A0A3Q0KJ19_SCHMA Loading...

Serpin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KJ19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.7Low55.9Low141 Ų14182.4 Ų82.470%0.69543%0.431SS*.  0126.40175.9175.8-179.400106.3
2C56.7Low57.1Low51 Ų5176.1 Ų76.135%0.34540%0.399SS..  trans-78.5132.8173.2-62.60000109.6E9 Y10C2-E9 HydrophobicContact CB-CB 3.57Å; C2-E9 HydrophobicContact CB-CG 3.81Å; C2-Y10 CarbonylContact C-O 3.55Å; C2-Y10 VanDerWaalsContact CA-O 3.23Å; C2-Y10 WeakPolarHBondContact CA-O 3.24Å
3I56Low58.6Low29 Ų2972.5 Ų72.515%0.14938%0.38CS..EExtended strand (participates in β ladder)trans-85.7124.2172.5-38.9-176.4000107.3Y10 P12 W86 L87 T91I3-Y10 PolarHBondContact N-O 2.77Å; I3-Y10 WeakPolarHBondContact O-CD2 3.45Å; I3-Y10 PolarHBondContact O-N 3.41Å; I3-P12 HydrophobicContact CD1-CG 3.58Å; I3-P12 HydrophobicContact CG1-CG 3.97Å; I3-W86 HydrophobicContact CB-CH2 4.48Å; I3-W86 HydrophobicContact CB-CZ3 4.08Å; I3-W86 HydrophobicContact CG2-CE3 4.38Å; I3-W86 HydrophobicContact CG2-CH2 3.4Å; I3-W86 VanDerWaalsContact CG2-CH2 3.4Å; I3-W86 HydrophobicContact CG2-CZ3 3.19Å; I3-L87 HydrophobicContact CD1-CD1 3.81Å; I3-T91 WeakPolarHBondContact CD1-OG1 3.5Å
4R46.8Very low60.1Low154 Ų15475.4 Ų75.458%0.58139%0.385SS*.EExtended strand (participates in β ladder)trans-97.9111.5-169.6-166.4174.4178.7175.74112.1H8 E9 W86R4-H8 CarbonylContact C-O 3.59Å; R4-H8 VanDerWaalsContact CA-O 3.22Å; R4-H8 WeakPolarHBondContact CA-O 3.29Å; R4-E9 HydrophobicContact CB-CG 4.17Å; R4-E9 HydrophobicContact CG-CG 4Å; R4-W86 WeakPolarHBondContact O-CH2 3.37Å; R4-W86 WeakPolarHBondContact O-CZ2 2.88Å
5I48.1Very low61.9Low16 Ų1670.5 Ų70.58%0.08236%0.359CS..EExtended strand (participates in β ladder)trans-103.6110.7173.3-39.8179.9000108.8N7 H8 Y10 D83 W86 L87I5-N7 PolarHBondContact O-N 3.31Å; I5-H8 PolarHBondContact N-O 2.6Å; I5-H8 PolarHBondContact O-N 3.27Å; I5-Y10 HydrophobicContact CB-CD2 4.07Å; I5-Y10 HydrophobicContact CB-CE2 3.55Å; I5-Y10 HydrophobicContact CD1-CD2 3.57Å; I5-Y10 HydrophobicContact CD1-CE2 3.46Å; I5-Y10 VanDerWaalsContact CD1-CE2 3.46Å; I5-Y10 HydrophobicContact CD1-CG 4.36Å; I5-Y10 HydrophobicContact CG1-CD2 3.44Å; I5-Y10 VanDerWaalsContact CG1-CD2 3.44Å; I5-Y10 HydrophobicContact CG1-CE2 3.38Å; I5-D83 HydrophobicContact CD1-CB 4.18Å; I5-D83 WeakPolarHBondContact CG2-OD1 3.49Å; I5-W86 HydrophobicContact CB-CE3 4.32Å; I5-W86 HydrophobicContact CB-CZ3 4.39Å; I5-W86 HydrophobicContact CD1-CD2 4.34Å; I5-W86 HydrophobicContact CD1-CE3 3.57Å; I5-W86 HydrophobicContact CD1-CZ3 3.99Å; I5-W86 HydrophobicContact CG1-CD2 3.96Å; I5-W86 HydrophobicContact CG1-CE3 3.28Å; I5-W86 HydrophobicContact CG1-CH2 4.08Å; I5-W86 HydrophobicContact CG1-CZ3 3.32Å; I5-W86 HydrophobicContact CG2-CD2 4.25Å; I5-W86 HydrophobicContact CG2-CE3 4.4Å; I5-W86 HydrophobicContact CG2-CG 4.32Å; I5-L87 HydrophobicContact CD1-CB 4.23Å
6G55.9Low63.4Low62 Ų6266.2 Ų66.264%0.63934%0.338SS*.THydrogen-bonded Turntrans55.7-113.7-174.500000111.6
7N45.9Very low64.6Low146 Ų14664.6 Ų64.678%0.78133%0.328SS*.THydrogen-bonded Turntrans-94-3.3177.9-70.7-27.1000114.2I5I5-N7 PolarHBondContact O-N 3.31Å
8H54.3Low65.9Low97 Ų9762.3 Ų62.345%0.44932%0.319SS..EExtended strand (participates in β ladder)trans-105.7139.7-173.3-63.6-72.2000111.7R4 I5 Y10R4-H8 CarbonylContact C-O 3.59Å; R4-H8 VanDerWaalsContact CA-O 3.22Å; R4-H8 WeakPolarHBondContact CA-O 3.29Å; I5-H8 PolarHBondContact N-O 2.6Å; I5-H8 PolarHBondContact O-N 3.27Å; H8-Y10 HydrophobicContact CB-CD2 4.31Å; H8-Y10 HydrophobicContact CB-CE1 4.45Å; H8-Y10 HydrophobicContact CB-CE2 3.41Å; H8-Y10 VanDerWaalsContact CB-CE2 3.41Å; H8-Y10 WeakPolarHBondContact CB-OH 3.35Å
9E62.1Low67.2Low126 Ų12659.1 Ų59.159%0.58930%0.303SS*.EExtended strand (participates in β ladder)trans-108.3121.6176.6-91.5-175.7-160.600108.9C2 R4C2-E9 HydrophobicContact CB-CB 3.57Å; C2-E9 HydrophobicContact CB-CG 3.81Å; R4-E9 HydrophobicContact CB-CG 4.17Å; R4-E9 HydrophobicContact CG-CG 4Å
10Y67.4Low68.4Low15 Ų1556.2 Ų56.26%0.05929%0.288CS..EExtended strand (participates in β ladder)trans-111.7125.6-175.9-62.2-83.1000110.1C2 I3 I5 H8 P12 L64C2-Y10 CarbonylContact C-O 3.55Å; C2-Y10 VanDerWaalsContact CA-O 3.23Å; C2-Y10 WeakPolarHBondContact CA-O 3.24Å; I3-Y10 PolarHBondContact N-O 2.77Å; I3-Y10 WeakPolarHBondContact O-CD2 3.45Å; I3-Y10 PolarHBondContact O-N 3.41Å; I5-Y10 HydrophobicContact CB-CD2 4.07Å; I5-Y10 HydrophobicContact CB-CE2 3.55Å; I5-Y10 HydrophobicContact CD1-CD2 3.57Å; I5-Y10 HydrophobicContact CD1-CE2 3.46Å; I5-Y10 VanDerWaalsContact CD1-CE2 3.46Å; I5-Y10 HydrophobicContact CD1-CG 4.36Å; I5-Y10 HydrophobicContact CG1-CD2 3.44Å; I5-Y10 VanDerWaalsContact CG1-CD2 3.44Å; I5-Y10 HydrophobicContact CG1-CE2 3.38Å; H8-Y10 HydrophobicContact CB-CD2 4.31Å; H8-Y10 HydrophobicContact CB-CE1 4.45Å; H8-Y10 HydrophobicContact CB-CE2 3.41Å; H8-Y10 VanDerWaalsContact CB-CE2 3.41Å; H8-Y10 WeakPolarHBondContact CB-OH 3.35Å; Y10-P12 WeakPolarHBondContact O-CD 3.44Å; Y10-L64 HydrophobicContact CD1-CB 3.94Å; Y10-L64 HydrophobicContact CD1-CD2 4.21Å; Y10-L64 WeakPolarHBondContact CD1-O 3.44Å; Y10-L64 HydrophobicContact CE1-CB 3.69Å; Y10-L64 HydrophobicContact CE1-CD2 4.16Å; Y10-L64 HydrophobicContact CE1-CG 4.34Å
11D70.6Confident69.5Low69 Ų6955.7 Ų55.737%0.36929%0.286SS..  trans-100.4110.7175.1-170.7-3.3000110.1N13 Y14D11-N13 PolarHBondContact O-N 3.35Å; D11-N13 VanDerWaalsContact OD1-CB 3.26Å; D11-N13 WeakPolarHBondContact OD1-CB 3.44Å; D11-N13 PolarHBondContact OD1-N 3.35Å; D11-N13 PolarHBondContact OD1-ND2 2.9Å; D11-Y14 WeakPolarHBondContact O-CB 3.46Å; D11-Y14 PolarHBondContact O-N 2.72Å
