; S79-A89 PolarHBondContact OG-N 2.84Å
80K71.6Confident71.4Confident137 Ų13757.7 Ų57.760%0.59631%0.311SS*.Hα-helixtrans-56.8-38.1177.9-177.9174.2-178.7176.30113.1R76 F77 T90R76-K80 VanDerWaalsContact O-CB 3.29Å; R76-K80 WeakPolarHBondContact O-CB 3.22Å; R76-K80 PolarHBondContact O-N 3.31Å; R76-K80 VanDerWaalsContact O-N 3.13Å; F77-K80 PolarHBondContact O-N 3.29Å; K80-T90 HydrophobicContact CB-CG2 3.97Å; K80-T90 HydrophobicContact CG-CG2 4.5Å
81Y70.6Confident69.5Low135 Ų13562.4 Ų62.453%0.52934%0.339SS..THydrogen-bonded Turntrans-102.711.8-176.9-61.4-68.2000113.7F77 T78 S79 C83F77-Y81 HydrophobicContact CD1-CD2 4.25Å; F77-Y81 AromaticContact CD2-CD2 3.72Å; F77-Y81 HydrophobicContact CD2-CD2 3.72Å; F77-Y81 AromaticContact CD2-CE2 3.5Å; F77-Y81 HydrophobicContact CD2-CE2 3.5Å; F77-Y81 VanDerWaalsContact CD2-CE2 3.5Å; F77-Y81 HydrophobicContact CE1-CD2 4.06Å; F77-Y81 AromaticContact CE2-CD2 3.52Å; F77-Y81 HydrophobicContact CE2-CD2 3.52Å; F77-Y81 AromaticContact CE2-CE2 3.29Å; F77-Y81 HydrophobicContact CE2-CE2 3.29Å; F77-Y81 HydrophobicContact CG-CD2 4.08Å; F77-Y81 HydrophobicContact CG-CE2 4.28Å; F77-Y81 AromaticContact CZ-CD2 3.69Å; F77-Y81 HydrophobicContact CZ-CD2 3.69Å; F77-Y81 AromaticContact CZ-CE2 3.93Å; F77-Y81 HydrophobicContact CZ-CE2 3.93Å; F77-Y81 WeakPolarHBondContact O-CD2 3.33Å; F77-Y81 PolarHBondContact O-N 2.7Å; T78-Y81 PolarHBondContact O-N 2.92Å; S79-Y81 VanDerWaalsContact C-N 3.26Å; S79-Y81 PolarHBondContact O-N 2.9Å; Y81-C83 PolarHBondContact O-N 3.2Å
82G64.9Low68Low56 Ų5663.2 Ų63.258%0.57735%0.35SS*.THydrogen-bonded Turntrans61.112.9-177.900000114.4T78 S79T78-G82 CarbonylContact O-C 3.54Å; T78-G82 PolarHBondContact O-N 2.82Å; S79-G82 PolarHBondContact O-N 2.83Å
83C64.3Low66.7Low56 Ų5669.7 Ų69.738%0.37838%0.38SS..G310 helixtrans-75.1144175.8-65.20000108.6T78 Y81 G85T78-C83 CarbonylContact C-O 3.52Å; T78-C83 WeakPolarHBondContact CB-O 3.27Å; T78-C83 HydrophobicContact CG2-CB 4.29Å; T78-C83 PolarHBondContact O-N 3.36Å; Y81-C83 PolarHBondContact O-N 3.2Å; C83-G85 PolarHBondContact O-N 2.84Å
84F61.5Low66Low72 Ų7272.7 Ų72.732%0.31639%0.393SS..G310 helixtrans57.93.8-174.7-58-87.7000116.6R42 T78 L86 F140R42-F84 VanDerWaalsContact CD-O 3.23Å; R42-F84 WeakPolarHBondContact CD-O 3.36Å; R42-F84 PolarHBondContact NH1-O 3.2Å; T78-F84 HydrophobicContact CG2-CD2 3.41Å; T78-F84 VanDerWaalsContact CG2-CD2 3.41Å; T78-F84 HydrophobicContact CG2-CE2 3.88Å; T78-F84 HydrophobicContact CG2-CG 4.47Å; F84-L86 HydrophobicContact CB-CG 4.34Å; F84-L86 PolarHBondContact O-N 3.35Å; F84-F140 HydrophobicContact CD1-CZ 4.05Å; F84-F140 HydrophobicContact CD2-CZ 4.48Å; F84-F140 HydrophobicContact CE1-CZ 4.06Å; F84-F140 HydrophobicContact CE2-CZ 4.47Å; F84-F140 HydrophobicContact CG-CE2 4.39Å; F84-F140 HydrophobicContact CG-CZ 4.27Å; F84-F140 HydrophobicContact CZ-CZ 4.26Å
85G56.6Low65.7Low21 Ų2170.8 Ų70.822%0.21639%0.386CS..G310 helixtrans52.537.9178.300000114.5T41 C83T41-G85 PolarHBondContact OG1-O 2.82Å; C83-G85 PolarHBondContact O-N 2.84Å
86L62.9Low65.8Low16 Ų1671.2 Ų71.28%0.08439%0.389CS..  trans-73138.4169.7-58.1-166.6000109.3R75 T78 F84 L141 T144R75-L86 HydrophobicContact CB-CD1 4.08Å; R75-L86 HydrophobicContact CG-CD1 3.76Å; T78-L86 WeakPolarHBondContact OG1-CD1 3.46Å; F84-L86 HydrophobicContact CB-CG 4.34Å; F84-L86 PolarHBondContact O-N 3.35Å; L86-L141 HydrophobicContact CD2-CD2 3.99Å; L86-T144 HydrophobicContact CD1-CG2 4.46Å; L86-T144 HydrophobicContact CD2-CG2 3.46Å; L86-T144 VanDerWaalsContact CD2-CG2 3.46Å
87P59.2Low66.3Low99 Ų9968.9 Ų68.964%0.64338%0.381SS*.  trans-59.3154.2171.725.3-31.6000110S79 A89S79-P87 WeakPolarHBondContact CB-O 3.49Å; P87-A89 PolarHBondContact O-N 2.89Å
88D56.7Low66.9Low115 Ų11564.9 Ų64.962%0.61537%0.367SS*.  trans-55.2106-179.4-167.9-6.1000110.2T90D88-T90 VanDerWaalsContact OD1-CB 3.25Å; D88-T90 WeakPolarHBondContact OD1-CB 3.25Å; D88-T90 WeakPolarHBondContact OD1-CG2 3.48Å; D88-T90 PolarHBondContact OD1-N 3.3Å; D88-T90 PolarHBondContact OD1-OG1 3.05Å
89A56.7Low67.7Low12 Ų1265.1 Ų65.110%0.09937%0.368CS..  trans-107.711.1-178.300000110.8S79 P87 T91 A95S79-A89 PolarHBondContact OG-N 2.84Å; P87-A89 PolarHBondContact O-N 2.89Å; A89-T91 PolarHBondContact O-N 3.34Å; A89-T91 VanDerWaalsContact O-N 3.11Å; A89-A95 HydrophobicContact CB-CB 4.08Å
90T52.5Low68.7Low55 Ų5564.8 Ų64.834%0.33737%0.366SS..SBendtrans-60.9-22.9-176.156.30000112.4K80 D88K80-T90 HydrophobicContact CB-CG2 3.97Å; K80-T90 HydrophobicContact CG-CG2 4.5Å; D88-T90 VanDerWaalsContact OD1-CB 3.25Å; D88-T90 WeakPolarHBondContact OD1-CB 3.25Å; D88-T90 WeakPolarHBondContact OD1-CG2 3.48Å; D88-T90 PolarHBondContact OD1-N 3.3Å; D88-T90 PolarHBondContact OD1-OG1 3.05Å
91T49Very low69.9Low118 Ų11858.3 Ų58.372%0.72434%0.337SS*.SBendtrans-118.5-8.9-176.856.30000115.5A89 E93A89-T91 PolarHBondContact O-N 3.34Å; A89-T91 VanDerWaalsContact O-N 3.11Å; T91-E93 PolarHBondContact O-N 3.23Å; T91-E93 VanDerWaalsContact O-N 3.17Å
92A58.1Low71.1Confident41 Ų4151.9 Ų51.934%0.33931%0.312SS..  trans-80.7104.1-174.700000111.3N94 A95A92-N94 PolarHBondContact O-N 3.24Å; A92-N94 VanDerWaalsContact O-N 3.09Å; A92-A95 HydrophobicContact CB-CB 4.07Å; A92-A95 PolarHBondContact O-N 3.19Å
93E58.4Low72.6Confident178 Ų17849.2 Ų49.283%0.83229%0.285SS*.THydrogen-bonded Turntrans-54.7-23.6173-79.2-177.7151.700112.9T91T91-E93 PolarHBondContact O-N 3.23Å; T91-E93 VanDerWaalsContact O-N 3.17Å
94N69.8Low74.2Confident117 Ų11746.5 Ų46.563%0.62627%0.267SS*.THydrogen-bonded Turntrans-119.533.8-178.8-68.8-28.9000113.6A92 D96 F97A92-N94 PolarHBondContact O-N 3.24Å; A92-N94 VanDerWaalsContact O-N 3.09Å; N94-D96 PolarHBondContact O-N 2.92Å; N94-F97 PolarHBondContact O-N 3.47Å
95A78Confident76Confident23 Ų2343.1 Ų43.119%0.1925%0.252CS..THydrogen-bonded Turntrans-58.8-16.517900000114.2A89 A92 F97 S143A89-A95 HydrophobicContact CB-CB 4.08Å; A92-A95 HydrophobicContact CB-CB 4.07Å; A92-A95 PolarHBondContact O-N 3.19Å; A95-F97 VanDerWaalsContact C-N 3.33Å; A95-S143 WeakPolarHBondContact O-CB 3.31Å
96D82.6Confident78Confident17 Ų1742.1 Ų42.19%0.09124%0.241CC..THydrogen-bonded Turntrans-79.9-18.1-179.4-68.44.4000112.3F17 H72 R75 N94 F99 S143F17-D96 HydrophobicContact CZ-CB 4.25Å; H72-D96 IonicContact ND1-OD1 3.82Å; R75-D96 IonicContact CZ-OD1 2.94Å; R75-D96 IonicContact NE-OD1 2.64Å; R75-D96 PolarHBondContact NE-OD1 2.94Å; R75-D96 IonicContact NH2-OD1 3.69Å; R75-D96 PolarHBondContact NH2-OD1 3.37Å; R75-D96 IonicContact NH2-OD2 2.6Å; R75-D96 PolarHBondContact NH2-OD2 3.14Å; N94-D96 PolarHBondContact O-N 2.92Å; D96-F99 WeakPolarHBondContact O-CB 3.05Å; D96-S143 VanDerWaalsContact C-OG 3.27Å; D96-S143 VanDerWaalsContact O-CB 3.27Å; D96-S143 WeakPolarHBondContact O-CB 3.21Å; D96-S143 PolarHBondContact O-OG 3.12Å
97F89.4Confident79.7Confident48 Ų4841.3 Ų41.321%0.21124%0.237CC..  trans-122.9149.6-172.9-56.8-69.9000112.7L14 M15 S16 F17 N94 A95 F99L14-F97 HydrophobicContact CB-CE1 4.4Å; L14-F97 WeakPolarHBondContact O-CD1 3.08Å; M15-F97 WeakPolarHBondContact O-CD2 2.97Å; M15-F97 VanDerWaalsContact O-CG 3.25Å; M15-F97 WeakPolarHBondContact O-CG 3.46Å; S16-F97 VanDerWaalsContact CA-CZ 3.47Å; F17-F97 HydrophobicContact CD1-CE1 4.1Å; F17-F97 AromaticContact CD1-CZ 3.97Å; F17-F97 HydrophobicContact CD1-CZ 3.97Å; F17-F97 HydrophobicContact CD2-CE2 4.45Å; F17-F97 AromaticContact CD2-CZ 3.68Å; F17-F97 HydrophobicContact CD2-CZ 3.68Å; F17-F97 HydrophobicContact CE1-CE1 4.07Å; F17-F97 AromaticContact CE1-CZ 3.99Å; F17-F97 HydrophobicContact CE1-CZ 3.99Å; F17-F97 HydrophobicContact CE2-CE2 4.3Å; F17-F97 AromaticContact CE2-CZ 3.69Å; F17-F97 HydrophobicContact CE2-CZ 3.69Å; F17-F97 HydrophobicContact CG-CE1 4.35Å; F17-F97 AromaticContact CG-CZ 3.81Å; F17-F97 HydrophobicContact CG-CZ 3.81Å; F17-F97 HydrophobicContact CZ-CE1 4.29Å; F17-F97 AromaticContact CZ-CZ 3.84Å; F17-F97 HydrophobicContact CZ-CZ 3.84Å; N94-F97 PolarHBondContact O-N 3.47Å; A95-F97 VanDerWaalsContact C-N 3.33Å; F97-F99 HydrophobicContact CD1-CB 3.85Å; F97-F99 HydrophobicContact CE1-CB 4.1Å
98P91.3Very high81.5Confident34 Ų3440 Ų4022%0.22122%0.223CC..SBendcis-67.2134.5-5.429.4-36.2000112.3Q13 L14 M15Q13-P98 HydrophobicContact CB-CB 4.36Å; Q13-P98 VanDerWaalsContact OE1-CB 3.28Å; L14-P98 WeakPolarHBondContact O-CA 3.08Å; M15-P98 HydrophobicContact CE-CB 3.57Å; M15-P98 HydrophobicContact SD-CB 4.02Å
99F93.7Very high83.4Confident7 Ų734.6 Ų34.63%0.03119%0.193CC..BIsolated β-bridgetrans-95.5119.4-178.4-179.5-82.7000109.5Q13 L14 F17 L62 D96 F97 P101 S142Q13-F99 CarbonylContact C-O 3.58Å; Q13-F99 WeakPolarHBondContact CA-O 3.21Å; L14-F99 HydrophobicContact CB-CB 4.36Å; L14-F99 HydrophobicContact CD1-CD1 3.65Å; L14-F99 HydrophobicContact CD1-CE1 4.36Å; L14-F99 PolarHBondContact N-O 2.92Å; L14-F99 PolarHBondContact O-N 3.19Å; F17-F99 HydrophobicContact CE1-CD2 4.3Å; L62-F99 HydrophobicContact CB-CE1 4.39Å; L62-F99 HydrophobicContact CB-CZ 3.76Å; L62-F99 HydrophobicContact CD1-CZ 4.37Å; D96-F99 WeakPolarHBondContact O-CB 3.05Å; F97-F99 HydrophobicContact CD1-CB 3.85Å; F97-F99 HydrophobicContact CE1-CB 4.1Å; F99-P101 HydrophobicContact CD1-CB 4.49Å; F99-P101 HydrophobicContact CD1-CG 3.95Å; F99-P101 HydrophobicContact CE1-CB 3.9Å; F99-P101 HydrophobicContact CE1-CG 3.82Å; F99-S142 WeakPolarHBondContact CE2-OG 3.22Å; F99-S142 VanDerWaalsContact CZ-CB 3.4Å; F99-S142 WeakPolarHBondContact CZ-OG 3.42Å
100T95.5Very high85.3Confident4 Ų434.4 Ų34.43%0.02519%0.191CC..  trans-100.1115.8172-58.40000109.7W12 R103 S142 G147 L149 A150W12-T100 WeakPolarHBondContact O-CG2 3.5Å; T100-R103 PolarHBondContact O-NH2 2.97Å; T100-S142 PolarHBondContact N-O 2.65Å; T100-S142 WeakPolarHBondContact O-CB 3.38Å; T100-S142 PolarHBondContact O-OG 2.82Å; T100-G147 VanDerWaalsContact O-CA 3.27Å; T100-G147 WeakPolarHBondContact O-CA 3.42Å; T100-L149 HydrophobicContact CG2-CB 4.44Å; T100-A150 HydrophobicContact CG2-CB 4.05Å
101P95.6Very high87.4Confident0 Ų033 Ų330%018%0.182CC..  trans-71.7-179.1177.1-1125.6000112.9W12 L14 L29 V63 F99 G147 S148 L149 F415W12-P101 WeakPolarHBondContact O-CD 3.17Å; L14-P101 HydrophobicContact CD1-CG 3.62Å; L29-P101 HydrophobicContact CD1-CG 3.89Å; V63-P101 HydrophobicContact CG1-CB 4.28Å; V63-P101 HydrophobicContact CG1-CG 3.88Å; F99-P101 HydrophobicContact CD1-CB 4.49Å; F99-P101 HydrophobicContact CD1-CG 3.95Å; F99-P101 HydrophobicContact CE1-CB 3.9Å; F99-P101 HydrophobicContact CE1-CG 3.82Å; P101-G147 CarbonylContact O-C 3.54Å; P101-S148 PolarHBondContact O-N 2.97Å; P101-L149 HydrophobicContact CB-CD1 3.8Å; P101-L149 HydrophobicContact CB-CG 4.47Å; P101-L149 HydrophobicContact CG-CD1 4.19Å; P101-L149 WeakPolarHBondContact O-CG 3.49Å; P101-L149 PolarHBondContact O-N 3.11Å; P101-F415 HydrophobicContact CB-CZ 4.06Å; P101-F415 HydrophobicContact CG-CZ 4.41Å
102G96.7Very high89.6Confident0 Ų029 Ų290%016%0.155CC..  trans89.7123.4177.100000111.6D59 S148D59-G102 WeakPolarHBondContact OD1-CA 3.48Å; D59-G102 PolarHBondContact OD1-N 2.82Å; G102-S148 VanDerWaalsContact CA-OG 3.31Å; G102-S148 WeakPolarHBondContact CA-OG 3.19Å; G102-S148 PolarHBondContact O-N 3.29Å; G102-S148 PolarHBondContact O-OG 2.94Å
103R96.8Very high91.4Very high0 Ų027.2 Ų27.20%014%0.141CC..  trans-98.8-37.7177.7-58-55.973.6166.211.4112.7V58 D59 T100 A136 T137 W138 P139 S142 S148 Y177V58-R103 HydrophobicContact CG1-CG 4.46Å; D59-R103 PolarHBondContact OD1-N 3.31Å; D59-R103 IonicContact OD1-NE 3.5Å; T100-R103 PolarHBondContact O-NH2 2.97Å; R103-A136 CarbonylContact O-C 3.5Å; R103-A136 VanDerWaalsContact O-CA 3.27Å; R103-A136 WeakPolarHBondContact O-CA 3.08Å; R103-T137 WeakPolarHBondContact CD-O 3.4Å; R103-T137 PolarHBondContact O-N 3.49Å; R103-W138 PolarHBondContact NH1-O 2.87Å; R103-P139 VanDerWaalsContact NH1-C 3.33Å; R103-P139 PolarHBondContact NH1-O 2.76Å; R103-S142 PolarHBondContact NH1-OG 3.49Å; R103-S142 PolarHBondContact NH2-OG 3.23Å; R103-S148 PolarHBondContact N-OG 2.81Å; R103-Y177 HydrophobicContact CB-CD2 3.82Å; R103-Y177 HydrophobicContact CB-CE2 4.5Å; R103-Y177 HydrophobicContact CG-CD2 3.92Å; R103-Y177 HydrophobicContact CG-CE2 4.1Å
104D98.1Very high93.1Very high0 Ų022.9 Ų22.90%013%0.13CC..EExtended strand (participates in β ladder)trans-88.1139.3-172.9-75.3-40000111.8A53 S54 N56 A136 S148 A173 G176 Y177 K426A53-D104 VanDerWaalsContact CA-O 3.23Å; A53-D104 WeakPolarHBondContact CA-O 3.48Å; A53-D104 WeakPolarHBondContact CB-O 3.46Å; S54-D104 PolarHBondContact N-O 2.71Å; S54-D104 VanDerWaalsContact OG-CB 3.26Å; S54-D104 WeakPolarHBondContact OG-CB 3.42Å; S54-D104 PolarHBondContact OG-OD2 2.99Å; N56-D104 PolarHBondContact ND2-OD2 3.4Å; D104-A136 WeakPolarHBondContact OD1-CB 3.4Å; D104-S148 WeakPolarHBondContact O-CB 3.47Å; D104-S148 PolarHBondContact O-OG 3.47Å; D104-A173 WeakPolarHBondContact CB-O 3.46Å; D104-G176 VanDerWaalsContact OD1-CA 3.25Å; D104-G176 WeakPolarHBondContact OD1-CA 3.32Å; D104-Y177 VanDerWaalsContact OD1-CB 3.29Å; D104-Y177 WeakPolarHBondContact OD1-CB 3.39Å; D104-Y177 PolarHBondContact OD1-N 3.35Å; D104-Y177 VanDerWaalsContact OD2-CB 3.3Å; D104-Y177 WeakPolarHBondContact OD2-CB 3.29Å; D104-K426 IonicContact OD2-NZ 2.87Å; D104-K426 PolarHBondContact OD2-NZ 3.47Å
105F98.5Very high94.2Very high0 Ų023.4 Ų23.40%013%0.127CC..EExtended strand (participates in β ladder)trans-148.3157.7171.964.9-88.7000112.2I48 V50 A52 A134 G135 T137 I153 C155 V160I48-F105 HydrophobicContact CD1-CE2 3.66Å; I48-F105 HydrophobicContact CD1-CZ 3.95Å; I48-F105 HydrophobicContact CG2-CD2 4.27Å; I48-F105 HydrophobicContact CG2-CE2 4.29Å; V50-F105 HydrophobicContact CG1-CB 4.31Å; V50-F105 HydrophobicContact CG2-CB 4.49Å; A52-F105 CarbonylContact O-C 3.59Å; A52-F105 VanDerWaalsContact O-CA 3.29Å; A52-F105 WeakPolarHBondContact O-CA 3.46Å; F105-A134 WeakPolarHBondContact O-CA 3.36Å; F105-G135 WeakPolarHBondContact CD1-O 3.38Å; F105-G135 PolarHBondContact N-O 3.38Å; F105-G135 PolarHBondContact O-N 3.27Å; F105-T137 HydrophobicContact CD1-CG2 4.42Å; F105-T137 HydrophobicContact CE1-CG2 3.85Å; F105-I153 HydrophobicContact CD1-CD1 3.61Å; F105-I153 HydrophobicContact CD1-CG2 4.38Å; F105-I153 HydrophobicContact CD2-CG2 4.24Å; F105-I153 HydrophobicContact CE1-CD1 3.85Å; F105-I153 HydrophobicContact CE2-CG2 4.46Å; F105-I153 HydrophobicContact CG-CD1 4.29Å; F105-I153 HydrophobicContact CG-CG2 4.2Å; F105-C155 HydrophobicContact CE1-CB 4.21Å; F105-C155 HydrophobicContact CZ-CB 3.85Å; F105-V160 HydrophobicContact CE2-CG1 4.01Å; F105-V160 HydrophobicContact CZ-CG1 3.63Å
106S98.6Very high94.9Very high0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-136.5147.2158.168.40000108.7K51 A52 V133 F169K51-S106 PolarHBondContact N-O 2.89Å; A52-S106 PolarHBondContact N-O 2.86Å; A52-S106 VanDerWaalsContact N-O 3.12Å; A52-S106 PolarHBondContact O-N 3.49Å; S106-V133 CarbonylContact C-O 3.52Å; S106-V133 VanDerWaalsContact CA-O 3.24Å; S106-V133 WeakPolarHBondContact CA-O 3.31Å; S106-F169 WeakPolarHBondContact CB-O 3.13Å; S106-F169 WeakPolarHBondContact OG-CA 3.41Å; S106-F169 VanDerWaalsContact OG-CB 3.27Å; S106-F169 WeakPolarHBondContact OG-CB 3.4Å; S106-F169 WeakPolarHBondContact OG-CD1 3.28Å; S106-F169 PolarHBondContact OG-O 2.84Å
107G98Very high95.1Very high0 Ų023.5 Ų23.50%013%0.129CC..EExtended strand (participates in β ladder)trans179.4-166.4-170.400000113.4K49 N132 V133K49-G107 CarbonylContact O-C 3.47Å; K49-G107 WeakPolarHBondContact O-CA 3.2Å; G107-N132 CarbonylContact O-C 3.33Å; G107-N132 VanDerWaalsContact O-CA 3.3Å; G107-N132 WeakPolarHBondContact O-CA 3.49Å; G107-V133 PolarHBondContact N-O 3.03Å; G107-V133 PolarHBondContact O-N 2.95Å
108Q97.2Very high94.9Very high72 Ų7226.2 Ų26.234%0.33615%0.146SC..EExtended strand (participates in β ladder)trans-118134.7-178.9-173176.261.200110.9I48 K49 V110 G130 T131I48-Q108 CarbonylContact C-O 3.52Å; I48-Q108 WeakPolarHBondContact CA-O 3.21Å; K49-Q108 PolarHBondContact N-O 3.44Å; K49-Q108 PolarHBondContact O-N 2.87Å; Q108-V110 PolarHBondContact O-N 2.91Å; Q108-G130 WeakPolarHBondContact CG-O 3.35Å; Q108-G130 PolarHBondContact NE2-O 2.93Å; Q108-T131 WeakPolarHBondContact CA-O 3.48Å
109I97.5Very high94.8Very high0 Ų025.9 Ų25.90%014%0.144CC..EExtended strand (participates in β ladder)trans-65.8125.3174.1-58.6178.1000109.4L46 I48 D111 I112 L127 I128 G130 T131 V133L46-I109 HydrophobicContact CD1-CD1 4.08Å; L46-I109 HydrophobicContact CD1-CG1 4.47Å; L46-I109 HydrophobicContact CD2-CD1 4.14Å; L46-I109 HydrophobicContact CD2-CG2 4.25Å; I48-I109 HydrophobicContact CG1-CG1 4.31Å; I109-D111 WeakPolarHBondContact CG2-O 3.47Å; I109-I112 HydrophobicContact CG2-CG2 3.48Å; I109-I112 VanDerWaalsContact CG2-CG2 3.48Å; I109-L127 HydrophobicContact CD1-CB 3.98Å; I109-L127 HydrophobicContact CD1-CD2 4.08Å; I109-I128 WeakPolarHBondContact CB-O 3.34Å; I109-G130 PolarHBondContact O-N 2.94Å; I109-T131 HydrophobicContact CD1-CG2 4.46Å; I109-T131 PolarHBondContact N-O 3.35Å; I109-V133 HydrophobicContact CD1-CG1 3.78Å; I109-V133 HydrophobicContact CG1-CG1 3.91Å; I109-V133 HydrophobicContact CG1-CG2 4.02Å
110V96.7Very high94.2Very high8 Ų826.7 Ų26.75%0.04815%0.149CC..EExtended strand (participates in β ladder)trans-115.3-20.2177.5-65.30000113.1P3 L5 L47 K49 Q108 Y152P3-V110 WeakPolarHBondContact CD-O 3Å; P3-V110 HydrophobicContact CG-CB 3.84Å; P3-V110 HydrophobicContact CG-CG1 4.12Å; L5-V110 HydrophobicContact CD2-CB 4.21Å; L5-V110 HydrophobicContact CD2-CG2 3.96Å; L47-V110 HydrophobicContact CB-CG2 4.09Å; L47-V110 HydrophobicContact CD2-CG2 3.84Å; L47-V110 HydrophobicContact CG-CG2 3.64Å; L47-V110 WeakPolarHBondContact O-CG2 3.25Å; L47-V110 PolarHBondContact O-N 3.44Å; K49-V110 HydrophobicContact CB-CG1 3.82Å; Q108-V110 PolarHBondContact O-N 2.91Å; V110-Y152 HydrophobicContact CG2-CD1 4.08Å; V110-Y152 HydrophobicContact CG2-CE1 4.1Å
111D96.1Very high93.4Very high26 Ų2633.7 Ų33.714%0.13919%0.185CC..EExtended strand (participates in β ladder)trans-148.5156.7168.4-155.1-5000111.4K2 I40 L47 I109K2-D111 WeakPolarHBondContact CE-OD1 2.92Å; K2-D111 IonicContact NZ-OD1 3.19Å; K2-D111 PolarHBondContact NZ-OD1 3.27Å; K2-D111 IonicContact NZ-OD2 3.96Å; K2-D111 PolarHBondContact NZ-OD2 2.6Å; I40-D111 HydrophobicContact CD1-CB 3.88Å; L47-D111 HydrophobicContact CB-CB 3.76Å; L47-D111 HydrophobicContact CD2-CB 4.22Å; L47-D111 PolarHBondContact N-O 2.8Å; L47-D111 PolarHBondContact O-N 2.85Å; I109-D111 WeakPolarHBondContact CG2-O 3.47Å
112I95.5Very high92.5Very high33 Ų3338.3 Ų38.317%0.16921%0.214CC..EExtended strand (participates in β ladder)trans-134.1142-178.565.6178000111.4I40 L46 I109 V116 A117 I129I40-I112 VanDerWaalsContact CD1-C 3.5Å; L46-I112 HydrophobicContact CD2-CB 4.15Å; L46-I112 HydrophobicContact CD2-CG2 3.62Å; I109-I112 HydrophobicContact CG2-CG2 3.48Å; I109-I112 VanDerWaalsContact CG2-CG2 3.48Å; I112-V116 HydrophobicContact CB-CB 4.4Å; I112-V116 HydrophobicContact CB-CG1 4.45Å; I112-A117 HydrophobicContact CD1-CB 3.84Å; I112-A117 HydrophobicContact CG1-CB 4.34Å; I112-I129 HydrophobicContact CG2-CG1 4.4Å
113G94.9Very high91.5Very high4 Ų445.9 Ų45.94%0.04125%0.246CC..  trans-73.1158.7172.800000112.2P43 Q45 K115 V116 A117P43-G113 CarbonylContact O-C 3.57Å; P43-G113 VanDerWaalsContact O-CA 3.24Å; P43-G113 WeakPolarHBondContact O-CA 3.49Å; Q45-G113 PolarHBondContact O-N 3.36Å; G113-K115 VanDerWaalsContact C-N 3.34Å; G113-K115 PolarHBondContact O-N 2.9Å; G113-V116 WeakPolarHBondContact O-CB 3.3Å; G113-V116 PolarHBondContact O-N 3.28Å; G113-V116 VanDerWaalsContact O-N 3.11Å; G113-A117 PolarHBondContact O-N 3.39Å
114S94.1Very high90Very high87 Ų8748.4 Ų48.461%0.60827%0.273SS*.Hα-helixtrans-62.2-34.8-173.654.50000114.2P43 A117 L118P43-S114 WeakPolarHBondContact CB-OG 3.25Å; P43-S114 PolarHBondContact O-N 3.37Å; S114-A117 PolarHBondContact O-N 3.13Å; S114-L118 WeakPolarHBondContact O-CB 3.41Å; S114-L118 PolarHBondContact O-N 3.4Å
115K92.9Very high88.5Confident128 Ų12852.3 Ų52.356%0.55729%0.294SS*.Hα-helixtrans-69.8-35.4175.8-175.4-176.8179.3-171.80111.3P43 D44 G113 L118 S119P43-K115 HydrophobicContact CB-CB 3.82Å; P43-K115 HydrophobicContact CG-CB 4.37Å; P43-K115 WeakPolarHBondContact O-CA 3.41Å; P43-K115 VanDerWaalsContact O-CB 3.27Å; P43-K115 WeakPolarHBondContact O-CB 3.23Å; P43-K115 PolarHBondContact O-N 2.89Å; D44-K115 HydrophobicContact CB-CD 4.17Å; G113-K115 VanDerWaalsContact C-N 3.34Å; G113-K115 PolarHBondContact O-N 2.9Å; K115-L118 PolarHBondContact O-N 3.33Å; K115-S119 WeakPolarHBondContact O-CB 3.45Å; K115-S119 PolarHBondContact O-N 3.38Å
116V92.5Very high87.5Confident7 Ų760.2 Ų60.24%0.04233%0.328CS..Hα-helixtrans-65-47.9173.6-173.80000110.1P43 L46 I112 G113 L118 S119 N120 L127 A157P43-V116 PolarHBondContact O-N 3.49Å; L46-V116 HydrophobicContact CD2-CB 4.47Å; L46-V116 HydrophobicContact CD2-CG1 3.89Å; L46-V116 HydrophobicContact CD2-CG2 4.24Å; I112-V116 HydrophobicContact CB-CB 4.4Å; I112-V116 HydrophobicContact CB-CG1 4.45Å; G113-V116 WeakPolarHBondContact O-CB 3.3Å; G113-V116 PolarHBondContact O-N 3.28Å; G113-V116 VanDerWaalsContact O-N 3.11Å; V116-L118 VanDerWaalsContact C-N 3.3Å; V116-L118 PolarHBondContact O-N 3.23Å; V116-S119 WeakPolarHBondContact O-CB 3.49Å; V116-S119 PolarHBondContact O-N 3.1Å; V116-S119 VanDerWaalsContact O-N 3.1Å; V116-N120 PolarHBondContact O-N 3.48Å; V116-L127 HydrophobicContact CG1-CB 4.2Å; V116-A157 HydrophobicContact CG1-CB 4.46Å; V116-A157 HydrophobicContact CG2-CB 3.74Å
117A87.6Confident87.3Confident35 Ų3561.1 Ų61.129%0.28933%0.333SS..Hα-helixtrans-56.1-4517700000111.7I112 G113 S114 N120 L121I112-A117 HydrophobicContact CD1-CB 3.84Å; I112-A117 HydrophobicContact CG1-CB 4.34Å; G113-A117 PolarHBondContact O-N 3.39Å; S114-A117 PolarHBondContact O-N 3.13Å; A117-N120 PolarHBondContact O-N 2.92Å; A117-L121 PolarHBondContact O-N 2.81Å
118L86Confident87.1Confident106 Ų10665.5 Ų65.556%0.55536%0.355SS*.Hα-helixtrans-63.2-41.4175.8-175.565.1000112.6S114 K115 V116 N120 L121 T122S114-L118 WeakPolarHBondContact O-CB 3.41Å; S114-L118 PolarHBondContact O-N 3.4Å; K115-L118 PolarHBondContact O-N 3.33Å; V116-L118 VanDerWaalsContact C-N 3.3Å; V116-L118 PolarHBondContact O-N 3.23Å; L118-N120 VanDerWaalsContact C-N 3.3Å; L118-N120 PolarHBondContact O-N 3.12Å; L118-L121 PolarHBondContact O-N 2.77Å; L118-T122 HydrophobicContact CD1-CG2 4.33Å; L118-T122 WeakPolarHBondContact O-CG2 3.44Å; L118-T122 PolarHBondContact O-N 2.82Å; L118-T122 VanDerWaalsContact O-N 3.12Å; L118-T122 PolarHBondContact O-OG1 2.92Å
119S87.5Confident87Confident27 Ų2764.7 Ų64.719%0.18935%0.353CS..Hα-helixtrans-63.7-35.6177.2-171.90000112.4K115 V116 L121 T122 K123 N125K115-S119 WeakPolarHBondContact O-CB 3.45Å; K115-S119 PolarHBondContact O-N 3.38Å; V116-S119 WeakPolarHBondContact O-CB 3.49Å; V116-S119 PolarHBondContact O-N 3.1Å; V116-S119 VanDerWaalsContact O-N 3.1Å; S119-L121 VanDerWaalsContact C-N 3.35Å; S119-T122 PolarHBondContact O-N 3.38Å; S119-K123 WeakPolarHBondContact O-CB 3.5Å; S119-K123 PolarHBondContact O-N 2.98Å; S119-N125 PolarHBondContact OG-ND2 3.41Å
120N82.5Confident86.8Confident23 Ų2366.3 Ų66.312%0.12337%0.369CS..Hα-helixtrans-65.8-39.6177.6-66-17.3000111.4V116 A117 L118 G124 N125 L127V116-N120 PolarHBondContact O-N 3.48Å; A117-N120 PolarHBondContact O-N 2.92Å; L118-N120 VanDerWaalsContact C-N 3.3Å; L118-N120 PolarHBondContact O-N 3.12Å; N120-G124 PolarHBondContact O-N 3.09Å; N120-N125 WeakPolarHBondContact CA-O 3.13Å; N120-N125 WeakPolarHBondContact CB-O 3.23Å; N120-N125 WeakPolarHBondContact OD1-CB 3.29Å; N120-N125 PolarHBondContact OD1-O 2.86Å; N120-L127 PolarHBondContact ND2-O 3.2Å
121L78.1Confident86.8Confident152 Ų15267.1 Ų67.180%0.79637%0.374SS*.Hα-helixtrans-67.1-37.2176.9-67.1172.8000112.8A117 L118 S119A117-L121 PolarHBondContact O-N 2.81Å; L118-L121 PolarHBondContact O-N 2.77Å; S119-L121 VanDerWaalsContact C-N 3.35Å
122T77.1Confident86.8Confident97 Ų9768.8 Ų68.860%0.59538%0.383SS*.Hα-helixtrans-96.1-28.8-169.951.50000114.2L118 S119L118-T122 HydrophobicContact CD1-CG2 4.33Å; L118-T122 WeakPolarHBondContact O-CG2 3.44Å; L118-T122 PolarHBondContact O-N 2.82Å; L118-T122 VanDerWaalsContact O-N 3.12Å; L118-T122 PolarHBondContact O-OG1 2.92Å; S119-T122 PolarHBondContact O-N 3.38Å
123K75Confident87Confident158 Ų15867.2 Ų67.269%0.68738%0.375SS*.Hα-helixtrans-118.3-2-174.3-59.3-174.8178.7-1780113.9S119 N125S119-K123 WeakPolarHBondContact O-CB 3.5Å; S119-K123 PolarHBondContact O-N 2.98Å; K123-N125 PolarHBondContact O-N 3.08Å
124G66Low87.1Confident54 Ų5467 Ų6756%0.55737%0.373SS*.  trans68.615.1-176.800000114.3N120 K126N120-G124 PolarHBondContact O-N 3.09Å; G124-K126 PolarHBondContact O-N 3.41Å
125N66.4Low87.3Confident81 Ų8162.9 Ų62.943%0.43334%0.344SS..  trans-60.3136.2173.7-76.1-3.6000109.7S119 N120 K123S119-N125 PolarHBondContact OG-ND2 3.41Å; N120-N125 WeakPolarHBondContact CA-O 3.13Å; N120-N125 WeakPolarHBondContact CB-O 3.23Å; N120-N125 WeakPolarHBondContact OD1-CB 3.29Å; N120-N125 PolarHBondContact OD1-O 2.86Å; K123-N125 PolarHBondContact O-N 3.08Å
126K77.4Confident87.6Confident166 Ų16656.8 Ų56.872%0.72232%0.318SS*.  trans-99.727-172.9-63.7-172.4179.5179.40113.7G124 I128 T131G124-K126 PolarHBondContact O-N 3.41Å; K126-I128 PolarHBondContact O-N 3.32Å; K126-T131 WeakPolarHBondContact O-CG2 3.39Å; K126-T131 PolarHBondContact O-OG1 2.85Å
127L94Very high87.7Confident19 Ų1956.5 Ų56.510%0.09932%0.316CS..  trans-84.371.2175.2-62-178.8000109.7L46 I109 V116 N120 V133 A157 V160 P162L46-L127 HydrophobicContact CD1-CD1 4.38Å; I109-L127 HydrophobicContact CD1-CB 3.98Å; I109-L127 HydrophobicContact CD1-CD2 4.08Å; V116-L127 HydrophobicContact CG1-CB 4.2Å; N120-L127 PolarHBondContact ND2-O 3.2Å; L127-V133 HydrophobicContact CD2-CG1 3.89Å; L127-A157 HydrophobicContact CD1-CB 4.13Å; L127-V160 HydrophobicContact CD1-CG2 3.91Å; L127-V160 HydrophobicContact CD2-CG2 4.22Å; L127-P162 HydrophobicContact CD2-CG 4.15Å
128I93.6Very high88Confident92 Ų9257.8 Ų57.847%0.47231%0.313SS..  trans-105.1165.2178.360.5171000110.7I109 K126 G130 T131I109-I128 WeakPolarHBondContact CB-O 3.34Å; K126-I128 PolarHBondContact O-N 3.32Å; I128-G130 PolarHBondContact O-N 2.88Å; I128-T131 WeakPolarHBondContact CG1-OG1 3.12Å; I128-T131 PolarHBondContact N-OG1 2.64Å; I128-T131 VanDerWaalsContact O-CB 3.28Å; I128-T131 WeakPolarHBondContact O-CB 3.46Å; I128-T131 PolarHBondContact O-N 2.91Å; I128-T131 PolarHBondContact O-OG1 3.35Å; I128-T131 VanDerWaalsContact O-OG1 3.1Å
129I94.6Very high88.2Confident56 Ų5653.2 Ų53.229%0.28729%0.29SS..THydrogen-bonded Turntrans-56.9131.2171.8-63.9169.2000109K2 I112K2-I129 HydrophobicContact CB-CD1 4.47Å; K2-I129 HydrophobicContact CG-CD1 3.55Å; I112-I129 HydrophobicContact CG2-CG1 4.4Å
130G94.4Very high88.2Confident33 Ų3352.4 Ų52.434%0.3428%0.283SS..THydrogen-bonded Turntrans95.8-15.9-175.500000114.4Q108 I109 I128 N132Q108-G130 WeakPolarHBondContact CG-O 3.35Å; Q108-G130 PolarHBondContact NE2-O 2.93Å; I109-G130 PolarHBondContact O-N 2.94Å; I128-G130 PolarHBondContact O-N 2.88Å; G130-N132 PolarHBondContact O-N 3.45Å