12P70.6Confident71.4Confident7 Ų750.6 Ų50.65%0.04526%0.26CS..THydrogen-bonded Turntrans-58.2-18.4174.7-20.931.8000112.9I3 Y10 Y14 F15 T16 L389I3-P12 HydrophobicContact CD1-CG 3.58Å; I3-P12 HydrophobicContact CG1-CG 3.97Å; Y10-P12 WeakPolarHBondContact O-CD 3.44Å; P12-Y14 PolarHBondContact O-N 3.33Å; P12-F15 PolarHBondContact O-N 3.07Å; P12-T16 VanDerWaalsContact O-CG2 3.28Å; P12-T16 WeakPolarHBondContact O-CG2 3.42Å; P12-T16 PolarHBondContact O-N 2.92Å; P12-T16 PolarHBondContact O-OG1 2.99Å; P12-L389 HydrophobicContact CB-CD1 4.02Å; P12-L389 HydrophobicContact CB-CD2 4.01Å; P12-L389 HydrophobicContact CG-CD1 4.35Å
13N76.2Confident72.9Confident29 Ų2948.1 Ų48.116%0.15524%0.244CC..Hα-helixtrans-57.6-28.3173.4-77.8-67.4000113.2D11 T16 Q17 N388 L389D11-N13 PolarHBondContact O-N 3.35Å; D11-N13 VanDerWaalsContact OD1-CB 3.26Å; D11-N13 WeakPolarHBondContact OD1-CB 3.44Å; D11-N13 PolarHBondContact OD1-N 3.35Å; D11-N13 PolarHBondContact OD1-ND2 2.9Å; N13-T16 WeakPolarHBondContact CA-OG1 3.4Å; N13-T16 PolarHBondContact O-OG1 2.96Å; N13-Q17 HydrophobicContact CB-CG 4.49Å; N13-Q17 VanDerWaalsContact O-CB 3.24Å; N13-Q17 WeakPolarHBondContact O-CB 3.43Å; N13-Q17 VanDerWaalsContact O-CG 3.25Å; N13-Q17 WeakPolarHBondContact O-CG 3.31Å; N13-Q17 PolarHBondContact O-N 2.85Å; N13-N388 PolarHBondContact ND2-O 3.22Å; N13-N388 PolarHBondContact OD1-O 2.95Å; N13-L389 HydrophobicContact CB-CD2 4.48Å; N13-L389 WeakPolarHBondContact OD1-CD2 3.43Å
14Y80.5Confident74Confident114 Ų11447.3 Ų47.345%0.44724%0.24SC..Hα-helixtrans-59.5-55.9-179.2177.4-101.5000112.1D11 P12 S18 H310D11-Y14 WeakPolarHBondContact O-CB 3.46Å; D11-Y14 PolarHBondContact O-N 2.72Å; P12-Y14 PolarHBondContact O-N 3.33Å; Y14-S18 WeakPolarHBondContact O-CB 3.35Å; Y14-S18 PolarHBondContact O-N 3.48Å; Y14-H310 AromaticContact CE1-CE1 3.75Å
15F87.3Confident75.6Confident1 Ų143.9 Ų43.90%0.00424%0.239CC..Hα-helixtrans-67-46.8178.7-179.9-92000111P12 Q17 S18 F19 P35 V38 F39 L42 I63 L307 H310P12-F15 PolarHBondContact O-N 3.07Å; F15-Q17 PolarHBondContact O-N 3.13Å; F15-S18 PolarHBondContact O-N 2.76Å; F15-F19 HydrophobicContact CE1-CB 4.21Å; F15-F19 HydrophobicContact CE1-CD2 4.31Å; F15-F19 HydrophobicContact CE1-CG 4.35Å; F15-F19 HydrophobicContact CZ-CD2 4.15Å; F15-F19 VanDerWaalsContact O-CB 3.23Å; F15-F19 WeakPolarHBondContact O-CB 3.39Å; F15-F19 PolarHBondContact O-N 2.85Å; F15-P35 HydrophobicContact CD1-CB 4.26Å; F15-P35 HydrophobicContact CE1-CB 4.18Å; F15-P35 WeakPolarHBondContact CE1-O 3.47Å; F15-V38 HydrophobicContact CE1-CB 4.38Å; F15-V38 HydrophobicContact CZ-CB 4.14Å; F15-V38 HydrophobicContact CZ-CG1 3.95Å; F15-F39 HydrophobicContact CB-CD2 4.32Å; F15-F39 HydrophobicContact CD1-CB 3.81Å; F15-F39 AromaticContact CD1-CD2 3.89Å; F15-F39 HydrophobicContact CD1-CD2 3.89Å; F15-F39 HydrophobicContact CD1-CG 4.3Å; F15-F39 HydrophobicContact CE1-CB 3.67Å; F15-F39 HydrophobicContact CE1-CD2 4.46Å; F15-F39 HydrophobicContact CG-CD2 4.08Å; F15-F39 HydrophobicContact CZ-CB 4.46Å; F15-L42 HydrophobicContact CE2-CD1 3.77Å; F15-L42 HydrophobicContact CZ-CD1 3.95Å; F15-I63 HydrophobicContact CD2-CG2 4.3Å; F15-I63 HydrophobicContact CE2-CG2 4.41Å; F15-L307 HydrophobicContact CE2-CD2 4.39Å; F15-L307 HydrophobicContact CZ-CD2 4.38Å; F15-H310 AromaticContact CD2-CD2 3.46Å; F15-H310 VanDerWaalsContact CD2-CD2 3.46Å; F15-H310 WeakPolarHBondContact CD2-CD2 3.43Å; F15-H310 AromaticContact CD2-NE2 3.33Å; F15-H310 VanDerWaalsContact CD2-NE2 3.33Å; F15-H310 WeakPolarHBondContact CD2-NE2 3.3Å; F15-H310 AromaticContact CE2-CD2 3.6Å; F15-H310 AromaticContact CE2-NE2 4Å; F15-H310 AromaticContact CG-NE2 3.99Å
16T85.4Confident77Confident2 Ų247.5 Ų47.51%0.01226%0.257CS..Hα-helixtrans-63.1-44.5-173.355.10000113.1P12 N13 F19 I20 P35 F36P12-T16 VanDerWaalsContact O-CG2 3.28Å; P12-T16 WeakPolarHBondContact O-CG2 3.42Å; P12-T16 PolarHBondContact O-N 2.92Å; P12-T16 PolarHBondContact O-OG1 2.99Å; N13-T16 WeakPolarHBondContact CA-OG1 3.4Å; N13-T16 PolarHBondContact O-OG1 2.96Å; T16-F19 PolarHBondContact O-N 3.11Å; T16-I20 WeakPolarHBondContact O-CB 3.18Å; T16-I20 WeakPolarHBondContact O-CD1 3.2Å; T16-I20 WeakPolarHBondContact O-CG1 3.16Å; T16-I20 PolarHBondContact O-N 2.93Å; T16-P35 VanDerWaalsContact CB-CG 3.47Å; T16-P35 HydrophobicContact CG2-CB 3.77Å; T16-P35 HydrophobicContact CG2-CG 3.35Å; T16-F36 HydrophobicContact CG2-CE1 4.47Å; T16-F36 HydrophobicContact CG2-CE2 4.24Å; T16-F36 HydrophobicContact CG2-CZ 4.05Å
17Q84.6Confident78.2Confident39 Ų3946.3 Ų46.318%0.18224%0.237CC..Hα-helixtrans-67-45177.7-70.3-68.2-17.600112.1N13 F15 F19 I20 N21N13-Q17 HydrophobicContact CB-CG 4.49Å; N13-Q17 VanDerWaalsContact O-CB 3.24Å; N13-Q17 WeakPolarHBondContact O-CB 3.43Å; N13-Q17 VanDerWaalsContact O-CG 3.25Å; N13-Q17 WeakPolarHBondContact O-CG 3.31Å; N13-Q17 PolarHBondContact O-N 2.85Å; F15-Q17 PolarHBondContact O-N 3.13Å; Q17-F19 VanDerWaalsContact C-N 3.32Å; Q17-F19 PolarHBondContact O-N 3.5Å; Q17-I20 PolarHBondContact O-N 2.96Å; Q17-N21 WeakPolarHBondContact O-CB 3.41Å; Q17-N21 PolarHBondContact O-N 3.44Å
18S87.4Confident79.9Confident23 Ų2348.7 Ų48.716%0.16124%0.243CC..Hα-helixtrans-59.1-45.7176.81790000111.2Y14 F15 N21 H22 H310Y14-S18 WeakPolarHBondContact O-CB 3.35Å; Y14-S18 PolarHBondContact O-N 3.48Å; F15-S18 PolarHBondContact O-N 2.76Å; S18-N21 PolarHBondContact O-N 2.73Å; S18-H22 PolarHBondContact O-N 3.18Å; S18-H22 PolarHBondContact O-ND1 2.9Å; S18-H22 PolarHBondContact OG-CE1 3.05Å; S18-H22 PolarHBondContact OG-ND1 3.49Å; S18-H310 WeakPolarHBondContact CB-CE1 3.36Å; S18-H310 PolarHBondContact OG-CE1 3.36Å; S18-H310 PolarHBondContact OG-ND1 3.11Å