131T95.8Very high88.5Confident26 Ų2651.5 Ų51.516%0.1628%0.279CS..  trans-65128.9176-60.80000110.2Q108 I109 K126 I128 V133Q108-T131 WeakPolarHBondContact CA-O 3.48Å; I109-T131 HydrophobicContact CD1-CG2 4.46Å; I109-T131 PolarHBondContact N-O 3.35Å; K126-T131 WeakPolarHBondContact O-CG2 3.39Å; K126-T131 PolarHBondContact O-OG1 2.85Å; I128-T131 WeakPolarHBondContact CG1-OG1 3.12Å; I128-T131 PolarHBondContact N-OG1 2.64Å; I128-T131 VanDerWaalsContact O-CB 3.28Å; I128-T131 WeakPolarHBondContact O-CB 3.46Å; I128-T131 PolarHBondContact O-N 2.91Å; I128-T131 PolarHBondContact O-OG1 3.35Å; I128-T131 VanDerWaalsContact O-OG1 3.1Å; T131-V133 HydrophobicContact CG2-CG1 3.98Å
132N97.6Very high89Confident60 Ų6044.3 Ų44.332%0.32124%0.241SC..EExtended strand (participates in β ladder)trans-77.2135.3169.1-65.9-23000109.1G107 G130 L163 F169G107-N132 CarbonylContact O-C 3.33Å; G107-N132 VanDerWaalsContact O-CA 3.3Å; G107-N132 WeakPolarHBondContact O-CA 3.49Å; G130-N132 PolarHBondContact O-N 3.45Å; N132-L163 HydrophobicContact CB-CB 3.91Å; N132-L163 HydrophobicContact CB-CD2 4.16Å; N132-L163 WeakPolarHBondContact O-CB 3.32Å; N132-L163 PolarHBondContact O-N 2.88Å; N132-F169 HydrophobicContact CB-CE1 4.07Å; N132-F169 HydrophobicContact CB-CZ 4.12Å
133V98.3Very high89.3Confident0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans-139.2160.6-175.6-66.40000111.2I48 S106 G107 I109 L127 T131 V160 A161I48-V133 HydrophobicContact CD1-CG2 4.06Å; I48-V133 HydrophobicContact CG1-CG2 4.09Å; I48-V133 HydrophobicContact CG2-CG2 4.12Å; S106-V133 CarbonylContact C-O 3.52Å; S106-V133 VanDerWaalsContact CA-O 3.24Å; S106-V133 WeakPolarHBondContact CA-O 3.31Å; G107-V133 PolarHBondContact N-O 3.03Å; G107-V133 PolarHBondContact O-N 2.95Å; I109-V133 HydrophobicContact CD1-CG1 3.78Å; I109-V133 HydrophobicContact CG1-CG1 3.91Å; I109-V133 HydrophobicContact CG1-CG2 4.02Å; L127-V133 HydrophobicContact CD2-CG1 3.89Å; T131-V133 HydrophobicContact CG2-CG1 3.98Å; V133-V160 HydrophobicContact CB-CB 4.35Å; V133-A161 VanDerWaalsContact CA-O 3.23Å; V133-A161 WeakPolarHBondContact CA-O 3.44Å; V133-A161 WeakPolarHBondContact CB-O 3.17Å
134A98.4Very high89.6Confident0 Ų035.1 Ų35.10%020%0.199CC..EExtended strand (participates in β ladder)trans-127.2157.5162.800000110.3F105 V160 A161 A172 L386 L390F105-A134 WeakPolarHBondContact O-CA 3.36Å; A134-V160 CarbonylContact O-C 3.56Å; A134-V160 VanDerWaalsContact O-CA 3.25Å; A134-V160 WeakPolarHBondContact O-CA 2.84Å; A134-A161 PolarHBondContact N-O 3.36Å; A134-A161 PolarHBondContact O-N 2.74Å; A134-A172 HydrophobicContact CB-CB 3.82Å; A134-L386 VanDerWaalsContact O-CD2 3.28Å; A134-L386 WeakPolarHBondContact O-CD2 3.32Å; A134-L390 HydrophobicContact CB-CD1 4.3Å
135G98.2Very high90.5Very high1 Ų132.9 Ų32.91%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-166.8169.9-179.200000112.8F105 Y159F105-G135 WeakPolarHBondContact CD1-O 3.38Å; F105-G135 PolarHBondContact N-O 3.38Å; F105-G135 PolarHBondContact O-N 3.27Å; G135-Y159 WeakPolarHBondContact CA-O 3.43Å
136A97.8Very high91.7Very high0 Ų029.1 Ų29.10%016%0.156CC..EExtended strand (participates in β ladder)trans-138.2134.7171.700000110.1R103 D104 L180 F379 P381R103-A136 CarbonylContact O-C 3.5Å; R103-A136 VanDerWaalsContact O-CA 3.27Å; R103-A136 WeakPolarHBondContact O-CA 3.08Å; D104-A136 WeakPolarHBondContact OD1-CB 3.4Å; A136-L180 HydrophobicContact CB-CD1 4.12Å; A136-F379 HydrophobicContact CB-CE2 3.81Å; A136-F379 HydrophobicContact CB-CZ 3.57Å; A136-P381 WeakPolarHBondContact O-CG 3.33Å
137T95.7Very high92.6Very high0 Ų021.3 Ų21.30%012%0.122CC..  trans-100.7160.5-177.664.40000112.4R103 F105 S146 I153 F379R103-T137 WeakPolarHBondContact CD-O 3.4Å; R103-T137 PolarHBondContact O-N 3.49Å; F105-T137 HydrophobicContact CD1-CG2 4.42Å; F105-T137 HydrophobicContact CE1-CG2 3.85Å; T137-S146 PolarHBondContact OG1-O 3.13Å; T137-I153 HydrophobicContact CG2-CD1 3.79Å; T137-F379 VanDerWaalsContact O-CE1 3.23Å; T137-F379 WeakPolarHBondContact O-CE1 3.36Å
138W93.1Very high92.7Very high62 Ų6220.4 Ų20.424%0.23512%0.117CC..  trans-67.5144.1171.9-73104.6000111.8R103 F140 L141 Y159 F379 K380 P381R103-W138 PolarHBondContact NH1-O 2.87Å; W138-F140 VanDerWaalsContact C-N 3.29Å; W138-F140 HydrophobicContact CB-CD1 3.52Å; W138-F140 HydrophobicContact CB-CE1 3.34Å; W138-F140 HydrophobicContact CB-CG 4.45Å; W138-F140 HydrophobicContact CB-CZ 4.17Å; W138-F140 AromaticContact CD1-CE1 3.96Å; W138-F140 AromaticContact CD2-CE1 3.98Å; W138-F140 HydrophobicContact CD2-CE1 3.98Å; W138-F140 HydrophobicContact CE3-CE1 4.47Å; W138-F140 HydrophobicContact CG-CD1 4.11Å; W138-F140 AromaticContact CG-CE1 3.49Å; W138-F140 HydrophobicContact CG-CE1 3.49Å; W138-F140 VanDerWaalsContact CG-CE1 3.49Å; W138-F140 HydrophobicContact CG-CZ 4.27Å; W138-F140 PolarHBondContact O-N 3.17Å; W138-L141 HydrophobicContact CB-CD1 4.03Å; W138-L141 HydrophobicContact CB-CG 4.15Å; W138-L141 PolarHBondContact O-N 3.21Å; W138-Y159 AromaticContact CD1-CE2 3.65Å; W138-Y159 AromaticContact CD1-CZ 3.67Å; W138-Y159 AromaticContact NE1-CZ 3.69Å; W138-Y159 PolarHBondContact NE1-OH 3.29Å; W138-F379 HydrophobicContact CD2-CE1 4.49Å; W138-F379 HydrophobicContact CE3-CD1 4.06Å; W138-F379 HydrophobicContact CE3-CE1 4.43Å; W138-F379 WeakPolarHBondContact CH2-O 3.44Å; W138-F379 HydrophobicContact CZ3-CD1 4.29Å; W138-F379 WeakPolarHBondContact CZ3-O 3.34Å; W138-K380 HydrophobicContact CH2-CB 4.13Å; W138-K380 HydrophobicContact CH2-CG 4.35Å; W138-K380 HydrophobicContact CZ2-CB 4.29Å; W138-K380 HydrophobicContact CZ2-CG 4.08Å; W138-P381 HydrophobicContact CD2-CG 4.2Å; W138-P381 HydrophobicContact CG-CG 4.13Å; W138-P381 HydrophobicContact CZ2-CG 4.49Å; W138-P381 VanDerWaalsContact NE1-CD 3.35Å
139P91.1Very high92.9Very high11 Ų1116 Ų167%0.07110%0.095CC..G310 helixtrans-49.6-41172.3-33.639.6000115.5L62 F71 R103 L141 S142L62-P139 HydrophobicContact CD1-CB 3.94Å; L62-P139 HydrophobicContact CD2-CB 4.01Å; F71-P139 HydrophobicContact CE1-CB 4.27Å; F71-P139 HydrophobicContact CE2-CB 4Å; F71-P139 HydrophobicContact CZ-CB 3.69Å; R103-P139 VanDerWaalsContact NH1-C 3.33Å; R103-P139 PolarHBondContact NH1-O 2.76Å; P139-L141 PolarHBondContact O-N 2.79Å; P139-L141 VanDerWaalsContact O-N 3.14Å; P139-S142 PolarHBondContact O-N 3.23Å; P139-S142 PolarHBondContact O-OG 2.96Å; P139-S142 VanDerWaalsContact O-OG 3.11Å
140F87.6Confident93.1Very high9 Ų913.6 Ų13.64%0.0398%0.083CC..G310 helixtrans-71.5-9.4-175.272.2-91.5000114.8F71 L74 R75 F84 W138F71-F140 HydrophobicContact CB-CB 3.79Å; F71-F140 HydrophobicContact CD1-CB 3.62Å; F71-F140 HydrophobicContact CE1-CB 4.39Å; F71-F140 HydrophobicContact CG-CB 3.8Å; L74-F140 HydrophobicContact CD2-CB 4.45Å; L74-F140 HydrophobicContact CD2-CD1 3.73Å; L74-F140 HydrophobicContact CD2-CD2 4.13Å; L74-F140 HydrophobicContact CD2-CE1 3.9Å; L74-F140 HydrophobicContact CD2-CE2 4.27Å; L74-F140 HydrophobicContact CD2-CG 3.86Å; L74-F140 HydrophobicContact CD2-CZ 4.18Å; R75-F140 PolarHBondContact NH1-O 3.41Å; F84-F140 HydrophobicContact CD1-CZ 4.05Å; F84-F140 HydrophobicContact CD2-CZ 4.48Å; F84-F140 HydrophobicContact CE1-CZ 4.06Å; F84-F140 HydrophobicContact CE2-CZ 4.47Å; F84-F140 HydrophobicContact CG-CE2 4.39Å; F84-F140 HydrophobicContact CG-CZ 4.27Å; F84-F140 HydrophobicContact CZ-CZ 4.26Å; W138-F140 VanDerWaalsContact C-N 3.29Å; W138-F140 HydrophobicContact CB-CD1 3.52Å; W138-F140 HydrophobicContact CB-CE1 3.34Å; W138-F140 HydrophobicContact CB-CG 4.45Å; W138-F140 HydrophobicContact CB-CZ 4.17Å; W138-F140 AromaticContact CD1-CE1 3.96Å; W138-F140 AromaticContact CD2-CE1 3.98Å; W138-F140 HydrophobicContact CD2-CE1 3.98Å; W138-F140 HydrophobicContact CE3-CE1 4.47Å; W138-F140 HydrophobicContact CG-CD1 4.11Å; W138-F140 AromaticContact CG-CE1 3.49Å; W138-F140 HydrophobicContact CG-CE1 3.49Å; W138-F140 VanDerWaalsContact CG-CE1 3.49Å; W138-F140 HydrophobicContact CG-CZ 4.27Å; W138-F140 PolarHBondContact O-N 3.17Å
141L88.2Confident93.2Very high5 Ų513.5 Ų13.53%0.0267%0.074CC..G310 helixtrans-93.83.7-177.6-60.5174.9000113.9L86 W138 P139 S143 T144 S146 Y159L86-L141 HydrophobicContact CD2-CD2 3.99Å; W138-L141 HydrophobicContact CB-CD1 4.03Å; W138-L141 HydrophobicContact CB-CG 4.15Å; W138-L141 PolarHBondContact O-N 3.21Å; P139-L141 PolarHBondContact O-N 2.79Å; P139-L141 VanDerWaalsContact O-N 3.14Å; L141-S143 PolarHBondContact O-N 3.28Å; L141-T144 PolarHBondContact O-N 3.06Å; L141-T144 VanDerWaalsContact O-N 3.1Å; L141-T144 PolarHBondContact O-OG1 3.31Å; L141-S146 WeakPolarHBondContact O-CB 3.43Å; L141-S146 PolarHBondContact O-N 3.48Å; L141-Y159 HydrophobicContact CD1-CE2 4.25Å
142S88.1Confident93.3Very high0 Ų013.3 Ų13.30%07%0.07CC..G310 helixtrans-51.8-42.7-179.3-630000113.9F99 T100 R103 P139 T144F99-S142 WeakPolarHBondContact CE2-OG 3.22Å; F99-S142 VanDerWaalsContact CZ-CB 3.4Å; F99-S142 WeakPolarHBondContact CZ-OG 3.42Å; T100-S142 PolarHBondContact N-O 2.65Å; T100-S142 WeakPolarHBondContact O-CB 3.38Å; T100-S142 PolarHBondContact O-OG 2.82Å; R103-S142 PolarHBondContact NH1-OG 3.49Å; R103-S142 PolarHBondContact NH2-OG 3.23Å; P139-S142 PolarHBondContact O-N 3.23Å; P139-S142 PolarHBondContact O-OG 2.96Å; P139-S142 VanDerWaalsContact O-OG 3.11Å; S142-T144 PolarHBondContact O-N 2.9Å
143S83.8Confident93.2Very high17 Ų1710.4 Ų10.412%0.1196%0.055CC..G310 helixtrans-81.5-5.3-173.1-37.60000112.6A95 D96 L141A95-S143 WeakPolarHBondContact O-CB 3.31Å; D96-S143 VanDerWaalsContact C-OG 3.27Å; D96-S143 VanDerWaalsContact O-CB 3.27Å; D96-S143 WeakPolarHBondContact O-CB 3.21Å; D96-S143 PolarHBondContact O-OG 3.12Å; L141-S143 PolarHBondContact O-N 3.28Å
144T82.5Confident93.1Very high46 Ų4610.5 Ų10.528%0.2826%0.055SC..G310 helixtrans-10617.2-171.371.10000112.2L86 L141 S142L86-T144 HydrophobicContact CD1-CG2 4.46Å; L86-T144 HydrophobicContact CD2-CG2 3.46Å; L86-T144 VanDerWaalsContact CD2-CG2 3.46Å; L141-T144 PolarHBondContact O-N 3.06Å; L141-T144 VanDerWaalsContact O-N 3.1Å; L141-T144 PolarHBondContact O-OG1 3.31Å; S142-T144 PolarHBondContact O-N 2.9Å
145G84.8Confident92.9Very high6 Ų610.5 Ų10.56%0.0626%0.055CC..THydrogen-bonded Turntrans8213.1-175.100000114.1I153 V154G145-I153 WeakPolarHBondContact O-CA 3.5Å; G145-I153 WeakPolarHBondContact O-CG1 3.48Å; G145-V154 PolarHBondContact O-N 3.09Å
146S91.5Very high92.7Very high3 Ų310.6 Ų10.62%0.0216%0.056CC..THydrogen-bonded Turntrans-106.916.8179.2-53.90000113.6T137 L141 I153 V154T137-S146 PolarHBondContact OG1-O 3.13Å; L141-S146 WeakPolarHBondContact O-CB 3.43Å; L141-S146 PolarHBondContact O-N 3.48Å; S146-I153 WeakPolarHBondContact O-CD1 3.15Å; S146-V154 WeakPolarHBondContact CB-O 3.49Å; S146-V154 PolarHBondContact OG-O 3.42Å
147G95.3Very high92.6Very high2 Ų211.2 Ų11.22%0.0216%0.061CC..  trans-85.6133.2167.300000111.3T100 P101T100-G147 VanDerWaalsContact O-CA 3.27Å; T100-G147 WeakPolarHBondContact O-CA 3.42Å; P101-G147 CarbonylContact O-C 3.54Å
148S97.4Very high92.5Very high0 Ų016.4 Ų16.40%09%0.089CC..SBendtrans-88.9-7.5-172.962.80000115.4P101 G102 R103 D104 A150P101-S148 PolarHBondContact O-N 2.97Å; G102-S148 VanDerWaalsContact CA-OG 3.31Å; G102-S148 WeakPolarHBondContact CA-OG 3.19Å; G102-S148 PolarHBondContact O-N 3.29Å; G102-S148 PolarHBondContact O-OG 2.94Å; R103-S148 PolarHBondContact N-OG 2.81Å; D104-S148 WeakPolarHBondContact O-CB 3.47Å; D104-S148 PolarHBondContact O-OG 3.47Å; S148-A150 PolarHBondContact O-N 3.45Å
149L97.6Very high92.6Very high0 Ų014.8 Ų14.80%08%0.082CC..SBendtrans-78.252.1169.6-55.6-175.1000111.3A11 W12 A53 L55 T100 P101 V411 F415 I429A11-L149 WeakPolarHBondContact CA-O 3.39Å; W12-L149 HydrophobicContact CB-CB 4.15Å; W12-L149 PolarHBondContact N-O 2.69Å; A53-L149 HydrophobicContact CB-CD2 4.05Å; L55-L149 HydrophobicContact CD2-CD1 4.01Å; L55-L149 HydrophobicContact CD2-CD2 4.16Å; T100-L149 HydrophobicContact CG2-CB 4.44Å; P101-L149 HydrophobicContact CB-CD1 3.8Å; P101-L149 HydrophobicContact CB-CG 4.47Å; P101-L149 HydrophobicContact CG-CD1 4.19Å; P101-L149 WeakPolarHBondContact O-CG 3.49Å; P101-L149 PolarHBondContact O-N 3.11Å; L149-V411 HydrophobicContact CD1-CG1 3.82Å; L149-F415 HydrophobicContact CD1-CE2 3.67Å; L149-F415 HydrophobicContact CD1-CZ 4.01Å; L149-I429 HydrophobicContact CD2-CD1 3.51Å; L149-I429 HydrophobicContact CD2-CG1 4.16Å
150A97.1Very high92.9Very high4 Ų414.3 Ų14.33%0.0338%0.08CC..BIsolated β-bridgetrans-150.3157.5179.700000109.6I9 S10 A11 V50 T100 S148 Y152I9-A150 HydrophobicContact CD1-CB 4.35Å; S10-A150 WeakPolarHBondContact O-CA 3.44Å; A11-A150 HydrophobicContact CB-CB 3.73Å; V50-A150 WeakPolarHBondContact CB-O 3.32Å; V50-A150 WeakPolarHBondContact CG2-O 3.33Å; T100-A150 HydrophobicContact CG2-CB 4.05Å; S148-A150 PolarHBondContact O-N 3.45Å; A150-Y152 PolarHBondContact O-N 2.89Å
151E97.4Very high93.4Very high32 Ų3214 Ų1415%0.158%0.078CC..SBendtrans-64.8-26.1176.6-69.9173.4165.600113I9 S10 K49 V50 V431 N433I9-E151 WeakPolarHBondContact CA-OE2 3.25Å; I9-E151 HydrophobicContact CB-CB 4.32Å; I9-E151 WeakPolarHBondContact CB-OE2 3.45Å; S10-E151 VanDerWaalsContact CB-CD 3.44Å; S10-E151 WeakPolarHBondContact CB-OE1 3.21Å; S10-E151 VanDerWaalsContact N-CD 3.3Å; S10-E151 PolarHBondContact N-OE2 3.42Å; S10-E151 PolarHBondContact O-N 3.31Å; S10-E151 PolarHBondContact OG-OE1 3.11Å; K49-E151 CarbonylContact C-O 3.41Å; K49-E151 WeakPolarHBondContact CA-O 3.39Å; V50-E151 PolarHBondContact N-O 3.22Å; E151-V431 HydrophobicContact CG-CG1 4.45Å; E151-N433 WeakPolarHBondContact CB-OD1 3.46Å; E151-N433 WeakPolarHBondContact CG-OD1 3.21Å
152Y97.3Very high93.8Very high21 Ų2116.1 Ų16.18%0.0829%0.093CC..EExtended strand (participates in β ladder)trans-137.9144.7-179.5-61.9-101.4000111.3L5 P6 I9 M37 I48 K49 V110 A150L5-Y152 HydrophobicContact CD2-CE1 4.28Å; P6-Y152 HydrophobicContact CG-CE2 4.25Å; I9-Y152 HydrophobicContact CB-CD2 4.11Å; I9-Y152 HydrophobicContact CD1-CD2 4.24Å; I9-Y152 HydrophobicContact CG2-CD2 3.47Å; I9-Y152 VanDerWaalsContact CG2-CD2 3.47Å; I9-Y152 HydrophobicContact CG2-CE2 3.86Å; I9-Y152 HydrophobicContact CG2-CG 4.39Å; M37-Y152 HydrophobicContact CE-CD1 3.98Å; M37-Y152 HydrophobicContact CE-CD2 3.7Å; M37-Y152 HydrophobicContact CE-CE1 4.07Å; M37-Y152 HydrophobicContact CE-CE2 3.81Å; M37-Y152 HydrophobicContact CE-CG 3.8Å; M37-Y152 HydrophobicContact SD-CD1 4Å; M37-Y152 HydrophobicContact SD-CD2 4.08Å; M37-Y152 HydrophobicContact SD-CG 3.69Å; I48-Y152 VanDerWaalsContact O-CA 3.25Å; I48-Y152 WeakPolarHBondContact O-CA 3.19Å; K49-Y152 HydrophobicContact CB-CD1 3.97Å; K49-Y152 HydrophobicContact CB-CE1 3.65Å; K49-Y152 HydrophobicContact CD-CE1 4.12Å; K49-Y152 HydrophobicContact CG-CD1 4.35Å; K49-Y152 HydrophobicContact CG-CE1 3.79Å; V110-Y152 HydrophobicContact CG2-CD1 4.08Å; V110-Y152 HydrophobicContact CG2-CE1 4.1Å; A150-Y152 PolarHBondContact O-N 2.89Å
153I96.5Very high94.2Very high0 Ų017.1 Ų17.10%010%0.098CC..EExtended strand (participates in β ladder)trans-134.1143.2179.5-167.6-179.8000110.5I48 V50 F105 T137 G145 S146I48-I153 HydrophobicContact CB-CG2 3.85Å; I48-I153 HydrophobicContact CG2-CG2 4.26Å; I48-I153 PolarHBondContact N-O 3.06Å; I48-I153 PolarHBondContact O-N 3.06Å; V50-I153 HydrophobicContact CG2-CB 4.04Å; V50-I153 HydrophobicContact CG2-CG2 3.68Å; F105-I153 HydrophobicContact CD1-CD1 3.61Å; F105-I153 HydrophobicContact CD1-CG2 4.38Å; F105-I153 HydrophobicContact CD2-CG2 4.24Å; F105-I153 HydrophobicContact CE1-CD1 3.85Å; F105-I153 HydrophobicContact CE2-CG2 4.46Å; F105-I153 HydrophobicContact CG-CD1 4.29Å; F105-I153 HydrophobicContact CG-CG2 4.2Å; T137-I153 HydrophobicContact CG2-CD1 3.79Å; G145-I153 WeakPolarHBondContact O-CA 3.5Å; G145-I153 WeakPolarHBondContact O-CG1 3.48Å; S146-I153 WeakPolarHBondContact O-CD1 3.15Å
154V95.5Very high94.9Very high2 Ų217.4 Ų17.41%0.01210%0.099CC..EExtended strand (participates in β ladder)trans-98.9128.6166.2172.70000109.5P38 Q45 L46 L47 G145 S146P38-V154 HydrophobicContact CB-CB 4.5Å; P38-V154 HydrophobicContact CB-CG2 3.69Å; P38-V154 HydrophobicContact CG-CG2 4.08Å; Q45-V154 HydrophobicContact CB-CG1 3.93Å; Q45-V154 HydrophobicContact CG-CG1 3.76Å; L46-V154 WeakPolarHBondContact O-CA 3.34Å; L47-V154 HydrophobicContact CD1-CG2 3.66Å; G145-V154 PolarHBondContact O-N 3.09Å; S146-V154 WeakPolarHBondContact CB-O 3.49Å; S146-V154 PolarHBondContact OG-O 3.42Å
155C95.3Very high95.5Very high0 Ų021.5 Ų21.50%013%0.13CC..EExtended strand (participates in β ladder)trans-141.8136.8-176.7-166.20000111.4Q45 L46 I48 F105 Y159 V160Q45-C155 CarbonylContact C-O 3.51Å; Q45-C155 WeakPolarHBondContact CA-O 3.47Å; L46-C155 PolarHBondContact N-O 2.8Å; L46-C155 PolarHBondContact O-N 3.12Å; I48-C155 HydrophobicContact CD1-CB 4.04Å; F105-C155 HydrophobicContact CE1-CB 4.21Å; F105-C155 HydrophobicContact CZ-CB 3.85Å; C155-Y159 VanDerWaalsContact SG-CB 3.58Å; C155-V160 HydrophobicContact CB-CG1 4.37Å
156P93.6Very high96.1Very high3 Ų326.1 Ų26.12%0.01915%0.153CC..EExtended strand (participates in β ladder)trans-55.7140.7167.5-26.936.8000112.6D158 Y159P156-D158 PolarHBondContact O-N 3.02Å; P156-Y159 HydrophobicContact CB-CD1 4.17Å; P156-Y159 HydrophobicContact CB-CD2 4.06Å; P156-Y159 HydrophobicContact CB-CE1 4.2Å; P156-Y159 HydrophobicContact CB-CE2 4.09Å; P156-Y159 HydrophobicContact CB-CG 4.09Å; P156-Y159 HydrophobicContact CG-CD2 3.85Å; P156-Y159 HydrophobicContact CG-CE1 4.45Å; P156-Y159 HydrophobicContact CG-CE2 3.58Å; P156-Y159 HydrophobicContact CG-CG 4.39Å; P156-Y159 WeakPolarHBondContact O-CB 3.41Å; P156-Y159 PolarHBondContact O-N 3.29Å
157A95Very high96.4Very high12 Ų1226.5 Ų26.510%0.09916%0.155CC..G310 helixtrans-60.6-31.8-178.600000113.1D44 L46 V116 L127 Y159 V160D44-A157 WeakPolarHBondContact O-CB 3.46Å; D44-A157 PolarHBondContact O-N 3.22Å; L46-A157 HydrophobicContact CD1-CB 4.26Å; L46-A157 HydrophobicContact CG-CB 4.27Å; V116-A157 HydrophobicContact CG1-CB 4.46Å; V116-A157 HydrophobicContact CG2-CB 3.74Å; L127-A157 HydrophobicContact CD1-CB 4.13Å; A157-Y159 PolarHBondContact O-N 2.98Å; A157-Y159 VanDerWaalsContact O-N 3.12Å; A157-V160 VanDerWaalsContact O-CG2 3.25Å; A157-V160 WeakPolarHBondContact O-CG2 3.36Å; A157-V160 PolarHBondContact O-N 3.31Å
158D93.8Very high96.5Very high110 Ų11029.1 Ų29.159%0.58817%0.173SC*.G310 helixtrans-72.2-2.1178.8-65.2-17.5000113.5P156 S383P156-D158 PolarHBondContact O-N 3.02Å; D158-S383 WeakPolarHBondContact O-CB 3.05Å; D158-S383 PolarHBondContact O-N 2.86Å; D158-S383 PolarHBondContact O-OG 3.05Å
159Y96.1Very high96.5Very high27 Ų2731.8 Ų31.811%0.10619%0.185CC..G310 helixtrans-103.6-5.1177.7-60.60.8000112.3G135 W138 L141 C155 P156 A157 P381G135-Y159 WeakPolarHBondContact CA-O 3.43Å; W138-Y159 AromaticContact CD1-CE2 3.65Å; W138-Y159 AromaticContact CD1-CZ 3.67Å; W138-Y159 AromaticContact NE1-CZ 3.69Å; W138-Y159 PolarHBondContact NE1-OH 3.29Å; L141-Y159 HydrophobicContact CD1-CE2 4.25Å; C155-Y159 VanDerWaalsContact SG-CB 3.58Å; P156-Y159 HydrophobicContact CB-CD1 4.17Å; P156-Y159 HydrophobicContact CB-CD2 4.06Å; P156-Y159 HydrophobicContact CB-CE1 4.2Å; P156-Y159 HydrophobicContact CB-CE2 4.09Å; P156-Y159 HydrophobicContact CB-CG 4.09Å; P156-Y159 HydrophobicContact CG-CD2 3.85Å; P156-Y159 HydrophobicContact CG-CE1 4.45Å; P156-Y159 HydrophobicContact CG-CE2 3.58Å; P156-Y159 HydrophobicContact CG-CG 4.39Å; P156-Y159 WeakPolarHBondContact O-CB 3.41Å; P156-Y159 PolarHBondContact O-N 3.29Å; A157-Y159 PolarHBondContact O-N 2.98Å; A157-Y159 VanDerWaalsContact O-N 3.12Å; Y159-P381 HydrophobicContact CD1-CB 3.43Å; Y159-P381 VanDerWaalsContact CD1-CB 3.43Å; Y159-P381 HydrophobicContact CD1-CG 4.2Å; Y159-P381 HydrophobicContact CD2-CB 3.88Å; Y159-P381 HydrophobicContact CD2-CG 3.99Å; Y159-P381 HydrophobicContact CE1-CB 3.93Å; Y159-P381 HydrophobicContact CE1-CG 4.32Å; Y159-P381 HydrophobicContact CE2-CB 4.33Å; Y159-P381 HydrophobicContact CE2-CG 4.11Å; Y159-P381 HydrophobicContact CG-CB 3.42Å; Y159-P381 VanDerWaalsContact CG-CB 3.42Å; Y159-P381 HydrophobicContact CG-CG 4.06Å
160V97.4Very high96.5Very high2 Ų233.4 Ų33.41%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-115.7151.1-176.3-56.70000112L46 I48 F105 L127 V133 A134 C155 A157 S383L46-V160 HydrophobicContact CD1-CB 4.4Å; L46-V160 HydrophobicContact CD1-CG1 4.29Å; L46-V160 HydrophobicContact CD1-CG2 3.31Å; I48-V160 HydrophobicContact CD1-CG1 4.07Å; F105-V160 HydrophobicContact CE2-CG1 4.01Å; F105-V160 HydrophobicContact CZ-CG1 3.63Å; L127-V160 HydrophobicContact CD1-CG2 3.91Å; L127-V160 HydrophobicContact CD2-CG2 4.22Å; V133-V160 HydrophobicContact CB-CB 4.35Å; A134-V160 CarbonylContact O-C 3.56Å; A134-V160 VanDerWaalsContact O-CA 3.25Å; A134-V160 WeakPolarHBondContact O-CA 2.84Å; C155-V160 HydrophobicContact CB-CG1 4.37Å; A157-V160 VanDerWaalsContact O-CG2 3.25Å; A157-V160 WeakPolarHBondContact O-CG2 3.36Å; A157-V160 PolarHBondContact O-N 3.31Å; V160-S383 WeakPolarHBondContact O-CB 3.49Å
161A97.2Very high96.5Very high1 Ų134.8 Ų34.81%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-124.3146.4169.800000110V133 A134 L386 D387 L390V133-A161 VanDerWaalsContact CA-O 3.23Å; V133-A161 WeakPolarHBondContact CA-O 3.44Å; V133-A161 WeakPolarHBondContact CB-O 3.17Å; A134-A161 PolarHBondContact N-O 3.36Å; A134-A161 PolarHBondContact O-N 2.74Å; A161-L386 HydrophobicContact CB-CB 4Å; A161-L386 HydrophobicContact CB-CD2 4.11Å; A161-L386 HydrophobicContact CB-CG 3.89Å; A161-D387 HydrophobicContact CB-CB 3.87Å; A161-L390 HydrophobicContact CB-CD1 3.74Å
162P96.9Very high96.6Very high51 Ų5133.3 Ų33.333%0.33120%0.196SC..EExtended strand (participates in β ladder)trans-55.9138.8169.3-20.732.7000110.9L127 P164L127-P162 HydrophobicContact CD2-CG 4.15Å; P162-P164 WeakPolarHBondContact O-CD 3.36Å
163L97.2Very high96.6Very high20 Ų2032.3 Ų32.311%0.10519%0.192CC..PPolyproline II helixtrans-87.3119.9177.3-176.961.4000109.6N132 V167 F169 A172 L390N132-L163 HydrophobicContact CB-CB 3.91Å; N132-L163 HydrophobicContact CB-CD2 4.16Å; N132-L163 WeakPolarHBondContact O-CB 3.32Å; N132-L163 PolarHBondContact O-N 2.88Å; L163-V167 HydrophobicContact CD1-CB 3.79Å; L163-V167 HydrophobicContact CD1-CG1 3.72Å; L163-F169 HydrophobicContact CD2-CD1 3.72Å; L163-F169 HydrophobicContact CD2-CE1 3.77Å; L163-F169 HydrophobicContact CD2-CG 4.33Å; L163-F169 HydrophobicContact CD2-CZ 4.43Å; L163-A172 HydrophobicContact CD1-CB 3.38Å; L163-A172 HydrophobicContact CD2-CB 4.48Å; L163-L390 HydrophobicContact CD1-CD2 4.07Å
164P97Very high96.7Very high24 Ų2432.3 Ų32.316%0.15619%0.192CC..PPolyproline II helixtrans-57.9142.6171.6-24.234.8000111.4P162 N166 V167 L390P162-P164 WeakPolarHBondContact O-CD 3.36Å; P164-N166 WeakPolarHBondContact CB-OD1 3.13Å; P164-N166 PolarHBondContact O-N 3.08Å; P164-N166 VanDerWaalsContact O-N 3.13Å; P164-V167 HydrophobicContact CB-CB 4.49Å; P164-V167 HydrophobicContact CB-CG2 3.97Å; P164-V167 HydrophobicContact CG-CG2 4.19Å; P164-V167 PolarHBondContact O-N 3.27Å; P164-L390 HydrophobicContact CG-CB 4.29Å
165S96Very high96.8Very high132 Ų13232.2 Ų32.292%0.92319%0.192SC*.THydrogen-bonded Turntrans-63-23.5-171.953.20000114.4
166N97.4Very high96.9Very high102 Ų10232.3 Ų32.355%0.54519%0.192SC..THydrogen-bonded Turntrans-91.8-0.1177.364.4-35.8000113.7P164 S394P164-N166 WeakPolarHBondContact CB-OD1 3.13Å; P164-N166 PolarHBondContact O-N 3.08Å; P164-N166 VanDerWaalsContact O-N 3.13Å; N166-S394 PolarHBondContact ND2-O 3.2Å; N166-S394 PolarHBondContact ND2-OG 3.26Å; N166-S394 PolarHBondContact OD1-OG 3.17Å
167V97.8Very high97.1Very high11 Ų1133.7 Ų33.77%0.06720%0.197CC..SBendtrans-101.7124.1176.7-178.90000109.3L163 P164 A172 L390 V393L163-V167 HydrophobicContact CD1-CB 3.79Å; L163-V167 HydrophobicContact CD1-CG1 3.72Å; P164-V167 HydrophobicContact CB-CB 4.49Å; P164-V167 HydrophobicContact CB-CG2 3.97Å; P164-V167 HydrophobicContact CG-CG2 4.19Å; P164-V167 PolarHBondContact O-N 3.27Å; V167-A172 HydrophobicContact CG1-CB 4.16Å; V167-L390 HydrophobicContact CG1-CD2 4.35Å; V167-V393 HydrophobicContact CG1-CG1 3.96Å; V167-V393 HydrophobicContact CG2-CB 4.42Å; V167-V393 HydrophobicContact CG2-CG1 4.07Å
168S97.3Very high97.2Very high58 Ų5833.1 Ų33.141%0.40619%0.193SC..  trans-69.6152.6179.374.20000112I170 S171 A172S168-I170 PolarHBondContact O-N 3.25Å; S168-S171 PolarHBondContact O-N 3.34Å; S168-S171 PolarHBondContact OG-N 3.33Å; S168-S171 VanDerWaalsContact OG-N 3.11Å; S168-S171 PolarHBondContact OG-OG 2.71Å; S168-A172 WeakPolarHBondContact O-CB 3.42Å; S168-A172 PolarHBondContact O-N 2.65Å
169F98Very high97.4Very high55 Ų5527.9 Ų27.924%0.24117%0.165CC..Hα-helixtrans-55.4-39.9171.9-71.8-69.9000111.8K51 A52 S106 N132 L163 A172 A173K51-F169 HydrophobicContact CB-CB 4.01Å; K51-F169 HydrophobicContact CB-CD1 3.69Å; K51-F169 HydrophobicContact CB-CD2 3.99Å; K51-F169 HydrophobicContact CB-CE1 4.12Å; K51-F169 HydrophobicContact CB-CE2 4.37Å; K51-F169 HydrophobicContact CB-CG 3.62Å; K51-F169 HydrophobicContact CB-CZ 4.43Å; K51-F169 HydrophobicContact CG-CD1 4.07Å; K51-F169 HydrophobicContact CG-CD2 4.21Å; K51-F169 HydrophobicContact CG-CE1 3.95Å; K51-F169 HydrophobicContact CG-CE2 4.09Å; K51-F169 HydrophobicContact CG-CG 4.2Å; K51-F169 HydrophobicContact CG-CZ 3.95Å; A52-F169 HydrophobicContact CB-CB 4.23Å; S106-F169 WeakPolarHBondContact CB-O 3.13Å; S106-F169 WeakPolarHBondContact OG-CA 3.41Å; S106-F169 VanDerWaalsContact OG-CB 3.27Å; S106-F169 WeakPolarHBondContact OG-CB 3.4Å; S106-F169 WeakPolarHBondContact OG-CD1 3.28Å; S106-F169 PolarHBondContact OG-O 2.84Å; N132-F169 HydrophobicContact CB-CE1 4.07Å; N132-F169 HydrophobicContact CB-CZ 4.12Å; L163-F169 HydrophobicContact CD2-CD1 3.72Å; L163-F169 HydrophobicContact CD2-CE1 3.77Å; L163-F169 HydrophobicContact CD2-CG 4.33Å; L163-F169 HydrophobicContact CD2-CZ 4.43Å; F169-A172 PolarHBondContact O-N 3.1Å; F169-A173 WeakPolarHBondContact O-CB 3.44Å; F169-A173 PolarHBondContact O-N 3.43Å
170I97.7Very high97.4Very high34 Ų3426.7 Ų26.717%0.17416%0.16CC..Hα-helixtrans-59.2-53.8178.8-63.1-62.1000111.3A52 S168 A172 A173 A174 V402 V405 V428 E430A52-I170 HydrophobicContact CB-CD1 3.94Å; S168-I170 PolarHBondContact O-N 3.25Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 2.88Å; I170-A173 PolarHBondContact O-N 3.47Å; I170-A174 PolarHBondContact O-N 3.45Å; I170-A174 VanDerWaalsContact O-N 3.11Å; I170-V402 HydrophobicContact CG2-CG1 4.43Å; I170-V402 HydrophobicContact CG2-CG2 4.25Å; I170-V405 HydrophobicContact CD1-CG1 3.86Å; I170-V405 HydrophobicContact CG2-CG2 3.86Å; I170-V428 HydrophobicContact CB-CG1 4.38Å; I170-V428 HydrophobicContact CD1-CG1 3.63Å; I170-V428 HydrophobicContact CG2-CB 4.28Å; I170-V428 HydrophobicContact CG2-CG1 3.98Å; I170-V428 HydrophobicContact CG2-CG2 4.22Å; I170-E430 HydrophobicContact CD1-CB 4.13Å; I170-E430 HydrophobicContact CD1-CG 4.35Å
171S97.1Very high97.5Very high34 Ų3427 Ų2724%0.23816%0.162CC..Hα-helixtrans-64.1-38.3-179.7-62.50000111.8S168 A174 L175S168-S171 PolarHBondContact O-N 3.34Å; S168-S171 PolarHBondContact OG-N 3.33Å; S168-S171 VanDerWaalsContact OG-N 3.11Å; S168-S171 PolarHBondContact OG-OG 2.71Å; S171-A174 PolarHBondContact O-N 3.25Å; S171-L175 PolarHBondContact O-N 2.98Å
172A97.9Very high97.5Very high1 Ų127 Ų271%0.00816%0.162CC..Hα-helixtrans-69.1-41179.900000113A134 L163 V167 S168 F169 I170 A174 L175 L390A134-A172 HydrophobicContact CB-CB 3.82Å; L163-A172 HydrophobicContact CD1-CB 3.38Å; L163-A172 HydrophobicContact CD2-CB 4.48Å; V167-A172 HydrophobicContact CG1-CB 4.16Å; S168-A172 WeakPolarHBondContact O-CB 3.42Å; S168-A172 PolarHBondContact O-N 2.65Å; F169-A172 PolarHBondContact O-N 3.1Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 2.88Å; A172-A174 PolarHBondContact O-N 3.19Å; A172-L175 PolarHBondContact O-N 2.83Å; A172-L175 VanDerWaalsContact O-N 3.13Å; A172-L390 HydrophobicContact CB-CD2 4.02Å