19F91.4Very high81.6Confident1 Ų145.5 Ų45.50%0.00424%0.237CC..Hα-helixtrans-61.5-49.5178.4-176.2-92.7000112.1F15 T16 Q17 N21 H22 S23 T33 S34 P35 V38 L303 I306F15-F19 HydrophobicContact CE1-CB 4.21Å; F15-F19 HydrophobicContact CE1-CD2 4.31Å; F15-F19 HydrophobicContact CE1-CG 4.35Å; F15-F19 HydrophobicContact CZ-CD2 4.15Å; F15-F19 VanDerWaalsContact O-CB 3.23Å; F15-F19 WeakPolarHBondContact O-CB 3.39Å; F15-F19 PolarHBondContact O-N 2.85Å; T16-F19 PolarHBondContact O-N 3.11Å; Q17-F19 VanDerWaalsContact C-N 3.32Å; Q17-F19 PolarHBondContact O-N 3.5Å; F19-N21 VanDerWaalsContact C-N 3.34Å; F19-N21 PolarHBondContact O-N 3.47Å; F19-H22 PolarHBondContact O-N 3.21Å; F19-S23 WeakPolarHBondContact O-CB 3.32Å; F19-S23 PolarHBondContact O-N 2.82Å; F19-S23 PolarHBondContact O-OG 2.8Å; F19-T33 WeakPolarHBondContact CE1-OG1 3.33Å; F19-S34 WeakPolarHBondContact CE1-O 3.35Å; F19-P35 HydrophobicContact CB-CB 4Å; F19-P35 VanDerWaalsContact CD1-CA 3.48Å; F19-P35 HydrophobicContact CD1-CB 3.65Å; F19-P35 HydrophobicContact CE1-CB 4.41Å; F19-P35 HydrophobicContact CG-CB 3.99Å; F19-V38 HydrophobicContact CD2-CG2 4.41Å; F19-V38 HydrophobicContact CE1-CG2 4.36Å; F19-V38 HydrophobicContact CE2-CB 4.02Å; F19-V38 HydrophobicContact CE2-CG1 4.17Å; F19-V38 HydrophobicContact CE2-CG2 3.46Å; F19-V38 VanDerWaalsContact CE2-CG2 3.46Å; F19-V38 HydrophobicContact CZ-CB 4.34Å; F19-V38 HydrophobicContact CZ-CG2 3.42Å; F19-V38 VanDerWaalsContact CZ-CG2 3.42Å; F19-L303 HydrophobicContact CE2-CD2 3.84Å; F19-L303 HydrophobicContact CZ-CD2 3.71Å; F19-I306 HydrophobicContact CD2-CG2 3.74Å; F19-I306 HydrophobicContact CE2-CG2 3.71Å
20I90.9Very high83Confident1 Ų141.5 Ų41.51%0.00522%0.219CC..Hα-helixtrans-58.6-47.3178.9-70.3165.1000110.4T16 Q17 H22 S23 L24 T33 P35 L270 A393T16-I20 WeakPolarHBondContact O-CB 3.18Å; T16-I20 WeakPolarHBondContact O-CD1 3.2Å; T16-I20 WeakPolarHBondContact O-CG1 3.16Å; T16-I20 PolarHBondContact O-N 2.93Å; Q17-I20 PolarHBondContact O-N 2.96Å; I20-H22 PolarHBondContact O-N 3.05Å; I20-S23 PolarHBondContact O-N 3.26Å; I20-L24 HydrophobicContact CG2-CD1 3.5Å; I20-L24 VanDerWaalsContact CG2-CD1 3.5Å; I20-L24 WeakPolarHBondContact O-CB 3.17Å; I20-L24 VanDerWaalsContact O-CD1 3.3Å; I20-L24 WeakPolarHBondContact O-CD1 3.31Å; I20-L24 WeakPolarHBondContact O-CG 3.38Å; I20-L24 PolarHBondContact O-N 2.61Å; I20-L24 VanDerWaalsContact O-N 3.11Å; I20-T33 HydrophobicContact CG1-CG2 4.22Å; I20-P35 HydrophobicContact CD1-CG 4.41Å; I20-L270 HydrophobicContact CG2-CB 4.5Å; I20-L270 HydrophobicContact CG2-CD2 4.19Å; I20-A393 HydrophobicContact CD1-CB 3.99Å; I20-A393 HydrophobicContact CG1-CB 4.19Å; I20-A393 HydrophobicContact CG2-CB 3.75Å
21N90.4Very high84.2Confident46 Ų4641 Ų4125%0.24622%0.218CC..Hα-helixtrans-55.8-52.9178.6178.525.6000111.7Q17 S18 F19 L24 S25 L270Q17-N21 WeakPolarHBondContact O-CB 3.41Å; Q17-N21 PolarHBondContact O-N 3.44Å; S18-N21 PolarHBondContact O-N 2.73Å; F19-N21 VanDerWaalsContact C-N 3.34Å; F19-N21 PolarHBondContact O-N 3.47Å; N21-L24 PolarHBondContact O-N 2.91Å; N21-S25 PolarHBondContact O-N 3.33Å; N21-L270 WeakPolarHBondContact CA-O 3.43Å; N21-L270 PolarHBondContact N-O 2.93Å
22H90.5Very high85.2Confident34 Ų3437.7 Ų37.716%0.15720%0.2CC..Hα-helixtrans-64.6-44.1-178.2-67.3125.9000112.1S18 F19 I20 L24 S25 M26 I306 L309S18-H22 PolarHBondContact O-N 3.18Å; S18-H22 PolarHBondContact O-ND1 2.9Å; S18-H22 PolarHBondContact OG-CE1 3.05Å; S18-H22 PolarHBondContact OG-ND1 3.49Å; F19-H22 PolarHBondContact O-N 3.21Å; I20-H22 PolarHBondContact O-N 3.05Å; H22-L24 PolarHBondContact O-N 3.13Å; H22-S25 PolarHBondContact O-N 3.27Å; H22-S25 PolarHBondContact O-OG 2.84Å; H22-M26 WeakPolarHBondContact O-CG 3.4Å; H22-M26 PolarHBondContact O-N 2.99Å; H22-I306 HydrophobicContact CB-CG2 4.01Å; H22-L309 HydrophobicContact CB-CD1 4.42Å
23S88.2Confident86.3Confident0 Ų037.4 Ų37.40%020%0.198CC..Hα-helixtrans-56.1-37.1176.3-660000112.9F19 I20 T27F19-S23 WeakPolarHBondContact O-CB 3.32Å; F19-S23 PolarHBondContact O-N 2.82Å; F19-S23 PolarHBondContact O-OG 2.8Å; I20-S23 PolarHBondContact O-N 3.26Å; S23-T27 PolarHBondContact O-OG1 2.9Å
24L80.6Confident87.1Confident12 Ų1236 Ų366%0.06319%0.191CC..Hα-helixtrans-85.1-27.5-177.4-74.7154.6000114I20 N21 H22 M26 L31 L270 R395I20-L24 HydrophobicContact CG2-CD1 3.5Å; I20-L24 VanDerWaalsContact CG2-CD1 3.5Å; I20-L24 WeakPolarHBondContact O-CB 3.17Å; I20-L24 VanDerWaalsContact O-CD1 3.3Å; I20-L24 WeakPolarHBondContact O-CD1 3.31Å; I20-L24 WeakPolarHBondContact O-CG 3.38Å; I20-L24 PolarHBondContact O-N 2.61Å; I20-L24 VanDerWaalsContact O-N 3.11Å; N21-L24 PolarHBondContact O-N 2.91Å; H22-L24 PolarHBondContact O-N 3.13Å; L24-M26 PolarHBondContact O-N 3.42Å; L24-L31 HydrophobicContact CB-CD2 4.42Å; L24-L31 HydrophobicContact CD2-CB 3.82Å; L24-L31 HydrophobicContact CD2-CD2 3.31Å; L24-L31 HydrophobicContact CD2-CG 4.1Å; L24-L31 HydrophobicContact CG-CD2 3.51Å; L24-L270 HydrophobicContact CD1-CB 3.57Å; L24-L270 HydrophobicContact CD1-CD1 3.82Å; L24-L270 HydrophobicContact CD1-CD2 3.54Å; L24-L270 HydrophobicContact CD1-CG 3.78Å; L24-L270 HydrophobicContact CD2-CD1 4.27Å; L24-R395 HydrophobicContact CD2-CB 4.18Å
25S79.3Confident87.6Confident81 Ų8130.6 Ų30.657%0.56617%0.169SC*.Hα-helixtrans-67.1-25172.974.50000112.7N21 H22N21-S25 PolarHBondContact O-N 3.33Å; H22-S25 PolarHBondContact O-N 3.27Å; H22-S25 PolarHBondContact O-OG 2.84Å