173A98.1Very high97.6Very high0 Ų026.2 Ų26.20%015%0.153CC..Hα-helixtrans-65.8-29174.100000111.7A52 S54 D104 F169 I170 L175A52-A173 HydrophobicContact CB-CB 3.72Å; S54-A173 WeakPolarHBondContact CB-O 3.5Å; S54-A173 PolarHBondContact OG-O 3.09Å; D104-A173 WeakPolarHBondContact CB-O 3.46Å; F169-A173 WeakPolarHBondContact O-CB 3.44Å; F169-A173 PolarHBondContact O-N 3.43Å; I170-A173 PolarHBondContact O-N 3.47Å; A173-L175 VanDerWaalsContact C-N 3.28Å; A173-L175 PolarHBondContact O-N 3.47Å
174A98Very high97.6Very high0 Ų025.7 Ų25.70%015%0.15CC..Hα-helixtrans-74.5-14.6174.400000113.9I170 S171 A172 I400 V402 K426 V428I170-A174 PolarHBondContact O-N 3.45Å; I170-A174 VanDerWaalsContact O-N 3.11Å; S171-A174 PolarHBondContact O-N 3.25Å; A172-A174 PolarHBondContact O-N 3.19Å; A174-I400 HydrophobicContact CB-CG2 3.41Å; A174-I400 VanDerWaalsContact CB-CG2 3.41Å; A174-V402 HydrophobicContact CB-CG2 3.92Å; A174-K426 HydrophobicContact CB-CB 3.77Å; A174-K426 HydrophobicContact CB-CG 4.09Å; A174-K426 WeakPolarHBondContact O-CE 3.27Å; A174-K426 WeakPolarHBondContact O-CG 3.19Å; A174-V428 HydrophobicContact CB-CG2 3.74Å
175L98Very high97.7Very high0 Ų024.5 Ų24.50%014%0.143CC..Hα-helixtrans-87.3-42.1-174.8173.860.6000113.5S171 A172 A173 Y177 G179 I217 L386 L389 L390 V393 L398 I400S171-L175 PolarHBondContact O-N 2.98Å; A172-L175 PolarHBondContact O-N 2.83Å; A172-L175 VanDerWaalsContact O-N 3.13Å; A173-L175 VanDerWaalsContact C-N 3.28Å; A173-L175 PolarHBondContact O-N 3.47Å; L175-Y177 PolarHBondContact O-N 3.27Å; L175-G179 VanDerWaalsContact O-CA 3.32Å; L175-G179 WeakPolarHBondContact O-CA 3.3Å; L175-G179 PolarHBondContact O-N 2.95Å; L175-I217 HydrophobicContact CD1-CD1 4.15Å; L175-L386 HydrophobicContact CD2-CD1 4.11Å; L175-L386 HydrophobicContact CG-CD1 4.15Å; L175-L389 HydrophobicContact CD1-CB 4.11Å; L175-L389 HydrophobicContact CD1-CD1 4.23Å; L175-L389 HydrophobicContact CD2-CB 3.79Å; L175-L389 HydrophobicContact CG-CB 4.37Å; L175-L390 HydrophobicContact CD2-CD2 3.78Å; L175-L390 HydrophobicContact CD2-CG 3.98Å; L175-V393 HydrophobicContact CD2-CG2 4.11Å; L175-L398 HydrophobicContact CD1-CD2 4.14Å; L175-I400 HydrophobicContact CB-CD1 4.14Å; L175-I400 HydrophobicContact CB-CG1 4.32Å; L175-I400 HydrophobicContact CD1-CD1 3.63Å; L175-I400 HydrophobicContact CG-CD1 4.32Å
176G97.1Very high97.8Very high1 Ų118.2 Ų18.21%0.0110%0.099CC..Hα-helixtrans-42.6-76.4-162.800000116D104 L180D104-G176 VanDerWaalsContact OD1-CA 3.25Å; D104-G176 WeakPolarHBondContact OD1-CA 3.32Å; G176-L180 WeakPolarHBondContact O-CB 3.42Å; G176-L180 WeakPolarHBondContact O-CD1 3.33Å; G176-L180 WeakPolarHBondContact O-CG 3.27Å; G176-L180 PolarHBondContact O-N 3.15Å
177Y97.4Very high97.8Very high32 Ų3214.5 Ų14.513%0.1258%0.08CC..Hα-helixtrans-69.1-45.2-170.1-170.4-82000110.6N56 V58 R103 D104 L175 T181 F379N56-Y177 HydrophobicContact CB-CD1 4.18Å; V58-Y177 HydrophobicContact CG1-CE1 3.98Å; V58-Y177 HydrophobicContact CG1-CE2 4.01Å; R103-Y177 HydrophobicContact CB-CD2 3.82Å; R103-Y177 HydrophobicContact CB-CE2 4.5Å; R103-Y177 HydrophobicContact CG-CD2 3.92Å; R103-Y177 HydrophobicContact CG-CE2 4.1Å; D104-Y177 VanDerWaalsContact OD1-CB 3.29Å; D104-Y177 WeakPolarHBondContact OD1-CB 3.39Å; D104-Y177 PolarHBondContact OD1-N 3.35Å; D104-Y177 VanDerWaalsContact OD2-CB 3.3Å; D104-Y177 WeakPolarHBondContact OD2-CB 3.29Å; L175-Y177 PolarHBondContact O-N 3.27Å; Y177-T181 VanDerWaalsContact O-CB 3.24Å; Y177-T181 WeakPolarHBondContact O-CB 3.24Å; Y177-T181 PolarHBondContact O-N 3.45Å; Y177-T181 PolarHBondContact O-OG1 2.92Å; Y177-F379 HydrophobicContact CD1-CD2 4.42Å; Y177-F379 HydrophobicContact CD2-CB 4.33Å; Y177-F379 AromaticContact CD2-CD1 3.89Å; Y177-F379 HydrophobicContact CD2-CD1 3.89Å; Y177-F379 AromaticContact CD2-CD2 3.47Å; Y177-F379 HydrophobicContact CD2-CD2 3.47Å; Y177-F379 VanDerWaalsContact CD2-CD2 3.47Å; Y177-F379 AromaticContact CD2-CE1 4Å; Y177-F379 HydrophobicContact CD2-CE1 4Å; Y177-F379 AromaticContact CD2-CE2 3.62Å; Y177-F379 HydrophobicContact CD2-CE2 3.62Å; Y177-F379 AromaticContact CD2-CG 3.61Å; Y177-F379 HydrophobicContact CD2-CG 3.61Å; Y177-F379 AromaticContact CD2-CZ 3.87Å; Y177-F379 HydrophobicContact CD2-CZ 3.87Å; Y177-F379 HydrophobicContact CE1-CB 4.24Å; Y177-F379 HydrophobicContact CE1-CG 4.48Å; Y177-F379 HydrophobicContact CE2-CB 3.62Å; Y177-F379 AromaticContact CE2-CD1 3.48Å; Y177-F379 HydrophobicContact CE2-CD1 3.48Å; Y177-F379 VanDerWaalsContact CE2-CD1 3.48Å; Y177-F379 AromaticContact CE2-CD2 3.65Å; Y177-F379 HydrophobicContact CE2-CD2 3.65Å; Y177-F379 AromaticContact CE2-CE1 4Å; Y177-F379 HydrophobicContact CE2-CE1 4Å; Y177-F379 HydrophobicContact CE2-CE2 4.17Å; Y177-F379 AromaticContact CE2-CG 3.26Å; Y177-F379 HydrophobicContact CE2-CG 3.26Å; Y177-F379 HydrophobicContact CE2-CZ 4.32Å; Y177-F379 AromaticContact CG-CD2 3.88Å; Y177-F379 HydrophobicContact CG-CD2 3.88Å; Y177-F379 HydrophobicContact CG-CE2 4.1Å; Y177-F379 HydrophobicContact CG-CG 4.36Å; Y177-F379 AromaticContact CZ-CG 3.74Å
178A97Very high97.7Very high0 Ų018.7 Ų18.70%010%0.102CC..Hα-helixtrans-67.1-43.7-178.600000112T181 A182 V214 I217 K426A178-T181 PolarHBondContact O-N 3.11Å; A178-A182 WeakPolarHBondContact O-CB 3.49Å; A178-A182 PolarHBondContact O-N 3.49Å; A178-V214 HydrophobicContact CB-CG2 4.15Å; A178-I217 HydrophobicContact CB-CD1 3.86Å; A178-K426 HydrophobicContact CB-CD 4.04Å
179G97.9Very high97.6Very high0 Ų016.8 Ų16.80%09%0.089CC..Hα-helixtrans-68.9-43.6178.800000112.8L175 T181 A182 W183L175-G179 VanDerWaalsContact O-CA 3.32Å; L175-G179 WeakPolarHBondContact O-CA 3.3Å; L175-G179 PolarHBondContact O-N 2.95Å; G179-T181 VanDerWaalsContact C-N 3.3Å; G179-T181 PolarHBondContact O-N 3Å; G179-A182 WeakPolarHBondContact O-CB 3.25Å; G179-A182 PolarHBondContact O-N 2.9Å; G179-W183 PolarHBondContact O-N 3Å
180L98.2Very high97.5Very high2 Ų214.3 Ų14.31%0.018%0.08CC..Hα-helixtrans-65.7-33.8174.8-69.8169.3000112.1A136 G176 S184 F379 N382 V385 L386A136-L180 HydrophobicContact CB-CD1 4.12Å; G176-L180 WeakPolarHBondContact O-CB 3.42Å; G176-L180 WeakPolarHBondContact O-CD1 3.33Å; G176-L180 WeakPolarHBondContact O-CG 3.27Å; G176-L180 PolarHBondContact O-N 3.15Å; L180-S184 WeakPolarHBondContact O-CB 3.27Å; L180-S184 PolarHBondContact O-N 2.82Å; L180-S184 PolarHBondContact O-OG 2.99Å; L180-F379 HydrophobicContact CB-CD2 4.19Å; L180-F379 HydrophobicContact CB-CE2 3.93Å; L180-F379 HydrophobicContact CD1-CE2 3.82Å; L180-F379 HydrophobicContact CD1-CZ 4.38Å; L180-N382 HydrophobicContact CD2-CB 4.18Å; L180-V385 HydrophobicContact CD2-CB 3.86Å; L180-V385 HydrophobicContact CD2-CG1 3.67Å; L180-L386 HydrophobicContact CD2-CB 4.35Å
181T97.8Very high97.2Very high10 Ų1015.1 Ų15.16%0.06110%0.096CC..Hα-helixtrans-68.6-42.9172.7-57.40000111.3Y177 A178 G179 W183 S184 A185 V214 L324Y177-T181 VanDerWaalsContact O-CB 3.24Å; Y177-T181 WeakPolarHBondContact O-CB 3.24Å; Y177-T181 PolarHBondContact O-N 3.45Å; Y177-T181 PolarHBondContact O-OG1 2.92Å; A178-T181 PolarHBondContact O-N 3.11Å; G179-T181 VanDerWaalsContact C-N 3.3Å; G179-T181 PolarHBondContact O-N 3Å; T181-W183 VanDerWaalsContact C-N 3.35Å; T181-W183 PolarHBondContact O-N 3.38Å; T181-S184 PolarHBondContact O-N 2.61Å; T181-A185 WeakPolarHBondContact O-CB 3.45Å; T181-A185 PolarHBondContact O-N 3.38Å; T181-V214 HydrophobicContact CG2-CG1 4.21Å; T181-V214 HydrophobicContact CG2-CG2 4.04Å; T181-L324 HydrophobicContact CG2-CD1 4.11Å; T181-L324 HydrophobicContact CG2-CD2 3.84Å
182A98.1Very high97.1Very high0 Ų013.9 Ų13.90%09%0.087CC..Hα-helixtrans-60.2-44.9174.900000111.3A178 G179 A185 L186 V214 I217 A218A178-A182 WeakPolarHBondContact O-CB 3.49Å; A178-A182 PolarHBondContact O-N 3.49Å; G179-A182 WeakPolarHBondContact O-CB 3.25Å; G179-A182 PolarHBondContact O-N 2.9Å; A182-A185 PolarHBondContact O-N 2.96Å; A182-L186 WeakPolarHBondContact O-CB 3.45Å; A182-L186 WeakPolarHBondContact O-CG 3.38Å; A182-L186 PolarHBondContact O-N 3.37Å; A182-V214 HydrophobicContact CB-CG1 4Å; A182-I217 HydrophobicContact CB-CB 4.24Å; A182-I217 HydrophobicContact CB-CG2 3.89Å; A182-A218 HydrophobicContact CB-CB 4.1Å
183W98.3Very high96.9Very high35 Ų3517.7 Ų17.713%0.13311%0.107CC..Hα-helixtrans-59.3-52174.9180-81.6000111.9G179 T181 A185 L186 V187 P194 W225 V385 Y388G179-W183 PolarHBondContact O-N 3Å; T181-W183 VanDerWaalsContact C-N 3.35Å; T181-W183 PolarHBondContact O-N 3.38Å; W183-A185 PolarHBondContact O-N 3.46Å; W183-A185 VanDerWaalsContact O-N 3.17Å; W183-L186 PolarHBondContact O-N 2.85Å; W183-V187 HydrophobicContact CD2-CB 4.2Å; W183-V187 HydrophobicContact CD2-CG2 3.8Å; W183-V187 HydrophobicContact CE3-CG2 4.05Å; W183-V187 HydrophobicContact CG-CB 4.41Å; W183-V187 HydrophobicContact CG-CG2 4.32Å; W183-V187 HydrophobicContact CH2-CG2 4.32Å; W183-V187 HydrophobicContact CZ2-CB 4.29Å; W183-V187 HydrophobicContact CZ2-CG1 3.95Å; W183-V187 HydrophobicContact CZ2-CG2 4.05Å; W183-V187 HydrophobicContact CZ3-CG2 4.3Å; W183-V187 WeakPolarHBondContact O-CB 3.36Å; W183-V187 PolarHBondContact O-N 3.03Å; W183-P194 HydrophobicContact CH2-CB 4.43Å; W183-P194 HydrophobicContact CH2-CG 3.67Å; W183-P194 HydrophobicContact CZ2-CG 4.33Å; W183-P194 HydrophobicContact CZ3-CG 3.94Å; W183-W225 HydrophobicContact CE3-CH2 4.19Å; W183-W225 HydrophobicContact CE3-CZ2 4.45Å; W183-W225 HydrophobicContact CZ3-CH2 4.23Å; W183-W225 HydrophobicContact CZ3-CZ2 4.11Å; W183-V385 HydrophobicContact CB-CG1 3.68Å; W183-V385 HydrophobicContact CD2-CB 4.33Å; W183-V385 HydrophobicContact CD2-CG1 3.37Å; W183-V385 HydrophobicContact CD2-CG2 4.02Å; W183-V385 HydrophobicContact CE3-CG1 3.76Å; W183-V385 HydrophobicContact CG-CB 4.39Å; W183-V385 HydrophobicContact CG-CG1 3.31Å; W183-V385 HydrophobicContact CG-CG2 4.16Å; W183-V385 HydrophobicContact CZ2-CG2 3.99Å; W183-Y388 HydrophobicContact CE3-CD1 4.38Å; W183-Y388 HydrophobicContact CH2-CD1 4.3Å; W183-Y388 HydrophobicContact CH2-CE1 4.48Å; W183-Y388 AromaticContact CZ3-CD1 3.59Å; W183-Y388 HydrophobicContact CZ3-CD1 3.59Å; W183-Y388 AromaticContact CZ3-CE1 3.69Å; W183-Y388 HydrophobicContact CZ3-CE1 3.69Å; W183-Y388 HydrophobicContact CZ3-CG 4.39Å
184S98.1Very high96.6Very high8 Ų819 Ų196%0.05612%0.116CC..Iπ-helixtrans-57.6-34.7179.9-56.50000111.2L180 T181 D188 A189L180-S184 WeakPolarHBondContact O-CB 3.27Å; L180-S184 PolarHBondContact O-N 2.82Å; L180-S184 PolarHBondContact O-OG 2.99Å; T181-S184 PolarHBondContact O-N 2.61Å; S184-D188 WeakPolarHBondContact O-CB 3.29Å; S184-D188 PolarHBondContact O-N 2.84Å; S184-A189 WeakPolarHBondContact O-CB 3.43Å; S184-A189 PolarHBondContact O-N 3.22Å
185A98.2Very high96.2Very high0 Ų023.3 Ų23.30%015%0.151CC..Iπ-helixtrans-72.4-48.2177.500000113.8T181 A182 W183 G190 L268 I322 L324 V377T181-A185 WeakPolarHBondContact O-CB 3.45Å; T181-A185 PolarHBondContact O-N 3.38Å; A182-A185 PolarHBondContact O-N 2.96Å; W183-A185 PolarHBondContact O-N 3.46Å; W183-A185 VanDerWaalsContact O-N 3.17Å; A185-G190 WeakPolarHBondContact O-CA 3.23Å; A185-G190 PolarHBondContact O-N 2.78Å; A185-L268 HydrophobicContact CB-CD1 3.7Å; A185-L268 HydrophobicContact CB-CD2 4.32Å; A185-I322 HydrophobicContact CB-CG2 3.87Å; A185-L324 HydrophobicContact CB-CD2 3.87Å; A185-V377 HydrophobicContact CB-CG1 4.41Å; A185-V377 HydrophobicContact CB-CG2 4.22Å
186L98Very high95.7Very high0 Ų028.5 Ų28.50%018%0.177CC..Iπ-helixtrans-78.5-46.8-175.2-65.9-179.9000112.2A182 W183 G190 G191 I192 I205 A218 L221 W225 L266 L268A182-L186 WeakPolarHBondContact O-CB 3.45Å; A182-L186 WeakPolarHBondContact O-CG 3.38Å; A182-L186 PolarHBondContact O-N 3.37Å; W183-L186 PolarHBondContact O-N 2.85Å; L186-G190 CarbonylContact O-C 3.59Å; L186-G190 VanDerWaalsContact O-CA 3.23Å; L186-G190 WeakPolarHBondContact O-CA 3.38Å; L186-G191 PolarHBondContact O-N 3.24Å; L186-I192 HydrophobicContact CB-CD1 4.14Å; L186-I192 HydrophobicContact CD2-CD1 4.06Å; L186-I192 WeakPolarHBondContact O-CB 3.14Å; L186-I192 VanDerWaalsContact O-CG1 3.31Å; L186-I192 WeakPolarHBondContact O-CG1 3.26Å; L186-I192 PolarHBondContact O-N 3.31Å; L186-I205 HydrophobicContact CD2-CD1 3.46Å; L186-I205 VanDerWaalsContact CD2-CD1 3.46Å; L186-A218 HydrophobicContact CD1-CB 4.04Å; L186-A218 HydrophobicContact CG-CB 4.42Å; L186-L221 HydrophobicContact CD1-CB 3.92Å; L186-L221 HydrophobicContact CD1-CD1 4.39Å; L186-W225 HydrophobicContact CB-CZ3 3.99Å; L186-W225 HydrophobicContact CD1-CZ3 3.86Å; L186-L266 HydrophobicContact CD2-CD2 4.39Å; L186-L268 HydrophobicContact CD2-CD2 4.34Å
187V97.2Very high94.9Very high24 Ų2435.8 Ų35.815%0.14521%0.209CC..Iπ-helixtrans-89.9-61.8-172.2-179.80000110.2W183 G191 P194 W225W183-V187 HydrophobicContact CD2-CB 4.2Å; W183-V187 HydrophobicContact CD2-CG2 3.8Å; W183-V187 HydrophobicContact CE3-CG2 4.05Å; W183-V187 HydrophobicContact CG-CB 4.41Å; W183-V187 HydrophobicContact CG-CG2 4.32Å; W183-V187 HydrophobicContact CH2-CG2 4.32Å; W183-V187 HydrophobicContact CZ2-CB 4.29Å; W183-V187 HydrophobicContact CZ2-CG1 3.95Å; W183-V187 HydrophobicContact CZ2-CG2 4.05Å; W183-V187 HydrophobicContact CZ3-CG2 4.3Å; W183-V187 WeakPolarHBondContact O-CB 3.36Å; W183-V187 PolarHBondContact O-N 3.03Å; V187-G191 VanDerWaalsContact O-CA 3.24Å; V187-G191 WeakPolarHBondContact O-CA 3.27Å; V187-G191 PolarHBondContact O-N 2.86Å; V187-P194 HydrophobicContact CG2-CG 3.69Å; V187-W225 HydrophobicContact CG2-CH2 3.75Å; V187-W225 HydrophobicContact CG2-CZ3 3.98Å
188D95.8Very high94Very high99 Ų9935.3 Ų35.353%0.52921%0.21SC..Iπ-helixtrans-70.3-44.1-170.2-56.9-21.7000111.8S184S184-D188 WeakPolarHBondContact O-CB 3.29Å; S184-D188 PolarHBondContact O-N 2.84Å
189A95.5Very high92.9Very high17 Ų1739.2 Ų39.214%0.1424%0.238CC..Iπ-helixtrans-93.5-39.3-178.900000113.3S184 I322 R375 V377S184-A189 WeakPolarHBondContact O-CB 3.43Å; S184-A189 PolarHBondContact O-N 3.22Å; A189-I322 HydrophobicContact CB-CD1 3.87Å; A189-I322 HydrophobicContact CB-CG2 4.36Å; A189-R375 HydrophobicContact CB-CB 4Å; A189-R375 HydrophobicContact CB-CG 4.25Å; A189-V377 HydrophobicContact CB-CG2 3.49Å; A189-V377 VanDerWaalsContact CB-CG2 3.49Å
190G95.5Very high91.3Very high4 Ų444 Ų444%0.04127%0.269CS..THydrogen-bonded Turntrans-77.5-26.3179.700000114A185 L186 I192A185-G190 WeakPolarHBondContact O-CA 3.23Å; A185-G190 PolarHBondContact O-N 2.78Å; L186-G190 CarbonylContact O-C 3.59Å; L186-G190 VanDerWaalsContact O-CA 3.23Å; L186-G190 WeakPolarHBondContact O-CA 3.38Å; G190-I192 VanDerWaalsContact C-N 3.33Å
191G93Very high89.9Confident50 Ų5047.6 Ų47.652%0.51529%0.294SS..  trans74.621.5-17900000113.8L186 V187L186-G191 PolarHBondContact O-N 3.24Å; V187-G191 VanDerWaalsContact O-CA 3.24Å; V187-G191 WeakPolarHBondContact O-CA 3.27Å; V187-G191 PolarHBondContact O-N 2.86Å
192I94.7Very high89.2Confident8 Ų849.4 Ų49.44%0.04131%0.31CS..  trans-70.2134169.3-56.1-173.9000108.5L186 G190 P194 W225 W227 L266L186-I192 HydrophobicContact CB-CD1 4.14Å; L186-I192 HydrophobicContact CD2-CD1 4.06Å; L186-I192 WeakPolarHBondContact O-CB 3.14Å; L186-I192 VanDerWaalsContact O-CG1 3.31Å; L186-I192 WeakPolarHBondContact O-CG1 3.26Å; L186-I192 PolarHBondContact O-N 3.31Å; G190-I192 VanDerWaalsContact C-N 3.33Å; I192-P194 WeakPolarHBondContact O-CD 3.23Å; I192-W225 HydrophobicContact CG2-CD2 4.43Å; I192-W225 HydrophobicContact CG2-CE3 3.66Å; I192-W225 HydrophobicContact CG2-CZ3 4.18Å; I192-W227 HydrophobicContact CB-CZ2 4.44Å; I192-W227 HydrophobicContact CD1-CD2 3.98Å; I192-W227 HydrophobicContact CD1-CE3 4.32Å; I192-W227 HydrophobicContact CD1-CH2 4.15Å; I192-W227 HydrophobicContact CD1-CZ2 3.81Å; I192-W227 HydrophobicContact CD1-CZ3 4.38Å; I192-W227 HydrophobicContact CG1-CH2 4Å; I192-W227 HydrophobicContact CG1-CZ2 3.55Å; I192-W227 HydrophobicContact CG2-CZ2 4.38Å; I192-L266 HydrophobicContact CD1-CD1 4.31Å; I192-L266 HydrophobicContact CG1-CD1 4.13Å
193N93Very high89Confident82 Ų8252.5 Ų52.544%0.43932%0.322SS..  trans-101.2109.1173-175.9-11.9000109.8A195 I196N193-A195 PolarHBondContact O-N 3.38Å; N193-A195 VanDerWaalsContact O-N 3.13Å; N193-A195 WeakPolarHBondContact OD1-CB 3.21Å; N193-A195 PolarHBondContact OD1-N 2.61Å; N193-I196 HydrophobicContact CB-CD1 4.43Å; N193-I196 HydrophobicContact CB-CG1 4.49Å; N193-I196 PolarHBondContact O-N 2.84Å; N193-I196 VanDerWaalsContact O-N 3.1Å
194P92.1Very high88.9Confident28 Ų2851.1 Ų51.118%0.18232%0.318CS..THydrogen-bonded Turntrans-59.8-22.9179.8-25.936.5000114.6W183 V187 I192 I196 W225W183-P194 HydrophobicContact CH2-CB 4.43Å; W183-P194 HydrophobicContact CH2-CG 3.67Å; W183-P194 HydrophobicContact CZ2-CG 4.33Å; W183-P194 HydrophobicContact CZ3-CG 3.94Å; V187-P194 HydrophobicContact CG2-CG 3.69Å; I192-P194 WeakPolarHBondContact O-CD 3.23Å; P194-I196 VanDerWaalsContact C-N 3.3Å; P194-W225 HydrophobicContact CB-CD2 4.35Å; P194-W225 HydrophobicContact CB-CH2 4.42Å; P194-W225 HydrophobicContact CB-CZ2 3.72Å; P194-W225 HydrophobicContact CG-CH2 3.87Å; P194-W225 HydrophobicContact CG-CZ2 3.65Å; P194-W225 HydrophobicContact CG-CZ3 4.44Å
195A90.3Very high88.8Confident90 Ų9050.8 Ų50.874%0.74432%0.315SS*.THydrogen-bonded Turntrans-77.5-14.8179.700000113.3N193N193-A195 PolarHBondContact O-N 3.38Å; N193-A195 VanDerWaalsContact O-N 3.13Å; N193-A195 WeakPolarHBondContact OD1-CB 3.21Å; N193-A195 PolarHBondContact OD1-N 2.61Å
196I86.4Confident88.8Confident108 Ų10850.8 Ų50.855%0.55432%0.315SS*.SBendtrans-115.9101.8-177.6-55.8175.7000108.1N193 P194 S198N193-I196 HydrophobicContact CB-CD1 4.43Å; N193-I196 HydrophobicContact CB-CG1 4.49Å; N193-I196 PolarHBondContact O-N 2.84Å; N193-I196 VanDerWaalsContact O-N 3.1Å; P194-I196 VanDerWaalsContact C-N 3.3Å; I196-S198 PolarHBondContact O-N 2.85Å
197K80.2Confident88.8Confident155 Ų15550.8 Ų50.867%0.67432%0.315SS*.PPolyproline II helixtrans-64.8120.7169.1-76.4-172176.4-177.70108.8
198S79.2Confident88.8Confident22 Ų2249.6 Ų49.615%0.15431%0.308CS..PPolyproline II helixtrans-72.1149.7172.9-63.30000109.3I196 W225I196-S198 PolarHBondContact O-N 2.85Å; S198-W225 PolarHBondContact N-O 2.95Å; S198-W225 VanDerWaalsContact N-O 3.07Å
199S73.7Confident88.6Confident82 Ų8246 Ų4657%0.57330%0.295SS*.PPolyproline II helixtrans-58.9135.7167.2-178.90000108.3S201 A202S199-S201 PolarHBondContact O-N 2.91Å; S199-S201 VanDerWaalsContact O-N 3.16Å; S199-A202 VanDerWaalsContact O-CB 3.32Å; S199-A202 WeakPolarHBondContact O-CB 3.49Å; S199-A202 PolarHBondContact O-N 3.48Å
200P64.2Low88.6Confident101 Ų10145.2 Ų45.266%0.65629%0.288SS*.THydrogen-bonded Turntrans-49.8128.2168.1-21.631.1000107.9
201S69.4Low88.5Confident77 Ų7745.7 Ų45.754%0.53829%0.29SS..THydrogen-bonded Turntrans89.3-7.2-175.2-46.80000118.3S199 R228S199-S201 PolarHBondContact O-N 2.91Å; S199-S201 VanDerWaalsContact O-N 3.16Å; S201-R228 VanDerWaalsContact CA-NH2 3.35Å; S201-R228 PolarHBondContact OG-NH2 3.29Å; S201-R228 VanDerWaalsContact OG-NH2 3.08Å
202A83.3Confident88.5Confident48 Ų4844.6 Ų44.640%0.39728%0.279SS..SBendtrans-69.7-39.2-178.900000112.8S199S199-A202 VanDerWaalsContact O-CB 3.32Å; S199-A202 WeakPolarHBondContact O-CB 3.49Å; S199-A202 PolarHBondContact O-N 3.48Å
203Y93.1Very high88.5Confident65 Ų6544.8 Ų44.826%0.25528%0.283SS..  trans-139.2147.5-177.5-53.2-67000111.1W227 R228 D265 R318Y203-W227 VanDerWaalsContact CB-CZ3 3.45Å; Y203-W227 HydrophobicContact CD2-CH2 4.42Å; Y203-W227 AromaticContact CD2-CZ2 3.96Å; Y203-W227 HydrophobicContact CD2-CZ2 3.96Å; Y203-W227 AromaticContact CG-CH2 3.98Å; Y203-W227 HydrophobicContact CG-CH2 3.98Å; Y203-W227 AromaticContact CG-CZ2 4Å; Y203-W227 HydrophobicContact CG-CZ2 4Å; Y203-W227 HydrophobicContact CG-CZ3 4.31Å; Y203-R228 PolarHBondContact O-N 2.86Å; Y203-D265 WeakPolarHBondContact CA-OD2 3.29Å; Y203-D265 HydrophobicContact CD1-CB 4.44Å; Y203-R318 VanDerWaalsContact CE1-NH1 3.35Å; Y203-R318 PolarHBondContact OH-NH1 3.24Å
204S95.4Very high88.7Confident6 Ų642 Ų424%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-121.2142.8178610000111.8R228 K263 Y264 D265 L266S204-R228 CarbonylContact C-O 3.53Å; S204-R228 WeakPolarHBondContact CA-O 3.38Å; S204-K263 PolarHBondContact OG-O 3.1Å; S204-Y264 WeakPolarHBondContact OG-CA 3.48Å; S204-D265 PolarHBondContact N-OD2 2.89Å; S204-D265 PolarHBondContact O-N 2.7Å; S204-L266 PolarHBondContact O-N 3.11Å; S204-L266 VanDerWaalsContact O-N 3.16Å
205I97.5Very high88.9Confident0 Ų040.8 Ų40.80%026%0.261CS..EExtended strand (participates in β ladder)trans-124.3136.4173.9-179.4166.7000110.5L186 I207 A222 W227 R228 V229 H230 L266 L268L186-I205 HydrophobicContact CD2-CD1 3.46Å; L186-I205 VanDerWaalsContact CD2-CD1 3.46Å; I205-I207 HydrophobicContact CD1-CD1 4.2Å; I205-I207 HydrophobicContact CD1-CG1 3.87Å; I205-I207 HydrophobicContact CG1-CD1 4.46Å; I205-I207 HydrophobicContact CG1-CG1 3.79Å; I205-A222 HydrophobicContact CG2-CB 3.95Å; I205-W227 HydrophobicContact CB-CE3 4.12Å; I205-W227 HydrophobicContact CG2-CB 4.36Å; I205-W227 HydrophobicContact CG2-CE3 4.38Å; I205-R228 PolarHBondContact N-O 3.24Å; I205-V229 HydrophobicContact CG2-CB 4.28Å; I205-V229 HydrophobicContact CG2-CG1 4.42Å; I205-V229 HydrophobicContact CG2-CG2 3.77Å; I205-H230 PolarHBondContact O-N 3.49Å; I205-L266 CarbonylContact C-O 3.56Å; I205-L266 VanDerWaalsContact CA-O 3.24Å; I205-L266 WeakPolarHBondContact CA-O 3.3Å; I205-L266 HydrophobicContact CB-CB 4.04Å; I205-L266 HydrophobicContact CD1-CB 3.88Å; I205-L266 HydrophobicContact CD1-CD2 3.99Å; I205-L266 HydrophobicContact CG1-CB 3.76Å; I205-L268 HydrophobicContact CD1-CB 4.3Å
206L97.8Very high89.1Confident0 Ų036.7 Ų36.70%023%0.227CC..EExtended strand (participates in β ladder)trans-103.5121.1166.4176.165.2000109.3H230 T232 F252 I258 Y264 L266 I267 L268L206-H230 CarbonylContact C-O 3.48Å; L206-H230 WeakPolarHBondContact CA-O 3.49Å; L206-H230 HydrophobicContact CD1-CB 4.19Å; L206-T232 HydrophobicContact CD1-CG2 4.31Å; L206-F252 HydrophobicContact CD1-CD2 4.13Å; L206-F252 HydrophobicContact CD1-CE2 4.25Å; L206-I258 HydrophobicContact CD1-CD1 4.33Å; L206-I258 HydrophobicContact CD2-CD1 3.58Å; L206-Y264 HydrophobicContact CB-CD1 3.8Å; L206-Y264 HydrophobicContact CB-CD2 3.78Å; L206-Y264 HydrophobicContact CB-CE1 3.88Å; L206-Y264 HydrophobicContact CB-CE2 3.87Å; L206-Y264 HydrophobicContact CB-CG 3.74Å; L206-Y264 HydrophobicContact CD2-CD2 4.16Å; L206-Y264 HydrophobicContact CD2-CE2 3.92Å; L206-Y264 HydrophobicContact CG-CE2 4.33Å; L206-L266 PolarHBondContact N-O 2.82Å; L206-I267 HydrophobicContact CB-CG1 4.29Å; L206-I267 HydrophobicContact CD2-CG2 4.31Å; L206-I267 CarbonylContact O-C 3.56Å; L206-I267 WeakPolarHBondContact O-CA 3.42Å; L206-L268 PolarHBondContact O-N 3.11Å
207I98Very high89.6Confident0 Ų031.6 Ų31.60%020%0.2CC..EExtended strand (participates in β ladder)trans-112117.5177.8-53176.9000109.3I205 A218 A219 V229 H230 V231 T232 L268I205-I207 HydrophobicContact CD1-CD1 4.2Å; I205-I207 HydrophobicContact CD1-CG1 3.87Å; I205-I207 HydrophobicContact CG1-CD1 4.46Å; I205-I207 HydrophobicContact CG1-CG1 3.79Å; I207-A218 HydrophobicContact CD1-CB 4.02Å; I207-A219 VanDerWaalsContact CD1-CA 3.49Å; I207-A219 HydrophobicContact CD1-CB 3.93Å; I207-V229 HydrophobicContact CD1-CG1 4.02Å; I207-H230 PolarHBondContact N-O 3.06Å; I207-V231 HydrophobicContact CB-CG1 4.38Å; I207-V231 CarbonylContact O-C 3.59Å; I207-V231 VanDerWaalsContact O-CA 3.26Å; I207-V231 WeakPolarHBondContact O-CA 3.4Å; I207-T232 PolarHBondContact O-N 3.25Å; I207-L268 HydrophobicContact CG1-CB 4.34Å; I207-L268 HydrophobicContact CG2-CB 4.48Å; I207-L268 HydrophobicContact CG2-CD2 4.22Å; I207-L268 HydrophobicContact CG2-CG 4.39Å
208T96.2Very high90.5Very high0 Ų024.2 Ų24.20%017%0.168CC..THydrogen-bonded Turntrans-87.2153.5175.266.10000113A210 T232 P255 L268 D269 C270 I271 M308T208-A210 PolarHBondContact O-N 3.41Å; T208-T232 WeakPolarHBondContact CA-OG1 3.37Å; T208-T232 WeakPolarHBondContact CB-OG1 3.49Å; T208-T232 HydrophobicContact CG2-CG2 4.08Å; T208-P255 HydrophobicContact CG2-CB 4.24Å; T208-L268 PolarHBondContact N-O 3.17Å; T208-L268 PolarHBondContact OG1-O 3.4Å; T208-D269 VanDerWaalsContact OG1-CA 3.3Å; T208-D269 WeakPolarHBondContact OG1-CA 3.24Å; T208-D269 PolarHBondContact OG1-OD1 3.28Å; T208-C270 WeakPolarHBondContact O-CB 3.37Å; T208-C270 PolarHBondContact O-SG 3.04Å; T208-C270 PolarHBondContact OG1-N 2.91Å; T208-I271 HydrophobicContact CG2-CD1 4.46Å; T208-M308 HydrophobicContact CG2-CE 3.57Å; T208-M308 HydrophobicContact CG2-SD 3.21Å; T208-M308 WeakPolarHBondContact CG2-SD 3.48Å
209G92.8Very high91.3Very high24 Ų2423.1 Ų23.125%0.24716%0.161CC..THydrogen-bonded Turntrans60.438.6178.700000111.6T211 G212 T232G209-T211 PolarHBondContact O-N 2.89Å; G209-G212 PolarHBondContact O-N 3.05Å; G209-T232 PolarHBondContact N-O 2.9Å; G209-T232 PolarHBondContact N-OG1 3.31Å
210A95.1Very high92.5Very high0 Ų020.3 Ų20.30%014%0.138CC..THydrogen-bonded Turntrans-63-19.1-167.100000113.7T208 G212 G215 M216 V231 T232 M243T208-A210 PolarHBondContact O-N 3.41Å; A210-G212 VanDerWaalsContact C-N 3.26Å; A210-G212 PolarHBondContact O-N 3.03Å; A210-G215 CarbonylContact O-C 3.59Å; A210-G215 VanDerWaalsContact O-C 3.3Å; A210-M216 WeakPolarHBondContact O-CA 3.32Å; A210-M216 WeakPolarHBondContact O-CG 3.29Å; A210-M216 PolarHBondContact O-N 3.44Å; A210-V231 HydrophobicContact CB-CB 3.58Å; A210-V231 HydrophobicContact CB-CG1 3.7Å; A210-V231 HydrophobicContact CB-CG2 4.39Å; A210-T232 PolarHBondContact N-O 3.39Å; A210-M243 HydrophobicContact CB-CE 4.43Å; A210-M243 HydrophobicContact CB-SD 3.78Å
211T93.8Very high94Very high13 Ų1315.5 Ų15.58%0.0811%0.107CC..THydrogen-bonded Turntrans-79.7-2.3176.553.50000114.6G209 C233 A239 M243 R424 G425G209-T211 PolarHBondContact O-N 2.89Å; T211-C233 HydrophobicContact CG2-CB 3.72Å; T211-A239 HydrophobicContact CG2-CB 3.77Å; T211-M243 HydrophobicContact CG2-CE 4.04Å; T211-R424 VanDerWaalsContact CB-CD 3.46Å; T211-G425 PolarHBondContact O-N 3.04Å
212G93.2Very high95.3Very high28 Ų2811.8 Ų11.829%0.2898%0.082SC..BIsolated β-bridgetrans-81.2168.1172.500000112.5G209 A210 V214 G215 M216G209-G212 PolarHBondContact O-N 3.05Å; A210-G212 VanDerWaalsContact C-N 3.26Å; A210-G212 PolarHBondContact O-N 3.03Å; G212-V214 PolarHBondContact O-N 2.77Å; G212-G215 PolarHBondContact O-N 2.83Å; G212-M216 WeakPolarHBondContact O-CG 3.46Å; G212-M216 PolarHBondContact O-N 2.9Å
213G94.2Very high95.9Very high11 Ų1112.6 Ų12.611%0.1138%0.076CC..Hα-helixtrans-55.9-46.3-179.200000114I217G213-I217 WeakPolarHBondContact O-CD1 3.29Å; G213-I217 WeakPolarHBondContact O-CG1 3.08Å; G213-I217 PolarHBondContact O-N 3.46Å
214V96.1Very high96Very high25 Ų2511.5 Ų11.515%0.1527%0.074CC..Hα-helixtrans-69.4-46.6178.9-176.80000111.1A178 T181 A182 G212 M216 I217 A218 L324A178-V214 HydrophobicContact CB-CG2 4.15Å; T181-V214 HydrophobicContact CG2-CG1 4.21Å; T181-V214 HydrophobicContact CG2-CG2 4.04Å; A182-V214 HydrophobicContact CB-CG1 4Å; G212-V214 PolarHBondContact O-N 2.77Å; V214-M216 PolarHBondContact O-N 2.92Å; V214-I217 PolarHBondContact O-N 2.78Å; V214-A218 VanDerWaalsContact O-CB 3.26Å; V214-A218 WeakPolarHBondContact O-CB 3.42Å; V214-A218 PolarHBondContact O-N 2.89Å; V214-L324 HydrophobicContact CB-CD1 4.12Å; V214-L324 HydrophobicContact CG1-CD1 3.54Å; V214-L324 HydrophobicContact CG2-CD1 4.38Å