26M77.9Confident87.7Confident93 Ų9330.6 Ų30.646%0.45817%0.169SC..SBendtrans-96.2-9.2-175-67.7-167.275.400114.4H22 L24 N305 I306 L309H22-M26 WeakPolarHBondContact O-CG 3.4Å; H22-M26 PolarHBondContact O-N 2.99Å; L24-M26 PolarHBondContact O-N 3.42Å; M26-N305 HydrophobicContact CE-CB 3.54Å; M26-N305 HydrophobicContact SD-CB 3.93Å; M26-I306 HydrophobicContact SD-CG1 3.8Å; M26-L309 HydrophobicContact SD-CD1 4.27Å
27T80.3Confident88Confident36 Ų3630.5 Ų30.522%0.22117%0.169CC..  trans-123.4135.9-174.354.80000110.3S23 L31 L301 R395S23-T27 PolarHBondContact O-OG1 2.9Å; T27-L31 HydrophobicContact CG2-CD1 4.09Å; T27-L31 WeakPolarHBondContact OG1-CD2 3.25Å; T27-L301 HydrophobicContact CG2-CD2 4.04Å; T27-R395 PolarHBondContact O-NH2 2.87Å
28E82.1Confident88.4Confident196 Ų19628.6 Ų28.692%0.91616%0.16SC*.  trans-99150.2171.9-68.9-170.4175.100110.5
29G89.9Confident88.7Confident30 Ų3027.6 Ų27.631%0.30915%0.153SC..SBendtrans80.7-144.1177.300000113.2R395G29-R395 PolarHBondContact O-NE 2.68Å; G29-R395 PolarHBondContact O-NH2 2.62Å
30N92.5Very high88.7Confident42 Ų4227.6 Ų27.623%0.22515%0.153CC..  trans-66.1138.1178.2-71.3-9000111.1L297 R395 I397 K398N30-L297 HydrophobicContact CB-CD2 3.95Å; N30-L297 VanDerWaalsContact ND2-CD2 3.27Å; N30-L297 WeakPolarHBondContact ND2-CD2 3.36Å; N30-R395 VanDerWaalsContact CA-O 3.28Å; N30-R395 WeakPolarHBondContact CA-O 3.39Å; N30-I397 WeakPolarHBondContact OD1-CA 3.33Å; N30-I397 WeakPolarHBondContact OD1-CB 3.42Å; N30-I397 PolarHBondContact OD1-N 2.6Å; N30-K398 PolarHBondContact ND2-O 2.99Å; N30-K398 PolarHBondContact OD1-N 3.3Å; N30-K398 PolarHBondContact OD1-O 3.48Å
31L92.2Very high88.9Confident5 Ų527.6 Ų27.63%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-144.4143.6165.1-174.471.6000108.8L24 T27 T33 L301 A394 R395L24-L31 HydrophobicContact CB-CD2 4.42Å; L24-L31 HydrophobicContact CD2-CB 3.82Å; L24-L31 HydrophobicContact CD2-CD2 3.31Å; L24-L31 HydrophobicContact CD2-CG 4.1Å; L24-L31 HydrophobicContact CG-CD2 3.51Å; T27-L31 HydrophobicContact CG2-CD1 4.09Å; T27-L31 WeakPolarHBondContact OG1-CD2 3.25Å; L31-T33 HydrophobicContact CD2-CG2 4.34Å; L31-L301 HydrophobicContact CD1-CD2 3.99Å; L31-A394 CarbonylContact O-C 3.45Å; L31-A394 WeakPolarHBondContact O-CA 3.21Å; L31-A394 WeakPolarHBondContact O-CB 3.44Å; L31-R395 PolarHBondContact N-O 3.46Å; L31-R395 VanDerWaalsContact N-O 3.08Å; L31-R395 PolarHBondContact O-N 2.89Å
32V91.7Very high89.2Confident0 Ų025.4 Ų25.40%014%0.141CC..EExtended strand (participates in β ladder)trans-119144.1156.954.20000107.4L297 S299 D341 I343 F392 A393 A394V32-L297 HydrophobicContact CB-CB 4.21Å; V32-L297 HydrophobicContact CG1-CB 3.94Å; V32-S299 VanDerWaalsContact CG1-OG 3.25Å; V32-S299 WeakPolarHBondContact CG1-OG 3.29Å; V32-S299 PolarHBondContact O-OG 3.15Å; V32-D341 HydrophobicContact CG1-CB 4.07Å; V32-D341 HydrophobicContact CG2-CB 4.36Å; V32-I343 HydrophobicContact CB-CG2 3.79Å; V32-I343 HydrophobicContact CG1-CG2 4.16Å; V32-I343 HydrophobicContact CG2-CB 4Å; V32-I343 HydrophobicContact CG2-CG2 3.55Å; V32-F392 HydrophobicContact CG2-CD1 3.6Å; V32-F392 HydrophobicContact CG2-CE1 4.19Å; V32-F392 HydrophobicContact CG2-CG 4.48Å; V32-A393 CarbonylContact C-O 3.58Å; V32-A393 WeakPolarHBondContact CA-O 3.09Å; V32-A394 HydrophobicContact CB-CB 4.16Å; V32-A394 HydrophobicContact CG2-CB 4.36Å
33T93.2Very high89.4Confident0 Ų023.8 Ų23.80%013%0.133CC..EExtended strand (participates in β ladder)trans-150.6147171.4-166.70000111.6F19 I20 L31 L301 D341 F392 A393F19-T33 WeakPolarHBondContact CE1-OG1 3.33Å; I20-T33 HydrophobicContact CG1-CG2 4.22Å; L31-T33 HydrophobicContact CD2-CG2 4.34Å; T33-L301 WeakPolarHBondContact OG1-CD1 3.2Å; T33-D341 VanDerWaalsContact CA-OD2 3.25Å; T33-D341 WeakPolarHBondContact CA-OD2 3.47Å; T33-D341 PolarHBondContact OG1-OD2 3.47Å; T33-F392 WeakPolarHBondContact O-CA 3.28Å; T33-A393 PolarHBondContact N-O 3.2Å; T33-A393 PolarHBondContact O-N 3.07Å
34S92.7Very high89.8Confident0 Ų023.8 Ų23.80%013%0.133CC..  trans-118.5132.5167.7-174.10000110.4F19 F36 F189 Q339 D341 L391F19-S34 WeakPolarHBondContact CE1-O 3.35Å; S34-F36 VanDerWaalsContact C-N 3.31Å; S34-F36 PolarHBondContact OG-N 2.99Å; S34-F189 WeakPolarHBondContact OG-CD1 3.37Å; S34-F189 WeakPolarHBondContact OG-CG 3.09Å; S34-Q339 PolarHBondContact O-NE2 2.97Å; S34-D341 WeakPolarHBondContact CB-OD1 3.46Å; S34-D341 PolarHBondContact N-OD2 3.45Å; S34-L391 VanDerWaalsContact CB-O 3.24Å; S34-L391 WeakPolarHBondContact CB-O 3.35Å; S34-L391 PolarHBondContact OG-O 3.32Å
35P91.7Very high90.5Very high0 Ų023.2 Ų23.20%013%0.131CC..SBendtrans-76.7-19.7172.729.2-32.9000113.3F15 T16 F19 I20 G37 V38 F39F15-P35 HydrophobicContact CD1-CB 4.26Å; F15-P35 HydrophobicContact CE1-CB 4.18Å; F15-P35 WeakPolarHBondContact CE1-O 3.47Å; T16-P35 VanDerWaalsContact CB-CG 3.47Å; T16-P35 HydrophobicContact CG2-CB 3.77Å; T16-P35 HydrophobicContact CG2-CG 3.35Å; F19-P35 HydrophobicContact CB-CB 4Å; F19-P35 VanDerWaalsContact CD1-CA 3.48Å; F19-P35 HydrophobicContact CD1-CB 3.65Å; F19-P35 HydrophobicContact CE1-CB 4.41Å; F19-P35 HydrophobicContact CG-CB 3.99Å; I20-P35 HydrophobicContact CD1-CG 4.41Å; P35-G37 PolarHBondContact O-N 3.3Å; P35-V38 PolarHBondContact O-N 2.95Å; P35-F39 WeakPolarHBondContact O-CB 3.4Å; P35-F39 PolarHBondContact O-N 2.87Å