215G96.2Very high96Very high1 Ų111.4 Ų11.41%0.017%0.073CC..Hα-helixtrans-59.4-44.1-177.300000113A210 G212 A218 A219A210-G215 CarbonylContact O-C 3.59Å; A210-G215 VanDerWaalsContact O-C 3.3Å; G212-G215 PolarHBondContact O-N 2.83Å; G215-A218 PolarHBondContact O-N 3.03Å; G215-A219 WeakPolarHBondContact O-CB 3.26Å; G215-A219 PolarHBondContact O-N 3.08Å
216M95.7Very high95.8Very high5 Ų512.1 Ų12.13%0.0258%0.081CC..Hα-helixtrans-68.2-38.5-179.8-67.1-173.469.300112.5A210 G212 V214 Q220 L242 P401A210-M216 WeakPolarHBondContact O-CA 3.32Å; A210-M216 WeakPolarHBondContact O-CG 3.29Å; A210-M216 PolarHBondContact O-N 3.44Å; G212-M216 WeakPolarHBondContact O-CG 3.46Å; G212-M216 PolarHBondContact O-N 2.9Å; V214-M216 PolarHBondContact O-N 2.92Å; M216-Q220 WeakPolarHBondContact O-CG 3.38Å; M216-Q220 PolarHBondContact O-N 3.32Å; M216-Q220 PolarHBondContact O-NE2 3.35Å; M216-Q220 VanDerWaalsContact O-NE2 3.12Å; M216-L242 HydrophobicContact CE-CB 4.41Å; M216-L242 HydrophobicContact CE-CD1 4.11Å; M216-L242 HydrophobicContact CE-CD2 3.94Å; M216-L242 HydrophobicContact CE-CG 4.39Å; M216-L242 HydrophobicContact SD-CD1 4.49Å; M216-P401 HydrophobicContact CB-CG 3.71Å; M216-P401 HydrophobicContact CE-CB 3.23Å; M216-P401 HydrophobicContact CE-CG 3.47Å; M216-P401 VanDerWaalsContact CE-CG 3.47Å; M216-P401 HydrophobicContact CG-CG 4.08Å; M216-P401 HydrophobicContact SD-CB 3.5Å; M216-P401 WeakPolarHBondContact SD-CB 3.03Å; M216-P401 HydrophobicContact SD-CG 3.32Å; M216-P401 WeakPolarHBondContact SD-CG 3.36Å
217I97.3Very high95.6Very high0 Ų012.7 Ų12.70%08%0.083CC..Hα-helixtrans-69.4-44.8176.3-65.4167.3000109.7L175 A178 A182 G213 V214 A219 Q220 L221 L398 I400L175-I217 HydrophobicContact CD1-CD1 4.15Å; A178-I217 HydrophobicContact CB-CD1 3.86Å; A182-I217 HydrophobicContact CB-CB 4.24Å; A182-I217 HydrophobicContact CB-CG2 3.89Å; G213-I217 WeakPolarHBondContact O-CD1 3.29Å; G213-I217 WeakPolarHBondContact O-CG1 3.08Å; G213-I217 PolarHBondContact O-N 3.46Å; V214-I217 PolarHBondContact O-N 2.78Å; I217-A219 VanDerWaalsContact C-N 3.35Å; I217-A219 PolarHBondContact O-N 3.17Å; I217-Q220 PolarHBondContact O-N 3.02Å; I217-L221 HydrophobicContact CG2-CD1 3.84Å; I217-L221 HydrophobicContact CG2-CG 4.22Å; I217-L221 WeakPolarHBondContact O-CG 3.43Å; I217-L221 PolarHBondContact O-N 2.99Å; I217-L398 HydrophobicContact CG2-CD1 4.21Å; I217-L398 HydrophobicContact CG2-CD2 4.3Å; I217-I400 HydrophobicContact CD1-CD1 4.46Å; I217-I400 HydrophobicContact CG1-CD1 4.46Å
218A97.8Very high95.5Very high0 Ų016.5 Ų16.50%010%0.097CC..Hα-helixtrans-61.7-41.2179.800000112.4A182 L186 I207 V214 G215 L221 A222 L268A182-A218 HydrophobicContact CB-CB 4.1Å; L186-A218 HydrophobicContact CD1-CB 4.04Å; L186-A218 HydrophobicContact CG-CB 4.42Å; I207-A218 HydrophobicContact CD1-CB 4.02Å; V214-A218 VanDerWaalsContact O-CB 3.26Å; V214-A218 WeakPolarHBondContact O-CB 3.42Å; V214-A218 PolarHBondContact O-N 2.89Å; G215-A218 PolarHBondContact O-N 3.03Å; A218-L221 PolarHBondContact O-N 2.96Å; A218-A222 VanDerWaalsContact O-CB 3.3Å; A218-A222 WeakPolarHBondContact O-CB 3.07Å; A218-A222 PolarHBondContact O-N 2.87Å; A218-L268 HydrophobicContact CB-CD2 3.54Å
219A97.5Very high95.6Very high0 Ų016.5 Ų16.50%010%0.097CC..Hα-helixtrans-60.2-47.2176.300000111.8I207 G215 I217 A222 K223 V229 L246I207-A219 VanDerWaalsContact CD1-CA 3.49Å; I207-A219 HydrophobicContact CD1-CB 3.93Å; G215-A219 WeakPolarHBondContact O-CB 3.26Å; G215-A219 PolarHBondContact O-N 3.08Å; I217-A219 VanDerWaalsContact C-N 3.35Å; I217-A219 PolarHBondContact O-N 3.17Å; A219-A222 PolarHBondContact O-N 3.35Å; A219-K223 WeakPolarHBondContact O-CG 3.31Å; A219-K223 PolarHBondContact O-N 3.4Å; A219-V229 HydrophobicContact CB-CG1 4.03Å; A219-L246 HydrophobicContact CB-CD1 4.34Å
220Q97.5Very high95.8Very high22 Ų2215.8 Ų15.810%0.1039%0.087CC..Hα-helixtrans-61.7-47.2177.8-76.1176.688.400112.4M216 I217 A222 K223 L224 L246 L398 V399M216-Q220 WeakPolarHBondContact O-CG 3.38Å; M216-Q220 PolarHBondContact O-N 3.32Å; M216-Q220 PolarHBondContact O-NE2 3.35Å; M216-Q220 VanDerWaalsContact O-NE2 3.12Å; I217-Q220 PolarHBondContact O-N 3.02Å; Q220-A222 PolarHBondContact O-N 3.24Å; Q220-K223 PolarHBondContact O-N 3.49Å; Q220-L224 VanDerWaalsContact O-CB 3.32Å; Q220-L224 WeakPolarHBondContact O-CB 3.49Å; Q220-L224 PolarHBondContact O-N 3.48Å; Q220-L246 HydrophobicContact CG-CD1 4.3Å; Q220-L246 HydrophobicContact CG-CD2 3.42Å; Q220-L246 VanDerWaalsContact CG-CD2 3.42Å; Q220-L246 HydrophobicContact CG-CG 4.39Å; Q220-L398 HydrophobicContact CB-CD1 3.69Å; Q220-L398 HydrophobicContact CG-CD1 4.34Å; Q220-V399 PolarHBondContact NE2-O 2.77Å; Q220-V399 PolarHBondContact OE1-O 3.29Å
221L97.2Very high95.9Very high0 Ų015.8 Ų15.80%09%0.087CC..Hα-helixtrans-62-44.1178.4-67.8176.6000111.6L186 I217 A218 K223 L224 W225 L389 L392L186-L221 HydrophobicContact CD1-CB 3.92Å; L186-L221 HydrophobicContact CD1-CD1 4.39Å; I217-L221 HydrophobicContact CG2-CD1 3.84Å; I217-L221 HydrophobicContact CG2-CG 4.22Å; I217-L221 WeakPolarHBondContact O-CG 3.43Å; I217-L221 PolarHBondContact O-N 2.99Å; A218-L221 PolarHBondContact O-N 2.96Å; L221-K223 PolarHBondContact O-N 2.8Å; L221-L224 WeakPolarHBondContact O-CB 3.45Å; L221-L224 PolarHBondContact O-N 3.01Å; L221-W225 HydrophobicContact CB-CD2 4.48Å; L221-W225 HydrophobicContact CB-CE3 4.23Å; L221-W225 HydrophobicContact CB-CH2 3.92Å; L221-W225 HydrophobicContact CB-CZ2 4.14Å; L221-W225 HydrophobicContact CB-CZ3 3.96Å; L221-W225 HydrophobicContact CD1-CH2 4.12Å; L221-W225 HydrophobicContact CD2-CH2 4.42Å; L221-W225 HydrophobicContact CD2-CZ2 4.02Å; L221-W225 HydrophobicContact CG-CH2 4.38Å; L221-W225 HydrophobicContact CG-CZ2 4.45Å; L221-W225 WeakPolarHBondContact O-CB 3.5Å; L221-W225 PolarHBondContact O-N 3.43Å; L221-L389 HydrophobicContact CD1-CD2 3.95Å; L221-L389 HydrophobicContact CD2-CD2 3.94Å; L221-L392 HydrophobicContact CD2-CD1 3.64Å
222A96.4Very high96Very high0 Ų015.3 Ų15.30%08%0.084CC..Hα-helixtrans-62-44.5177.600000112.1I205 A218 A219 Q220 W225 G226 W227 V229I205-A222 HydrophobicContact CG2-CB 3.95Å; A218-A222 VanDerWaalsContact O-CB 3.3Å; A218-A222 WeakPolarHBondContact O-CB 3.07Å; A218-A222 PolarHBondContact O-N 2.87Å; A219-A222 PolarHBondContact O-N 3.35Å; Q220-A222 PolarHBondContact O-N 3.24Å; A222-W225 PolarHBondContact O-N 3.09Å; A222-G226 PolarHBondContact O-N 3.15Å; A222-W227 HydrophobicContact CB-CB 4.21Å; A222-W227 WeakPolarHBondContact O-CB 3.45Å; A222-W227 PolarHBondContact O-N 3.41Å; A222-V229 HydrophobicContact CB-CG2 3.52Å
223K95.1Very high96Very high64 Ų6414.1 Ų14.128%0.2787%0.072SC..Hα-helixtrans-60.6-46.6173.4-70.7-60.7-60.3-156.30111.5A219 Q220 L221 W225 G226 V229 Q247 D249A219-K223 WeakPolarHBondContact O-CG 3.31Å; A219-K223 PolarHBondContact O-N 3.4Å; Q220-K223 PolarHBondContact O-N 3.49Å; L221-K223 PolarHBondContact O-N 2.8Å; K223-W225 PolarHBondContact O-N 3.29Å; K223-G226 PolarHBondContact O-N 3.31Å; K223-V229 HydrophobicContact CD-CB 3.74Å; K223-V229 HydrophobicContact CD-CG2 3.56Å; K223-V229 HydrophobicContact CG-CB 4.17Å; K223-V229 HydrophobicContact CG-CG2 3.77Å; K223-Q247 WeakPolarHBondContact CE-O 3.08Å; K223-Q247 PolarHBondContact NZ-O 2.75Å; K223-D249 VanDerWaalsContact NZ-CG 3.3Å; K223-D249 IonicContact NZ-OD1 2.6Å; K223-D249 PolarHBondContact NZ-OD1 3.32Å; K223-D249 IonicContact NZ-OD2 2.97Å; K223-D249 PolarHBondContact NZ-OD2 3.32Å
224L94.7Very high95.9Very high42 Ų4216.1 Ų16.122%0.228%0.083CC..Hα-helixtrans-57.2-33.9179.1-178.565000112.2Q220 L221 L392 Q397Q220-L224 VanDerWaalsContact O-CB 3.32Å; Q220-L224 WeakPolarHBondContact O-CB 3.49Å; Q220-L224 PolarHBondContact O-N 3.48Å; L221-L224 WeakPolarHBondContact O-CB 3.45Å; L221-L224 PolarHBondContact O-N 3.01Å; L224-L392 HydrophobicContact CD2-CD1 3.77Å; L224-L392 HydrophobicContact CD2-CD2 3.91Å; L224-L392 HydrophobicContact CD2-CG 4.48Å; L224-Q397 HydrophobicContact CD1-CB 4.43Å; L224-Q397 HydrophobicContact CD2-CB 4.43Å
225W95.2Very high95.7Very high4 Ų418.8 Ų18.82%0.01510%0.103CC..THydrogen-bonded Turntrans-90.77178.8-56.1-29.2000114.2W183 L186 V187 I192 P194 S198 L221 A222 K223 Y388W183-W225 HydrophobicContact CE3-CH2 4.19Å; W183-W225 HydrophobicContact CE3-CZ2 4.45Å; W183-W225 HydrophobicContact CZ3-CH2 4.23Å; W183-W225 HydrophobicContact CZ3-CZ2 4.11Å; L186-W225 HydrophobicContact CB-CZ3 3.99Å; L186-W225 HydrophobicContact CD1-CZ3 3.86Å; V187-W225 HydrophobicContact CG2-CH2 3.75Å; V187-W225 HydrophobicContact CG2-CZ3 3.98Å; I192-W225 HydrophobicContact CG2-CD2 4.43Å; I192-W225 HydrophobicContact CG2-CE3 3.66Å; I192-W225 HydrophobicContact CG2-CZ3 4.18Å; P194-W225 HydrophobicContact CB-CD2 4.35Å; P194-W225 HydrophobicContact CB-CH2 4.42Å; P194-W225 HydrophobicContact CB-CZ2 3.72Å; P194-W225 HydrophobicContact CG-CH2 3.87Å; P194-W225 HydrophobicContact CG-CZ2 3.65Å; P194-W225 HydrophobicContact CG-CZ3 4.44Å; S198-W225 PolarHBondContact N-O 2.95Å; S198-W225 VanDerWaalsContact N-O 3.07Å; L221-W225 HydrophobicContact CB-CD2 4.48Å; L221-W225 HydrophobicContact CB-CE3 4.23Å; L221-W225 HydrophobicContact CB-CH2 3.92Å; L221-W225 HydrophobicContact CB-CZ2 4.14Å; L221-W225 HydrophobicContact CB-CZ3 3.96Å; L221-W225 HydrophobicContact CD1-CH2 4.12Å; L221-W225 HydrophobicContact CD2-CH2 4.42Å; L221-W225 HydrophobicContact CD2-CZ2 4.02Å; L221-W225 HydrophobicContact CG-CH2 4.38Å; L221-W225 HydrophobicContact CG-CZ2 4.45Å; L221-W225 WeakPolarHBondContact O-CB 3.5Å; L221-W225 PolarHBondContact O-N 3.43Å; A222-W225 PolarHBondContact O-N 3.09Å; K223-W225 PolarHBondContact O-N 3.29Å; W225-Y388 HydrophobicContact CZ2-CE1 4.32Å; W225-Y388 PolarHBondContact NE1-OH 3.28Å
226G93.5Very high95.6Very high16 Ų1621.8 Ų21.817%0.16512%0.118CC..THydrogen-bonded Turntrans85.518.9171.500000115.3A222 K223A222-G226 PolarHBondContact O-N 3.15Å; K223-G226 PolarHBondContact O-N 3.31Å
227W95.1Very high95.5Very high11 Ų1129.1 Ų29.14%0.04215%0.15CC..  trans-84.8149.5176-72.258000111.3I192 Y203 I205 A222 D265 L266I192-W227 HydrophobicContact CB-CZ2 4.44Å; I192-W227 HydrophobicContact CD1-CD2 3.98Å; I192-W227 HydrophobicContact CD1-CE3 4.32Å; I192-W227 HydrophobicContact CD1-CH2 4.15Å; I192-W227 HydrophobicContact CD1-CZ2 3.81Å; I192-W227 HydrophobicContact CD1-CZ3 4.38Å; I192-W227 HydrophobicContact CG1-CH2 4Å; I192-W227 HydrophobicContact CG1-CZ2 3.55Å; I192-W227 HydrophobicContact CG2-CZ2 4.38Å; Y203-W227 VanDerWaalsContact CB-CZ3 3.45Å; Y203-W227 HydrophobicContact CD2-CH2 4.42Å; Y203-W227 AromaticContact CD2-CZ2 3.96Å; Y203-W227 HydrophobicContact CD2-CZ2 3.96Å; Y203-W227 AromaticContact CG-CH2 3.98Å; Y203-W227 HydrophobicContact CG-CH2 3.98Å; Y203-W227 AromaticContact CG-CZ2 4Å; Y203-W227 HydrophobicContact CG-CZ2 4Å; Y203-W227 HydrophobicContact CG-CZ3 4.31Å; I205-W227 HydrophobicContact CB-CE3 4.12Å; I205-W227 HydrophobicContact CG2-CB 4.36Å; I205-W227 HydrophobicContact CG2-CE3 4.38Å; A222-W227 HydrophobicContact CB-CB 4.21Å; A222-W227 WeakPolarHBondContact O-CB 3.45Å; A222-W227 PolarHBondContact O-N 3.41Å; W227-D265 HydrophobicContact CH2-CB 4.38Å; W227-D265 HydrophobicContact CZ3-CB 4.04Å; W227-L266 HydrophobicContact CH2-CD1 3.87Å; W227-L266 HydrophobicContact CZ3-CB 4.23Å; W227-L266 HydrophobicContact CZ3-CD1 3.99Å
228R95.5Very high95.2Very high81 Ų8133.8 Ų33.831%0.30617%0.17SC..EExtended strand (participates in β ladder)trans-77.9121.2166.4-165-175.1-64144.3-0.9108.5S201 Y203 S204 I205 H230 D249S201-R228 VanDerWaalsContact CA-NH2 3.35Å; S201-R228 PolarHBondContact OG-NH2 3.29Å; S201-R228 VanDerWaalsContact OG-NH2 3.08Å; Y203-R228 PolarHBondContact O-N 2.86Å; S204-R228 CarbonylContact C-O 3.53Å; S204-R228 WeakPolarHBondContact CA-O 3.38Å; I205-R228 PolarHBondContact N-O 3.24Å; R228-H230 VanDerWaalsContact CD-NE2 3.25Å; R228-H230 WeakPolarHBondContact CD-NE2 3.43Å; R228-D249 WeakPolarHBondContact CA-OD2 3.31Å; R228-D249 HydrophobicContact CG-CB 3.62Å; R228-D249 VanDerWaalsContact CG-CG 3.45Å
229V96.9Very high95Very high0 Ų033.8 Ų33.80%017%0.17CC..EExtended strand (participates in β ladder)trans-112.7112.9-170.81790000109.7I205 I207 A219 A222 K223 V231 V248 D249I205-V229 HydrophobicContact CG2-CB 4.28Å; I205-V229 HydrophobicContact CG2-CG1 4.42Å; I205-V229 HydrophobicContact CG2-CG2 3.77Å; I207-V229 HydrophobicContact CD1-CG1 4.02Å; A219-V229 HydrophobicContact CB-CG1 4.03Å; A222-V229 HydrophobicContact CB-CG2 3.52Å; K223-V229 HydrophobicContact CD-CB 3.74Å; K223-V229 HydrophobicContact CD-CG2 3.56Å; K223-V229 HydrophobicContact CG-CB 4.17Å; K223-V229 HydrophobicContact CG-CG2 3.77Å; V229-V231 HydrophobicContact CG1-CG1 3.98Å; V229-V248 HydrophobicContact CG1-CB 4.49Å; V229-V248 HydrophobicContact CG1-CG1 4.15Å; V229-D249 PolarHBondContact N-OD2 3.39Å; V229-D249 PolarHBondContact O-N 3.45Å
230H97.3Very high94.9Very high8 Ų836.5 Ų36.54%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-106.5147.4171.4-61.6-156.7000107.9I205 L206 I207 R228 E250 F252 Y264I205-H230 PolarHBondContact O-N 3.49Å; L206-H230 CarbonylContact C-O 3.48Å; L206-H230 WeakPolarHBondContact CA-O 3.49Å; L206-H230 HydrophobicContact CD1-CB 4.19Å; I207-H230 PolarHBondContact N-O 3.06Å; R228-H230 VanDerWaalsContact CD-NE2 3.25Å; R228-H230 WeakPolarHBondContact CD-NE2 3.43Å; H230-E250 CarbonylContact C-O 3.59Å; H230-E250 WeakPolarHBondContact CA-O 3.35Å; H230-E250 HydrophobicContact CB-CB 4.16Å; H230-E250 IonicContact CE1-OE2 3.4Å; H230-E250 PolarHBondContact CE1-OE2 3.01Å; H230-E250 IonicContact CG-OE2 3.24Å; H230-E250 IonicContact ND1-OE2 3.84Å; H230-E250 PolarHBondContact ND1-OE2 3.31Å; H230-F252 HydrophobicContact CB-CE2 4.06Å; H230-Y264 HydrophobicContact CB-CE1 3.76Å; H230-Y264 AromaticContact CG-CE1 3.63Å; H230-Y264 AromaticContact ND1-CE1 3.52Å; H230-Y264 AromaticContact ND1-CZ 3.67Å; H230-Y264 PolarHBondContact ND1-OH 3.3Å
231V97.5Very high94.7Very high0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-135154.2-173.4-62.60000112.5I207 A210 V229 M243 V248 E250 I251 F252I207-V231 HydrophobicContact CB-CG1 4.38Å; I207-V231 CarbonylContact O-C 3.59Å; I207-V231 VanDerWaalsContact O-CA 3.26Å; I207-V231 WeakPolarHBondContact O-CA 3.4Å; A210-V231 HydrophobicContact CB-CB 3.58Å; A210-V231 HydrophobicContact CB-CG1 3.7Å; A210-V231 HydrophobicContact CB-CG2 4.39Å; V229-V231 HydrophobicContact CG1-CG1 3.98Å; V231-M243 HydrophobicContact CB-SD 4.28Å; V231-M243 HydrophobicContact CG1-SD 4.31Å; V231-M243 HydrophobicContact CG2-CG 3.96Å; V231-M243 HydrophobicContact CG2-SD 3.76Å; V231-V248 HydrophobicContact CG1-CB 4.3Å; V231-V248 HydrophobicContact CG1-CG1 3.9Å; V231-V248 HydrophobicContact CG2-CB 4.36Å; V231-V248 HydrophobicContact CG2-CG1 4.47Å; V231-V248 HydrophobicContact CG2-CG2 3.84Å; V231-E250 PolarHBondContact N-O 2.93Å; V231-I251 HydrophobicContact CG2-CB 4.3Å; V231-I251 HydrophobicContact CG2-CG1 3.97Å; V231-I251 HydrophobicContact CG2-CG2 4.24Å; V231-F252 WeakPolarHBondContact O-CD2 2.98Å; V231-F252 PolarHBondContact O-N 3.43Å
232T96.2Very high94.5Very high3 Ų341.3 Ų41.32%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-105.6131.4157.676.80000110.2L206 I207 T208 G209 A210 F252 P255 I258L206-T232 HydrophobicContact CD1-CG2 4.31Å; I207-T232 PolarHBondContact O-N 3.25Å; T208-T232 WeakPolarHBondContact CA-OG1 3.37Å; T208-T232 WeakPolarHBondContact CB-OG1 3.49Å; T208-T232 HydrophobicContact CG2-CG2 4.08Å; G209-T232 PolarHBondContact N-O 2.9Å; G209-T232 PolarHBondContact N-OG1 3.31Å; A210-T232 PolarHBondContact N-O 3.39Å; T232-F252 CarbonylContact C-O 3.53Å; T232-F252 VanDerWaalsContact CA-O 3.24Å; T232-F252 WeakPolarHBondContact CA-O 3.4Å; T232-F252 HydrophobicContact CG2-CB 4.17Å; T232-P255 HydrophobicContact CG2-CB 4.44Å; T232-I258 HydrophobicContact CG2-CD1 4.01Å; T232-I258 HydrophobicContact CG2-CG1 4.26Å
233C93.8Very high94.5Very high4 Ų441.3 Ų41.33%0.02721%0.211CC..  trans-149.3159.7171.971.50000111.3T211 A239 M243 I251 F252 P253T211-C233 HydrophobicContact CG2-CB 3.72Å; C233-A239 HydrophobicContact CB-CB 4.36Å; C233-M243 HydrophobicContact CB-CG 4.28Å; C233-I251 WeakPolarHBondContact SG-CG2 3.32Å; C233-F252 PolarHBondContact N-O 3.45Å; C233-P253 CarbonylContact O-C 3.37Å; C233-P253 VanDerWaalsContact O-CA 3.29Å; C233-P253 WeakPolarHBondContact O-CA 3.19Å
234P91.9Very high94.4Very high53 Ų5342.9 Ų42.934%0.34422%0.222SC..  trans-52151.1169.6-28.338000112.8D236 A239P234-D236 VanDerWaalsContact C-N 3.32Å; P234-D236 WeakPolarHBondContact CB-OD2 3.34Å; P234-D236 PolarHBondContact O-N 2.91Å; P234-A239 HydrophobicContact CB-CB 4.33Å; P234-A239 WeakPolarHBondContact O-CB 3.31Å
235S91.8Very high94.3Very high81 Ų8147.2 Ų47.257%0.56625%0.245SC*.SBendtrans-84.32.7-177.4-50.50000114.9L240 P253S235-L240 WeakPolarHBondContact O-CD1 3.28Å; S235-P253 WeakPolarHBondContact OG-CB 3.26Å
236D93.5Very high94.2Very high64 Ų6448.4 Ų48.434%0.34225%0.251SS..SBendtrans-68.2151.8175.557.296000111.8P234 K238 A239 L240 R424P234-D236 VanDerWaalsContact C-N 3.32Å; P234-D236 WeakPolarHBondContact CB-OD2 3.34Å; P234-D236 PolarHBondContact O-N 2.91Å; D236-K238 VanDerWaalsContact C-N 3.27Å; D236-K238 PolarHBondContact O-N 2.98Å; D236-K238 VanDerWaalsContact O-N 3.16Å; D236-A239 WeakPolarHBondContact O-CB 3.43Å; D236-A239 PolarHBondContact O-N 3.19Å; D236-A239 PolarHBondContact OD1-N 3.03Å; D236-A239 VanDerWaalsContact OD1-N 3.16Å; D236-L240 PolarHBondContact O-N 3.36Å; D236-L240 VanDerWaalsContact O-N 3.13Å; D236-R424 IonicContact OD1-CZ 3.78Å; D236-R424 IonicContact OD1-NE 3.04Å; D236-R424 IonicContact OD1-NH2 3.2Å; D236-R424 PolarHBondContact OD1-NH2 3.17Å; D236-R424 IonicContact OD2-CZ 2.88Å; D236-R424 IonicContact OD2-NH2 3.97Å; D236-R424 PolarHBondContact OD2-NH2 3.37Å
237K93.7Very high94.3Very high159 Ų15954.7 Ų54.769%0.69128%0.276SS*.Hα-helixtrans-49.6-44.4-177.7-177.6173.9180177.90113.2A239 L240 D241K237-A239 VanDerWaalsContact C-N 3.32Å; K237-A239 PolarHBondContact O-N 2.75Å; K237-L240 PolarHBondContact O-N 2.95Å; K237-D241 WeakPolarHBondContact CE-OD2 3.25Å; K237-D241 WeakPolarHBondContact CG-OD2 3.35Å; K237-D241 WeakPolarHBondContact O-CB 3.22Å; K237-D241 PolarHBondContact O-N 2.96Å
238K92Very high94.3Very high97 Ų9755 Ų5542%0.42228%0.28SS..Hα-helixtrans-61.3-40.1-178.5-167.8-175.3178-173.90111.8D236 L242 D403 R424D236-K238 VanDerWaalsContact C-N 3.27Å; D236-K238 PolarHBondContact O-N 2.98Å; D236-K238 VanDerWaalsContact O-N 3.16Å; K238-L242 WeakPolarHBondContact O-CD1 3.24Å; K238-L242 VanDerWaalsContact O-CG 3.28Å; K238-L242 WeakPolarHBondContact O-CG 3.5Å; K238-L242 PolarHBondContact O-N 2.86Å; K238-D403 IonicContact NZ-OD1 3.19Å; K238-D403 PolarHBondContact NZ-OD1 3.02Å; K238-R424 HydrophobicContact CD-CB 4.47Å; K238-R424 HydrophobicContact CD-CG 3.67Å; K238-R424 HydrophobicContact CG-CG 3.98Å
239A93.9Very high94.3Very high0 Ų055 Ų550%029%0.286CS..Hα-helixtrans-67.4-46.5175.800000111.9T211 C233 P234 D236 K237 L242 M243T211-A239 HydrophobicContact CG2-CB 3.77Å; C233-A239 HydrophobicContact CB-CB 4.36Å; P234-A239 HydrophobicContact CB-CB 4.33Å; P234-A239 WeakPolarHBondContact O-CB 3.31Å; D236-A239 WeakPolarHBondContact O-CB 3.43Å; D236-A239 PolarHBondContact O-N 3.19Å; D236-A239 PolarHBondContact OD1-N 3.03Å; D236-A239 VanDerWaalsContact OD1-N 3.16Å; K237-A239 VanDerWaalsContact C-N 3.32Å; K237-A239 PolarHBondContact O-N 2.75Å; A239-L242 PolarHBondContact O-N 3.24Å; A239-M243 WeakPolarHBondContact O-CG 3.32Å; A239-M243 PolarHBondContact O-N 2.98Å
240L94.9Very high94.2Very high58 Ų5858 Ų5830%0.30430%0.3SS..Hα-helixtrans-63.5-44.8-179.6-62.6179.6000112S235 D236 K237 L242 M243 N244 I251S235-L240 WeakPolarHBondContact O-CD1 3.28Å; D236-L240 PolarHBondContact O-N 3.36Å; D236-L240 VanDerWaalsContact O-N 3.13Å; K237-L240 PolarHBondContact O-N 2.95Å; L240-L242 VanDerWaalsContact C-N 3.28Å; L240-L242 PolarHBondContact O-N 3.49Å; L240-M243 PolarHBondContact O-N 3.13Å; L240-M243 VanDerWaalsContact O-N 3.17Å; L240-N244 WeakPolarHBondContact O-CB 3.42Å; L240-N244 VanDerWaalsContact O-CG 3.23Å; L240-N244 PolarHBondContact O-N 3.46Å; L240-N244 PolarHBondContact O-ND2 2.96Å; L240-I251 HydrophobicContact CD2-CD1 4.44Å; L240-I251 HydrophobicContact CD2-CG2 3.91Å
241D93.6Very high94.2Very high83 Ų8360 Ų6044%0.44431%0.31SS..Hα-helixtrans-58.7-41.3177.5-69.5-13.3000111.2K237 L245K237-D241 WeakPolarHBondContact CE-OD2 3.25Å; K237-D241 WeakPolarHBondContact CG-OD2 3.35Å; K237-D241 WeakPolarHBondContact O-CB 3.22Å; K237-D241 PolarHBondContact O-N 2.96Å; D241-L245 WeakPolarHBondContact O-CB 3.39Å; D241-L245 PolarHBondContact O-N 2.96Å
242L93Very high94.1Very high39 Ų3960.4 Ų60.420%0.20431%0.312CS..Hα-helixtrans-64.1-46.6175.2-75170.7000112M216 K238 A239 L240 N244 L245 L246 R424M216-L242 HydrophobicContact CE-CB 4.41Å; M216-L242 HydrophobicContact CE-CD1 4.11Å; M216-L242 HydrophobicContact CE-CD2 3.94Å; M216-L242 HydrophobicContact CE-CG 4.39Å; M216-L242 HydrophobicContact SD-CD1 4.49Å; K238-L242 WeakPolarHBondContact O-CD1 3.24Å; K238-L242 VanDerWaalsContact O-CG 3.28Å; K238-L242 WeakPolarHBondContact O-CG 3.5Å; K238-L242 PolarHBondContact O-N 2.86Å; A239-L242 PolarHBondContact O-N 3.24Å; L240-L242 VanDerWaalsContact C-N 3.28Å; L240-L242 PolarHBondContact O-N 3.49Å; L242-N244 VanDerWaalsContact C-N 3.32Å; L242-N244 PolarHBondContact O-N 3.43Å; L242-L245 PolarHBondContact O-N 2.85Å; L242-L246 WeakPolarHBondContact O-CG 3.38Å; L242-L246 PolarHBondContact O-N 2.94Å; L242-R424 HydrophobicContact CD1-CB 3.56Å; L242-R424 HydrophobicContact CD1-CG 3.8Å
243M95.3Very high93.9Very high0 Ų063 Ų630%033%0.329CS..Hα-helixtrans-65.3-37.9-179.7-66.6-51.599.500111.8A210 T211 V231 C233 A239 L240 L246 Q247 V248 I251A210-M243 HydrophobicContact CB-CE 4.43Å; A210-M243 HydrophobicContact CB-SD 3.78Å; T211-M243 HydrophobicContact CG2-CE 4.04Å; V231-M243 HydrophobicContact CB-SD 4.28Å; V231-M243 HydrophobicContact CG1-SD 4.31Å; V231-M243 HydrophobicContact CG2-CG 3.96Å; V231-M243 HydrophobicContact CG2-SD 3.76Å; C233-M243 HydrophobicContact CB-CG 4.28Å; A239-M243 WeakPolarHBondContact O-CG 3.32Å; A239-M243 PolarHBondContact O-N 2.98Å; L240-M243 PolarHBondContact O-N 3.13Å; L240-M243 VanDerWaalsContact O-N 3.17Å; M243-L246 HydrophobicContact CE-CD1 4.15Å; M243-L246 CarbonylContact O-C 3.6Å; M243-L246 PolarHBondContact O-N 2.85Å; M243-Q247 PolarHBondContact O-N 3.43Å; M243-V248 HydrophobicContact CB-CG2 3.83Å; M243-V248 PolarHBondContact O-N 3.47Å; M243-V248 HydrophobicContact SD-CG1 4.5Å; M243-I251 HydrophobicContact CB-CD1 3.49Å; M243-I251 VanDerWaalsContact CB-CD1 3.49Å; M243-I251 HydrophobicContact CB-CG1 3.92Å; M243-I251 HydrophobicContact CG-CD1 4.38Å; M243-I251 HydrophobicContact CG-CG1 4.47Å
244N94Very high93.6Very high98 Ų9867.5 Ų67.552%0.52435%0.349SS..Hα-helixtrans-64.1-43174-70.6-27000111.9L240 L242 L246 Q247L240-N244 WeakPolarHBondContact O-CB 3.42Å; L240-N244 VanDerWaalsContact O-CG 3.23Å; L240-N244 PolarHBondContact O-N 3.46Å; L240-N244 PolarHBondContact O-ND2 2.96Å; L242-N244 VanDerWaalsContact C-N 3.32Å; L242-N244 PolarHBondContact O-N 3.43Å; N244-L246 VanDerWaalsContact C-N 3.25Å; N244-L246 PolarHBondContact O-N 2.66Å; N244-Q247 WeakPolarHBondContact O-CA 3.33Å; N244-Q247 PolarHBondContact O-N 2.95Å
245L92.5Very high93.2Very high133 Ų13365.7 Ų65.770%0.69634%0.338SS*.Hα-helixtrans-59.8-37.8174.8-178.966.1000111.9D241 L242 Q247D241-L245 WeakPolarHBondContact O-CB 3.39Å; D241-L245 PolarHBondContact O-N 2.96Å; L242-L245 PolarHBondContact O-N 2.85Å; L245-Q247 PolarHBondContact O-N 2.88Å
246L93.3Very high92.8Very high28 Ų2866.8 Ų66.815%0.14734%0.341CS..THydrogen-bonded Turntrans-75.1-6.2175.3-64.5-173.1000113.7A219 Q220 L242 M243 N244 V248A219-L246 HydrophobicContact CB-CD1 4.34Å; Q220-L246 HydrophobicContact CG-CD1 4.3Å; Q220-L246 HydrophobicContact CG-CD2 3.42Å; Q220-L246 VanDerWaalsContact CG-CD2 3.42Å; Q220-L246 HydrophobicContact CG-CG 4.39Å; L242-L246 WeakPolarHBondContact O-CG 3.38Å; L242-L246 PolarHBondContact O-N 2.94Å; M243-L246 HydrophobicContact CE-CD1 4.15Å; M243-L246 CarbonylContact O-C 3.6Å; M243-L246 PolarHBondContact O-N 2.85Å; N244-L246 VanDerWaalsContact C-N 3.25Å; N244-L246 PolarHBondContact O-N 2.66Å; L246-V248 HydrophobicContact CB-CG1 4.1Å; L246-V248 PolarHBondContact O-N 3.13Å
247Q94.1Very high92.3Very high148 Ų14867.5 Ų67.569%0.69235%0.345SS*.THydrogen-bonded Turntrans5342.1-179.1-55.9175.230.600112.3K223 M243 N244 L245K223-Q247 WeakPolarHBondContact CE-O 3.08Å; K223-Q247 PolarHBondContact NZ-O 2.75Å; M243-Q247 PolarHBondContact O-N 3.43Å; N244-Q247 WeakPolarHBondContact O-CA 3.33Å; N244-Q247 PolarHBondContact O-N 2.95Å; L245-Q247 PolarHBondContact O-N 2.88Å
248V95.7Very high92Very high19 Ų1960.3 Ų60.312%0.11531%0.314CS..  trans-64.1150.1170.3-54.50000109.5V229 V231 M243 L246 I251V229-V248 HydrophobicContact CG1-CB 4.49Å; V229-V248 HydrophobicContact CG1-CG1 4.15Å; V231-V248 HydrophobicContact CG1-CB 4.3Å; V231-V248 HydrophobicContact CG1-CG1 3.9Å; V231-V248 HydrophobicContact CG2-CB 4.36Å; V231-V248 HydrophobicContact CG2-CG1 4.47Å; V231-V248 HydrophobicContact CG2-CG2 3.84Å; M243-V248 HydrophobicContact CB-CG2 3.83Å; M243-V248 PolarHBondContact O-N 3.47Å; M243-V248 HydrophobicContact SD-CG1 4.5Å; L246-V248 HydrophobicContact CB-CG1 4.1Å; L246-V248 PolarHBondContact O-N 3.13Å; V248-I251 HydrophobicContact CG2-CD1 4.03Å; V248-I251 HydrophobicContact CG2-CG1 3.5Å
249D95.4Very high91.9Very high80 Ų8063.3 Ų63.343%0.42833%0.329SS..SBendtrans-82.4-31-171.1-58.2-91.1000112.4K223 R228 V229K223-D249 VanDerWaalsContact NZ-CG 3.3Å; K223-D249 IonicContact NZ-OD1 2.6Å; K223-D249 PolarHBondContact NZ-OD1 3.32Å; K223-D249 IonicContact NZ-OD2 2.97Å; K223-D249 PolarHBondContact NZ-OD2 3.32Å; R228-D249 WeakPolarHBondContact CA-OD2 3.31Å; R228-D249 HydrophobicContact CG-CB 3.62Å; R228-D249 VanDerWaalsContact CG-CG 3.45Å; V229-D249 PolarHBondContact N-OD2 3.39Å; V229-D249 PolarHBondContact O-N 3.45Å
250E95.7Very high91.7Very high63 Ų6364.7 Ų64.729%0.29434%0.338SS..EExtended strand (participates in β ladder)trans-149.9142176.7-159.2173.1-176.500111.2H230 V231 F252H230-E250 CarbonylContact C-O 3.59Å; H230-E250 WeakPolarHBondContact CA-O 3.35Å; H230-E250 HydrophobicContact CB-CB 4.16Å; H230-E250 IonicContact CE1-OE2 3.4Å; H230-E250 PolarHBondContact CE1-OE2 3.01Å; H230-E250 IonicContact CG-OE2 3.24Å; H230-E250 IonicContact ND1-OE2 3.84Å; H230-E250 PolarHBondContact ND1-OE2 3.31Å; V231-E250 PolarHBondContact N-O 2.93Å; E250-F252 HydrophobicContact CB-CE2 4.42Å; E250-F252 HydrophobicContact CB-CZ 4.34Å; E250-F252 HydrophobicContact CG-CE1 3.97Å; E250-F252 HydrophobicContact CG-CE2 4.15Å; E250-F252 HydrophobicContact CG-CZ 3.66Å; E250-F252 VanDerWaalsContact OE1-CE1 3.27Å; E250-F252 WeakPolarHBondContact OE1-CE1 3.32Å; E250-F252 VanDerWaalsContact OE1-CZ 3.3Å; E250-F252 WeakPolarHBondContact OE1-CZ 3.24Å; E250-F252 VanDerWaalsContact OE2-CZ 3.27Å; E250-F252 WeakPolarHBondContact OE2-CZ 3.46Å
251I96.2Very high91.5Very high50 Ų5068.6 Ų68.626%0.25636%0.364SS..EExtended strand (participates in β ladder)trans-122.2124.4-178.4-56.1166.9000109.4V231 C233 L240 M243 V248V231-I251 HydrophobicContact CG2-CB 4.3Å; V231-I251 HydrophobicContact CG2-CG1 3.97Å; V231-I251 HydrophobicContact CG2-CG2 4.24Å; C233-I251 WeakPolarHBondContact SG-CG2 3.32Å; L240-I251 HydrophobicContact CD2-CD1 4.44Å; L240-I251 HydrophobicContact CD2-CG2 3.91Å; M243-I251 HydrophobicContact CB-CD1 3.49Å; M243-I251 VanDerWaalsContact CB-CD1 3.49Å; M243-I251 HydrophobicContact CB-CG1 3.92Å; M243-I251 HydrophobicContact CG-CD1 4.38Å; M243-I251 HydrophobicContact CG-CG1 4.47Å; V248-I251 HydrophobicContact CG2-CD1 4.03Å; V248-I251 HydrophobicContact CG2-CG1 3.5Å
252F95.5Very high91.4Very high9 Ų966.3 Ų66.34%0.03935%0.353CS..EExtended strand (participates in β ladder)trans-111.4142.9173.8-55.2-70.9000111.3L206 H230 V231 T232 C233 E250 H254 I258 T260 Y264L206-F252 HydrophobicContact CD1-CD2 4.13Å; L206-F252 HydrophobicContact CD1-CE2 4.25Å; H230-F252 HydrophobicContact CB-CE2 4.06Å; V231-F252 WeakPolarHBondContact O-CD2 2.98Å; V231-F252 PolarHBondContact O-N 3.43Å; T232-F252 CarbonylContact C-O 3.53Å; T232-F252 VanDerWaalsContact CA-O 3.24Å; T232-F252 WeakPolarHBondContact CA-O 3.4Å; T232-F252 HydrophobicContact CG2-CB 4.17Å; C233-F252 PolarHBondContact N-O 3.45Å; E250-F252 HydrophobicContact CB-CE2 4.42Å; E250-F252 HydrophobicContact CB-CZ 4.34Å; E250-F252 HydrophobicContact CG-CE1 3.97Å; E250-F252 HydrophobicContact CG-CE2 4.15Å; E250-F252 HydrophobicContact CG-CZ 3.66Å; E250-F252 VanDerWaalsContact OE1-CE1 3.27Å; E250-F252 WeakPolarHBondContact OE1-CE1 3.32Å; E250-F252 VanDerWaalsContact OE1-CZ 3.3Å; E250-F252 WeakPolarHBondContact OE1-CZ 3.24Å; E250-F252 VanDerWaalsContact OE2-CZ 3.27Å; E250-F252 WeakPolarHBondContact OE2-CZ 3.46Å; F252-H254 PolarHBondContact O-N 2.89Å; F252-I258 HydrophobicContact CB-CG1 4.32Å; F252-I258 HydrophobicContact CD1-CG2 4.02Å; F252-I258 HydrophobicContact CD2-CG1 4.45Å; F252-I258 HydrophobicContact CD2-CG2 3.87Å; F252-I258 HydrophobicContact CE1-CG2 3.93Å; F252-I258 HydrophobicContact CE2-CG2 3.76Å; F252-I258 HydrophobicContact CG-CB 4.44Å; F252-I258 HydrophobicContact CG-CG1 4.31Å; F252-I258 HydrophobicContact CG-CG2 3.98Å; F252-I258 HydrophobicContact CZ-CG2 3.78Å; F252-T260 HydrophobicContact CZ-CG2 4.1Å; F252-Y264 WeakPolarHBondContact CE2-OH 3.34Å
253P91.6Very high91.4Very high56 Ų5669.6 Ų69.636%0.36437%0.366SS..SBendtrans-72.4-29.5-175.729.3-36.3000113.5C233 S235C233-P253 CarbonylContact O-C 3.37Å; C233-P253 VanDerWaalsContact O-CA 3.29Å; C233-P253 WeakPolarHBondContact O-CA 3.19Å; S235-P253 WeakPolarHBondContact OG-CB 3.26Å
254H87.5Confident91.3Very high99 Ų9969.6 Ų69.646%0.45837%0.366SS..BIsolated β-bridgetrans-155.3144.2-174.7-160.1-94.1000111.8F252 T256 N257F252-H254 PolarHBondContact O-N 2.89Å; H254-T256 PolarHBondContact CE1-OG1 3.29Å; H254-T256 PolarHBondContact ND1-N 3.41Å; H254-T256 PolarHBondContact ND1-OG1 3.39Å; H254-T256 PolarHBondContact O-N 3.03Å; H254-T256 VanDerWaalsContact O-N 3.15Å; H254-N257 HydrophobicContact CB-CB 4.45Å; H254-N257 CarbonylContact O-C 3.4Å; H254-N257 PolarHBondContact O-N 3.33Å
255P83.4Confident91.3Very high16 Ų1665.5 Ų65.510%0.10434%0.344CS..THydrogen-bonded Turntrans-60.2-21.4177.428.4-42.6000115.3T208 T232 I271 M308T208-P255 HydrophobicContact CG2-CB 4.24Å; T232-P255 HydrophobicContact CG2-CB 4.44Å; P255-I271 HydrophobicContact CB-CD1 4.04Å; P255-I271 HydrophobicContact CG-CD1 3.5Å; P255-M308 HydrophobicContact CB-CE 4.46Å; P255-M308 HydrophobicContact CB-CG 4.39Å; P255-M308 HydrophobicContact CB-SD 3.6Å
256T84.1Confident91.5Very high103 Ų10359.1 Ų59.163%0.63231%0.311SS*.THydrogen-bonded Turntrans-91.4-5.7176.463.80000113.2H254H254-T256 PolarHBondContact CE1-OG1 3.29Å; H254-T256 PolarHBondContact ND1-N 3.41Å; H254-T256 PolarHBondContact ND1-OG1 3.39Å; H254-T256 PolarHBondContact O-N 3.03Å; H254-T256 VanDerWaalsContact O-N 3.15Å
257N83.4Confident91.7Very high80 Ų8057.8 Ų57.843%0.42830%0.304SS..BIsolated β-bridgetrans-129.961.7179.7-169.211.5000109.9H254H254-N257 HydrophobicContact CB-CB 4.45Å; H254-N257 CarbonylContact O-C 3.4Å; H254-N257 PolarHBondContact O-N 3.33Å
258I87.8Confident91.9Very high8 Ų850.8 Ų50.84%0.04127%0.271CS..  trans-97.9100.3175-57.1178.5000107.5L206 T232 F252 T260 M308 Y311L206-I258 HydrophobicContact CD1-CD1 4.33Å; L206-I258 HydrophobicContact CD2-CD1 3.58Å; T232-I258 HydrophobicContact CG2-CD1 4.01Å; T232-I258 HydrophobicContact CG2-CG1 4.26Å; F252-I258 HydrophobicContact CB-CG1 4.32Å; F252-I258 HydrophobicContact CD1-CG2 4.02Å; F252-I258 HydrophobicContact CD2-CG1 4.45Å; F252-I258 HydrophobicContact CD2-CG2 3.87Å; F252-I258 HydrophobicContact CE1-CG2 3.93Å; F252-I258 HydrophobicContact CE2-CG2 3.76Å; F252-I258 HydrophobicContact CG-CB 4.44Å; F252-I258 HydrophobicContact CG-CG1 4.31Å; F252-I258 HydrophobicContact CG-CG2 3.98Å; F252-I258 HydrophobicContact CZ-CG2 3.78Å; I258-T260 HydrophobicContact CG2-CG2 3.45Å; I258-T260 VanDerWaalsContact CG2-CG2 3.45Å; I258-T260 PolarHBondContact O-N 3.29Å; I258-M308 HydrophobicContact CD1-CG 4.43Å; I258-M308 HydrophobicContact CD1-SD 4.39Å; I258-Y311 HydrophobicContact CB-CE1 4.26Å; I258-Y311 HydrophobicContact CB-CE2 3.93Å; I258-Y311 HydrophobicContact CD1-CD2 4.16Å; I258-Y311 HydrophobicContact CD1-CE2 3.91Å; I258-Y311 HydrophobicContact CG1-CE2 4.36Å; I258-Y311 HydrophobicContact CG2-CE1 4.19Å; I258-Y311 HydrophobicContact CG2-CE2 4.39Å; I258-Y311 PolarHBondContact O-OH 3.17Å
259Q88.8Confident91.9Very high159 Ų15950.8 Ų50.874%0.74327%0.271SS*.  trans-87.776.6176.4-65.4-173.7-22.600109.6
260T90.2Very high91.8Very high29 Ų2948.1 Ų48.118%0.17826%0.258CS..  trans-141.9149.5178.9-162.70000111.3F252 I258 T262 Y264 Y311F252-T260 HydrophobicContact CZ-CG2 4.1Å; I258-T260 HydrophobicContact CG2-CG2 3.45Å; I258-T260 VanDerWaalsContact CG2-CG2 3.45Å; I258-T260 PolarHBondContact O-N 3.29Å; T260-T262 WeakPolarHBondContact OG1-CB 3.46Å; T260-T262 PolarHBondContact OG1-N 3.49Å; T260-T262 PolarHBondContact OG1-OG1 3.15Å; T260-T262 VanDerWaalsContact OG1-OG1 3.13Å; T260-Y264 HydrophobicContact CG2-CE2 4.18Å; T260-Y311 HydrophobicContact CG2-CD1 4.12Å; T260-Y311 HydrophobicContact CG2-CE1 4.28Å
261T89.8Confident91.5Very high141 Ų14148.5 Ų48.587%0.86526%0.261SS*.  trans-93.2-7.8167.256.30000111.9K263T261-K263 PolarHBondContact O-N 3.34Å
262T91.7Very high91Very high35 Ų3549.9 Ų49.922%0.21526%0.263CS..  trans-61.3131.4-179-58.10000111T260 Y264T260-T262 WeakPolarHBondContact OG1-CB 3.46Å; T260-T262 PolarHBondContact OG1-N 3.49Å; T260-T262 PolarHBondContact OG1-OG1 3.15Å; T260-T262 VanDerWaalsContact OG1-OG1 3.13Å; T262-Y264 HydrophobicContact CG2-CD1 4.03Å; T262-Y264 HydrophobicContact CG2-CE1 3.67Å; T262-Y264 HydrophobicContact CG2-CE2 4.36Å
263K92.6Very high90.3Very high107 Ų10752.5 Ų52.547%0.46528%0.281SS..  trans-98.2137.1163.9-62.1-58.5-173.5-170.70109.5S204 T261 S310 Y311 N313S204-K263 PolarHBondContact OG-O 3.1Å; T261-K263 PolarHBondContact O-N 3.34Å; K263-S310 PolarHBondContact NZ-O 2.89Å; K263-Y311 CarbonylContact C-O 3.52Å; K263-Y311 VanDerWaalsContact CA-O 3.28Å; K263-Y311 WeakPolarHBondContact CA-O 3.3Å; K263-N313 HydrophobicContact CB-CB 3.78Å
264Y94.7Very high89.6Confident0 Ų052.5 Ų52.50%028%0.278CS..BIsolated β-bridgetrans-104.9138.9-173.2-59-81.5000112.6S204 L206 H230 F252 T260 T262 L266 I267 Y311 N313S204-Y264 WeakPolarHBondContact OG-CA 3.48Å; L206-Y264 HydrophobicContact CB-CD1 3.8Å; L206-Y264 HydrophobicContact CB-CD2 3.78Å; L206-Y264 HydrophobicContact CB-CE1 3.88Å; L206-Y264 HydrophobicContact CB-CE2 3.87Å; L206-Y264 HydrophobicContact CB-CG 3.74Å; L206-Y264 HydrophobicContact CD2-CD2 4.16Å; L206-Y264 HydrophobicContact CD2-CE2 3.92Å; L206-Y264 HydrophobicContact CG-CE2 4.33Å; H230-Y264 HydrophobicContact CB-CE1 3.76Å; H230-Y264 AromaticContact CG-CE1 3.63Å; H230-Y264 AromaticContact ND1-CE1 3.52Å; H230-Y264 AromaticContact ND1-CZ 3.67Å; H230-Y264 PolarHBondContact ND1-OH 3.3Å; F252-Y264 WeakPolarHBondContact CE2-OH 3.34Å; T260-Y264 HydrophobicContact CG2-CE2 4.18Å; T262-Y264 HydrophobicContact CG2-CD1 4.03Å; T262-Y264 HydrophobicContact CG2-CE1 3.67Å; T262-Y264 HydrophobicContact CG2-CE2 4.36Å; Y264-L266 VanDerWaalsContact C-N 3.34Å; Y264-L266 WeakPolarHBondContact CB-O 3.35Å; Y264-I267 HydrophobicContact CD2-CG1 4.49Å; Y264-Y311 WeakPolarHBondContact CD2-O 3.26Å; Y264-Y311 PolarHBondContact N-O 3.22Å; Y264-N313 VanDerWaalsContact O-CB 3.31Å; Y264-N313 WeakPolarHBondContact O-CB 3.31Å; Y264-N313 PolarHBondContact O-N 3.07Å
265D94.1Very high88.7Confident12 Ų1248.8 Ų48.86%0.06426%0.26CS..SBendtrans-76.3-26.8170.5-61.9-70.8000111.6Y203 S204 W227 N313 S316 A319 R320Y203-D265 WeakPolarHBondContact CA-OD2 3.29Å; Y203-D265 HydrophobicContact CD1-CB 4.44Å; S204-D265 PolarHBondContact N-OD2 2.89Å; S204-D265 PolarHBondContact O-N 2.7Å; W227-D265 HydrophobicContact CH2-CB 4.38Å; W227-D265 HydrophobicContact CZ3-CB 4.04Å; D265-N313 PolarHBondContact OD1-ND2 3Å; D265-S316 PolarHBondContact OD1-OG 2.95Å; D265-A319 CarbonylContact O-C 3.55Å; D265-A319 WeakPolarHBondContact O-CA 3.43Å; D265-R320 PolarHBondContact O-N 2.84Å
266L96.5Very high87.6Confident0 Ų050 Ų500%026%0.264CS..EExtended strand (participates in β ladder)trans-131.7137.3169.8-114.2113.9000111L186 I192 S204 I205 L206 W227 Y264 R320 I322L186-L266 HydrophobicContact CD2-CD2 4.39Å; I192-L266 HydrophobicContact CD1-CD1 4.31Å; I192-L266 HydrophobicContact CG1-CD1 4.13Å; S204-L266 PolarHBondContact O-N 3.11Å; S204-L266 VanDerWaalsContact O-N 3.16Å; I205-L266 CarbonylContact C-O 3.56Å; I205-L266 VanDerWaalsContact CA-O 3.24Å; I205-L266 WeakPolarHBondContact CA-O 3.3Å; I205-L266 HydrophobicContact CB-CB 4.04Å; I205-L266 HydrophobicContact CD1-CB 3.88Å; I205-L266 HydrophobicContact CD1-CD2 3.99Å; I205-L266 HydrophobicContact CG1-CB 3.76Å; L206-L266 PolarHBondContact N-O 2.82Å; W227-L266 HydrophobicContact CH2-CD1 3.87Å; W227-L266 HydrophobicContact CZ3-CB 4.23Å; W227-L266 HydrophobicContact CZ3-CD1 3.99Å; Y264-L266 VanDerWaalsContact C-N 3.34Å; Y264-L266 WeakPolarHBondContact CB-O 3.35Å; L266-R320 WeakPolarHBondContact CA-O 3.43Å; L266-I322 HydrophobicContact CD2-CD1 4.48Å; L266-I322 HydrophobicContact CD2-CG1 3.61Å; L266-I322 HydrophobicContact CG-CG1 4.44Å
267I96.9Very high86.1Confident0 Ų049.5 Ų49.50%026%0.258CS..EExtended strand (participates in β ladder)trans-119118.4163.2-58.7-179.7000106.4L206 Y264 M308 L312 R320 Y321 I322L206-I267 HydrophobicContact CB-CG1 4.29Å; L206-I267 HydrophobicContact CD2-CG2 4.31Å; L206-I267 CarbonylContact O-C 3.56Å; L206-I267 WeakPolarHBondContact O-CA 3.42Å; Y264-I267 HydrophobicContact CD2-CG1 4.49Å; I267-M308 WeakPolarHBondContact CD1-O 3.47Å; I267-L312 HydrophobicContact CD1-CB 4.04Å; I267-L312 HydrophobicContact CD1-CD1 4.11Å; I267-L312 HydrophobicContact CG1-CD1 3.98Å; I267-R320 PolarHBondContact N-O 3.22Å; I267-Y321 HydrophobicContact CB-CD2 3.86Å; I267-Y321 HydrophobicContact CB-CE2 4.31Å; I267-Y321 HydrophobicContact CD1-CD2 4.28Å; I267-Y321 HydrophobicContact CG2-CD2 3.81Å; I267-Y321 HydrophobicContact CG2-CE2 3.73Å; I267-Y321 CarbonylContact O-C 3.59Å; I267-I322 PolarHBondContact O-N 2.98Å
268L98Very high84.2Confident0 Ų047.7 Ų47.70%025%0.249CC..EExtended strand (participates in β ladder)trans-103.5108.3175.4174.354.4000109.4A185 L186 I205 L206 I207 T208 A218 C270 I322 L324A185-L268 HydrophobicContact CB-CD1 3.7Å; A185-L268 HydrophobicContact CB-CD2 4.32Å; L186-L268 HydrophobicContact CD2-CD2 4.34Å; I205-L268 HydrophobicContact CD1-CB 4.3Å; L206-L268 PolarHBondContact O-N 3.11Å; I207-L268 HydrophobicContact CG1-CB 4.34Å; I207-L268 HydrophobicContact CG2-CB 4.48Å; I207-L268 HydrophobicContact CG2-CD2 4.22Å; I207-L268 HydrophobicContact CG2-CG 4.39Å; T208-L268 PolarHBondContact N-O 3.17Å; T208-L268 PolarHBondContact OG1-O 3.4Å; A218-L268 HydrophobicContact CB-CD2 3.54Å; L268-C270 PolarHBondContact O-N 2.76Å; L268-I322 HydrophobicContact CD1-CB 4.01Å; L268-I322 HydrophobicContact CD1-CG2 3.87Å; L268-L324 HydrophobicContact CD1-CD1 4.1Å; L268-L324 HydrophobicContact CD1-CD2 3.91Å; L268-L324 HydrophobicContact CD1-CG 3.84Å
269D95.8Very high82Confident20 Ų2051.5 Ų51.511%0.10727%0.273CS..EExtended strand (participates in β ladder)trans-91.599.4179.6-168.78.1000111.7T208 I271 M308 Y321 I322 L324T208-D269 VanDerWaalsContact OG1-CA 3.3Å; T208-D269 WeakPolarHBondContact OG1-CA 3.24Å; T208-D269 PolarHBondContact OG1-OD1 3.28Å; D269-I271 PolarHBondContact OD1-N 3.4Å; D269-I271 VanDerWaalsContact OD1-N 3.15Å; D269-M308 HydrophobicContact CB-CE 4.29Å; D269-Y321 HydrophobicContact CB-CE1 3.86Å; D269-Y321 WeakPolarHBondContact CB-OH 3.26Å; D269-Y321 VanDerWaalsContact CG-OH 3.3Å; D269-Y321 PolarHBondContact OD2-OH 3.3Å; D269-I322 PolarHBondContact N-O 2.79Å; D269-L324 WeakPolarHBondContact O-CG 3.42Å; D269-L324 PolarHBondContact O-N 2.81Å
270C94.5Very high79.3Confident24 Ų2449.9 Ų49.916%0.16227%0.274CS..  trans-93.3-3.8176.3-500000113.2T208 L268 R272 L324T208-C270 WeakPolarHBondContact O-CB 3.37Å; T208-C270 PolarHBondContact O-SG 3.04Å; T208-C270 PolarHBondContact OG1-N 2.91Å; L268-C270 PolarHBondContact O-N 2.76Å; C270-R272 PolarHBondContact O-N 2.85Å; C270-L324 HydrophobicContact CB-CD1 4.05Å
271I88.7Confident76.7Confident70 Ų7053.4 Ų53.436%0.35930%0.3SS..PPolyproline II helixtrans-75.9125.7-176-64.7174000108.6T208 P255 D269 N325T208-I271 HydrophobicContact CG2-CD1 4.46Å; P255-I271 HydrophobicContact CB-CD1 4.04Å; P255-I271 HydrophobicContact CG-CD1 3.5Å; D269-I271 PolarHBondContact OD1-N 3.4Å; D269-I271 VanDerWaalsContact OD1-N 3.15Å; I271-N325 PolarHBondContact O-ND2 2.92Å
272R85.1Confident73.8Confident79 Ų7951.8 Ų51.830%0.29829%0.294SS..PPolyproline II helixtrans-91.2132.4-178.6-177.1173.1-72-88.3-6.9109.7C270 Y275 N325C270-R272 PolarHBondContact O-N 2.85Å; R272-Y275 HydrophobicContact CG-CE2 4.25Å; R272-N325 WeakPolarHBondContact CA-ND2 3.43Å; R272-N325 PolarHBondContact NE-OD1 3.27Å; R272-N325 PolarHBondContact NH2-OD1 3.02Å
273P81.3Confident70.7Confident65 Ų6554.9 Ų54.942%0.42232%0.318SS..PPolyproline II helixtrans-61.2146.2168.7-21.333.2000111.1Y275P273-Y275 HydrophobicContact CB-CE1 4.09Å; P273-Y275 HydrophobicContact CB-CE2 4.34Å; P273-Y275 HydrophobicContact CG-CE1 4.41Å; P273-Y275 HydrophobicContact CG-CE2 4.47Å; P273-Y275 WeakPolarHBondContact O-CD2 2.93Å; P273-Y275 PolarHBondContact O-N 3Å
274D75.9Confident67.7Low56 Ų5656.6 Ų56.630%0.29934%0.337SS..  trans-75.4111.3168.8-165.4-12.2000108.9F276 N277D274-F276 PolarHBondContact OD1-N 2.77Å; D274-N277 PolarHBondContact OD1-N 3.01Å
275Y69.1Low64.4Low20 Ų2062.3 Ų62.38%0.07838%0.377CS..SBendtrans-94.6-18.1-178.6-67.6-64.6000113.3L61 Y66 R272 P273 Y330L61-Y275 HydrophobicContact CD1-CD2 4.17Å; Y66-Y275 HydrophobicContact CE2-CD2 4.26Å; Y66-Y275 HydrophobicContact CE2-CE2 4.33Å; R272-Y275 HydrophobicContact CG-CE2 4.25Å; P273-Y275 HydrophobicContact CB-CE1 4.09Å; P273-Y275 HydrophobicContact CB-CE2 4.34Å; P273-Y275 HydrophobicContact CG-CE1 4.41Å; P273-Y275 HydrophobicContact CG-CE2 4.47Å; P273-Y275 WeakPolarHBondContact O-CD2 2.93Å; P273-Y275 PolarHBondContact O-N 3Å; Y275-Y330 AromaticContact CD1-CD2 3.4Å; Y275-Y330 HydrophobicContact CD1-CD2 3.4Å; Y275-Y330 VanDerWaalsContact CD1-CD2 3.4Å; Y275-Y330 AromaticContact CD1-CE2 3.98Å; Y275-Y330 HydrophobicContact CD1-CE2 3.98Å; Y275-Y330 AromaticContact CD1-CG 3.82Å; Y275-Y330 HydrophobicContact CD1-CG 3.82Å; Y275-Y330 AromaticContact CE1-CD2 3.94Å; Y275-Y330 HydrophobicContact CE1-CD2 3.94Å; Y275-Y330 AromaticContact CE1-CG 3.84Å; Y275-Y330 HydrophobicContact CE1-CG 3.84Å; Y275-Y330 HydrophobicContact CG-CD2 4.25Å
276F60.9Low61.2Low41 Ų4166.9 Ų66.918%0.1841%0.41CS..SBendtrans-1334.5-169.4-64.7-66.2000114.1L61 Y66 D274 T278L61-F276 HydrophobicContact CB-CE2 4.34Å; L61-F276 HydrophobicContact CD2-CD2 3.5Å; L61-F276 HydrophobicContact CD2-CE2 3.59Å; Y66-F276 HydrophobicContact CD2-CE2 4.36Å; Y66-F276 HydrophobicContact CD2-CZ 4.37Å; D274-F276 PolarHBondContact OD1-N 2.77Å; F276-T278 VanDerWaalsContact C-N 3.31Å; F276-T278 HydrophobicContact CB-CG2 3.94Å; F276-T278 PolarHBondContact O-N 2.89Å
277N52.6Low57.9Low94 Ų9472 Ų7250%0.50345%0.446SS..  trans50.748.4-178-81.6-17.7000112.2D274 T279D274-N277 PolarHBondContact OD1-N 3.01Å; N277-T279 VanDerWaalsContact C-N 3.28Å; N277-T279 PolarHBondContact O-N 3.21Å
278T44.1Very low54.5Low42 Ų4277 Ų7726%0.25848%0.481SS..  trans-81.9-3.5-176.552.40000113.6F276 T280F276-T278 VanDerWaalsContact C-N 3.31Å; F276-T278 HydrophobicContact CB-CG2 3.94Å; F276-T278 PolarHBondContact O-N 2.89Å; T278-T280 PolarHBondContact O-N 2.64Å
279T40.2Very low51.2Low87 Ų8784.6 Ų84.653%0.53452%0.521SS..  trans-87.9109.9175.533.40000112.2N277 S281N277-T279 VanDerWaalsContact C-N 3.28Å; N277-T279 PolarHBondContact O-N 3.21Å; T279-S281 VanDerWaalsContact C-N 3.29Å; T279-S281 PolarHBondContact O-N 3.14Å
280T33.7Very low47.8Very low125 Ų12589.6 Ų89.677%0.76755%0.553SS**  trans-55.889.7153.5470000109.6T278T278-T280 PolarHBondContact O-N 2.64Å
281S35.1Very low45Very low104 Ų10492.2 Ų92.273%0.72757%0.569SS**  trans-99.589.3165.958.60000109.4T279 S283T279-S281 VanDerWaalsContact C-N 3.29Å; T279-S281 PolarHBondContact O-N 3.14Å; S281-S283 PolarHBondContact O-N 3.41Å
282S27.7Very low42.6Very low106 Ų10692.5 Ų92.574%0.74157%0.572SS**  trans-61.4125.3149.440.30000109
283S27.4Very low40.5Very low101 Ų10197 Ų9771%0.70659%0.593SS**  trans51.397.515457.80000118.9S281S281-S283 PolarHBondContact O-N 3.41Å
284T30.1Very low38.7Very low142 Ų142102.6 Ų102.687%0.87161%0.614SS**  -168.8125.4107.818.60000110.1S286T284-S286 PolarHBondContact O-N 3.16Å
285S25.4Very low37.3Very low120 Ų120102.5 Ų102.584%0.83962%0.617SS**  trans-65.2115.6176.546.40000111.8
286S25.8Very low36.9Very low109 Ų109107 Ų10776%0.76264%0.642SS**  trans-168.8128.2138.8410000110.9T284T284-S286 PolarHBondContact O-N 3.16Å
287S27.2Very low37.2Very low106 Ų106109.3 Ų109.374%0.74166%0.656SS**  trans55.188.9169.963.90000118.5N289S287-N289 PolarHBondContact O-N 3.38Å
288S25.3Very low37.8Very low106 Ų106108.7 Ų108.774%0.74166%0.659SS**  30.291.9123.361.60000117.2
289N29.2Very low39Very low159 Ų159108.3 Ų108.385%0.8566%0.663SS**  trans-16191.5139.4-92.9-26.5000107.9S287 P291S287-N289 PolarHBondContact O-N 3.38Å; N289-P291 WeakPolarHBondContact O-CD 3.23Å
290T25.8Very low40.6Very low125 Ų125104.5 Ų104.577%0.76764%0.64SS**  trans-73.9115.7164.334.70000108.7L292T290-L292 PolarHBondContact O-N 3.48Å
291P33.9Very low42.4Very low79 Ų79101.6 Ų101.651%0.51362%0.62SS.*SBendtrans-101.781.7168.332.6-16.6000108N289N289-P291 WeakPolarHBondContact O-CD 3.23Å
292L39.7Very low44.5Very low77 Ų77101.8 Ų101.840%0.40361%0.612SS.*  trans-178.852.2150-94.7160.9000107.7T290 Q294 Y330T290-L292 PolarHBondContact O-N 3.48Å; L292-Q294 PolarHBondContact O-N 3.47Å; L292-Y330 WeakPolarHBondContact CD2-OH 2.97Å
293K39.3Very low47Very low174 Ų17497.5 Ų97.576%0.75758%0.581SS**SBendtrans-60.7134.2146.7-100.8-176.6175.4179.80105.3C295K293-C295 VanDerWaalsContact C-N 3.3Å; K293-C295 PolarHBondContact O-N 3.49Å
294Q44.2Very low49.6Very low182 Ų182101.7 Ų101.785%0.8559%0.59SS**  trans-33.8103.9152.9-78.8170.9-23.800107L292 N296L292-Q294 PolarHBondContact O-N 3.47Å; Q294-N296 PolarHBondContact O-N 3.36Å; Q294-N296 PolarHBondContact O-OD1 3.41Å
295C47.6Very low52.1Low54 Ų5497.6 Ų97.637%0.36556%0.563SS.*  trans-76.1106-177-153.10000104.1K293 L297 C300 Y335K293-C295 VanDerWaalsContact C-N 3.3Å; K293-C295 PolarHBondContact O-N 3.49Å; C295-L297 PolarHBondContact O-N 3.48Å; C295-C300 WeakPolarHBondContact CB-SG 3.31Å; C295-Y335 PolarHBondContact O-OH 2.9Å
296N60.4Low54.9Low114 Ų11493.6 Ų93.661%0.6153%0.534SS*.  trans-53.4139.3173.9-44.731.6000106.3Q294 S298 G299 C300Q294-N296 PolarHBondContact O-N 3.36Å; Q294-N296 PolarHBondContact O-OD1 3.41Å; N296-S298 PolarHBondContact O-N 3.24Å; N296-G299 WeakPolarHBondContact O-CA 3.43Å; N296-G299 PolarHBondContact O-N 2.73Å; N296-C300 PolarHBondContact O-N 3.1Å
297L66.7Low57.7Low90 Ų9092.2 Ų92.247%0.47152%0.524SS..Hα-helixtrans-47.3-35.7-174.6-170.770.7000112.8C295 G299 C300 L301 Y335 I343C295-L297 PolarHBondContact O-N 3.48Å; L297-G299 PolarHBondContact O-N 2.9Å; L297-C300 PolarHBondContact O-N 3.42Å; L297-L301 HydrophobicContact CG-CD1 4.47Å; L297-L301 WeakPolarHBondContact O-CG 3.37Å; L297-L301 PolarHBondContact O-N 2.84Å; L297-L301 VanDerWaalsContact O-N 3.1Å; L297-Y335 HydrophobicContact CD1-CD1 4.43Å; L297-Y335 HydrophobicContact CD1-CE1 4.17Å; L297-I343 HydrophobicContact CD1-CD1 3.38Å; L297-I343 HydrophobicContact CD1-CG1 3.93Å
298S65.4Low60.6Low80 Ų8087.5 Ų87.556%0.55949%0.49SS*.Hα-helixtrans-58.9-42.1174.453.80000114.1N296 C300 L301 L302N296-S298 PolarHBondContact O-N 3.24Å; S298-C300 VanDerWaalsContact C-N 3.32Å; S298-C300 PolarHBondContact O-N 2.98Å; S298-L301 PolarHBondContact O-N 2.77Å; S298-L302 PolarHBondContact O-N 3.08Å; S298-L302 VanDerWaalsContact O-N 3.15Å
299G69.5Low63.7Low34 Ų3482.9 Ų82.935%0.35146%0.457SS..Hα-helixtrans-68.8-28.4176.800000113.2N296 L297 L302N296-G299 WeakPolarHBondContact O-CA 3.43Å; N296-G299 PolarHBondContact O-N 2.73Å; L297-G299 PolarHBondContact O-N 2.9Å; G299-L302 CarbonylContact O-C 3.3Å
300C72.4Confident66.4Low8 Ų878.7 Ų78.75%0.05444%0.44CS..Hα-helixtrans-75.7-33.5173.2-58.10000112.8C295 N296 L297 S298 L331 Y335 I343C295-C300 WeakPolarHBondContact CB-SG 3.31Å; N296-C300 PolarHBondContact O-N 3.1Å; L297-C300 PolarHBondContact O-N 3.42Å; S298-C300 VanDerWaalsContact C-N 3.32Å; S298-C300 PolarHBondContact O-N 2.98Å; C300-L331 HydrophobicContact CB-CD2 4.23Å; C300-Y335 PolarHBondContact SG-OH 3.46Å; C300-I343 HydrophobicContact CB-CG2 3.43Å; C300-I343 VanDerWaalsContact CB-CG2 3.43Å
301L72.7Confident69.5Low63 Ų6374.8 Ų74.833%0.3341%0.412SS..Hα-helixtrans-71.3-33.3177.7-69.7171.5000112.2L297 S298 P303 I343L297-L301 HydrophobicContact CG-CD1 4.47Å; L297-L301 WeakPolarHBondContact O-CG 3.37Å; L297-L301 PolarHBondContact O-N 2.84Å; L297-L301 VanDerWaalsContact O-N 3.1Å; S298-L301 PolarHBondContact O-N 2.77Å; L301-P303 WeakPolarHBondContact O-CD 3.41Å; L301-I343 HydrophobicContact CD2-CG1 4.42Å; L301-I343 HydrophobicContact CD2-CG2 4.45Å
302L78.8Confident72.3Confident108 Ų10871.1 Ų71.157%0.56539%0.388SS*.SBendtrans-121.973.5-178.7-59.7177.3000110.9S298 G299 Y350S298-L302 PolarHBondContact O-N 3.08Å; S298-L302 VanDerWaalsContact O-N 3.15Å; G299-L302 CarbonylContact O-C 3.3Å; L302-Y350 HydrophobicContact CD2-CD1 4.47Å; L302-Y350 HydrophobicContact CD2-CD2 3.43Å; L302-Y350 VanDerWaalsContact CD2-CD2 3.43Å; L302-Y350 HydrophobicContact CD2-CE2 3.55Å; L302-Y350 HydrophobicContact CD2-CG 3.92Å
303P81Confident74.6Confident16 Ų1669.4 Ų69.410%0.10438%0.379CS..PPolyproline II helixtrans-66.6154.4-177.832.8-43.4000113L301 L305 H347 Y350L301-P303 WeakPolarHBondContact O-CD 3.41Å; P303-L305 PolarHBondContact O-N 2.78Å; P303-H347 WeakPolarHBondContact CB-CD2 3.3Å; P303-H347 WeakPolarHBondContact CB-NE2 3.46Å; P303-H347 HydrophobicContact CG-CB 4.37Å; P303-H347 WeakPolarHBondContact CG-CD2 3.39Å; P303-H347 VanDerWaalsContact CG-NE2 3.33Å; P303-H347 WeakPolarHBondContact CG-NE2 3.47Å; P303-Y350 HydrophobicContact CG-CD1 3.93Å; P303-Y350 HydrophobicContact CG-CE1 4.41Å; P303-Y350 WeakPolarHBondContact O-CE1 3.43Å
304Q81.1Confident76.6Confident189 Ų18963 Ų6388%0.88336%0.355SS*.PPolyproline II helixtrans-64.5132.8164.2-70.6-176.6-0.300109.9
305L82.9Confident78.2Confident57 Ų5759.1 Ų59.130%0.29835%0.348SS..PPolyproline II helixtrans-72145174.6-69.2176.5000110.4P303 S307 L309 A354 I374P303-L305 PolarHBondContact O-N 2.78Å; L305-S307 PolarHBondContact O-N 3.16Å; L305-L309 HydrophobicContact CB-CD2 4.32Å; L305-L309 HydrophobicContact CD1-CD2 3.93Å; L305-L309 HydrophobicContact CD2-CD2 4.33Å; L305-L309 HydrophobicContact CG-CD2 4.43Å; L305-A354 HydrophobicContact CD1-CB 3.53Å; L305-A354 HydrophobicContact CD2-CB 4.24Å; L305-A354 HydrophobicContact CG-CB 4.27Å; L305-I374 HydrophobicContact CD2-CD1 4.47Å
306P83.7Confident79.8Confident36 Ų3657.8 Ų57.823%0.23434%0.339CS..PPolyproline II helixtrans-57.6128.1171.6-21.532000110.6M308 L309 Y321P306-M308 PolarHBondContact O-N 3.11Å; P306-M308 VanDerWaalsContact O-N 3.12Å; P306-L309 WeakPolarHBondContact O-CB 3.49Å; P306-L309 PolarHBondContact O-N 2.93Å; P306-Y321 HydrophobicContact CB-CE1 4.38Å; P306-Y321 HydrophobicContact CB-CE2 3.97Å; P306-Y321 WeakPolarHBondContact CB-OH 3.39Å; P306-Y321 HydrophobicContact CG-CE1 4.03Å; P306-Y321 HydrophobicContact CG-CE2 4.42Å
307S85.1Confident80.9Confident79 Ų7956.4 Ų56.455%0.55234%0.338SS*.G310 helixtrans-55.8-32.4178.955.90000112.6L305 L309 S310L305-S307 PolarHBondContact O-N 3.16Å; S307-L309 PolarHBondContact O-N 3.18Å; S307-L309 VanDerWaalsContact O-N 3.17Å; S307-S310 WeakPolarHBondContact O-CB 3.4Å; S307-S310 PolarHBondContact O-N 2.9Å; S307-S310 PolarHBondContact O-OG 2.8Å
308M88.7Confident81.8Confident8 Ų857 Ų574%0.03933%0.334CS..G310 helixtrans-65.3-16.2178.9-66.1-172.8-61.400114.3T208 P255 I258 I267 D269 P306 S310 Y311 Y321T208-M308 HydrophobicContact CG2-CE 3.57Å; T208-M308 HydrophobicContact CG2-SD 3.21Å; T208-M308 WeakPolarHBondContact CG2-SD 3.48Å; P255-M308 HydrophobicContact CB-CE 4.46Å; P255-M308 HydrophobicContact CB-CG 4.39Å; P255-M308 HydrophobicContact CB-SD 3.6Å; I258-M308 HydrophobicContact CD1-CG 4.43Å; I258-M308 HydrophobicContact CD1-SD 4.39Å; I267-M308 WeakPolarHBondContact CD1-O 3.47Å; D269-M308 HydrophobicContact CB-CE 4.29Å; P306-M308 PolarHBondContact O-N 3.11Å; P306-M308 VanDerWaalsContact O-N 3.12Å; M308-S310 PolarHBondContact O-N 3.43Å; M308-S310 VanDerWaalsContact O-N 3.14Å; M308-Y311 HydrophobicContact CB-CD2 4.23Å; M308-Y311 HydrophobicContact CG-CD2 4.46Å; M308-Y311 PolarHBondContact O-N 3.26Å; M308-Y321 HydrophobicContact CB-CE2 4.02Å; M308-Y321 HydrophobicContact CE-CE2 4.27Å; M308-Y321 VanDerWaalsContact CE-OH 3.24Å; M308-Y321 WeakPolarHBondContact CE-OH 3.32Å
309L88.6Confident83Confident9 Ų953.2 Ų53.25%0.04731%0.307CS..G310 helixtrans-56.9-28.4174-170.765.4000111.9L305 P306 S307 Y311 L312 Y321 A355 I374L305-L309 HydrophobicContact CB-CD2 4.32Å; L305-L309 HydrophobicContact CD1-CD2 3.93Å; L305-L309 HydrophobicContact CD2-CD2 4.33Å; L305-L309 HydrophobicContact CG-CD2 4.43Å; P306-L309 WeakPolarHBondContact O-CB 3.49Å; P306-L309 PolarHBondContact O-N 2.93Å; S307-L309 PolarHBondContact O-N 3.18Å; S307-L309 VanDerWaalsContact O-N 3.17Å; L309-Y311 PolarHBondContact O-N 2.86Å; L309-L312 HydrophobicContact CD1-CD2 4.07Å; L309-L312 VanDerWaalsContact O-CB 3.26Å; L309-L312 WeakPolarHBondContact O-CB 3.46Å; L309-L312 PolarHBondContact O-N 3.44Å; L309-Y321 HydrophobicContact CD1-CD2 4.3Å; L309-Y321 HydrophobicContact CD1-CG 4.45Å; L309-A355 HydrophobicContact CD1-CB 4.09Å; L309-A355 HydrophobicContact CD2-CB 3.7Å; L309-A355 HydrophobicContact CG-CB 4.37Å; L309-I374 HydrophobicContact CD1-CD1 4.4Å; L309-I374 HydrophobicContact CD1-CG1 4.29Å; L309-I374 HydrophobicContact CD2-CD1 4.48Å
310S87.4Confident84.1Confident70 Ų7053.2 Ų53.249%0.4930%0.297SS..G310 helixtrans-60.6-26.1174.164.20000113.6K263 S307 M308 L312K263-S310 PolarHBondContact NZ-O 2.89Å; S307-S310 WeakPolarHBondContact O-CB 3.4Å; S307-S310 PolarHBondContact O-N 2.9Å; S307-S310 PolarHBondContact O-OG 2.8Å; M308-S310 PolarHBondContact O-N 3.43Å; M308-S310 VanDerWaalsContact O-N 3.14Å; S310-L312 VanDerWaalsContact C-N 3.34Å