36F90Very high91.3Very high1 Ų119.4 Ų19.40%0.00410%0.104CC..Hα-helixtrans-69.7-37.4-165.9-75.3-79.9000113.2T16 S34 V38 F39 F40 T91 L95 F189 L389 L391T16-F36 HydrophobicContact CG2-CE1 4.47Å; T16-F36 HydrophobicContact CG2-CE2 4.24Å; T16-F36 HydrophobicContact CG2-CZ 4.05Å; S34-F36 VanDerWaalsContact C-N 3.31Å; S34-F36 PolarHBondContact OG-N 2.99Å; F36-V38 PolarHBondContact O-N 2.81Å; F36-F39 PolarHBondContact O-N 2.91Å; F36-F40 HydrophobicContact CB-CD2 4.11Å; F36-F40 HydrophobicContact CB-CE2 3.98Å; F36-F40 AromaticContact CD1-CE2 3.9Å; F36-F40 HydrophobicContact CD1-CE2 3.9Å; F36-F40 HydrophobicContact CD1-CZ 4.34Å; F36-F40 HydrophobicContact CG-CE2 4.39Å; F36-F40 WeakPolarHBondContact O-CB 3.4Å; F36-F40 WeakPolarHBondContact O-CD2 3.28Å; F36-F40 WeakPolarHBondContact O-CG 3.23Å; F36-F40 PolarHBondContact O-N 3.12Å; F36-T91 HydrophobicContact CE1-CG2 4.32Å; F36-L95 HydrophobicContact CD1-CD1 3.9Å; F36-L95 HydrophobicContact CE1-CD1 3.92Å; F36-F189 HydrophobicContact CB-CD2 3.59Å; F36-F189 HydrophobicContact CB-CE2 3.52Å; F36-F189 HydrophobicContact CB-CG 4.17Å; F36-F189 HydrophobicContact CB-CZ 4.08Å; F36-F189 HydrophobicContact CD2-CZ 4.34Å; F36-F189 HydrophobicContact CG-CE2 4.17Å; F36-F189 HydrophobicContact CG-CZ 4.35Å; F36-L389 HydrophobicContact CE1-CD1 4.16Å; F36-L389 HydrophobicContact CZ-CB 4.01Å; F36-L389 HydrophobicContact CZ-CD1 3.76Å; F36-L389 HydrophobicContact CZ-CG 4.4Å; F36-L391 HydrophobicContact CD2-CD2 4.07Å; F36-L391 HydrophobicContact CE2-CD2 3.56Å; F36-L391 HydrophobicContact CZ-CD2 3.93Å
37G90Very high92.2Very high0 Ų015.2 Ų15.20%08%0.084CC..Hα-helixtrans-54.2-53.7174.400000112.3P35 M41 N114 S187P35-G37 PolarHBondContact O-N 3.3Å; G37-M41 PolarHBondContact O-N 3Å; G37-M41 VanDerWaalsContact O-N 3.12Å; G37-N114 PolarHBondContact O-OD1 2.87Å; G37-S187 WeakPolarHBondContact CA-OG 3.37Å; G37-S187 PolarHBondContact O-OG 2.84Å; G37-S187 VanDerWaalsContact O-OG 3.12Å
38V93.7Very high92.9Very high0 Ų013.6 Ų13.60%07%0.074CC..Hα-helixtrans-62.4-47.3176.9-167.80000112.4F15 F19 P35 F36 F40 M41 L42 L303 L307 F337F15-V38 HydrophobicContact CE1-CB 4.38Å; F15-V38 HydrophobicContact CZ-CB 4.14Å; F15-V38 HydrophobicContact CZ-CG1 3.95Å; F19-V38 HydrophobicContact CD2-CG2 4.41Å; F19-V38 HydrophobicContact CE1-CG2 4.36Å; F19-V38 HydrophobicContact CE2-CB 4.02Å; F19-V38 HydrophobicContact CE2-CG1 4.17Å; F19-V38 HydrophobicContact CE2-CG2 3.46Å; F19-V38 VanDerWaalsContact CE2-CG2 3.46Å; F19-V38 HydrophobicContact CZ-CB 4.34Å; F19-V38 HydrophobicContact CZ-CG2 3.42Å; F19-V38 VanDerWaalsContact CZ-CG2 3.42Å; P35-V38 PolarHBondContact O-N 2.95Å; F36-V38 PolarHBondContact O-N 2.81Å; V38-F40 VanDerWaalsContact C-N 3.33Å; V38-F40 PolarHBondContact O-N 3.02Å; V38-M41 PolarHBondContact O-N 3.29Å; V38-L42 HydrophobicContact CG1-CD1 4.05Å; V38-L42 HydrophobicContact CG1-CG 4.3Å; V38-L42 WeakPolarHBondContact O-CG 3.37Å; V38-L42 PolarHBondContact O-N 2.81Å; V38-L303 HydrophobicContact CB-CD1 4.36Å; V38-L303 HydrophobicContact CG1-CD1 4.12Å; V38-L303 HydrophobicContact CG2-CD1 3.36Å; V38-L303 HydrophobicContact CG2-CD2 4.1Å; V38-L303 HydrophobicContact CG2-CG 4.35Å; V38-L307 HydrophobicContact CG1-CD1 4.03Å; V38-L307 HydrophobicContact CG1-CD2 3.82Å; V38-L307 HydrophobicContact CG1-CG 4.39Å; V38-F337 HydrophobicContact CB-CZ 4.31Å; V38-F337 HydrophobicContact CG1-CE1 3.69Å; V38-F337 HydrophobicContact CG1-CZ 3.8Å
39F93.2Very high93.6Very high2 Ų24.3 Ų4.31%0.0093%0.031CC..Hα-helixtrans-53.9-50.7179.6173.3-102.5000111.6F15 P35 F36 L42 C43 I63 L87 T91F15-F39 HydrophobicContact CB-CD2 4.32Å; F15-F39 HydrophobicContact CD1-CB 3.81Å; F15-F39 AromaticContact CD1-CD2 3.89Å; F15-F39 HydrophobicContact CD1-CD2 3.89Å; F15-F39 HydrophobicContact CD1-CG 4.3Å; F15-F39 HydrophobicContact CE1-CB 3.67Å; F15-F39 HydrophobicContact CE1-CD2 4.46Å; F15-F39 HydrophobicContact CG-CD2 4.08Å; F15-F39 HydrophobicContact CZ-CB 4.46Å; P35-F39 WeakPolarHBondContact O-CB 3.4Å; P35-F39 PolarHBondContact O-N 2.87Å; F36-F39 PolarHBondContact O-N 2.91Å; F39-L42 PolarHBondContact O-N 3.32Å; F39-C43 PolarHBondContact O-N 3.27Å; F39-C43 PolarHBondContact O-SG 2.98Å; F39-I63 HydrophobicContact CD2-CB 4.32Å; F39-I63 HydrophobicContact CD2-CG2 4.37Å; F39-I63 HydrophobicContact CE2-CB 4.17Å; F39-L87 HydrophobicContact CE1-CG 4.43Å; F39-L87 HydrophobicContact CE2-CD2 3.88Å; F39-L87 HydrophobicContact CE2-CG 4.42Å; F39-L87 HydrophobicContact CZ-CD1 4.12Å; F39-L87 HydrophobicContact CZ-CD2 3.58Å; F39-L87 HydrophobicContact CZ-CG 3.62Å; F39-T91 HydrophobicContact CE1-CG2 4.35Å
40F92.9Very high93.9Very high1 Ų12.9 Ų2.90%0.0042%0.017CC..Hα-helixtrans-66.9-38.7-178.7-74.9-55.5000112.6F36 V38 L42 C43 A44 Y88 T91 L92 L95 L112F36-F40 HydrophobicContact CB-CD2 4.11Å; F36-F40 HydrophobicContact CB-CE2 3.98Å; F36-F40 AromaticContact CD1-CE2 3.9Å; F36-F40 HydrophobicContact CD1-CE2 3.9Å; F36-F40 HydrophobicContact CD1-CZ 4.34Å; F36-F40 HydrophobicContact CG-CE2 4.39Å; F36-F40 WeakPolarHBondContact O-CB 3.4Å; F36-F40 WeakPolarHBondContact O-CD2 3.28Å; F36-F40 WeakPolarHBondContact O-CG 3.23Å; F36-F40 PolarHBondContact O-N 3.12Å; V38-F40 VanDerWaalsContact C-N 3.33Å; V38-F40 PolarHBondContact O-N 3.02Å; F40-L42 PolarHBondContact O-N 3.12Å; F40-C43 PolarHBondContact O-N 3.24Å; F40-A44 WeakPolarHBondContact O-CB 3.47Å; F40-A44 PolarHBondContact O-N 3.49Å; F40-Y88 HydrophobicContact CB-CD2 4.06Å; F40-Y88 HydrophobicContact CB-CE2 3.71Å; F40-Y88 AromaticContact CD1-CD2 3.45Å; F40-Y88 HydrophobicContact CD1-CD2 3.45Å; F40-Y88 VanDerWaalsContact CD1-CD2 3.45Å; F40-Y88 AromaticContact CD1-CE2 3.65Å; F40-Y88 HydrophobicContact CD1-CE2 3.65Å; F40-Y88 HydrophobicContact CD1-CG 4.09Å; F40-Y88 HydrophobicContact CE1-CD2 4.34Å; F40-Y88 HydrophobicContact CG-CD2 4.2Å; F40-Y88 HydrophobicContact CG-CE2 4.03Å; F40-T91 HydrophobicContact CE1-CG2 4.2Å; F40-T91 HydrophobicContact CZ-CG2 3.87Å; F40-L92 HydrophobicContact CE1-CB 3.79Å; F40-L92 HydrophobicContact CE2-CD1 4.34Å; F40-L92 HydrophobicContact CZ-CB 4.01Å; F40-L92 HydrophobicContact CZ-CD1 4.16Å; F40-L95 HydrophobicContact CE2-CD1 4.21Å; F40-L95 HydrophobicContact CZ-CD1 4.09Å; F40-L112 HydrophobicContact CB-CD1 4.34Å; F40-L112 HydrophobicContact CB-CD2 3.6Å; F40-L112 HydrophobicContact CD1-CD2 4.44Å; F40-L112 HydrophobicContact CD2-CD1 4.01Å; F40-L112 HydrophobicContact CD2-CD2 3.39Å; F40-L112 HydrophobicContact CD2-CG 4.29Å; F40-L112 HydrophobicContact CE2-CD2 4.14Å; F40-L112 HydrophobicContact CG-CD2 3.57Å
41M95.3Very high94Very high0 Ų00.9 Ų0.90%01%0.006CC..Hα-helixtrans-64.7-39.7175.4177.981-61.700112.3G37 V38 A44 L45 N114 I116 E138 L185 F337G37-M41 PolarHBondContact O-N 3Å; G37-M41 VanDerWaalsContact O-N 3.12Å; V38-M41 PolarHBondContact O-N 3.29Å; M41-A44 HydrophobicContact CE-CB 3.8Å; M41-A44 PolarHBondContact O-N 3.26Å; M41-L45 HydrophobicContact CE-CG 4.48Å; M41-L45 HydrophobicContact CG-CD1 4.31Å; M41-L45 WeakPolarHBondContact O-CG 3.4Å; M41-L45 PolarHBondContact O-N 2.97Å; M41-N114 HydrophobicContact CB-CB 4.22Å; M41-N114 HydrophobicContact CE-CB 3.74Å; M41-N114 HydrophobicContact SD-CB 3.7Å; M41-I116 HydrophobicContact CE-CD1 3.76Å; M41-I116 HydrophobicContact CE-CG1 3.66Å; M41-I116 HydrophobicContact SD-CD1 4.43Å; M41-I116 HydrophobicContact SD-CG1 3.79Å; M41-E138 VanDerWaalsContact CE-OE2 3.24Å; M41-E138 WeakPolarHBondContact CE-OE2 3.41Å; M41-L185 HydrophobicContact CG-CD1 4.37Å; M41-L185 HydrophobicContact SD-CB 4.44Å; M41-L185 HydrophobicContact SD-CD2 4.06Å; M41-F337 HydrophobicContact CB-CE2 4.4Å; M41-F337 HydrophobicContact CB-CZ 3.73Å; M41-F337 HydrophobicContact CG-CE1 4.2Å; M41-F337 HydrophobicContact CG-CE2 4.06Å; M41-F337 HydrophobicContact CG-CZ 3.58Å
42L95.7Very high94.1Very high0 Ų03.1 Ų3.10%01%0.014CC..Hα-helixtrans-65-42.9175.8-70.1176.5000111.6F15 V38 F39 F40 A44 L45 L46 I59 I63 L307 I312 L315 F337F15-L42 HydrophobicContact CE2-CD1 3.77Å; F15-L42 HydrophobicContact CZ-CD1 3.95Å; V38-L42 HydrophobicContact CG1-CD1 4.05Å; V38-L42 HydrophobicContact CG1-CG 4.3Å; V38-L42 WeakPolarHBondContact O-CG 3.37Å; V38-L42 PolarHBondContact O-N 2.81Å; F39-L42 PolarHBondContact O-N 3.32Å; F40-L42 PolarHBondContact O-N 3.12Å; L42-A44 VanDerWaalsContact C-N 3.32Å; L42-A44 PolarHBondContact O-N 3.12Å; L42-L45 PolarHBondContact O-N 3.31Å; L42-L46 WeakPolarHBondContact O-CB 3.22Å; L42-L46 PolarHBondContact O-N 3.02Å; L42-I59 HydrophobicContact CB-CG2 4.04Å; L42-I59 HydrophobicContact CD2-CG1 4.47Å; L42-I59 HydrophobicContact CD2-CG2 4.23Å; L42-I63 HydrophobicContact CB-CG2 3.81Å; L42-I63 HydrophobicContact CD1-CG2 3.93Å; L42-L307 HydrophobicContact CD1-CD2 4.09Å; L42-I312 HydrophobicContact CD1-CD1 3.71Å; L42-I312 HydrophobicContact CD2-CD1 4.13Å; L42-L315 HydrophobicContact CD2-CD2 4.29Å; L42-F337 HydrophobicContact CD2-CE1 4.29Å; L42-F337 HydrophobicContact CG-CE1 4.49Å
43C94.7Very high94.1Very high0 Ų08.3 Ų8.30%04%0.037CC..Hα-helixtrans-59.6-41.3173-69.10000112F39 F40 G47 Y88F39-C43 PolarHBondContact O-N 3.27Å; F39-C43 PolarHBondContact O-SG 2.98Å; F40-C43 PolarHBondContact O-N 3.24Å; C43-G47 WeakPolarHBondContact O-CA 3.39Å; C43-G47 PolarHBondContact O-N 3.33Å; C43-Y88 HydrophobicContact CB-CD2 3.92Å; C43-Y88 HydrophobicContact CB-CG 4.43Å
44A95.9Very high94.1Very high0 Ų012 Ų120%06%0.056CC..Hα-helixtrans-65.8-46.7178.200000112.1F40 M41 L42 L46 S48 L132 F136F40-A44 WeakPolarHBondContact O-CB 3.47Å; F40-A44 PolarHBondContact O-N 3.49Å; M41-A44 HydrophobicContact CE-CB 3.8Å; M41-A44 PolarHBondContact O-N 3.26Å; L42-A44 VanDerWaalsContact C-N 3.32Å; L42-A44 PolarHBondContact O-N 3.12Å; A44-L46 PolarHBondContact O-N 3.27Å; A44-S48 VanDerWaalsContact O-CB 3.3Å; A44-S48 WeakPolarHBondContact O-CB 3.4Å; A44-S48 PolarHBondContact O-N 3.49Å; A44-S48 PolarHBondContact O-OG 3.34Å; A44-S48 VanDerWaalsContact O-OG 3.11Å; A44-L132 HydrophobicContact CB-CD1 4.13Å; A44-F136 HydrophobicContact CB-CB 4.33Å; A44-F136 HydrophobicContact CB-CD1 3.75Å; A44-F136 HydrophobicContact CB-CD2 4.25Å; A44-F136 HydrophobicContact CB-CE1 4.1Å; A44-F136 HydrophobicContact CB-CG 3.83Å; A44-F136 HydrophobicContact CB-CZ 4.5Å
45L96.7Very high94.2Very high1 Ų112 Ų121%0.0056%0.056CC..Hα-helixtrans-58.7-49.2176.6-75169.8000112.2M41 L42 G50 P51 I116 F128 L185 I326M41-L45 HydrophobicContact CE-CG 4.48Å; M41-L45 HydrophobicContact CG-CD1 4.31Å; M41-L45 WeakPolarHBondContact O-CG 3.4Å; M41-L45 PolarHBondContact O-N 2.97Å; L42-L45 PolarHBondContact O-N 3.31Å; L45-G50 PolarHBondContact O-N 3.26Å; L45-P51 HydrophobicContact CB-CG 4.26Å; L45-P51 WeakPolarHBondContact O-CD 3.36Å; L45-I116 HydrophobicContact CD2-CD1 3.77Å; L45-F128 HydrophobicContact CD2-CZ 4.33Å; L45-L185 HydrophobicContact CD1-CD1 3.51Å; L45-L185 HydrophobicContact CD1-CD2 4.19Å; L45-L185 HydrophobicContact CD2-CD2 4.35Å; L45-I326 HydrophobicContact CD2-CD1 4.27Å
46L95.9Very high94.4Very high0 Ų012 Ų120%06%0.057CC..Hα-helixtrans-69.9-45.3-178.7-178.453.7000111.8L42 A44 S48 G49 I59 I63 L80 A81 S84L42-L46 WeakPolarHBondContact O-CB 3.22Å; L42-L46 PolarHBondContact O-N 3.02Å; A44-L46 PolarHBondContact O-N 3.27Å; L46-S48 VanDerWaalsContact C-N 3.34Å; L46-S48 PolarHBondContact O-N 2.75Å; L46-G49 WeakPolarHBondContact O-CA 3.38Å; L46-G49 PolarHBondContact O-N 3.4Å; L46-I59 HydrophobicContact CB-CG2 4.06Å; L46-I59 HydrophobicContact CD2-CB 4.34Å; L46-I59 HydrophobicContact CD2-CG2 3.92Å; L46-I63 HydrophobicContact CD2-CD1 3.95Å; L46-L80 HydrophobicContact CD1-CB 4.28Å; L46-L80 HydrophobicContact CD2-CB 4.24Å; L46-L80 HydrophobicContact CG-CB 4.49Å; L46-A81 VanDerWaalsContact O-CB 3.25Å; L46-A81 WeakPolarHBondContact O-CB 3.24Å; L46-S84 WeakPolarHBondContact CD2-OG 3.35Å; L46-S84 WeakPolarHBondContact CG-OG 3.18Å