311Y91.2Very high85.2Confident44 Ų4452.8 Ų52.817%0.17329%0.294CS..G310 helixtrans-86.2-3.3176.6-53.1-70.6000113.2I258 T260 K263 Y264 M308 L309I258-Y311 HydrophobicContact CB-CE1 4.26Å; I258-Y311 HydrophobicContact CB-CE2 3.93Å; I258-Y311 HydrophobicContact CD1-CD2 4.16Å; I258-Y311 HydrophobicContact CD1-CE2 3.91Å; I258-Y311 HydrophobicContact CG1-CE2 4.36Å; I258-Y311 HydrophobicContact CG2-CE1 4.19Å; I258-Y311 HydrophobicContact CG2-CE2 4.39Å; I258-Y311 PolarHBondContact O-OH 3.17Å; T260-Y311 HydrophobicContact CG2-CD1 4.12Å; T260-Y311 HydrophobicContact CG2-CE1 4.28Å; K263-Y311 CarbonylContact C-O 3.52Å; K263-Y311 VanDerWaalsContact CA-O 3.28Å; K263-Y311 WeakPolarHBondContact CA-O 3.3Å; Y264-Y311 WeakPolarHBondContact CD2-O 3.26Å; Y264-Y311 PolarHBondContact N-O 3.22Å; M308-Y311 HydrophobicContact CB-CD2 4.23Å; M308-Y311 HydrophobicContact CG-CD2 4.46Å; M308-Y311 PolarHBondContact O-N 3.26Å; L309-Y311 PolarHBondContact O-N 2.86Å
312L91.2Very high86.3Confident2 Ų249.8 Ų49.81%0.0128%0.278CS..BIsolated β-bridgetrans-72.1138.1179.4-166.469.8000110.3I267 L309 S310 T314 A319 R320 K373I267-L312 HydrophobicContact CD1-CB 4.04Å; I267-L312 HydrophobicContact CD1-CD1 4.11Å; I267-L312 HydrophobicContact CG1-CD1 3.98Å; L309-L312 HydrophobicContact CD1-CD2 4.07Å; L309-L312 VanDerWaalsContact O-CB 3.26Å; L309-L312 WeakPolarHBondContact O-CB 3.46Å; L309-L312 PolarHBondContact O-N 3.44Å; S310-L312 VanDerWaalsContact C-N 3.34Å; L312-T314 HydrophobicContact CB-CG2 4.27Å; L312-T314 PolarHBondContact O-N 2.92Å; L312-A319 HydrophobicContact CD1-CB 4.09Å; L312-A319 HydrophobicContact CD2-CB 4.44Å; L312-A319 HydrophobicContact CG-CB 4Å; L312-R320 WeakPolarHBondContact CD1-O 3.36Å; L312-K373 HydrophobicContact CD2-CB 4.21Å; L312-K373 HydrophobicContact CD2-CD 4.25Å
313N89.1Confident87.1Confident40 Ų4045.8 Ų45.821%0.21426%0.257CS..  trans-74.777.5174.1-173.610.8000110.7K263 Y264 D265 S315 S316 A319K263-N313 HydrophobicContact CB-CB 3.78Å; Y264-N313 VanDerWaalsContact O-CB 3.31Å; Y264-N313 WeakPolarHBondContact O-CB 3.31Å; Y264-N313 PolarHBondContact O-N 3.07Å; D265-N313 PolarHBondContact OD1-ND2 3Å; N313-S315 VanDerWaalsContact C-N 3.26Å; N313-S315 PolarHBondContact O-N 3.2Å; N313-S315 PolarHBondContact OD1-OG 3.12Å; N313-S316 WeakPolarHBondContact ND2-CB 3.35Å; N313-S316 WeakPolarHBondContact O-CB 3.48Å; N313-S316 PolarHBondContact O-N 3.33Å; N313-A319 HydrophobicContact CB-CB 4.35Å; N313-A319 WeakPolarHBondContact O-CB 3.42Å
314T80.3Confident87.7Confident41 Ų4146 Ų4625%0.25226%0.257SS..THydrogen-bonded Turntrans-69-21.7-168530000114.5L312 S316 S359 K373L312-T314 HydrophobicContact CB-CG2 4.27Å; L312-T314 PolarHBondContact O-N 2.92Å; T314-S316 VanDerWaalsContact C-N 3.28Å; T314-S316 PolarHBondContact O-N 2.88Å; T314-S359 WeakPolarHBondContact OG1-CB 3.41Å; T314-K373 PolarHBondContact O-NZ 3.42Å
315S77.9Confident88.2Confident100 Ų10037.6 Ų37.670%0.69922%0.218SC*.THydrogen-bonded Turntrans-68.2-26.2172.361.20000112.7N313N313-S315 VanDerWaalsContact C-N 3.26Å; N313-S315 PolarHBondContact O-N 3.2Å; N313-S315 PolarHBondContact OD1-OG 3.12Å
316S82.7Confident88.6Confident25 Ų2535.2 Ų35.218%0.17521%0.206CC..  trans-76.5127.6177.7171.50000111.4D265 N313 T314 R318 A319 K373D265-S316 PolarHBondContact OD1-OG 2.95Å; N313-S316 WeakPolarHBondContact ND2-CB 3.35Å; N313-S316 WeakPolarHBondContact O-CB 3.48Å; N313-S316 PolarHBondContact O-N 3.33Å; T314-S316 VanDerWaalsContact C-N 3.28Å; T314-S316 PolarHBondContact O-N 2.88Å; S316-R318 PolarHBondContact O-N 3.42Å; S316-R318 PolarHBondContact OG-N 3.23Å; S316-A319 PolarHBondContact O-N 2.99Å; S316-A319 VanDerWaalsContact O-N 3.16Å; S316-K373 PolarHBondContact O-NZ 2.86Å
317S81.9Confident88.9Confident85 Ų8534.4 Ų34.459%0.59420%0.201SC*.THydrogen-bonded Turntrans-66-24.1174.364.50000112.3R320 N370S317-R320 PolarHBondContact O-NH1 3.22Å; S317-R320 PolarHBondContact O-NH2 3.44Å; S317-R320 VanDerWaalsContact O-NH2 3.08Å; S317-N370 PolarHBondContact O-ND2 2.95Å
318R85.9Confident89.3Confident103 Ų10332.6 Ų32.639%0.38919%0.185SC..THydrogen-bonded Turntrans-76.5-22.5175.3-179.7171.3-79117.7-5.1112.3Y203 S316 R320Y203-R318 VanDerWaalsContact CE1-NH1 3.35Å; Y203-R318 PolarHBondContact OH-NH1 3.24Å; S316-R318 PolarHBondContact O-N 3.42Å; S316-R318 PolarHBondContact OG-N 3.23Å; R318-R320 WeakPolarHBondContact O-CG 3.5Å; R318-R320 PolarHBondContact O-N 3.33Å
319A91Very high89.5Confident0 Ų033.8 Ų33.80%019%0.191CC..  trans-62.3129.7-168.500000113.8D265 L312 N313 S316 K373D265-A319 CarbonylContact O-C 3.55Å; D265-A319 WeakPolarHBondContact O-CA 3.43Å; L312-A319 HydrophobicContact CD1-CB 4.09Å; L312-A319 HydrophobicContact CD2-CB 4.44Å; L312-A319 HydrophobicContact CG-CB 4Å; N313-A319 HydrophobicContact CB-CB 4.35Å; N313-A319 WeakPolarHBondContact O-CB 3.42Å; S316-A319 PolarHBondContact O-N 2.99Å; S316-A319 VanDerWaalsContact O-N 3.16Å; A319-K373 WeakPolarHBondContact O-CD 3.15Å
320R93.5Very high89.6Confident34 Ų3435 Ų3513%0.12820%0.196CC..EExtended strand (participates in β ladder)trans-135138.1178.5-56.3-62.7173.4-111.30.9112.7D265 L266 I267 L312 S317 R318 I322 K372 K373 R375D265-R320 PolarHBondContact O-N 2.84Å; L266-R320 WeakPolarHBondContact CA-O 3.43Å; I267-R320 PolarHBondContact N-O 3.22Å; L312-R320 WeakPolarHBondContact CD1-O 3.36Å; S317-R320 PolarHBondContact O-NH1 3.22Å; S317-R320 PolarHBondContact O-NH2 3.44Å; S317-R320 VanDerWaalsContact O-NH2 3.08Å; R318-R320 WeakPolarHBondContact O-CG 3.5Å; R318-R320 PolarHBondContact O-N 3.33Å; R320-I322 HydrophobicContact CB-CD1 3.59Å; R320-I322 HydrophobicContact CB-CG1 4.33Å; R320-I322 HydrophobicContact CG-CD1 4.4Å; R320-K372 WeakPolarHBondContact CD-O 3.12Å; R320-K372 VanDerWaalsContact CZ-O 3.28Å; R320-K372 PolarHBondContact NE-O 2.88Å; R320-K372 VanDerWaalsContact NE-O 3.11Å; R320-K372 PolarHBondContact NH1-O 3.44Å; R320-K373 CarbonylContact C-O 3.51Å; R320-K373 VanDerWaalsContact CA-O 3.29Å; R320-K373 WeakPolarHBondContact CA-O 3.39Å; R320-R375 VanDerWaalsContact NE-NH2 3.1Å
321Y94.9Very high89.8Confident0 Ų032 Ų320%017%0.174CC..EExtended strand (participates in β ladder)trans-96.2119.6161-172.6-76.4000108.7I267 D269 P306 M308 L309 M323 K373 I374 R375I267-Y321 HydrophobicContact CB-CD2 3.86Å; I267-Y321 HydrophobicContact CB-CE2 4.31Å; I267-Y321 HydrophobicContact CD1-CD2 4.28Å; I267-Y321 HydrophobicContact CG2-CD2 3.81Å; I267-Y321 HydrophobicContact CG2-CE2 3.73Å; I267-Y321 CarbonylContact O-C 3.59Å; D269-Y321 HydrophobicContact CB-CE1 3.86Å; D269-Y321 WeakPolarHBondContact CB-OH 3.26Å; D269-Y321 VanDerWaalsContact CG-OH 3.3Å; D269-Y321 PolarHBondContact OD2-OH 3.3Å; P306-Y321 HydrophobicContact CB-CE1 4.38Å; P306-Y321 HydrophobicContact CB-CE2 3.97Å; P306-Y321 WeakPolarHBondContact CB-OH 3.39Å; P306-Y321 HydrophobicContact CG-CE1 4.03Å; P306-Y321 HydrophobicContact CG-CE2 4.42Å; M308-Y321 HydrophobicContact CB-CE2 4.02Å; M308-Y321 HydrophobicContact CE-CE2 4.27Å; M308-Y321 VanDerWaalsContact CE-OH 3.24Å; M308-Y321 WeakPolarHBondContact CE-OH 3.32Å; L309-Y321 HydrophobicContact CD1-CD2 4.3Å; L309-Y321 HydrophobicContact CD1-CG 4.45Å; Y321-M323 HydrophobicContact CD1-CB 4.47Å; Y321-M323 HydrophobicContact CE1-CB 4.2Å; Y321-M323 HydrophobicContact CE1-CG 4.48Å; Y321-K373 PolarHBondContact N-O 3.35Å; Y321-I374 HydrophobicContact CD1-CG2 4.43Å; Y321-I374 CarbonylContact O-C 3.54Å; Y321-I374 VanDerWaalsContact O-CA 3.31Å; Y321-I374 WeakPolarHBondContact O-CA 3.26Å; Y321-R375 PolarHBondContact O-N 2.92Å
322I96.6Very high89.9Confident0 Ų030.2 Ų30.20%017%0.167CC..EExtended strand (participates in β ladder)trans-108.3119.3-175.4-51.3-56.1000108.9A185 A189 L266 I267 L268 D269 R320 R375 V377A185-I322 HydrophobicContact CB-CG2 3.87Å; A189-I322 HydrophobicContact CB-CD1 3.87Å; A189-I322 HydrophobicContact CB-CG2 4.36Å; L266-I322 HydrophobicContact CD2-CD1 4.48Å; L266-I322 HydrophobicContact CD2-CG1 3.61Å; L266-I322 HydrophobicContact CG-CG1 4.44Å; I267-I322 PolarHBondContact O-N 2.98Å; L268-I322 HydrophobicContact CD1-CB 4.01Å; L268-I322 HydrophobicContact CD1-CG2 3.87Å; D269-I322 PolarHBondContact N-O 2.79Å; R320-I322 HydrophobicContact CB-CD1 3.59Å; R320-I322 HydrophobicContact CB-CG1 4.33Å; R320-I322 HydrophobicContact CG-CD1 4.4Å; I322-R375 HydrophobicContact CD1-CB 3.67Å; I322-R375 HydrophobicContact CD1-CG 3.98Å; I322-V377 HydrophobicContact CG2-CB 4.37Å; I322-V377 HydrophobicContact CG2-CG2 3.34Å
323M94.6Very high89.9Confident24 Ų2432.1 Ų32.112%0.11818%0.177CC..EExtended strand (participates in β ladder)trans-109.7116.5-177.7-162168.593.300110.2Y321 P326 R375 W376 V377Y321-M323 HydrophobicContact CD1-CB 4.47Å; Y321-M323 HydrophobicContact CE1-CB 4.2Å; Y321-M323 HydrophobicContact CE1-CG 4.48Å; M323-P326 HydrophobicContact CE-CB 4.29Å; M323-R375 PolarHBondContact N-O 3.45Å; M323-W376 HydrophobicContact CE-CZ2 4.32Å; M323-W376 VanDerWaalsContact CE-NE1 3.28Å; M323-V377 PolarHBondContact O-N 2.86Å
324L94.3Very high89.9Confident21 Ų2135 Ų3511%0.1119%0.19CC..SBendtrans-82.9-13.8179.5-62.4-171.3000113.9T181 A185 V214 L268 D269 C270 P326 V377T181-L324 HydrophobicContact CG2-CD1 4.11Å; T181-L324 HydrophobicContact CG2-CD2 3.84Å; A185-L324 HydrophobicContact CB-CD2 3.87Å; V214-L324 HydrophobicContact CB-CD1 4.12Å; V214-L324 HydrophobicContact CG1-CD1 3.54Å; V214-L324 HydrophobicContact CG2-CD1 4.38Å; L268-L324 HydrophobicContact CD1-CD1 4.1Å; L268-L324 HydrophobicContact CD1-CD2 3.91Å; L268-L324 HydrophobicContact CD1-CG 3.84Å; D269-L324 WeakPolarHBondContact O-CG 3.42Å; D269-L324 PolarHBondContact O-N 2.81Å; C270-L324 HydrophobicContact CB-CD1 4.05Å; L324-P326 VanDerWaalsContact O-CD 3.25Å; L324-P326 WeakPolarHBondContact O-CD 3.17Å; L324-V377 HydrophobicContact CD2-CB 3.76Å; L324-V377 HydrophobicContact CD2-CG1 3.81Å; L324-V377 HydrophobicContact CD2-CG2 4.35Å
325N90.7Very high90.3Very high12 Ų1236.6 Ų36.66%0.06419%0.191CC..SBendtrans-120.962.2-174.4-55.4-69.1000110.8I271 R272I271-N325 PolarHBondContact O-ND2 2.92Å; R272-N325 WeakPolarHBondContact CA-ND2 3.43Å; R272-N325 PolarHBondContact NE-OD1 3.27Å; R272-N325 PolarHBondContact NH2-OD1 3.02Å
326P91.2Very high91Very high7 Ų733 Ų335%0.04517%0.17CC..  trans-61.1140.217527.8-34.1000111.5M323 L324 L328 W376 F378M323-P326 HydrophobicContact CE-CB 4.29Å; L324-P326 VanDerWaalsContact O-CD 3.25Å; L324-P326 WeakPolarHBondContact O-CD 3.17Å; P326-L328 PolarHBondContact O-N 3.23Å; P326-W376 HydrophobicContact CB-CB 3.96Å; P326-W376 HydrophobicContact CB-CD2 3.38Å; P326-W376 HydrophobicContact CB-CE3 3.44Å; P326-W376 VanDerWaalsContact CB-CE3 3.44Å; P326-W376 HydrophobicContact CB-CG 3.64Å; P326-W376 HydrophobicContact CB-CH2 4.47Å; P326-W376 HydrophobicContact CB-CZ2 4.44Å; P326-W376 HydrophobicContact CB-CZ3 4.01Å; P326-W376 HydrophobicContact CG-CB 4.3Å; P326-W376 HydrophobicContact CG-CE3 4.49Å; P326-W376 HydrophobicContact CG-CG 4.49Å; P326-F378 HydrophobicContact CB-CE1 4.32Å; P326-F378 HydrophobicContact CB-CZ 4.08Å; P326-F378 HydrophobicContact CG-CD1 4.1Å; P326-F378 HydrophobicContact CG-CE1 3.39Å; P326-F378 HydrophobicContact CG-CE2 4.34Å; P326-F378 HydrophobicContact CG-CZ 3.54Å
327P90.9Very high91.3Very high19 Ų1934 Ų3412%0.12318%0.176CC..THydrogen-bonded Turntrans-71.92.2-177.832.1-37.9000113.4L329 Y330 L331 W376P327-L329 PolarHBondContact O-N 3.27Å; P327-Y330 WeakPolarHBondContact O-CB 3.28Å; P327-Y330 PolarHBondContact O-N 2.83Å; P327-L331 HydrophobicContact CB-CD1 3.93Å; P327-L331 HydrophobicContact CB-CG 4.16Å; P327-L331 HydrophobicContact CG-CD1 4.03Å; P327-L331 WeakPolarHBondContact O-CB 3.14Å; P327-L331 VanDerWaalsContact O-CG 3.27Å; P327-L331 WeakPolarHBondContact O-CG 3.48Å; P327-L331 PolarHBondContact O-N 3.06Å; P327-W376 HydrophobicContact CG-CH2 3.98Å; P327-W376 HydrophobicContact CG-CZ2 4.02Å
328L93Very high91.8Very high41 Ų4137.3 Ų37.322%0.21519%0.186CC..Hα-helixtrans-51.3-55.2-173.417762.8000113.5P326 Y330 L331 N332 A344 W376 F378P326-L328 PolarHBondContact O-N 3.23Å; L328-Y330 VanDerWaalsContact C-N 3.35Å; L328-Y330 PolarHBondContact O-N 2.95Å; L328-L331 PolarHBondContact O-N 3.38Å; L328-N332 WeakPolarHBondContact O-CB 3.36Å; L328-N332 VanDerWaalsContact O-CG 3.26Å; L328-N332 PolarHBondContact O-N 3.41Å; L328-N332 PolarHBondContact O-OD1 3.39Å; L328-A344 HydrophobicContact CB-CB 4.3Å; L328-A344 HydrophobicContact CD1-CB 3.57Å; L328-W376 HydrophobicContact CB-CZ3 4.22Å; L328-F378 HydrophobicContact CB-CZ 4.46Å; L328-F378 HydrophobicContact CD2-CE1 3.96Å; L328-F378 HydrophobicContact CD2-CZ 3.77Å
329L92.8Very high92.1Very high32 Ų3236.1 Ų36.117%0.16819%0.19CC..Hα-helixtrans-66.6-40.5-177.4-67.5178.2000111.3Y66 F71 P327 L331 N332 D333Y66-L329 HydrophobicContact CD1-CD1 4.4Å; Y66-L329 HydrophobicContact CE1-CB 3.96Å; Y66-L329 HydrophobicContact CE1-CD1 3.7Å; Y66-L329 HydrophobicContact CE1-CG 4.49Å; Y66-L329 HydrophobicContact CE2-CB 4.18Å; F71-L329 HydrophobicContact CE1-CD1 4.3Å; F71-L329 HydrophobicContact CE1-CD2 4.1Å; F71-L329 HydrophobicContact CZ-CD1 3.7Å; F71-L329 HydrophobicContact CZ-CD2 4.18Å; P327-L329 PolarHBondContact O-N 3.27Å; L329-L331 PolarHBondContact O-N 2.81Å; L329-N332 PolarHBondContact O-N 3.45Å; L329-D333 VanDerWaalsContact O-CG 3.25Å; L329-D333 PolarHBondContact O-N 3.36Å
330Y90.8Very high92.2Very high36 Ų3636.1 Ų36.114%0.14119%0.19CC..Hα-helixtrans-58.4-47.7175.5171.6-96000111.9Y275 L292 P327 L328 N332 D333 H334Y275-Y330 AromaticContact CD1-CD2 3.4Å; Y275-Y330 HydrophobicContact CD1-CD2 3.4Å; Y275-Y330 VanDerWaalsContact CD1-CD2 3.4Å; Y275-Y330 AromaticContact CD1-CE2 3.98Å; Y275-Y330 HydrophobicContact CD1-CE2 3.98Å; Y275-Y330 AromaticContact CD1-CG 3.82Å; Y275-Y330 HydrophobicContact CD1-CG 3.82Å; Y275-Y330 AromaticContact CE1-CD2 3.94Å; Y275-Y330 HydrophobicContact CE1-CD2 3.94Å; Y275-Y330 AromaticContact CE1-CG 3.84Å; Y275-Y330 HydrophobicContact CE1-CG 3.84Å; Y275-Y330 HydrophobicContact CG-CD2 4.25Å; L292-Y330 WeakPolarHBondContact CD2-OH 2.97Å; P327-Y330 WeakPolarHBondContact O-CB 3.28Å; P327-Y330 PolarHBondContact O-N 2.83Å; L328-Y330 VanDerWaalsContact C-N 3.35Å; L328-Y330 PolarHBondContact O-N 2.95Å; Y330-N332 VanDerWaalsContact C-N 3.34Å; Y330-D333 PolarHBondContact O-N 3.11Å; Y330-H334 AromaticContact CD2-CE1 3.59Å; Y330-H334 AromaticContact CD2-ND1 3.78Å; Y330-H334 AromaticContact CE2-CE1 3.03Å; Y330-H334 WeakPolarHBondContact CE2-CE1 3.42Å; Y330-H334 AromaticContact CE2-ND1 3.54Å; Y330-H334 AromaticContact CE2-NE2 3.64Å; Y330-H334 AromaticContact CZ-CE1 3.4Å; Y330-H334 AromaticContact CZ-ND1 3.68Å; Y330-H334 AromaticContact CZ-NE2 3.64Å; Y330-H334 PolarHBondContact O-N 2.79Å; Y330-H334 VanDerWaalsContact O-N 3.13Å; Y330-H334 PolarHBondContact O-ND1 2.85Å; Y330-H334 PolarHBondContact OH-NE2 3.17Å
331L91.5Very high92.2Very high5 Ų536.9 Ų36.93%0.02620%0.201CC..Hα-helixtrans-66.1-37.5179-69.8170.2000111.6C300 P327 L328 L329 D333 H334 Y335 G340 I343 A344C300-L331 HydrophobicContact CB-CD2 4.23Å; P327-L331 HydrophobicContact CB-CD1 3.93Å; P327-L331 HydrophobicContact CB-CG 4.16Å; P327-L331 HydrophobicContact CG-CD1 4.03Å; P327-L331 WeakPolarHBondContact O-CB 3.14Å; P327-L331 VanDerWaalsContact O-CG 3.27Å; P327-L331 WeakPolarHBondContact O-CG 3.48Å; P327-L331 PolarHBondContact O-N 3.06Å; L328-L331 PolarHBondContact O-N 3.38Å; L329-L331 PolarHBondContact O-N 2.81Å; L331-D333 VanDerWaalsContact C-N 3.33Å; L331-H334 PolarHBondContact O-N 3.32Å; L331-Y335 HydrophobicContact CD2-CD2 4.14Å; L331-Y335 HydrophobicContact CD2-CE2 3.88Å; L331-Y335 WeakPolarHBondContact O-CD2 3.38Å; L331-Y335 PolarHBondContact O-N 3.19Å; L331-G340 WeakPolarHBondContact O-CA 3.4Å; L331-I343 HydrophobicContact CD1-CB 4.31Å; L331-I343 HydrophobicContact CD1-CG2 3.86Å; L331-I343 HydrophobicContact CD2-CG2 3.98Å; L331-I343 HydrophobicContact CG-CG2 4.5Å; L331-A344 HydrophobicContact CD1-CB 3.8Å
332N93.4Very high92.2Very high7 Ų738.6 Ų38.64%0.03722%0.218CC..Hα-helixtrans-66.7-34.5175.9-74.7-1000112.6S70 L328 L329 Y330 G336 P337 G340 S341S70-N332 WeakPolarHBondContact OG-CB 3.48Å; S70-N332 PolarHBondContact OG-ND2 2.9Å; L328-N332 WeakPolarHBondContact O-CB 3.36Å; L328-N332 VanDerWaalsContact O-CG 3.26Å; L328-N332 PolarHBondContact O-N 3.41Å; L328-N332 PolarHBondContact O-OD1 3.39Å; L329-N332 PolarHBondContact O-N 3.45Å; Y330-N332 VanDerWaalsContact C-N 3.34Å; N332-G336 CarbonylContact O-C 3.57Å; N332-G336 WeakPolarHBondContact O-CA 3.42Å; N332-G336 PolarHBondContact O-N 2.85Å; N332-P337 PolarHBondContact OD1-O 2.76Å; N332-G340 WeakPolarHBondContact OD1-CA 3.21Å; N332-S341 PolarHBondContact ND2-OG 3.32Å; N332-S341 PolarHBondContact OD1-N 2.86Å; N332-S341 PolarHBondContact OD1-OG 2.94Å
333D90.9Very high92Very high42 Ų4238.9 Ų38.923%0.22522%0.22CC..Hα-helixtrans-71-33.5175-63.7-27.5000111.9G67 S68 S69 L329 Y330 L331G67-D333 WeakPolarHBondContact CA-OD1 3.33Å; G67-D333 WeakPolarHBondContact CA-OD2 3.36Å; G67-D333 PolarHBondContact N-OD1 2.76Å; G67-D333 PolarHBondContact N-OD2 3.34Å; S68-D333 PolarHBondContact N-OD1 2.93Å; S69-D333 WeakPolarHBondContact CB-OD1 3.47Å; S69-D333 PolarHBondContact N-OD1 3.43Å; L329-D333 VanDerWaalsContact O-CG 3.25Å; L329-D333 PolarHBondContact O-N 3.36Å; Y330-D333 PolarHBondContact O-N 3.11Å; L331-D333 VanDerWaalsContact C-N 3.33Å
334H88.6Confident91.9Very high102 Ų10237.8 Ų37.847%0.47221%0.214SC..Hα-helixtrans-82.9-37.8-178-77.368.8000114Y330 L331Y330-H334 AromaticContact CD2-CE1 3.59Å; Y330-H334 AromaticContact CD2-ND1 3.78Å; Y330-H334 AromaticContact CE2-CE1 3.03Å; Y330-H334 WeakPolarHBondContact CE2-CE1 3.42Å; Y330-H334 AromaticContact CE2-ND1 3.54Å; Y330-H334 AromaticContact CE2-NE2 3.64Å; Y330-H334 AromaticContact CZ-CE1 3.4Å; Y330-H334 AromaticContact CZ-ND1 3.68Å; Y330-H334 AromaticContact CZ-NE2 3.64Å; Y330-H334 PolarHBondContact O-N 2.79Å; Y330-H334 VanDerWaalsContact O-N 3.13Å; Y330-H334 PolarHBondContact O-ND1 2.85Å; Y330-H334 PolarHBondContact OH-NE2 3.17Å; L331-H334 PolarHBondContact O-N 3.32Å
335Y90.3Very high91.8Very high74 Ų7440 Ų4029%0.2923%0.231SC..Hα-helixtrans-115.62-173.5-58.3-77.1000113.3C295 L297 C300 L331 V339 I343C295-Y335 PolarHBondContact O-OH 2.9Å; L297-Y335 HydrophobicContact CD1-CD1 4.43Å; L297-Y335 HydrophobicContact CD1-CE1 4.17Å; C300-Y335 PolarHBondContact SG-OH 3.46Å; L331-Y335 HydrophobicContact CD2-CD2 4.14Å; L331-Y335 HydrophobicContact CD2-CE2 3.88Å; L331-Y335 WeakPolarHBondContact O-CD2 3.38Å; L331-Y335 PolarHBondContact O-N 3.19Å; Y335-V339 WeakPolarHBondContact O-CB 3.5Å; Y335-I343 HydrophobicContact CD1-CD1 4.17Å; Y335-I343 HydrophobicContact CD2-CD1 3.45Å; Y335-I343 VanDerWaalsContact CD2-CD1 3.45Å; Y335-I343 HydrophobicContact CE2-CD1 3.86Å; Y335-I343 HydrophobicContact CG-CD1 3.63Å
336G91.1Very high91.8Very high25 Ų2541.9 Ų41.926%0.25825%0.245SC..  trans80.7158.1-171.300000112.7N332 L338 G340N332-G336 CarbonylContact O-C 3.57Å; N332-G336 WeakPolarHBondContact O-CA 3.42Å; N332-G336 PolarHBondContact O-N 2.85Å; G336-L338 VanDerWaalsContact C-N 3.33Å; G336-L338 PolarHBondContact O-N 3.1Å; G336-G340 WeakPolarHBondContact O-CA 3.29Å; G336-G340 PolarHBondContact O-N 2.76Å
337P90.5Very high91.7Very high44 Ų4442.9 Ų42.929%0.28625%0.249SC..Hα-helixtrans-58.9-36.2-170-27.335000115.3S73 N332 S341S73-P337 WeakPolarHBondContact OG-CG 3.48Å; N332-P337 PolarHBondContact OD1-O 2.76Å; P337-S341 WeakPolarHBondContact O-CB 3.46Å; P337-S341 PolarHBondContact O-N 2.89Å; P337-S341 PolarHBondContact O-OG 3.01Å
338L91.6Very high91.7Very high155 Ų15544.5 Ų44.581%0.81225%0.254SS*.Hα-helixtrans-73.4-56.5-177.9-176.566000111.5G336 S341 G342G336-L338 VanDerWaalsContact C-N 3.33Å; G336-L338 PolarHBondContact O-N 3.1Å; L338-S341 PolarHBondContact O-N 2.85Å; L338-G342 PolarHBondContact O-N 3.28Å; L338-G342 VanDerWaalsContact O-N 3.08Å
339V92.3Very high91.6Very high79 Ų7947 Ų4748%0.47927%0.267SS..Hα-helixtrans-68.1-44-177.6-178.90000110.2Y335 S341 G342 I343Y335-V339 WeakPolarHBondContact O-CB 3.5Å; V339-S341 VanDerWaalsContact C-N 3.3Å; V339-S341 PolarHBondContact O-N 2.91Å; V339-G342 WeakPolarHBondContact O-CA 3.4Å; V339-G342 PolarHBondContact O-N 3.5Å; V339-G342 VanDerWaalsContact O-N 3.09Å; V339-I343 HydrophobicContact CG1-CD1 4.01Å; V339-I343 HydrophobicContact CG1-CG1 4.43Å; V339-I343 WeakPolarHBondContact O-CG1 3.49Å; V339-I343 PolarHBondContact O-N 3.31Å
340G92.6Very high91.4Very high0 Ų049.6 Ų49.60%028%0.276CS..Hα-helixtrans-57-41.7175.900000112.8L331 N332 G336 I343 A344L331-G340 WeakPolarHBondContact O-CA 3.4Å; N332-G340 WeakPolarHBondContact OD1-CA 3.21Å; G336-G340 WeakPolarHBondContact O-CA 3.29Å; G336-G340 PolarHBondContact O-N 2.76Å; G340-I343 PolarHBondContact O-N 3.32Å; G340-A344 WeakPolarHBondContact O-CB 3.3Å; G340-A344 PolarHBondContact O-N 3.16Å
341S94.1Very high91.3Very high49 Ų4948.1 Ų48.134%0.34327%0.271SS..Hα-helixtrans-69.2-35.6177.1-62.50000111.6N332 P337 L338 V339 A344 C345N332-S341 PolarHBondContact ND2-OG 3.32Å; N332-S341 PolarHBondContact OD1-N 2.86Å; N332-S341 PolarHBondContact OD1-OG 2.94Å; P337-S341 WeakPolarHBondContact O-CB 3.46Å; P337-S341 PolarHBondContact O-N 2.89Å; P337-S341 PolarHBondContact O-OG 3.01Å; L338-S341 PolarHBondContact O-N 2.85Å; V339-S341 VanDerWaalsContact C-N 3.3Å; V339-S341 PolarHBondContact O-N 2.91Å; S341-A344 PolarHBondContact O-N 3Å; S341-C345 VanDerWaalsContact O-CB 3.29Å; S341-C345 WeakPolarHBondContact O-CB 3.37Å; S341-C345 PolarHBondContact O-N 3.13Å
342G93.9Very high91.1Very high36 Ų3648.2 Ų48.237%0.37127%0.271SS..Hα-helixtrans-62.8-43.4172.800000112.8L338 V339 C345 S346L338-G342 PolarHBondContact O-N 3.28Å; L338-G342 VanDerWaalsContact O-N 3.08Å; V339-G342 WeakPolarHBondContact O-CA 3.4Å; V339-G342 PolarHBondContact O-N 3.5Å; V339-G342 VanDerWaalsContact O-N 3.09Å; G342-C345 PolarHBondContact O-N 3.15Å; G342-S346 PolarHBondContact O-N 3.27Å; G342-S346 PolarHBondContact O-OG 2.76Å
343I92.4Very high90.8Very high6 Ų652.2 Ų52.23%0.03129%0.291CS..Hα-helixtrans-64.5-46.3174.3-62163.3000110.2L297 C300 L301 L331 Y335 V339 G340 C345 S346 H347L297-I343 HydrophobicContact CD1-CD1 3.38Å; L297-I343 HydrophobicContact CD1-CG1 3.93Å; C300-I343 HydrophobicContact CB-CG2 3.43Å; C300-I343 VanDerWaalsContact CB-CG2 3.43Å; L301-I343 HydrophobicContact CD2-CG1 4.42Å; L301-I343 HydrophobicContact CD2-CG2 4.45Å; L331-I343 HydrophobicContact CD1-CB 4.31Å; L331-I343 HydrophobicContact CD1-CG2 3.86Å; L331-I343 HydrophobicContact CD2-CG2 3.98Å; L331-I343 HydrophobicContact CG-CG2 4.5Å; Y335-I343 HydrophobicContact CD1-CD1 4.17Å; Y335-I343 HydrophobicContact CD2-CD1 3.45Å; Y335-I343 VanDerWaalsContact CD2-CD1 3.45Å; Y335-I343 HydrophobicContact CE2-CD1 3.86Å; Y335-I343 HydrophobicContact CG-CD1 3.63Å; V339-I343 HydrophobicContact CG1-CD1 4.01Å; V339-I343 HydrophobicContact CG1-CG1 4.43Å; V339-I343 WeakPolarHBondContact O-CG1 3.49Å; V339-I343 PolarHBondContact O-N 3.31Å; G340-I343 PolarHBondContact O-N 3.32Å; I343-C345 VanDerWaalsContact C-N 3.3Å; I343-C345 PolarHBondContact O-N 3.4Å; I343-S346 WeakPolarHBondContact O-CB 3.24Å; I343-S346 PolarHBondContact O-N 2.87Å; I343-S346 VanDerWaalsContact O-N 3.15Å; I343-H347 WeakPolarHBondContact O-CB 3.37Å; I343-H347 PolarHBondContact O-N 3.21Å
344A92.4Very high90.5Very high1 Ų151 Ų511%0.00829%0.287CS..Hα-helixtrans-61.1-39.5178.900000111.9L328 L331 G340 S341 H347 F348 W376L328-A344 HydrophobicContact CB-CB 4.3Å; L328-A344 HydrophobicContact CD1-CB 3.57Å; L331-A344 HydrophobicContact CD1-CB 3.8Å; G340-A344 WeakPolarHBondContact O-CB 3.3Å; G340-A344 PolarHBondContact O-N 3.16Å; S341-A344 PolarHBondContact O-N 3Å; A344-H347 WeakPolarHBondContact O-CB 3.34Å; A344-H347 PolarHBondContact O-N 3.22Å; A344-F348 WeakPolarHBondContact O-CB 3.35Å; A344-F348 PolarHBondContact O-N 3.09Å; A344-W376 HydrophobicContact CB-CH2 4Å; A344-W376 HydrophobicContact CB-CZ3 4.08Å; A344-W376 WeakPolarHBondContact O-CH2 3.2Å
345C92.6Very high90.1Very high69 Ų6946.2 Ų46.247%0.46627%0.265SS..Hα-helixtrans-61.2-49.6173-170.30000110.7S341 G342 I343 H347 F348 L349S341-C345 VanDerWaalsContact O-CB 3.29Å; S341-C345 WeakPolarHBondContact O-CB 3.37Å; S341-C345 PolarHBondContact O-N 3.13Å; G342-C345 PolarHBondContact O-N 3.15Å; I343-C345 VanDerWaalsContact C-N 3.3Å; I343-C345 PolarHBondContact O-N 3.4Å; C345-H347 VanDerWaalsContact C-N 3.33Å; C345-H347 PolarHBondContact O-N 3.13Å; C345-F348 PolarHBondContact O-N 3.34Å; C345-F348 VanDerWaalsContact O-N 3.11Å; C345-L349 WeakPolarHBondContact O-CD1 3.32Å; C345-L349 PolarHBondContact O-N 3.48Å; C345-L349 WeakPolarHBondContact SG-CD1 3.5Å
346S91Very high89.5Confident50 Ų5043.1 Ų43.135%0.3525%0.254SS..Hα-helixtrans-58-45.3177.4-56.60000111.9G342 I343 F348 L349 Y350G342-S346 PolarHBondContact O-N 3.27Å; G342-S346 PolarHBondContact O-OG 2.76Å; I343-S346 WeakPolarHBondContact O-CB 3.24Å; I343-S346 PolarHBondContact O-N 2.87Å; I343-S346 VanDerWaalsContact O-N 3.15Å; S346-F348 PolarHBondContact O-N 2.91Å; S346-L349 PolarHBondContact O-N 3.4Å; S346-Y350 VanDerWaalsContact O-CB 3.28Å; S346-Y350 WeakPolarHBondContact O-CB 3.35Å; S346-Y350 PolarHBondContact O-N 3.33Å
347H89.8Confident88.8Confident28 Ų2848.7 Ų48.713%0.1327%0.272CS..Hα-helixtrans-57.5-47174.2-178-55.8000111.4P303 I343 A344 C345 S351 W376P303-H347 WeakPolarHBondContact CB-CD2 3.3Å; P303-H347 WeakPolarHBondContact CB-NE2 3.46Å; P303-H347 HydrophobicContact CG-CB 4.37Å; P303-H347 WeakPolarHBondContact CG-CD2 3.39Å; P303-H347 VanDerWaalsContact CG-NE2 3.33Å; P303-H347 WeakPolarHBondContact CG-NE2 3.47Å; I343-H347 WeakPolarHBondContact O-CB 3.37Å; I343-H347 PolarHBondContact O-N 3.21Å; A344-H347 WeakPolarHBondContact O-CB 3.34Å; A344-H347 PolarHBondContact O-N 3.22Å; C345-H347 VanDerWaalsContact C-N 3.33Å; C345-H347 PolarHBondContact O-N 3.13Å; H347-S351 WeakPolarHBondContact O-CB 3.41Å; H347-S351 PolarHBondContact O-N 2.74Å; H347-S351 PolarHBondContact O-OG 2.94Å; H347-W376 AromaticContact ND1-CZ2 3.68Å
348F91Very high87.8Confident54 Ų5449.9 Ų49.924%0.23728%0.281CS..Hα-helixtrans-63.9-45179179.4-96.5000112.7A344 C345 S346 N352 I374 W376A344-F348 WeakPolarHBondContact O-CB 3.35Å; A344-F348 PolarHBondContact O-N 3.09Å; C345-F348 PolarHBondContact O-N 3.34Å; C345-F348 VanDerWaalsContact O-N 3.11Å; S346-F348 PolarHBondContact O-N 2.91Å; F348-N352 WeakPolarHBondContact CE2-ND2 3.39Å; F348-N352 VanDerWaalsContact CZ-ND2 3.35Å; F348-N352 WeakPolarHBondContact CZ-ND2 2.91Å; F348-N352 PolarHBondContact O-N 2.93Å; F348-N352 PolarHBondContact O-ND2 3.45Å; F348-I374 WeakPolarHBondContact CE2-O 3.2Å; F348-W376 HydrophobicContact CB-CH2 4.07Å; F348-W376 HydrophobicContact CB-CZ2 3.95Å; F348-W376 HydrophobicContact CB-CZ3 4.43Å; F348-W376 AromaticContact CD2-CD1 3.96Å; F348-W376 AromaticContact CD2-CD2 3.8Å; F348-W376 HydrophobicContact CD2-CD2 3.8Å; F348-W376 AromaticContact CD2-CE2 3.77Å; F348-W376 HydrophobicContact CD2-CE3 4.39Å; F348-W376 AromaticContact CD2-CG 3.95Å; F348-W376 HydrophobicContact CD2-CG 3.95Å; F348-W376 HydrophobicContact CD2-CZ2 4.35Å; F348-W376 AromaticContact CD2-NE1 3.82Å; F348-W376 HydrophobicContact CE2-CG 4.26Å
349L90.5Very high86.2Confident92 Ų9243.3 Ų43.348%0.48225%0.248SC..Hα-helixtrans-63.7-51.1177.4-86.590.1000110.7C345 S346 S351 N352 I353C345-L349 WeakPolarHBondContact O-CD1 3.32Å; C345-L349 PolarHBondContact O-N 3.48Å; C345-L349 WeakPolarHBondContact SG-CD1 3.5Å; S346-L349 PolarHBondContact O-N 3.4Å; L349-S351 PolarHBondContact O-N 2.99Å; L349-N352 PolarHBondContact O-N 3.29Å; L349-I353 VanDerWaalsContact O-CG1 3.3Å; L349-I353 WeakPolarHBondContact O-CG1 3.15Å; L349-I353 PolarHBondContact O-N 3.45Å