47G95.4Very high94.5Very high5 Ų513 Ų135%0.0526%0.062CC..Hα-helixtrans-69.2-26.8-177.900000114.7C43 G49 A81C43-G47 WeakPolarHBondContact O-CA 3.39Å; C43-G47 PolarHBondContact O-N 3.33Å; G47-G49 PolarHBondContact O-N 2.65Å; G47-A81 WeakPolarHBondContact CA-O 3.45Å
48S96.5Very high94.7Very high2 Ų214.4 Ų14.41%0.0147%0.068CC..THydrogen-bonded Turntrans-81.51.5168.6-61.60000113.2A44 L46 G50 F128 L132 F136A44-S48 VanDerWaalsContact O-CB 3.3Å; A44-S48 WeakPolarHBondContact O-CB 3.4Å; A44-S48 PolarHBondContact O-N 3.49Å; A44-S48 PolarHBondContact O-OG 3.34Å; A44-S48 VanDerWaalsContact O-OG 3.11Å; L46-S48 VanDerWaalsContact C-N 3.34Å; L46-S48 PolarHBondContact O-N 2.75Å; S48-G50 PolarHBondContact O-N 2.87Å; S48-F128 VanDerWaalsContact CB-CE2 3.49Å; S48-F128 WeakPolarHBondContact O-CD2 3.24Å; S48-L132 WeakPolarHBondContact OG-CA 3.43Å; S48-L132 WeakPolarHBondContact OG-CB 3.42Å; S48-L132 PolarHBondContact OG-N 2.85Å; S48-F136 WeakPolarHBondContact OG-CD2 3.41Å; S48-F136 WeakPolarHBondContact OG-CE2 3.3Å
49G95.5Very high94.7Very high1 Ų114.4 Ų14.41%0.017%0.068CC..THydrogen-bonded Turntrans73.224.3175.700000114.8L46 G47 R52 G325L46-G49 WeakPolarHBondContact O-CA 3.38Å; L46-G49 PolarHBondContact O-N 3.4Å; G47-G49 PolarHBondContact O-N 2.65Å; G49-R52 PolarHBondContact O-NE 3.43Å; G49-R52 PolarHBondContact O-NH2 3.49Å; G49-G325 WeakPolarHBondContact O-CA 3.42Å
50G95.9Very high94.7Very high0 Ų014.3 Ų14.30%07%0.068CC..  trans-68.9-64.2-178.600000112.8L45 S48 L323 G325 I326L45-G50 PolarHBondContact O-N 3.26Å; S48-G50 PolarHBondContact O-N 2.87Å; G50-L323 CarbonylContact O-C 3.58Å; G50-G325 WeakPolarHBondContact O-CA 3.39Å; G50-G325 PolarHBondContact O-N 2.87Å; G50-G325 VanDerWaalsContact O-N 3.13Å; G50-I326 VanDerWaalsContact CA-CG1 3.47Å
51P95.9Very high94.5Very high0 Ų016.6 Ų16.60%08%0.08CC..SBendtrans-65.5143.6171.8-19.733.2000112.5L45 T55 I59 D322 L323L45-P51 HydrophobicContact CB-CG 4.26Å; L45-P51 WeakPolarHBondContact O-CD 3.36Å; P51-T55 HydrophobicContact CB-CG2 3.96Å; P51-I59 HydrophobicContact CB-CD1 3.83Å; P51-I59 HydrophobicContact CG-CD1 3.5Å; P51-D322 CarbonylContact C-O 3.51Å; P51-D322 WeakPolarHBondContact CA-O 3.25Å; P51-L323 HydrophobicContact CB-CD2 4.31Å; P51-L323 HydrophobicContact CG-CD2 4.15Å
52R93.9Very high94.3Very high52 Ų5216.8 Ų16.820%0.1968%0.082CC..  trans-131.5172.1177-59.1-67.7171.6127.2-6.4111G49 N54 T55 S56 W77 D322 S324G49-R52 PolarHBondContact O-NE 3.43Å; G49-R52 PolarHBondContact O-NH2 3.49Å; R52-N54 PolarHBondContact O-N 3.18Å; R52-T55 WeakPolarHBondContact O-CB 3.19Å; R52-T55 PolarHBondContact O-N 3.02Å; R52-T55 VanDerWaalsContact O-N 3.1Å; R52-S56 WeakPolarHBondContact CA-OG 3.31Å; R52-S56 PolarHBondContact O-N 3.08Å; R52-S56 VanDerWaalsContact O-N 3.15Å; R52-S56 PolarHBondContact O-OG 3.12Å; R52-W77 VanDerWaalsContact NH2-CH2 3.34Å; R52-D322 HydrophobicContact CB-CB 4.35Å; R52-D322 PolarHBondContact N-O 3.23Å; R52-S324 WeakPolarHBondContact CG-OG 3.25Å
53K92.1Very high94Very high110 Ų11017.1 Ų17.148%0.4788%0.083SC..Hα-helixtrans47.8-131.2176.1-55.8-170-171.5114.80112.4T55 S56 L57 N74 D322K53-T55 VanDerWaalsContact C-N 3.28Å; K53-T55 PolarHBondContact O-N 3.2Å; K53-S56 PolarHBondContact N-OG 3Å; K53-S56 VanDerWaalsContact N-OG 3.14Å; K53-S56 PolarHBondContact O-N 2.91Å; K53-S56 PolarHBondContact O-OG 2.77Å; K53-L57 WeakPolarHBondContact O-CG 3.13Å; K53-L57 PolarHBondContact O-N 3.34Å; K53-L57 VanDerWaalsContact O-N 3.13Å; K53-N74 WeakPolarHBondContact CA-O 3.45Å; K53-D322 VanDerWaalsContact CD-OD2 3.28Å; K53-D322 WeakPolarHBondContact CD-OD2 3.46Å; K53-D322 WeakPolarHBondContact CE-OD2 3.45Å; K53-D322 WeakPolarHBondContact CG-OD2 3.42Å; K53-D322 IonicContact NZ-OD2 3.98Å; K53-D322 PolarHBondContact NZ-OD2 3.23Å
54N93.3Very high93.5Very high76 Ų7617.7 Ų17.741%0.4069%0.086SC..Hα-helixtrans-63.3-33-178.3-165.964.1000112.5R52 S56 L57 E58 D314R52-N54 PolarHBondContact O-N 3.18Å; N54-S56 PolarHBondContact O-N 3.46Å; N54-L57 WeakPolarHBondContact O-CB 3.26Å; N54-L57 PolarHBondContact O-N 3.33Å; N54-L57 VanDerWaalsContact O-N 3.16Å; N54-E58 PolarHBondContact ND2-OE1 3.38Å; N54-E58 WeakPolarHBondContact O-CG 3.44Å; N54-E58 PolarHBondContact O-N 3.16Å; N54-D314 WeakPolarHBondContact CB-OD2 3.49Å; N54-D314 PolarHBondContact ND2-OD2 3.3Å
55T95.1Very high92.7Very high0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-62.6-43.1176.7-46.10000111.7P51 R52 K53 I59 D314 L315 D322P51-T55 HydrophobicContact CB-CG2 3.96Å; R52-T55 WeakPolarHBondContact O-CB 3.19Å; R52-T55 PolarHBondContact O-N 3.02Å; R52-T55 VanDerWaalsContact O-N 3.1Å; K53-T55 VanDerWaalsContact C-N 3.28Å; K53-T55 PolarHBondContact O-N 3.2Å; T55-I59 HydrophobicContact CG2-CD1 4.28Å; T55-I59 WeakPolarHBondContact O-CG1 3.32Å; T55-I59 PolarHBondContact O-N 3.16Å; T55-D314 HydrophobicContact CG2-CB 4.44Å; T55-L315 HydrophobicContact CG2-CB 4.12Å; T55-L315 HydrophobicContact CG2-CD1 4.13Å; T55-D322 PolarHBondContact OG1-N 3.06Å
56S94.5Very high91.1Very high1 Ų127.6 Ų27.61%0.00713%0.131CC..Hα-helixtrans-66.1-36.2173.3450000112.8R52 K53 N54 G60R52-S56 WeakPolarHBondContact CA-OG 3.31Å; R52-S56 PolarHBondContact O-N 3.08Å; R52-S56 VanDerWaalsContact O-N 3.15Å; R52-S56 PolarHBondContact O-OG 3.12Å; K53-S56 PolarHBondContact N-OG 3Å; K53-S56 VanDerWaalsContact N-OG 3.14Å; K53-S56 PolarHBondContact O-N 2.91Å; K53-S56 PolarHBondContact O-OG 2.77Å; N54-S56 PolarHBondContact O-N 3.46Å; S56-G60 PolarHBondContact O-N 2.82Å