350Y88.7Confident84.3Confident88 Ų8842.7 Ų42.735%0.34524%0.242SC..Hα-helixtrans-56.9-49.1179.2173.5-97.7000111.3L302 P303 S346 N352 I353 A354L302-Y350 HydrophobicContact CD2-CD1 4.47Å; L302-Y350 HydrophobicContact CD2-CD2 3.43Å; L302-Y350 VanDerWaalsContact CD2-CD2 3.43Å; L302-Y350 HydrophobicContact CD2-CE2 3.55Å; L302-Y350 HydrophobicContact CD2-CG 3.92Å; P303-Y350 HydrophobicContact CG-CD1 3.93Å; P303-Y350 HydrophobicContact CG-CE1 4.41Å; P303-Y350 WeakPolarHBondContact O-CE1 3.43Å; S346-Y350 VanDerWaalsContact O-CB 3.28Å; S346-Y350 WeakPolarHBondContact O-CB 3.35Å; S346-Y350 PolarHBondContact O-N 3.33Å; Y350-N352 VanDerWaalsContact C-N 3.29Å; Y350-N352 PolarHBondContact O-N 3.05Å; Y350-I353 PolarHBondContact O-N 3.45Å; Y350-A354 HydrophobicContact CE1-CB 4.41Å; Y350-A354 WeakPolarHBondContact O-CB 3.49Å; Y350-A354 PolarHBondContact O-N 2.93Å
351S87.5Confident82.2Confident5 Ų548 Ų484%0.03528%0.279CS..Hα-helixtrans-60.1-39.4-179-62.80000112.5H347 L349 A355 I374H347-S351 WeakPolarHBondContact O-CB 3.41Å; H347-S351 PolarHBondContact O-N 2.74Å; H347-S351 PolarHBondContact O-OG 2.94Å; L349-S351 PolarHBondContact O-N 2.99Å; S351-A355 VanDerWaalsContact O-CB 3.26Å; S351-A355 WeakPolarHBondContact O-CB 3.14Å; S351-A355 PolarHBondContact O-N 3.42Å; S351-I374 WeakPolarHBondContact O-CD1 2.93Å
352N88.8Confident80Confident6 Ų651.1 Ų51.13%0.03230%0.296CS..Hα-helixtrans-70.3-40.5177.6-87.5-78.3000112.8F348 L349 Y350 A355 V356 W371 K373 I374F348-N352 WeakPolarHBondContact CE2-ND2 3.39Å; F348-N352 VanDerWaalsContact CZ-ND2 3.35Å; F348-N352 WeakPolarHBondContact CZ-ND2 2.91Å; F348-N352 PolarHBondContact O-N 2.93Å; F348-N352 PolarHBondContact O-ND2 3.45Å; L349-N352 PolarHBondContact O-N 3.29Å; Y350-N352 VanDerWaalsContact C-N 3.29Å; Y350-N352 PolarHBondContact O-N 3.05Å; N352-A355 PolarHBondContact O-N 2.85Å; N352-V356 WeakPolarHBondContact O-CG2 3.32Å; N352-V356 PolarHBondContact O-N 3.24Å; N352-W371 WeakPolarHBondContact CB-O 3.43Å; N352-W371 PolarHBondContact OD1-O 2.91Å; N352-W371 VanDerWaalsContact OD1-O 3.1Å; N352-K373 PolarHBondContact OD1-N 3.49Å; N352-K373 VanDerWaalsContact OD1-N 3.16Å; N352-I374 PolarHBondContact ND2-O 2.69Å; N352-I374 PolarHBondContact OD1-N 2.8Å; N352-I374 PolarHBondContact OD1-O 3.49Å
353I86.3Confident77.5Confident91 Ų9155.4 Ų55.447%0.46731%0.31SS..Hα-helixtrans-61-51.7175.6-70.8169.3000109.4L349 Y350 A355 V356 F357L349-I353 VanDerWaalsContact O-CG1 3.3Å; L349-I353 WeakPolarHBondContact O-CG1 3.15Å; L349-I353 PolarHBondContact O-N 3.45Å; Y350-I353 PolarHBondContact O-N 3.45Å; I353-A355 VanDerWaalsContact C-N 3.3Å; I353-A355 PolarHBondContact O-N 3.42Å; I353-V356 PolarHBondContact O-N 3Å; I353-V356 VanDerWaalsContact O-N 3.13Å; I353-F357 HydrophobicContact CG2-CD2 3.68Å; I353-F357 HydrophobicContact CG2-CE2 3.59Å; I353-F357 WeakPolarHBondContact O-CD2 3.26Å; I353-F357 PolarHBondContact O-N 2.88Å; I353-F357 VanDerWaalsContact O-N 3.09Å
354A83.5Confident75.3Confident17 Ų1758.7 Ų58.714%0.1435%0.346CS..Hα-helixtrans-62.5-36.7-179.100000112.2L305 Y350 V356 F357 S358L305-A354 HydrophobicContact CD1-CB 3.53Å; L305-A354 HydrophobicContact CD2-CB 4.24Å; L305-A354 HydrophobicContact CG-CB 4.27Å; Y350-A354 HydrophobicContact CE1-CB 4.41Å; Y350-A354 WeakPolarHBondContact O-CB 3.49Å; Y350-A354 PolarHBondContact O-N 2.93Å; A354-V356 VanDerWaalsContact C-N 3.32Å; A354-V356 PolarHBondContact O-N 2.98Å; A354-F357 PolarHBondContact O-N 3.12Å; A354-S358 PolarHBondContact O-N 2.93Å; A354-S358 PolarHBondContact O-OG 3.41Å
355A81.1Confident73.1Confident1 Ų164.4 Ų64.41%0.00838%0.376CS..Hα-helixtrans-61.2-36.8174.700000113.9L309 S351 N352 I353 S358 K373 I374L309-A355 HydrophobicContact CD1-CB 4.09Å; L309-A355 HydrophobicContact CD2-CB 3.7Å; L309-A355 HydrophobicContact CG-CB 4.37Å; S351-A355 VanDerWaalsContact O-CB 3.26Å; S351-A355 WeakPolarHBondContact O-CB 3.14Å; S351-A355 PolarHBondContact O-N 3.42Å; N352-A355 PolarHBondContact O-N 2.85Å; I353-A355 VanDerWaalsContact C-N 3.3Å; I353-A355 PolarHBondContact O-N 3.42Å; A355-S358 WeakPolarHBondContact CA-OG 3.41Å; A355-S358 PolarHBondContact O-OG 3.12Å; A355-K373 HydrophobicContact CB-CB 4.06Å; A355-I374 HydrophobicContact CB-CD1 4.17Å; A355-I374 HydrophobicContact CB-CG1 4.41Å
356V77.6Confident70.9Confident10 Ų1069.2 Ų69.26%0.06140%0.395CS..Hα-helixtrans-72.4-37.8175.6171.60000111N352 I353 A354 S359 N360 P369 K373N352-V356 WeakPolarHBondContact O-CG2 3.32Å; N352-V356 PolarHBondContact O-N 3.24Å; I353-V356 PolarHBondContact O-N 3Å; I353-V356 VanDerWaalsContact O-N 3.13Å; A354-V356 VanDerWaalsContact C-N 3.32Å; A354-V356 PolarHBondContact O-N 2.98Å; V356-S359 PolarHBondContact O-N 3.33Å; V356-S359 PolarHBondContact O-OG 2.93Å; V356-N360 PolarHBondContact O-N 3.07Å; V356-P369 HydrophobicContact CG1-CB 3.61Å; V356-K373 HydrophobicContact CG2-CG 4.35Å
357F76.7Confident69Low142 Ų14274.4 Ų74.462%0.62341%0.412SS*.Hα-helixtrans-74.6-33.7178.6-74.8-67.6000112.9I353 A354 S359 N360I353-F357 HydrophobicContact CG2-CD2 3.68Å; I353-F357 HydrophobicContact CG2-CE2 3.59Å; I353-F357 WeakPolarHBondContact O-CD2 3.26Å; I353-F357 PolarHBondContact O-N 2.88Å; I353-F357 VanDerWaalsContact O-N 3.09Å; A354-F357 PolarHBondContact O-N 3.12Å; F357-S359 PolarHBondContact O-N 3.27Å; F357-S359 VanDerWaalsContact O-N 3.16Å; F357-N360 PolarHBondContact O-N 3.19Å
358S69.1Low67.1Low69 Ų6978.9 Ų78.948%0.48344%0.441SS..Hα-helixtrans-62.5-20.9172.461.70000113.1A354 A355A354-S358 PolarHBondContact O-N 2.93Å; A354-S358 PolarHBondContact O-OG 3.41Å; A355-S358 WeakPolarHBondContact CA-OG 3.41Å; A355-S358 PolarHBondContact O-OG 3.12Å
359S57.6Low65.4Low17 Ų1780.1 Ų80.112%0.11946%0.455CS..Hα-helixtrans-85.3-32.917665.70000115T314 V356 F357 S361T314-S359 WeakPolarHBondContact OG1-CB 3.41Å; V356-S359 PolarHBondContact O-N 3.33Å; V356-S359 PolarHBondContact O-OG 2.93Å; F357-S359 PolarHBondContact O-N 3.27Å; F357-S359 VanDerWaalsContact O-N 3.16Å; S359-S361 VanDerWaalsContact C-N 3.34Å; S359-S361 PolarHBondContact O-N 3.15Å
360N52.1Low64Low66 Ų6678 Ų7835%0.35344%0.444SS..Hα-helixtrans-82.8-13.4-168.4-71-6.4000113.4V356 F357 V362 N363V356-N360 PolarHBondContact O-N 3.07Å; F357-N360 PolarHBondContact O-N 3.19Å; N360-V362 PolarHBondContact O-N 3.24Å; N360-N363 PolarHBondContact O-N 3.33Å
361S50Low62.8Low111 Ų11181.5 Ų81.578%0.77646%0.457SS*.THydrogen-bonded Turntrans-63.5-10.2176.8-168.20000114S359S359-S361 VanDerWaalsContact C-N 3.34Å; S359-S361 PolarHBondContact O-N 3.15Å
362V47.7Very low61.8Low114 Ų11485.4 Ų85.469%0.69147%0.473SS*.THydrogen-bonded Turntrans-98.9-24.7-175.6-174.90000113.5N360N360-V362 PolarHBondContact O-N 3.24Å
363N42Very low61.5Low127 Ų12785.4 Ų85.468%0.67947%0.473SS*.THydrogen-bonded Turntrans-133.87.1-164.7-79.5-23000118N360 N365N360-N363 PolarHBondContact O-N 3.33Å; N363-N365 PolarHBondContact O-N 3.32Å
364G45.9Very low61.8Low75 Ų7581.3 Ų81.377%0.77345%0.451SS*.  trans62.6-11.9166.400000118.1
365N46.2Very low62.3Low121 Ų12182.6 Ų82.665%0.64745%0.453SS*.  trans-97.5121.3-179.1-83.1-22.1000110.5N363 F367N363-N365 PolarHBondContact O-N 3.32Å; N365-F367 HydrophobicContact CB-CD2 4.28Å; N365-F367 PolarHBondContact O-N 3.41Å
366I46.9Very low62.9Low170 Ų17084.4 Ų84.487%0.87246%0.459SS*.  trans-7274171.8-55.3170.7000107.8
367F49.8Very low63.8Low159 Ų15984.3 Ų84.370%0.69746%0.459SS*.  trans-81.5144.4165.7-104.3-87.9000109.6N365 P369N365-F367 HydrophobicContact CB-CD2 4.28Å; N365-F367 PolarHBondContact O-N 3.41Å; F367-P369 VanDerWaalsContact O-N 3.07Å
368T50.3Low64.6Low121 Ų12182.1 Ų82.174%0.74245%0.449SS*.  trans-35.7113.1-178.650.90000111.3N370T368-N370 PolarHBondContact O-N 3.04Å
369P54.5Low65.8Low81 Ų8179.3 Ų79.353%0.52643%0.428SS..  trans-64.8106.4-176.624.4-31.1000107.1V356 F367 W371V356-P369 HydrophobicContact CG1-CB 3.61Å; F367-P369 VanDerWaalsContact O-N 3.07Å; P369-W371 PolarHBondContact O-N 3.01Å
370N61.7Low67.6Low47 Ų4784 Ų8425%0.25145%0.447SS..  trans-72.782.3169.8-156.8-23000106.1S317 T368 K372S317-N370 PolarHBondContact O-ND2 2.95Å; T368-N370 PolarHBondContact O-N 3.04Å; N370-K372 PolarHBondContact O-N 3.48Å; N370-K372 WeakPolarHBondContact OD1-CB 3.24Å
371W63.6Low69.6Low162 Ų16281.3 Ų81.361%0.61443%0.432SS*.  trans-578.8-177.260.7-81.8000114.8N352 P369N352-W371 WeakPolarHBondContact CB-O 3.43Å; N352-W371 PolarHBondContact OD1-O 2.91Å; N352-W371 VanDerWaalsContact OD1-O 3.1Å; P369-W371 PolarHBondContact O-N 3.01Å
372K66.1Low71.8Confident86 Ų8678.3 Ų78.337%0.37441%0.408SS..  trans-12441.5-161.6-104.1-168.6-162.1-174.90107.5R320 N370 R375R320-K372 WeakPolarHBondContact CD-O 3.12Å; R320-K372 VanDerWaalsContact CZ-O 3.28Å; R320-K372 PolarHBondContact NE-O 2.88Å; R320-K372 VanDerWaalsContact NE-O 3.11Å; R320-K372 PolarHBondContact NH1-O 3.44Å; N370-K372 PolarHBondContact O-N 3.48Å; N370-K372 WeakPolarHBondContact OD1-CB 3.24Å; K372-R375 VanDerWaalsContact CG-NH2 3.27Å; K372-R375 PolarHBondContact O-NH1 3.41Å; K372-R375 PolarHBondContact O-NH2 3.5Å
373K83.6Confident74.1Confident7 Ų773.9 Ų73.93%0.0338%0.382CS..SBendtrans-81.6-43.3177-64.9-60-172.4166.70112.4L312 T314 S316 A319 R320 Y321 N352 A355 V356L312-K373 HydrophobicContact CD2-CB 4.21Å; L312-K373 HydrophobicContact CD2-CD 4.25Å; T314-K373 PolarHBondContact O-NZ 3.42Å; S316-K373 PolarHBondContact O-NZ 2.86Å; A319-K373 WeakPolarHBondContact O-CD 3.15Å; R320-K373 CarbonylContact C-O 3.51Å; R320-K373 VanDerWaalsContact CA-O 3.29Å; R320-K373 WeakPolarHBondContact CA-O 3.39Å; Y321-K373 PolarHBondContact N-O 3.35Å; N352-K373 PolarHBondContact OD1-N 3.49Å; N352-K373 VanDerWaalsContact OD1-N 3.16Å; A355-K373 HydrophobicContact CB-CB 4.06Å; V356-K373 HydrophobicContact CG2-CG 4.35Å
374I91.7Very high76.6Confident4 Ų473.9 Ų73.92%0.02138%0.382CS..EExtended strand (participates in β ladder)trans-96.2132.9179-62.1170.4000109.7L305 L309 Y321 F348 S351 N352 A355L305-I374 HydrophobicContact CD2-CD1 4.47Å; L309-I374 HydrophobicContact CD1-CD1 4.4Å; L309-I374 HydrophobicContact CD1-CG1 4.29Å; L309-I374 HydrophobicContact CD2-CD1 4.48Å; Y321-I374 HydrophobicContact CD1-CG2 4.43Å; Y321-I374 CarbonylContact O-C 3.54Å; Y321-I374 VanDerWaalsContact O-CA 3.31Å; Y321-I374 WeakPolarHBondContact O-CA 3.26Å; F348-I374 WeakPolarHBondContact CE2-O 3.2Å; S351-I374 WeakPolarHBondContact O-CD1 2.93Å; N352-I374 PolarHBondContact ND2-O 2.69Å; N352-I374 PolarHBondContact OD1-N 2.8Å; N352-I374 PolarHBondContact OD1-O 3.49Å; A355-I374 HydrophobicContact CB-CD1 4.17Å; A355-I374 HydrophobicContact CB-CG1 4.41Å
375R94Very high79.1Confident45 Ų4570.8 Ų70.817%0.1735%0.348CS..EExtended strand (participates in β ladder)trans-122.8135.7172.9-69.9-68177.3-62.7-26.5110.4A189 R320 Y321 I322 M323 K372A189-R375 HydrophobicContact CB-CB 4Å; A189-R375 HydrophobicContact CB-CG 4.25Å; R320-R375 VanDerWaalsContact NE-NH2 3.1Å; Y321-R375 PolarHBondContact O-N 2.92Å; I322-R375 HydrophobicContact CD1-CB 3.67Å; I322-R375 HydrophobicContact CD1-CG 3.98Å; M323-R375 PolarHBondContact N-O 3.45Å; K372-R375 VanDerWaalsContact CG-NH2 3.27Å; K372-R375 PolarHBondContact O-NH1 3.41Å; K372-R375 PolarHBondContact O-NH2 3.5Å
376W94.6Very high81.5Confident39 Ų3965 Ų6515%0.14832%0.317CS..EExtended strand (participates in β ladder)trans-91.6135.6165.3-66.2-3000108.7M323 P326 P327 L328 A344 H347 F348 F378M323-W376 HydrophobicContact CE-CZ2 4.32Å; M323-W376 VanDerWaalsContact CE-NE1 3.28Å; P326-W376 HydrophobicContact CB-CB 3.96Å; P326-W376 HydrophobicContact CB-CD2 3.38Å; P326-W376 HydrophobicContact CB-CE3 3.44Å; P326-W376 VanDerWaalsContact CB-CE3 3.44Å; P326-W376 HydrophobicContact CB-CG 3.64Å; P326-W376 HydrophobicContact CB-CH2 4.47Å; P326-W376 HydrophobicContact CB-CZ2 4.44Å; P326-W376 HydrophobicContact CB-CZ3 4.01Å; P326-W376 HydrophobicContact CG-CB 4.3Å; P326-W376 HydrophobicContact CG-CE3 4.49Å; P326-W376 HydrophobicContact CG-CG 4.49Å; P327-W376 HydrophobicContact CG-CH2 3.98Å; P327-W376 HydrophobicContact CG-CZ2 4.02Å; L328-W376 HydrophobicContact CB-CZ3 4.22Å; A344-W376 HydrophobicContact CB-CH2 4Å; A344-W376 HydrophobicContact CB-CZ3 4.08Å; A344-W376 WeakPolarHBondContact O-CH2 3.2Å; H347-W376 AromaticContact ND1-CZ2 3.68Å; F348-W376 HydrophobicContact CB-CH2 4.07Å; F348-W376 HydrophobicContact CB-CZ2 3.95Å; F348-W376 HydrophobicContact CB-CZ3 4.43Å; F348-W376 AromaticContact CD2-CD1 3.96Å; F348-W376 AromaticContact CD2-CD2 3.8Å; F348-W376 HydrophobicContact CD2-CD2 3.8Å; F348-W376 AromaticContact CD2-CE2 3.77Å; F348-W376 HydrophobicContact CD2-CE3 4.39Å; F348-W376 AromaticContact CD2-CG 3.95Å; F348-W376 HydrophobicContact CD2-CG 3.95Å; F348-W376 HydrophobicContact CD2-CZ2 4.35Å; F348-W376 AromaticContact CD2-NE1 3.82Å; F348-W376 HydrophobicContact CE2-CG 4.26Å; W376-F378 HydrophobicContact CB-CE2 4.08Å; W376-F378 HydrophobicContact CB-CZ 4.48Å; W376-F378 HydrophobicContact CE3-CZ 4.24Å
377V95.8Very high83.9Confident7 Ų759.7 Ų59.74%0.04229%0.29CS..  trans-112.5136.1175.7171.50000108.4A185 A189 I322 M323 L324A185-V377 HydrophobicContact CB-CG1 4.41Å; A185-V377 HydrophobicContact CB-CG2 4.22Å; A189-V377 HydrophobicContact CB-CG2 3.49Å; A189-V377 VanDerWaalsContact CB-CG2 3.49Å; I322-V377 HydrophobicContact CG2-CB 4.37Å; I322-V377 HydrophobicContact CG2-CG2 3.34Å; M323-V377 PolarHBondContact O-N 2.86Å; L324-V377 HydrophobicContact CD2-CB 3.76Å; L324-V377 HydrophobicContact CD2-CG1 3.81Å; L324-V377 HydrophobicContact CD2-CG2 4.35Å
378F93.2Very high86.2Confident96 Ų9655.8 Ų55.842%0.42127%0.272SS..  trans-117.3144169.9-60.6-86.6000107.6P326 L328 W376P326-F378 HydrophobicContact CB-CE1 4.32Å; P326-F378 HydrophobicContact CB-CZ 4.08Å; P326-F378 HydrophobicContact CG-CD1 4.1Å; P326-F378 HydrophobicContact CG-CE1 3.39Å; P326-F378 HydrophobicContact CG-CE2 4.34Å; P326-F378 HydrophobicContact CG-CZ 3.54Å; L328-F378 HydrophobicContact CB-CZ 4.46Å; L328-F378 HydrophobicContact CD2-CE1 3.96Å; L328-F378 HydrophobicContact CD2-CZ 3.77Å; W376-F378 HydrophobicContact CB-CE2 4.08Å; W376-F378 HydrophobicContact CB-CZ 4.48Å; W376-F378 HydrophobicContact CE3-CZ 4.24Å
379F94.7Very high88.5Confident10 Ų1050 Ų504%0.04424%0.236CC..  trans-55.1142.3169.3162.9-100.3000109.8A136 T137 W138 Y177 L180 P381A136-F379 HydrophobicContact CB-CE2 3.81Å; A136-F379 HydrophobicContact CB-CZ 3.57Å; T137-F379 VanDerWaalsContact O-CE1 3.23Å; T137-F379 WeakPolarHBondContact O-CE1 3.36Å; W138-F379 HydrophobicContact CD2-CE1 4.49Å; W138-F379 HydrophobicContact CE3-CD1 4.06Å; W138-F379 HydrophobicContact CE3-CE1 4.43Å; W138-F379 WeakPolarHBondContact CH2-O 3.44Å; W138-F379 HydrophobicContact CZ3-CD1 4.29Å; W138-F379 WeakPolarHBondContact CZ3-O 3.34Å; Y177-F379 HydrophobicContact CD1-CD2 4.42Å; Y177-F379 HydrophobicContact CD2-CB 4.33Å; Y177-F379 AromaticContact CD2-CD1 3.89Å; Y177-F379 HydrophobicContact CD2-CD1 3.89Å; Y177-F379 AromaticContact CD2-CD2 3.47Å; Y177-F379 HydrophobicContact CD2-CD2 3.47Å; Y177-F379 VanDerWaalsContact CD2-CD2 3.47Å; Y177-F379 AromaticContact CD2-CE1 4Å; Y177-F379 HydrophobicContact CD2-CE1 4Å; Y177-F379 AromaticContact CD2-CE2 3.62Å; Y177-F379 HydrophobicContact CD2-CE2 3.62Å; Y177-F379 AromaticContact CD2-CG 3.61Å; Y177-F379 HydrophobicContact CD2-CG 3.61Å; Y177-F379 AromaticContact CD2-CZ 3.87Å; Y177-F379 HydrophobicContact CD2-CZ 3.87Å; Y177-F379 HydrophobicContact CE1-CB 4.24Å; Y177-F379 HydrophobicContact CE1-CG 4.48Å; Y177-F379 HydrophobicContact CE2-CB 3.62Å; Y177-F379 AromaticContact CE2-CD1 3.48Å; Y177-F379 HydrophobicContact CE2-CD1 3.48Å; Y177-F379 VanDerWaalsContact CE2-CD1 3.48Å; Y177-F379 AromaticContact CE2-CD2 3.65Å; Y177-F379 HydrophobicContact CE2-CD2 3.65Å; Y177-F379 AromaticContact CE2-CE1 4Å; Y177-F379 HydrophobicContact CE2-CE1 4Å; Y177-F379 HydrophobicContact CE2-CE2 4.17Å; Y177-F379 AromaticContact CE2-CG 3.26Å; Y177-F379 HydrophobicContact CE2-CG 3.26Å; Y177-F379 HydrophobicContact CE2-CZ 4.32Å; Y177-F379 AromaticContact CG-CD2 3.88Å; Y177-F379 HydrophobicContact CG-CD2 3.88Å; Y177-F379 HydrophobicContact CG-CE2 4.1Å; Y177-F379 HydrophobicContact CG-CG 4.36Å; Y177-F379 AromaticContact CZ-CG 3.74Å; L180-F379 HydrophobicContact CB-CD2 4.19Å; L180-F379 HydrophobicContact CB-CE2 3.93Å; L180-F379 HydrophobicContact CD1-CE2 3.82Å; L180-F379 HydrophobicContact CD1-CZ 4.38Å; F379-P381 VanDerWaalsContact CE1-CD 3.45Å; F379-P381 HydrophobicContact CE1-CG 3.55Å; F379-P381 HydrophobicContact CZ-CB 4.34Å; F379-P381 HydrophobicContact CZ-CG 3.63Å
380K94.2Very high90.6Very high117 Ų11746.2 Ų46.251%0.50921%0.211SC..  trans-143.9119.6173.7-179.3-179.7174.5-174.90109.3W138 N382W138-K380 HydrophobicContact CH2-CB 4.13Å; W138-K380 HydrophobicContact CH2-CG 4.35Å; W138-K380 HydrophobicContact CZ2-CB 4.29Å; W138-K380 HydrophobicContact CZ2-CG 4.08Å; K380-N382 PolarHBondContact O-N 3.33Å
381P95.4Very high92.3Very high8 Ų847.6 Ų47.65%0.05222%0.219CC..  trans-57.7136.6169.5-21.632.8000111.2A136 W138 Y159 F379A136-P381 WeakPolarHBondContact O-CG 3.33Å; W138-P381 HydrophobicContact CD2-CG 4.2Å; W138-P381 HydrophobicContact CG-CG 4.13Å; W138-P381 HydrophobicContact CZ2-CG 4.49Å; W138-P381 VanDerWaalsContact NE1-CD 3.35Å; Y159-P381 HydrophobicContact CD1-CB 3.43Å; Y159-P381 VanDerWaalsContact CD1-CB 3.43Å; Y159-P381 HydrophobicContact CD1-CG 4.2Å; Y159-P381 HydrophobicContact CD2-CB 3.88Å; Y159-P381 HydrophobicContact CD2-CG 3.99Å; Y159-P381 HydrophobicContact CE1-CB 3.93Å; Y159-P381 HydrophobicContact CE1-CG 4.32Å; Y159-P381 HydrophobicContact CE2-CB 4.33Å; Y159-P381 HydrophobicContact CE2-CG 4.11Å; Y159-P381 HydrophobicContact CG-CB 3.42Å; Y159-P381 VanDerWaalsContact CG-CB 3.42Å; Y159-P381 HydrophobicContact CG-CG 4.06Å; F379-P381 VanDerWaalsContact CE1-CD 3.45Å; F379-P381 HydrophobicContact CE1-CG 3.55Å; F379-P381 HydrophobicContact CZ-CB 4.34Å; F379-P381 HydrophobicContact CZ-CG 3.63Å
382N95.9Very high93.9Very high49 Ų4940.3 Ų40.326%0.26219%0.192SC..  trans-156.9109.5177.2-174.3-34000110L180 K380 N384 V385 L386L180-N382 HydrophobicContact CD2-CB 4.18Å; K380-N382 PolarHBondContact O-N 3.33Å; N382-N384 PolarHBondContact O-N 3.45Å; N382-N384 PolarHBondContact OD1-N 2.89Å; N382-N384 VanDerWaalsContact OD1-N 3.09Å; N382-V385 HydrophobicContact CB-CB 4.06Å; N382-V385 HydrophobicContact CB-CG2 4.08Å; N382-V385 WeakPolarHBondContact ND2-CG2 3.24Å; N382-V385 PolarHBondContact O-N 3.07Å; N382-V385 PolarHBondContact OD1-N 3.21Å; N382-L386 WeakPolarHBondContact O-CB 3.21Å; N382-L386 PolarHBondContact O-N 2.73Å
383S95.6Very high95.5Very high21 Ų2137.2 Ų37.215%0.14718%0.18CC..Hα-helixtrans-57.6-44.1-18054.10000113.2D158 V160 V385 L386 D387D158-S383 WeakPolarHBondContact O-CB 3.05Å; D158-S383 PolarHBondContact O-N 2.86Å; D158-S383 PolarHBondContact O-OG 3.05Å; V160-S383 WeakPolarHBondContact O-CB 3.49Å; S383-V385 PolarHBondContact O-N 3.39Å; S383-L386 PolarHBondContact O-N 3.16Å; S383-D387 WeakPolarHBondContact O-CB 3.31Å; S383-D387 PolarHBondContact O-N 3.33Å
384N95.8Very high96.2Very high127 Ų12738.3 Ų38.368%0.67919%0.189SC*.Hα-helixtrans-66.6-40.5-176.6-64.1-24.4000111.7N382 Y388N382-N384 PolarHBondContact O-N 3.45Å; N382-N384 PolarHBondContact OD1-N 2.89Å; N382-N384 VanDerWaalsContact OD1-N 3.09Å; N384-Y388 PolarHBondContact O-N 2.97Å
385V97.3Very high96.5Very high9 Ų941.1 Ų41.16%0.05521%0.208CC..Hα-helixtrans-67.8-42.8175.6174.10000110.3L180 W183 N382 S383 D387 Y388 L389L180-V385 HydrophobicContact CD2-CB 3.86Å; L180-V385 HydrophobicContact CD2-CG1 3.67Å; W183-V385 HydrophobicContact CB-CG1 3.68Å; W183-V385 HydrophobicContact CD2-CB 4.33Å; W183-V385 HydrophobicContact CD2-CG1 3.37Å; W183-V385 HydrophobicContact CD2-CG2 4.02Å; W183-V385 HydrophobicContact CE3-CG1 3.76Å; W183-V385 HydrophobicContact CG-CB 4.39Å; W183-V385 HydrophobicContact CG-CG1 3.31Å; W183-V385 HydrophobicContact CG-CG2 4.16Å; W183-V385 HydrophobicContact CZ2-CG2 3.99Å; N382-V385 HydrophobicContact CB-CB 4.06Å; N382-V385 HydrophobicContact CB-CG2 4.08Å; N382-V385 WeakPolarHBondContact ND2-CG2 3.24Å; N382-V385 PolarHBondContact O-N 3.07Å; N382-V385 PolarHBondContact OD1-N 3.21Å; S383-V385 PolarHBondContact O-N 3.39Å; V385-D387 VanDerWaalsContact C-N 3.32Å; V385-D387 PolarHBondContact O-N 3.23Å; V385-Y388 WeakPolarHBondContact O-CB 3.46Å; V385-Y388 PolarHBondContact O-N 3.24Å; V385-L389 HydrophobicContact CG1-CD1 4.01Å; V385-L389 HydrophobicContact CG1-CG 4.36Å; V385-L389 VanDerWaalsContact O-CG 3.31Å; V385-L389 WeakPolarHBondContact O-CG 3.14Å; V385-L389 PolarHBondContact O-N 2.69Å
386L97.9Very high96.6Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-63.6-40.6178.7-174.459.5000111.6A134 A161 L175 L180 N382 S383 L389 L390A134-L386 VanDerWaalsContact O-CD2 3.28Å; A134-L386 WeakPolarHBondContact O-CD2 3.32Å; A161-L386 HydrophobicContact CB-CB 4Å; A161-L386 HydrophobicContact CB-CD2 4.11Å; A161-L386 HydrophobicContact CB-CG 3.89Å; L175-L386 HydrophobicContact CD2-CD1 4.11Å; L175-L386 HydrophobicContact CG-CD1 4.15Å; L180-L386 HydrophobicContact CD2-CB 4.35Å; N382-L386 WeakPolarHBondContact O-CB 3.21Å; N382-L386 PolarHBondContact O-N 2.73Å; S383-L386 PolarHBondContact O-N 3.16Å; L386-L389 PolarHBondContact O-N 2.97Å; L386-L390 HydrophobicContact CD1-CG 4.45Å; L386-L390 HydrophobicContact CG-CD1 4.15Å; L386-L390 HydrophobicContact CG-CG 4.47Å; L386-L390 WeakPolarHBondContact O-CB 3.28Å; L386-L390 VanDerWaalsContact O-CG 3.31Å; L386-L390 WeakPolarHBondContact O-CG 3.12Å; L386-L390 PolarHBondContact O-N 3.16Å
387D97.2Very high96.6Very high59 Ų5950.1 Ų50.132%0.31625%0.254SS..Hα-helixtrans-60.5-46.5174.6-17368.9000111.4A161 S383 V385 L389 L390 N391A161-D387 HydrophobicContact CB-CB 3.87Å; S383-D387 WeakPolarHBondContact O-CB 3.31Å; S383-D387 PolarHBondContact O-N 3.33Å; V385-D387 VanDerWaalsContact C-N 3.32Å; V385-D387 PolarHBondContact O-N 3.23Å; D387-L389 PolarHBondContact O-N 3.2Å; D387-L390 PolarHBondContact O-N 2.77Å; D387-N391 WeakPolarHBondContact O-CB 3.4Å; D387-N391 PolarHBondContact O-N 2.88Å; D387-N391 PolarHBondContact O-ND2 3.48Å; D387-N391 PolarHBondContact OD2-ND2 2.99Å
388Y97.4Very high96.7Very high77 Ų7749.9 Ų49.930%0.30225%0.252SS..Hα-helixtrans-56.3-48.3173.5174.9-93000112.1W183 W225 N384 V385 N391 L392W183-Y388 HydrophobicContact CE3-CD1 4.38Å; W183-Y388 HydrophobicContact CH2-CD1 4.3Å; W183-Y388 HydrophobicContact CH2-CE1 4.48Å; W183-Y388 AromaticContact CZ3-CD1 3.59Å; W183-Y388 HydrophobicContact CZ3-CD1 3.59Å; W183-Y388 AromaticContact CZ3-CE1 3.69Å; W183-Y388 HydrophobicContact CZ3-CE1 3.69Å; W183-Y388 HydrophobicContact CZ3-CG 4.39Å; W225-Y388 HydrophobicContact CZ2-CE1 4.32Å; W225-Y388 PolarHBondContact NE1-OH 3.28Å; N384-Y388 PolarHBondContact O-N 2.97Å; V385-Y388 WeakPolarHBondContact O-CB 3.46Å; V385-Y388 PolarHBondContact O-N 3.24Å; Y388-N391 PolarHBondContact O-N 2.79Å; Y388-L392 HydrophobicContact CD1-CD1 4.16Å; Y388-L392 HydrophobicContact CD1-CG 4.46Å; Y388-L392 HydrophobicContact CE1-CD1 3.46Å; Y388-L392 VanDerWaalsContact CE1-CD1 3.46Å; Y388-L392 HydrophobicContact CE1-CG 4.02Å; Y388-L392 PolarHBondContact O-N 3.25Å; Y388-L392 VanDerWaalsContact O-N 3.07Å
389L98.2Very high96.8Very high0 Ų049.8 Ų49.80%026%0.26CS..Hα-helixtrans-66.2-39.6-179.6-65.7173.6000112L175 L221 V385 L386 D387 N391 L392 V393 L398L175-L389 HydrophobicContact CD1-CB 4.11Å; L175-L389 HydrophobicContact CD1-CD1 4.23Å; L175-L389 HydrophobicContact CD2-CB 3.79Å; L175-L389 HydrophobicContact CG-CB 4.37Å; L221-L389 HydrophobicContact CD1-CD2 3.95Å; L221-L389 HydrophobicContact CD2-CD2 3.94Å; V385-L389 HydrophobicContact CG1-CD1 4.01Å; V385-L389 HydrophobicContact CG1-CG 4.36Å; V385-L389 VanDerWaalsContact O-CG 3.31Å; V385-L389 WeakPolarHBondContact O-CG 3.14Å; V385-L389 PolarHBondContact O-N 2.69Å; L386-L389 PolarHBondContact O-N 2.97Å; D387-L389 PolarHBondContact O-N 3.2Å; L389-N391 VanDerWaalsContact C-N 3.3Å; L389-N391 PolarHBondContact O-N 3.05Å; L389-L392 HydrophobicContact CD2-CD1 4.46Å; L389-L392 WeakPolarHBondContact O-CB 3.47Å; L389-L392 PolarHBondContact O-N 2.83Å; L389-V393 WeakPolarHBondContact O-CG2 3.34Å; L389-V393 PolarHBondContact O-N 2.88Å; L389-L398 HydrophobicContact CD2-CD2 4.25Å
390L98.1Very high96.7Very high0 Ų049.9 Ų49.90%026%0.261CS..Hα-helixtrans-63.6-36174.7-75.3169.8000111.9A134 A161 L163 P164 V167 A172 L175 L386 D387 V393 S394A134-L390 HydrophobicContact CB-CD1 4.3Å; A161-L390 HydrophobicContact CB-CD1 3.74Å; L163-L390 HydrophobicContact CD1-CD2 4.07Å; P164-L390 HydrophobicContact CG-CB 4.29Å; V167-L390 HydrophobicContact CG1-CD2 4.35Å; A172-L390 HydrophobicContact CB-CD2 4.02Å; L175-L390 HydrophobicContact CD2-CD2 3.78Å; L175-L390 HydrophobicContact CD2-CG 3.98Å; L386-L390 HydrophobicContact CD1-CG 4.45Å; L386-L390 HydrophobicContact CG-CD1 4.15Å; L386-L390 HydrophobicContact CG-CG 4.47Å; L386-L390 WeakPolarHBondContact O-CB 3.28Å; L386-L390 VanDerWaalsContact O-CG 3.31Å; L386-L390 WeakPolarHBondContact O-CG 3.12Å; L386-L390 PolarHBondContact O-N 3.16Å; D387-L390 PolarHBondContact O-N 2.77Å; L390-V393 PolarHBondContact O-N 2.86Å; L390-S394 WeakPolarHBondContact O-CB 3.19Å; L390-S394 PolarHBondContact O-N 2.99Å
391N98Very high96.1Very high76 Ų7645.2 Ų45.241%0.40624%0.242SC..Hα-helixtrans-66.3-37174.1-75-44.7000112D387 Y388 L389 V393 S394 S395D387-N391 WeakPolarHBondContact O-CB 3.4Å; D387-N391 PolarHBondContact O-N 2.88Å; D387-N391 PolarHBondContact O-ND2 3.48Å; D387-N391 PolarHBondContact OD2-ND2 2.99Å; Y388-N391 PolarHBondContact O-N 2.79Å; L389-N391 VanDerWaalsContact C-N 3.3Å; L389-N391 PolarHBondContact O-N 3.05Å; N391-V393 VanDerWaalsContact C-N 3.33Å; N391-S394 WeakPolarHBondContact O-CB 3.28Å; N391-S394 PolarHBondContact O-N 2.9Å; N391-S395 WeakPolarHBondContact O-CB 3.49Å; N391-S395 PolarHBondContact O-N 2.98Å; N391-S395 PolarHBondContact O-OG 3.16Å; N391-S395 VanDerWaalsContact O-OG 3.12Å
392L98.1Very high96.1Very high10 Ų1047.1 Ų47.15%0.05225%0.254CS..Hα-helixtrans-64.7-36.2171-65-176.5000112.6L221 L224 Y388 L389 S395 Q396 Q397 L398L221-L392 HydrophobicContact CD2-CD1 3.64Å; L224-L392 HydrophobicContact CD2-CD1 3.77Å; L224-L392 HydrophobicContact CD2-CD2 3.91Å; L224-L392 HydrophobicContact CD2-CG 4.48Å; Y388-L392 HydrophobicContact CD1-CD1 4.16Å; Y388-L392 HydrophobicContact CD1-CG 4.46Å; Y388-L392 HydrophobicContact CE1-CD1 3.46Å; Y388-L392 VanDerWaalsContact CE1-CD1 3.46Å; Y388-L392 HydrophobicContact CE1-CG 4.02Å; Y388-L392 PolarHBondContact O-N 3.25Å; Y388-L392 VanDerWaalsContact O-N 3.07Å; L389-L392 HydrophobicContact CD2-CD1 4.46Å; L389-L392 WeakPolarHBondContact O-CB 3.47Å; L389-L392 PolarHBondContact O-N 2.83Å; L392-S395 PolarHBondContact O-OG 2.89Å; L392-Q396 PolarHBondContact O-N 2.97Å; L392-Q397 HydrophobicContact CB-CB 4.38Å; L392-Q397 HydrophobicContact CD2-CB 4.12Å; L392-Q397 PolarHBondContact O-N 3.47Å; L392-L398 HydrophobicContact CB-CB 3.76Å; L392-L398 PolarHBondContact O-N 3.47Å
393V98.3Very high96.1Very high21 Ų2146 Ų4613%0.12725%0.247CC..Hα-helixtrans-67.4-44173.9178.30000110.6V167 L175 L389 L390 N391 S395 Q396 L398 I400V167-V393 HydrophobicContact CG1-CG1 3.96Å; V167-V393 HydrophobicContact CG2-CB 4.42Å; V167-V393 HydrophobicContact CG2-CG1 4.07Å; L175-V393 HydrophobicContact CD2-CG2 4.11Å; L389-V393 WeakPolarHBondContact O-CG2 3.34Å; L389-V393 PolarHBondContact O-N 2.88Å; L390-V393 PolarHBondContact O-N 2.86Å; N391-V393 VanDerWaalsContact C-N 3.33Å; V393-S395 VanDerWaalsContact C-N 3.32Å; V393-S395 PolarHBondContact O-N 2.93Å; V393-Q396 PolarHBondContact O-N 3.36Å; V393-L398 WeakPolarHBondContact CA-O 3.47Å; V393-L398 HydrophobicContact CG2-CB 4.19Å; V393-L398 HydrophobicContact CG2-CD2 4.08Å; V393-L398 HydrophobicContact CG2-CG 4.17Å; V393-I400 HydrophobicContact CG1-CG1 4.41Å; V393-I400 HydrophobicContact CG2-CD1 3.73Å; V393-I400 HydrophobicContact CG2-CG1 3.72Å
394S98.1Very high96.1Very high30 Ų3047 Ų4721%0.2125%0.253CS..Hα-helixtrans-59.4-41.1177.1175.30000112.4N166 L390 N391 Q396N166-S394 PolarHBondContact ND2-O 3.2Å; N166-S394 PolarHBondContact ND2-OG 3.26Å; N166-S394 PolarHBondContact OD1-OG 3.17Å; L390-S394 WeakPolarHBondContact O-CB 3.19Å; L390-S394 PolarHBondContact O-N 2.99Å; N391-S394 WeakPolarHBondContact O-CB 3.28Å; N391-S394 PolarHBondContact O-N 2.9Å; S394-Q396 PolarHBondContact O-N 3.14Å
395S98Very high96.2Very high62 Ų6244.1 Ų44.143%0.43424%0.24SC..THydrogen-bonded Turntrans-82.65.7176.967.70000113.9N391 L392 V393 Q397N391-S395 WeakPolarHBondContact O-CB 3.49Å; N391-S395 PolarHBondContact O-N 2.98Å; N391-S395 PolarHBondContact O-OG 3.16Å; N391-S395 VanDerWaalsContact O-OG 3.12Å; L392-S395 PolarHBondContact O-OG 2.89Å; V393-S395 VanDerWaalsContact C-N 3.32Å; V393-S395 PolarHBondContact O-N 2.93Å; S395-Q397 PolarHBondContact O-N 2.87Å; S395-Q397 VanDerWaalsContact O-N 3.16Å; S395-Q397 WeakPolarHBondContact OG-CG 3.43Å; S395-Q397 PolarHBondContact OG-OE1 3.3Å
396Q96.3Very high96.2Very high169 Ų16946 Ų4679%0.7925%0.246SC*.THydrogen-bonded Turntrans60.117.9-177.8-54.7178.4-11.300114.6L392 V393 S394 L398L392-Q396 PolarHBondContact O-N 2.97Å; V393-Q396 PolarHBondContact O-N 3.36Å; S394-Q396 PolarHBondContact O-N 3.14Å; Q396-L398 VanDerWaalsContact C-N 3.34Å
397Q96.4Very high96.2Very high104 Ų10449.1 Ų49.149%0.48626%0.263SS..SBendtrans-80.7-18.4173.9-68.4-179.8-42.900112.7L224 L392 S395L224-Q397 HydrophobicContact CD1-CB 4.43Å; L224-Q397 HydrophobicContact CD2-CB 4.43Å; L392-Q397 HydrophobicContact CB-CB 4.38Å; L392-Q397 HydrophobicContact CD2-CB 4.12Å; L392-Q397 PolarHBondContact O-N 3.47Å; S395-Q397 PolarHBondContact O-N 2.87Å; S395-Q397 VanDerWaalsContact O-N 3.16Å; S395-Q397 WeakPolarHBondContact OG-CG 3.43Å; S395-Q397 PolarHBondContact OG-OE1 3.3Å
398L97.1Very high96.2Very high2 Ų246.8 Ų46.81%0.0125%0.25CC..SBendtrans-130.3118.6174.2179.364000109.6L175 I217 Q220 L389 L392 V393 Q396 I400L175-L398 HydrophobicContact CD1-CD2 4.14Å; I217-L398 HydrophobicContact CG2-CD1 4.21Å; I217-L398 HydrophobicContact CG2-CD2 4.3Å; Q220-L398 HydrophobicContact CB-CD1 3.69Å; Q220-L398 HydrophobicContact CG-CD1 4.34Å; L389-L398 HydrophobicContact CD2-CD2 4.25Å; L392-L398 HydrophobicContact CB-CB 3.76Å; L392-L398 PolarHBondContact O-N 3.47Å; V393-L398 WeakPolarHBondContact CA-O 3.47Å; V393-L398 HydrophobicContact CG2-CB 4.19Å; V393-L398 HydrophobicContact CG2-CD2 4.08Å; V393-L398 HydrophobicContact CG2-CG 4.17Å; Q396-L398 VanDerWaalsContact C-N 3.34Å; L398-I400 HydrophobicContact CD2-CD1 3.92Å; L398-I400 HydrophobicContact CG-CD1 3.88Å
399V94.5Very high96.1Very high94 Ų9446.3 Ų46.357%0.5726%0.258SS*.  trans-99126.3174.6-179.30000108.9Q220 P401Q220-V399 PolarHBondContact NE2-O 2.77Å; Q220-V399 PolarHBondContact OE1-O 3.29Å; V399-P401 WeakPolarHBondContact O-CD 3.44Å
400I92.9Very high96Very high13 Ų1350.7 Ų50.77%0.06728%0.278CS..  trans-88.9114.3178.6-50.2-55.8000109.3A174 L175 I217 V393 L398 V402A174-I400 HydrophobicContact CB-CG2 3.41Å; A174-I400 VanDerWaalsContact CB-CG2 3.41Å; L175-I400 HydrophobicContact CB-CD1 4.14Å; L175-I400 HydrophobicContact CB-CG1 4.32Å; L175-I400 HydrophobicContact CD1-CD1 3.63Å; L175-I400 HydrophobicContact CG-CD1 4.32Å; I217-I400 HydrophobicContact CD1-CD1 4.46Å; I217-I400 HydrophobicContact CG1-CD1 4.46Å; V393-I400 HydrophobicContact CG1-CG1 4.41Å; V393-I400 HydrophobicContact CG2-CD1 3.73Å; V393-I400 HydrophobicContact CG2-CG1 3.72Å; L398-I400 HydrophobicContact CD2-CD1 3.92Å; L398-I400 HydrophobicContact CG-CD1 3.88Å; I400-V402 PolarHBondContact O-N 3.35Å; I400-V402 VanDerWaalsContact O-N 3.11Å
401P82.5Confident95.9Very high19 Ų1950.7 Ų50.712%0.12328%0.278CS..  trans-79.8101.9-175.632-33.8000109.8M216 V399 G425 K426M216-P401 HydrophobicContact CB-CG 3.71Å; M216-P401 HydrophobicContact CE-CB 3.23Å; M216-P401 HydrophobicContact CE-CG 3.47Å; M216-P401 VanDerWaalsContact CE-CG 3.47Å; M216-P401 HydrophobicContact CG-CG 4.08Å; M216-P401 HydrophobicContact SD-CB 3.5Å; M216-P401 WeakPolarHBondContact SD-CB 3.03Å; M216-P401 HydrophobicContact SD-CG 3.32Å; M216-P401 WeakPolarHBondContact SD-CG 3.36Å; V399-P401 WeakPolarHBondContact O-CD 3.44Å; P401-G425 CarbonylContact O-C 3.55Å; P401-G425 VanDerWaalsContact O-CA 3.28Å; P401-G425 WeakPolarHBondContact O-CA 3.33Å; P401-K426 PolarHBondContact O-N 3.15Å
402V95Very high95.8Very high48 Ų4847.7 Ų47.729%0.29126%0.263SS..EExtended strand (participates in β ladder)trans-89.3120.1171.8178.80000108.3I170 A174 I400 V405 K426 V428I170-V402 HydrophobicContact CG2-CG1 4.43Å; I170-V402 HydrophobicContact CG2-CG2 4.25Å; A174-V402 HydrophobicContact CB-CG2 3.92Å; I400-V402 PolarHBondContact O-N 3.35Å; I400-V402 VanDerWaalsContact O-N 3.11Å; V402-V405 HydrophobicContact CG1-CG2 3.76Å; V402-K426 CarbonylContact C-O 3.18Å; V402-V428 HydrophobicContact CG1-CB 4.42Å; V402-V428 HydrophobicContact CG1-CG2 3.87Å; V402-V428 HydrophobicContact CG2-CG2 4.03Å
403D95Very high95.7Very high24 Ų2450.7 Ų50.713%0.12828%0.279CS..EExtended strand (participates in β ladder)trans-77.2-47.3177.2-172.269.2000110.9K238 R417 K423 R424 K426 I427K238-D403 IonicContact NZ-OD1 3.19Å; K238-D403 PolarHBondContact NZ-OD1 3.02Å; D403-R417 IonicContact OD1-NH2 3.1Å; D403-R417 PolarHBondContact OD1-NH2 2.88Å; D403-R417 IonicContact OD2-CZ 3.31Å; D403-R417 IonicContact OD2-NE 3.14Å; D403-R417 PolarHBondContact OD2-NE 2.93Å; D403-R417 IonicContact OD2-NH2 2.83Å; D403-R417 PolarHBondContact OD2-NH2 3.16Å; D403-K423 HydrophobicContact CB-CG 4.41Å; D403-R424 WeakPolarHBondContact CA-O 3.47Å; D403-R424 WeakPolarHBondContact CB-O 3.45Å; D403-R424 PolarHBondContact OD1-N 2.83Å; D403-K426 PolarHBondContact N-O 3.34Å; D403-I427 HydrophobicContact CB-CD1 3.91Å
404T96.3Very high95.6Very high43 Ų4349.7 Ų49.726%0.26427%0.273SS..EExtended strand (participates in β ladder)trans-156.9142.9-174.6-47.50000109.4Y406 V428T404-Y406 HydrophobicContact CG2-CD2 3.93Å; T404-Y406 HydrophobicContact CG2-CE2 3.41Å; T404-Y406 VanDerWaalsContact CG2-CE2 3.41Å; T404-V428 PolarHBondContact O-N 3Å
405V97.6Very high95.5Very high67 Ų6748.5 Ų48.541%0.40626%0.264SS..EExtended strand (participates in β ladder)trans-109127.3171.4-175.10000107.7I170 V402 V428 E430I170-V405 HydrophobicContact CD1-CG1 3.86Å; I170-V405 HydrophobicContact CG2-CG2 3.86Å; V402-V405 HydrophobicContact CG1-CG2 3.76Å; V405-V428 CarbonylContact C-O 3.54Å; V405-V428 WeakPolarHBondContact CA-O 3.3Å; V405-V428 HydrophobicContact CG2-CB 4.32Å; V405-E430 HydrophobicContact CG1-CB 4.11Å
406Y97.8Very high95.2Very high47 Ų4749.3 Ų49.318%0.18426%0.264CS..EExtended strand (participates in β ladder)trans-108.2146.6174.6-72.5-96.3000109.8T404 H410 D413 A414 R417 I427 V428 I429 E430T404-Y406 HydrophobicContact CG2-CD2 3.93Å; T404-Y406 HydrophobicContact CG2-CE2 3.41Å; T404-Y406 VanDerWaalsContact CG2-CE2 3.41Å; Y406-H410 HydrophobicContact CD1-CB 4.06Å; Y406-D413 HydrophobicContact CD1-CB 4.02Å; Y406-D413 HydrophobicContact CE1-CB 3.62Å; Y406-A414 HydrophobicContact CD1-CB 4.31Å; Y406-A414 HydrophobicContact CD2-CB 3.61Å; Y406-A414 HydrophobicContact CE2-CB 4.14Å; Y406-A414 HydrophobicContact CG-CB 3.71Å; Y406-R417 HydrophobicContact CE2-CB 4.09Å; Y406-R417 HydrophobicContact CE2-CG 4.17Å; Y406-R417 WeakPolarHBondContact OH-CB 3.29Å; Y406-I427 HydrophobicContact CD2-CG2 3.79Å; Y406-I427 HydrophobicContact CE2-CG2 3.97Å; Y406-V428 PolarHBondContact N-O 3.47Å; Y406-I429 CarbonylContact O-C 3.5Å; Y406-I429 WeakPolarHBondContact O-CA 3.27Å; Y406-E430 PolarHBondContact O-N 2.85Å
407N97.1Very high95.1Very high66 Ų6643.5 Ų43.535%0.35323%0.234SC..EExtended strand (participates in β ladder)trans-68.9151.8166.4-173.7-71.5000109.7S409 H410 N432N407-S409 PolarHBondContact O-N 2.6Å; N407-S409 VanDerWaalsContact O-N 3.08Å; N407-S409 PolarHBondContact OD1-N 3.41Å; N407-S409 PolarHBondContact OD1-OG 2.69Å; N407-H410 PolarHBondContact O-N 2.87Å; N407-N432 PolarHBondContact ND2-ND2 3.13Å
408F97.1Very high94.7Very high10 Ų1039.5 Ų39.54%0.04422%0.216CC..G310 helixtrans-51.2-30.3175.9-159.9-129.8000114.5W12 F31 H410 V411 I429 E430 V431W12-F408 AromaticContact CD1-CE2 3.69Å; W12-F408 AromaticContact CD1-CZ 3.71Å; W12-F408 PolarHBondContact NE1-O 2.97Å; F31-F408 AromaticContact CE2-CD1 3.94Å; F31-F408 HydrophobicContact CE2-CD1 3.94Å; F31-F408 AromaticContact CE2-CE1 3.76Å; F31-F408 HydrophobicContact CE2-CE1 3.76Å; F408-H410 PolarHBondContact O-N 2.95Å; F408-V411 HydrophobicContact CD2-CG2 4.21Å; F408-V411 WeakPolarHBondContact O-CG2 3.4Å; F408-I429 HydrophobicContact CB-CG2 4.38Å; F408-I429 HydrophobicContact CD2-CG2 3.87Å; F408-E430 WeakPolarHBondContact CB-O 3.48Å; F408-E430 PolarHBondContact N-O 3.23Å; F408-V431 HydrophobicContact CD1-CG1 4.39Å; F408-V431 HydrophobicContact CD2-CB 4.38Å; F408-V431 HydrophobicContact CD2-CG1 4.15Å; F408-V431 HydrophobicContact CD2-CG2 3.83Å; F408-V431 HydrophobicContact CE1-CG1 4.48Å; F408-V431 HydrophobicContact CE2-CG1 4.26Å; F408-V431 HydrophobicContact CE2-CG2 4.11Å; F408-V431 HydrophobicContact CG-CG1 4.24Å; F408-V431 HydrophobicContact CZ-CG1 4.43Å
409S95.3Very high93.9Very high68 Ų6843.8 Ų43.848%0.47623%0.233SC..G310 helixtrans-70.2-16.1175.4550000114.5W12 N407W12-S409 WeakPolarHBondContact CZ2-O 3.13Å; N407-S409 PolarHBondContact O-N 2.6Å; N407-S409 VanDerWaalsContact O-N 3.08Å; N407-S409 PolarHBondContact OD1-N 3.41Å; N407-S409 PolarHBondContact OD1-OG 2.69Å
410H96.3Very high93.5Very high92 Ų9242.3 Ų42.343%0.42622%0.224SC..G310 helixtrans-113.330.9-175.2-6181.1000112.3Y406 N407 F408 D413 A414Y406-H410 HydrophobicContact CD1-CB 4.06Å; N407-H410 PolarHBondContact O-N 2.87Å; F408-H410 PolarHBondContact O-N 2.95Å; H410-D413 HydrophobicContact CB-CB 4.48Å; H410-D413 IonicContact CD2-OD2 2.64Å; H410-D413 PolarHBondContact CD2-OD2 3.49Å; H410-D413 IonicContact CG-OD2 2.81Å; H410-D413 PolarHBondContact O-N 3.33Å; H410-A414 PolarHBondContact O-N 3.16Å; H410-A414 VanDerWaalsContact O-N 3.15Å
411V97.2Very high92.9Very high0 Ų051.4 Ų51.40%026%0.263CS..Hα-helixtrans-55.8-41.8175.3163.30000112.9W12 L29 L149 F408 D413 A414 F415 I429W12-V411 HydrophobicContact CB-CG1 4.42Å; W12-V411 HydrophobicContact CD2-CB 3.88Å; W12-V411 HydrophobicContact CD2-CG1 4.06Å; W12-V411 HydrophobicContact CD2-CG2 4.41Å; W12-V411 HydrophobicContact CG-CB 4.01Å; W12-V411 HydrophobicContact CG-CG1 3.97Å; W12-V411 HydrophobicContact CG-CG2 4.13Å; W12-V411 HydrophobicContact CZ2-CB 4.07Å; L29-V411 HydrophobicContact CD2-CG1 4Å; L149-V411 HydrophobicContact CD1-CG1 3.82Å; F408-V411 HydrophobicContact CD2-CG2 4.21Å; F408-V411 WeakPolarHBondContact O-CG2 3.4Å; V411-D413 VanDerWaalsContact C-N 3.3Å; V411-D413 PolarHBondContact O-N 2.98Å; V411-A414 VanDerWaalsContact O-CB 3.3Å; V411-A414 WeakPolarHBondContact O-CB 3.42Å; V411-A414 PolarHBondContact O-N 3.04Å; V411-A414 VanDerWaalsContact O-N 3.09Å; V411-F415 HydrophobicContact CG1-CD2 3.77Å; V411-F415 HydrophobicContact CG1-CE2 3.65Å; V411-F415 WeakPolarHBondContact O-CD2 3.2Å; V411-F415 PolarHBondContact O-N 2.67Å; V411-I429 HydrophobicContact CG2-CG1 4.23Å; V411-I429 HydrophobicContact CG2-CG2 3.85Å
412P95.9Very high93.1Very high13 Ų1352 Ų528%0.08427%0.273CS..Hα-helixtrans-56.9-41.7176.4-28.637.3000113.3W12 I25 T26 A414 F415 N416W12-P412 HydrophobicContact CE3-CG 4.44Å; W12-P412 HydrophobicContact CH2-CG 3.48Å; W12-P412 VanDerWaalsContact CH2-CG 3.48Å; W12-P412 HydrophobicContact CZ2-CG 4.32Å; W12-P412 HydrophobicContact CZ3-CG 3.56Å; I25-P412 HydrophobicContact CG2-CB 3.96Å; T26-P412 HydrophobicContact CG2-CB 3.63Å; T26-P412 HydrophobicContact CG2-CG 3.73Å; P412-A414 VanDerWaalsContact C-N 3.31Å; P412-A414 PolarHBondContact O-N 3.49Å; P412-F415 WeakPolarHBondContact O-CB 3.4Å; P412-F415 PolarHBondContact O-N 3.2Å; P412-N416 PolarHBondContact O-N 2.94Å
413D95.6Very high92.9Very high73 Ų7351.3 Ų51.339%0.3927%0.266SS..Hα-helixtrans-65.6-36.5176.6-60.1-36000111.9Y406 H410 V411 F415 N416 R417Y406-D413 HydrophobicContact CD1-CB 4.02Å; Y406-D413 HydrophobicContact CE1-CB 3.62Å; H410-D413 HydrophobicContact CB-CB 4.48Å; H410-D413 IonicContact CD2-OD2 2.64Å; H410-D413 PolarHBondContact CD2-OD2 3.49Å; H410-D413 IonicContact CG-OD2 2.81Å; H410-D413 PolarHBondContact O-N 3.33Å; V411-D413 VanDerWaalsContact C-N 3.3Å; V411-D413 PolarHBondContact O-N 2.98Å; D413-F415 VanDerWaalsContact C-N 3.32Å; D413-F415 PolarHBondContact O-N 3.43Å; D413-N416 PolarHBondContact O-N 2.83Å; D413-R417 WeakPolarHBondContact O-CB 3.37Å; D413-R417 PolarHBondContact O-N 3.19Å
414A96.4Very high92.7Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-62.1-38.7174.100000112L55 Y406 H410 V411 P412 R417 L418 I427 I429L55-A414 HydrophobicContact CD1-CB 3.73Å; Y406-A414 HydrophobicContact CD1-CB 4.31Å; Y406-A414 HydrophobicContact CD2-CB 3.61Å; Y406-A414 HydrophobicContact CE2-CB 4.14Å; Y406-A414 HydrophobicContact CG-CB 3.71Å; H410-A414 PolarHBondContact O-N 3.16Å; H410-A414 VanDerWaalsContact O-N 3.15Å; V411-A414 VanDerWaalsContact O-CB 3.3Å; V411-A414 WeakPolarHBondContact O-CB 3.42Å; V411-A414 PolarHBondContact O-N 3.04Å; V411-A414 VanDerWaalsContact O-N 3.09Å; P412-A414 VanDerWaalsContact C-N 3.31Å; P412-A414 PolarHBondContact O-N 3.49Å; A414-R417 PolarHBondContact O-N 2.84Å; A414-L418 PolarHBondContact O-N 2.79Å; A414-I427 HydrophobicContact CB-CG2 3.79Å; A414-I429 HydrophobicContact CB-CG1 4.43Å
415F94.9Very high92.5Very high5 Ų549 Ų492%0.02225%0.251CS..Hα-helixtrans-65.4-44.2172.6-87.1-86.8000111.8I25 L29 L55 D59 V63 P101 L149 V411 P412 D413 R417 L418I25-F415 HydrophobicContact CD1-CB 3.74Å; I25-F415 HydrophobicContact CD1-CD1 3.51Å; I25-F415 HydrophobicContact CD1-CD2 3.86Å; I25-F415 HydrophobicContact CD1-CE1 3.99Å; I25-F415 HydrophobicContact CD1-CE2 4.31Å; I25-F415 HydrophobicContact CD1-CG 3.44Å; I25-F415 VanDerWaalsContact CD1-CG 3.44Å; I25-F415 HydrophobicContact CD1-CZ 4.37Å; I25-F415 HydrophobicContact CG2-CB 4.48Å; L29-F415 HydrophobicContact CD2-CD2 3.85Å; L29-F415 HydrophobicContact CD2-CE2 3.7Å; L29-F415 HydrophobicContact CD2-CZ 4.49Å; L55-F415 HydrophobicContact CD1-CD1 4.34Å; L55-F415 HydrophobicContact CD1-CD2 3.89Å; L55-F415 HydrophobicContact CD1-CE2 4.15Å; L55-F415 HydrophobicContact CD1-CG 3.98Å; L55-F415 HydrophobicContact CD1-CZ 4.49Å; L55-F415 HydrophobicContact CD2-CD2 4.47Å; L55-F415 HydrophobicContact CD2-CE1 4.34Å; L55-F415 HydrophobicContact CD2-CE2 3.9Å; L55-F415 HydrophobicContact CD2-CZ 3.82Å; D59-F415 HydrophobicContact CB-CE1 4.28Å; D59-F415 HydrophobicContact CB-CZ 4.49Å; V63-F415 HydrophobicContact CG1-CE1 4.19Å; V63-F415 HydrophobicContact CG1-CZ 4.25Å; P101-F415 HydrophobicContact CB-CZ 4.06Å; P101-F415 HydrophobicContact CG-CZ 4.41Å; L149-F415 HydrophobicContact CD1-CE2 3.67Å; L149-F415 HydrophobicContact CD1-CZ 4.01Å; V411-F415 HydrophobicContact CG1-CD2 3.77Å; V411-F415 HydrophobicContact CG1-CE2 3.65Å; V411-F415 WeakPolarHBondContact O-CD2 3.2Å; V411-F415 PolarHBondContact O-N 2.67Å; P412-F415 WeakPolarHBondContact O-CB 3.4Å; P412-F415 PolarHBondContact O-N 3.2Å; D413-F415 VanDerWaalsContact C-N 3.32Å; D413-F415 PolarHBondContact O-N 3.43Å; F415-R417 VanDerWaalsContact C-N 3.3Å; F415-R417 PolarHBondContact O-N 2.76Å; F415-L418 HydrophobicContact CD1-CD1 4.17Å; F415-L418 VanDerWaalsContact O-CB 3.29Å; F415-L418 WeakPolarHBondContact O-CB 3.49Å; F415-L418 PolarHBondContact O-N 3.28Å; F415-L418 VanDerWaalsContact O-N 3.14Å
416N92.4Very high92.5Very high79 Ų7946 Ų4642%0.42223%0.232SC..Hα-helixtrans-58.9-43.1176.1-69.9-24.4000111.2P412 D413 L418 Y419 T420P412-N416 PolarHBondContact O-N 2.94Å; D413-N416 PolarHBondContact O-N 2.83Å; N416-L418 PolarHBondContact O-N 3.35Å; N416-L418 VanDerWaalsContact O-N 3.16Å; N416-Y419 PolarHBondContact O-N 3.17Å; N416-T420 PolarHBondContact O-N 2.79Å
417R93.4Very high92.5Very high47 Ų4743.7 Ų43.718%0.17722%0.224CC..Hα-helixtrans-60-26.7178.7-176.265.2-168.2143.9-9.2113.4D403 Y406 D413 A414 F415 Y419 T420 K421 G422 I427D403-R417 IonicContact OD1-NH2 3.1Å; D403-R417 PolarHBondContact OD1-NH2 2.88Å; D403-R417 IonicContact OD2-CZ 3.31Å; D403-R417 IonicContact OD2-NE 3.14Å; D403-R417 PolarHBondContact OD2-NE 2.93Å; D403-R417 IonicContact OD2-NH2 2.83Å; D403-R417 PolarHBondContact OD2-NH2 3.16Å; Y406-R417 HydrophobicContact CE2-CB 4.09Å; Y406-R417 HydrophobicContact CE2-CG 4.17Å; Y406-R417 WeakPolarHBondContact OH-CB 3.29Å; D413-R417 WeakPolarHBondContact O-CB 3.37Å; D413-R417 PolarHBondContact O-N 3.19Å; A414-R417 PolarHBondContact O-N 2.84Å; F415-R417 VanDerWaalsContact C-N 3.3Å; F415-R417 PolarHBondContact O-N 2.76Å; R417-Y419 PolarHBondContact O-N 3.37Å; R417-T420 WeakPolarHBondContact CD-OG1 3.35Å; R417-T420 PolarHBondContact NH1-OG1 3.27Å; R417-T420 PolarHBondContact O-N 2.75Å; R417-T420 PolarHBondContact O-OG1 2.95Å; R417-K421 PolarHBondContact NH1-O 3.36Å; R417-G422 PolarHBondContact NH2-O 3.05Å; R417-I427 HydrophobicContact CB-CD1 4.28Å; R417-I427 HydrophobicContact CG-CD1 3.45Å; R417-I427 VanDerWaalsContact CG-CD1 3.45Å; R417-I427 HydrophobicContact CG-CG1 4.25Å
418L89.1Confident92.5Very high19 Ų1940.6 Ų40.610%0.09921%0.207CC..THydrogen-bonded Turntrans-56.9-32.7177.4-72.4172.5000113.4L55 A414 F415 N416 I427L55-L418 HydrophobicContact CB-CD1 3.96Å; L55-L418 HydrophobicContact CB-CD2 3.95Å; L55-L418 HydrophobicContact CB-CG 4.26Å; L55-L418 HydrophobicContact CD1-CD1 4.06Å; L55-L418 HydrophobicContact CD1-CG 4.34Å; A414-L418 PolarHBondContact O-N 2.79Å; F415-L418 HydrophobicContact CD1-CD1 4.17Å; F415-L418 VanDerWaalsContact O-CB 3.29Å; F415-L418 WeakPolarHBondContact O-CB 3.49Å; F415-L418 PolarHBondContact O-N 3.28Å; F415-L418 VanDerWaalsContact O-N 3.14Å; N416-L418 PolarHBondContact O-N 3.35Å; N416-L418 VanDerWaalsContact O-N 3.16Å; L418-I427 HydrophobicContact CD2-CB 4.44Å; L418-I427 HydrophobicContact CD2-CG1 4.04Å
419Y80.2Confident92.6Very high92 Ų9240.1 Ų40.136%0.36121%0.205SC..THydrogen-bonded Turntrans-107.7-11.6-173.2-62.3-78.1000114S60 N416 R417S60-Y419 WeakPolarHBondContact CB-OH 3.42Å; S60-Y419 VanDerWaalsContact OG-CZ 3.24Å; S60-Y419 PolarHBondContact OG-OH 2.95Å; N416-Y419 PolarHBondContact O-N 3.17Å; R417-Y419 PolarHBondContact O-N 3.37Å
420T84.9Confident92.7Very high63 Ų6340.4 Ų40.439%0.38720%0.199SC..SBendtrans-62.3140174.656.90000111.8N416 R417N416-T420 PolarHBondContact O-N 2.79Å; R417-T420 WeakPolarHBondContact CD-OG1 3.35Å; R417-T420 PolarHBondContact NH1-OG1 3.27Å; R417-T420 PolarHBondContact O-N 2.75Å; R417-T420 PolarHBondContact O-OG1 2.95Å
421K81.8Confident92.7Very high205 Ų20536.1 Ų36.189%0.89118%0.179SC*.THydrogen-bonded Turntrans-57.5147.7172.3-71.4-175.1178.8178.60110.3R417 K423R417-K421 PolarHBondContact NH1-O 3.36Å; K421-K423 PolarHBondContact O-N 2.97Å
422G84.9Confident91.8Very high32 Ų3239.4 Ų39.433%0.3320%0.196SC..THydrogen-bonded Turntrans81.90.6176.700000116.2R417 R424R417-G422 PolarHBondContact NH2-O 3.05Å; G422-R424 PolarHBondContact O-N 2.88Å
423K91.7Very high90.2Very high32 Ų3240.5 Ų40.514%0.13920%0.201CC..  trans-60.5131.1168.7-177-144.2161.3176.30111.2D403 K421 G425 I427D403-K423 HydrophobicContact CB-CG 4.41Å; K421-K423 PolarHBondContact O-N 2.97Å; K423-G425 WeakPolarHBondContact CE-O 3.37Å; K423-G425 PolarHBondContact NZ-O 3.22Å; K423-I427 HydrophobicContact CG-CD1 4.3Å
424R91.1Very high88Confident17 Ų1749.3 Ų49.36%0.06424%0.24CC..  trans-132110.2178.3-58.2-64.6173.9-104.13.1111.7T211 D236 K238 L242 D403 G422T211-R424 VanDerWaalsContact CB-CD 3.46Å; D236-R424 IonicContact OD1-CZ 3.78Å; D236-R424 IonicContact OD1-NE 3.04Å; D236-R424 IonicContact OD1-NH2 3.2Å; D236-R424 PolarHBondContact OD1-NH2 3.17Å; D236-R424 IonicContact OD2-CZ 2.88Å; D236-R424 IonicContact OD2-NH2 3.97Å; D236-R424 PolarHBondContact OD2-NH2 3.37Å; K238-R424 HydrophobicContact CD-CB 4.47Å; K238-R424 HydrophobicContact CD-CG 3.67Å; K238-R424 HydrophobicContact CG-CG 3.98Å; L242-R424 HydrophobicContact CD1-CB 3.56Å; L242-R424 HydrophobicContact CD1-CG 3.8Å; D403-R424 WeakPolarHBondContact CA-O 3.47Å; D403-R424 WeakPolarHBondContact CB-O 3.45Å; D403-R424 PolarHBondContact OD1-N 2.83Å; G422-R424 PolarHBondContact O-N 2.88Å
425G92.5Very high87.6Confident1 Ų151.8 Ų51.81%0.0125%0.252CS..BIsolated β-bridgetrans93.1-136.9-179.600000114.2T211 P401 K423T211-G425 PolarHBondContact O-N 3.04Å; P401-G425 CarbonylContact O-C 3.55Å; P401-G425 VanDerWaalsContact O-CA 3.28Å; P401-G425 WeakPolarHBondContact O-CA 3.33Å; K423-G425 WeakPolarHBondContact CE-O 3.37Å; K423-G425 PolarHBondContact NZ-O 3.22Å
426K96.4Very high87.2Confident4 Ų454.3 Ų54.32%0.01727%0.265CS..EExtended strand (participates in β ladder)trans-109.4142.5-166.8-68.8-73.5-71.91600112.2S54 L55 N56 D104 A174 A178 P401 V402 D403S54-K426 VanDerWaalsContact OG-CE 3.24Å; S54-K426 WeakPolarHBondContact OG-CE 3.25Å; S54-K426 PolarHBondContact OG-NZ 2.95Å; L55-K426 PolarHBondContact O-NZ 3.32Å; N56-K426 VanDerWaalsContact CG-NZ 3.31Å; N56-K426 PolarHBondContact OD1-NZ 3.32Å; D104-K426 IonicContact OD2-NZ 2.87Å; D104-K426 PolarHBondContact OD2-NZ 3.47Å; A174-K426 HydrophobicContact CB-CB 3.77Å; A174-K426 HydrophobicContact CB-CG 4.09Å; A174-K426 WeakPolarHBondContact O-CE 3.27Å; A174-K426 WeakPolarHBondContact O-CG 3.19Å; A178-K426 HydrophobicContact CB-CD 4.04Å; P401-K426 PolarHBondContact O-N 3.15Å; V402-K426 CarbonylContact C-O 3.18Å; D403-K426 PolarHBondContact N-O 3.34Å
427I97.5Very high86.9Confident0 Ų052.9 Ų52.90%026%0.256CS..EExtended strand (participates in β ladder)trans-99.6121.6171.5-57.6-59.4000107.4S54 L55 D403 Y406 A414 R417 L418 K423S54-I427 VanDerWaalsContact CA-O 3.29Å; S54-I427 WeakPolarHBondContact CA-O 3.37Å; S54-I427 VanDerWaalsContact CB-O 3.26Å; S54-I427 WeakPolarHBondContact CB-O 3.44Å; L55-I427 HydrophobicContact CB-CB 4.48Å; L55-I427 HydrophobicContact CD1-CG2 4.46Å; L55-I427 PolarHBondContact N-O 3.32Å; D403-I427 HydrophobicContact CB-CD1 3.91Å; Y406-I427 HydrophobicContact CD2-CG2 3.79Å; Y406-I427 HydrophobicContact CE2-CG2 3.97Å; A414-I427 HydrophobicContact CB-CG2 3.79Å; R417-I427 HydrophobicContact CB-CD1 4.28Å; R417-I427 HydrophobicContact CG-CD1 3.45Å; R417-I427 VanDerWaalsContact CG-CD1 3.45Å; R417-I427 HydrophobicContact CG-CG1 4.25Å; L418-I427 HydrophobicContact CD2-CB 4.44Å; L418-I427 HydrophobicContact CD2-CG1 4.04Å; K423-I427 HydrophobicContact CG-CD1 4.3Å
428V98.2Very high86.5Confident0 Ų053.2 Ų53.20%026%0.26CS..EExtended strand (participates in β ladder)trans-109.7143.2-178.6-177.60000108.8A52 A53 I170 A174 V402 T404 V405 Y406A52-V428 HydrophobicContact CB-CG1 4.11Å; A53-V428 CarbonylContact O-C 3.27Å; A53-V428 WeakPolarHBondContact O-CA 3.49Å; A53-V428 VanDerWaalsContact O-CG1 3.26Å; A53-V428 WeakPolarHBondContact O-CG1 3.32Å; I170-V428 HydrophobicContact CB-CG1 4.38Å; I170-V428 HydrophobicContact CD1-CG1 3.63Å; I170-V428 HydrophobicContact CG2-CB 4.28Å; I170-V428 HydrophobicContact CG2-CG1 3.98Å; I170-V428 HydrophobicContact CG2-CG2 4.22Å; A174-V428 HydrophobicContact CB-CG2 3.74Å; V402-V428 HydrophobicContact CG1-CB 4.42Å; V402-V428 HydrophobicContact CG1-CG2 3.87Å; V402-V428 HydrophobicContact CG2-CG2 4.03Å; T404-V428 PolarHBondContact O-N 3Å; V405-V428 CarbonylContact C-O 3.54Å; V405-V428 WeakPolarHBondContact CA-O 3.3Å; V405-V428 HydrophobicContact CG2-CB 4.32Å; Y406-V428 PolarHBondContact N-O 3.47Å
429I98.5Very high86.3Confident0 Ų055.4 Ų55.40%027%0.27CS..EExtended strand (participates in β ladder)trans-109.5122.7169.1-49.796.3000107.9A52 A53 L55 L149 Y406 F408 V411 A414A52-I429 CarbonylContact C-O 3.53Å; A52-I429 VanDerWaalsContact CA-O 3.23Å; A52-I429 WeakPolarHBondContact CA-O 3.37Å; A53-I429 HydrophobicContact CB-CD1 4.29Å; A53-I429 PolarHBondContact N-O 3.49Å; A53-I429 PolarHBondContact O-N 3.45Å; L55-I429 HydrophobicContact CD1-CD1 4.38Å; L55-I429 HydrophobicContact CD2-CD1 3.85Å; L55-I429 HydrophobicContact CG-CD1 3.62Å; L149-I429 HydrophobicContact CD2-CD1 3.51Å; L149-I429 HydrophobicContact CD2-CG1 4.16Å; Y406-I429 CarbonylContact O-C 3.5Å; Y406-I429 WeakPolarHBondContact O-CA 3.27Å; F408-I429 HydrophobicContact CB-CG2 4.38Å; F408-I429 HydrophobicContact CD2-CG2 3.87Å; V411-I429 HydrophobicContact CG2-CG1 4.23Å; V411-I429 HydrophobicContact CG2-CG2 3.85Å; A414-I429 HydrophobicContact CB-CG1 4.43Å
430E98Very high86.7Confident75 Ų7552.9 Ų52.935%0.3526%0.264SS..EExtended strand (participates in β ladder)trans-82118.6169.3-170.5176.8-116.300109.3I170 V405 Y406 F408 N432I170-E430 HydrophobicContact CD1-CB 4.13Å; I170-E430 HydrophobicContact CD1-CG 4.35Å; V405-E430 HydrophobicContact CG1-CB 4.11Å; Y406-E430 PolarHBondContact O-N 2.85Å; F408-E430 WeakPolarHBondContact CB-O 3.48Å; F408-E430 PolarHBondContact N-O 3.23Å; E430-N432 WeakPolarHBondContact CG-OD1 3.5Å; E430-N432 PolarHBondContact O-N 3.08Å; E430-N432 PolarHBondContact OE2-ND2 3.13Å; E430-N432 PolarHBondContact OE2-OD1 3.21Å
431V96.8Very high86.9Confident1 Ų152.2 Ų52.21%0.00626%0.256CS..  trans-94.382.9-178.3-172.70000108V50 K51 A53 E151 F408 N433V50-V431 HydrophobicContact CB-CG1 4.47Å; V50-V431 HydrophobicContact CG1-CB 4.11Å; V50-V431 HydrophobicContact CG1-CG2 3.73Å; K51-V431 PolarHBondContact O-N 3.16Å; A53-V431 HydrophobicContact CB-CG2 4.44Å; E151-V431 HydrophobicContact CG-CG1 4.45Å; F408-V431 HydrophobicContact CD1-CG1 4.39Å; F408-V431 HydrophobicContact CD2-CB 4.38Å; F408-V431 HydrophobicContact CD2-CG1 4.15Å; F408-V431 HydrophobicContact CD2-CG2 3.83Å; F408-V431 HydrophobicContact CE1-CG1 4.48Å; F408-V431 HydrophobicContact CE2-CG1 4.26Å; F408-V431 HydrophobicContact CE2-CG2 4.11Å; F408-V431 HydrophobicContact CG-CG1 4.24Å; F408-V431 HydrophobicContact CZ-CG1 4.43Å; V431-N433 PolarHBondContact O-N 2.97Å; V431-N433 PolarHBondContact O-ND2 3.21Å; V431-N433 VanDerWaalsContact O-ND2 3.09Å
432N78.7Confident87.3Confident70 Ų7040.5 Ų40.537%0.37421%0.207SC..  trans-73.5122.4177.4-73-32.1000109.8N407 E430N407-N432 PolarHBondContact ND2-ND2 3.13Å; E430-N432 WeakPolarHBondContact CG-OD1 3.5Å; E430-N432 PolarHBondContact O-N 3.08Å; E430-N432 PolarHBondContact OE2-ND2 3.13Å; E430-N432 PolarHBondContact OE2-OD1 3.21Å
433N62.5Low87.5Confident35 Ų3541.2 Ų41.219%0.18720%0.197CC..  trans-107.978.1176-60.7-99.7000106.2K49 V50 E151 V431K49-N433 VanDerWaalsContact CE-OD1 3.31Å; K49-N433 WeakPolarHBondContact CE-OD1 3.46Å; V50-N433 PolarHBondContact O-ND2 2.95Å; E151-N433 WeakPolarHBondContact CB-OD1 3.46Å; E151-N433 WeakPolarHBondContact CG-OD1 3.21Å; V431-N433 PolarHBondContact O-N 2.97Å; V431-N433 PolarHBondContact O-ND2 3.21Å; V431-N433 VanDerWaalsContact O-ND2 3.09Å
434E47.8Very low87.1Confident259 Ų25942 Ų42100%1.2120%0.202SC*.  trans-62.90170.2-72.5-175.8177.100111

Retrieved 434 of 434 residues in 139.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).