57L92.3Very high89.2Confident23 Ų2329.7 Ų29.712%0.1214%0.139CC..Hα-helixtrans-66.3-43.7178.4-70.2174.1000111.8K53 N54 G60 N61 L80K53-L57 WeakPolarHBondContact O-CG 3.13Å; K53-L57 PolarHBondContact O-N 3.34Å; K53-L57 VanDerWaalsContact O-N 3.13Å; N54-L57 WeakPolarHBondContact O-CB 3.26Å; N54-L57 PolarHBondContact O-N 3.33Å; N54-L57 VanDerWaalsContact O-N 3.16Å; L57-G60 PolarHBondContact O-N 3.02Å; L57-N61 VanDerWaalsContact O-CB 3.27Å; L57-N61 WeakPolarHBondContact O-CB 3.19Å; L57-N61 VanDerWaalsContact O-CG 3.28Å; L57-N61 PolarHBondContact O-N 3.45Å; L57-N61 PolarHBondContact O-ND2 2.9Å; L57-L80 HydrophobicContact CD2-CD1 3.82Å
58E94.2Very high87.3Confident28 Ų2834.4 Ų34.413%0.13116%0.164CC..Hα-helixtrans-61.8-46.4177.2-74.2-178.4175.600111.6N54 A62 G311 H313 D314N54-E58 PolarHBondContact ND2-OE1 3.38Å; N54-E58 WeakPolarHBondContact O-CG 3.44Å; N54-E58 PolarHBondContact O-N 3.16Å; E58-A62 WeakPolarHBondContact O-CB 3.35Å; E58-A62 PolarHBondContact O-N 3.34Å; E58-G311 WeakPolarHBondContact CG-O 3.32Å; E58-H313 PolarHBondContact OE2-N 3.3Å; E58-D314 PolarHBondContact OE2-N 3.36Å
59I94.5Very high85.1Confident0 Ų038.4 Ų38.40%018%0.182CC..Hα-helixtrans-64.7-47.2177.6-64.6167.8000110.5L42 L46 P51 T55 N61 A62 I63 I312 L315L42-I59 HydrophobicContact CB-CG2 4.04Å; L42-I59 HydrophobicContact CD2-CG1 4.47Å; L42-I59 HydrophobicContact CD2-CG2 4.23Å; L46-I59 HydrophobicContact CB-CG2 4.06Å; L46-I59 HydrophobicContact CD2-CB 4.34Å; L46-I59 HydrophobicContact CD2-CG2 3.92Å; P51-I59 HydrophobicContact CB-CD1 3.83Å; P51-I59 HydrophobicContact CG-CD1 3.5Å; T55-I59 HydrophobicContact CG2-CD1 4.28Å; T55-I59 WeakPolarHBondContact O-CG1 3.32Å; T55-I59 PolarHBondContact O-N 3.16Å; I59-N61 PolarHBondContact O-N 3.02Å; I59-A62 PolarHBondContact O-N 2.66Å; I59-I63 HydrophobicContact CG2-CD1 4.33Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 3.2Å; I59-I312 HydrophobicContact CG1-CD1 4.23Å; I59-I312 HydrophobicContact CG1-CG1 4.5Å; I59-I312 HydrophobicContact CG1-CG2 4.01Å; I59-L315 HydrophobicContact CD1-CD1 4.25Å; I59-L315 HydrophobicContact CD1-CD2 4.2Å
60G91.6Very high83Confident0 Ų045.3 Ų45.30%021%0.214CC..Hα-helixtrans-57.4-48.9178.200000111.8S56 L57 A62 I63 L64S56-G60 PolarHBondContact O-N 2.82Å; L57-G60 PolarHBondContact O-N 3.02Å; G60-A62 VanDerWaalsContact C-N 3.29Å; G60-A62 PolarHBondContact O-N 3.34Å; G60-I63 PolarHBondContact O-N 2.87Å; G60-L64 WeakPolarHBondContact O-CA 3.13Å; G60-L64 WeakPolarHBondContact O-CB 3.21Å; G60-L64 WeakPolarHBondContact O-CG 3.4Å; G60-L64 PolarHBondContact O-N 2.9Å
61N89.9Confident80.9Confident50 Ų5051.8 Ų51.827%0.26724%0.243SC..Hα-helixtrans-63.9-32.3177.7-77-29.5000113.2L57 I59 G65L57-N61 VanDerWaalsContact O-CB 3.27Å; L57-N61 WeakPolarHBondContact O-CB 3.19Å; L57-N61 VanDerWaalsContact O-CG 3.28Å; L57-N61 PolarHBondContact O-N 3.45Å; L57-N61 PolarHBondContact O-ND2 2.9Å; I59-N61 PolarHBondContact O-N 3.02Å; N61-G65 CarbonylContact C-O 3.59Å; N61-G65 VanDerWaalsContact CA-O 3.31Å; N61-G65 WeakPolarHBondContact CA-O 3.5Å; N61-G65 CarbonylContact O-C 3.54Å; N61-G65 WeakPolarHBondContact O-CA 3.43Å; N61-G65 PolarHBondContact O-N 3.19Å; N61-G65 VanDerWaalsContact O-N 3.11Å
62A90.7Very high78.6Confident3 Ų358.6 Ų58.63%0.02528%0.28CS..Hα-helixtrans-69.8-46.5177.100000111.8E58 I59 G60 I312E58-A62 WeakPolarHBondContact O-CB 3.35Å; E58-A62 PolarHBondContact O-N 3.34Å; I59-A62 PolarHBondContact O-N 2.66Å; G60-A62 VanDerWaalsContact C-N 3.29Å; G60-A62 PolarHBondContact O-N 3.34Å; A62-I312 HydrophobicContact CB-CD1 3.67Å; A62-I312 HydrophobicContact CB-CG1 3.74Å
63I90Very high76.8Confident7 Ų761.1 Ų61.14%0.03630%0.297CS..Hα-helixtrans-85.8-34.5-174.570.6-172.1000113.4F15 F39 L42 L46 I59 G60F15-I63 HydrophobicContact CD2-CG2 4.3Å; F15-I63 HydrophobicContact CE2-CG2 4.41Å; F39-I63 HydrophobicContact CD2-CB 4.32Å; F39-I63 HydrophobicContact CD2-CG2 4.37Å; F39-I63 HydrophobicContact CE2-CB 4.17Å; L42-I63 HydrophobicContact CB-CG2 3.81Å; L42-I63 HydrophobicContact CD1-CG2 3.93Å; L46-I63 HydrophobicContact CD2-CD1 3.95Å; I59-I63 HydrophobicContact CG2-CD1 4.33Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 3.2Å; G60-I63 PolarHBondContact O-N 2.87Å
64L84.1Confident75.1Confident13 Ų1361 Ų617%0.06830%0.302CS..Hα-helixtrans-93.2-9.3-179.2-56-178.5000112.2Y10 G60 Y67 L80 D83 L87Y10-L64 HydrophobicContact CD1-CB 3.94Å; Y10-L64 HydrophobicContact CD1-CD2 4.21Å; Y10-L64 WeakPolarHBondContact CD1-O 3.44Å; Y10-L64 HydrophobicContact CE1-CB 3.69Å; Y10-L64 HydrophobicContact CE1-CD2 4.16Å; Y10-L64 HydrophobicContact CE1-CG 4.34Å; G60-L64 WeakPolarHBondContact O-CA 3.13Å; G60-L64 WeakPolarHBondContact O-CB 3.21Å; G60-L64 WeakPolarHBondContact O-CG 3.4Å; G60-L64 PolarHBondContact O-N 2.9Å; L64-Y67 HydrophobicContact CD1-CD2 4.01Å; L64-Y67 HydrophobicContact CD1-CE2 4.18Å; L64-L80 HydrophobicContact CD1-CD2 3.82Å; L64-D83 HydrophobicContact CD1-CB 3.92Å; L64-D83 HydrophobicContact CD2-CB 4.49Å; L64-L87 HydrophobicContact CD2-CD2 3.51Å
65G77.6Confident73.5Confident6 Ų662.3 Ų62.36%0.06231%0.309CS..  trans74.1-149.1-171.500000112.2N61 Y67N61-G65 CarbonylContact C-O 3.59Å; N61-G65 VanDerWaalsContact CA-O 3.31Å; N61-G65 WeakPolarHBondContact CA-O 3.5Å; N61-G65 CarbonylContact O-C 3.54Å; N61-G65 WeakPolarHBondContact O-CA 3.43Å; N61-G65 PolarHBondContact O-N 3.19Å; N61-G65 VanDerWaalsContact O-N 3.11Å; G65-Y67 VanDerWaalsContact C-N 3.32Å; G65-Y67 PolarHBondContact O-N 3.26Å
66K64.2Low72.6Confident202 Ų20264.4 Ų64.488%0.87832%0.32SS*.  trans-71.787.6-177.9-70-174.5179.8-179.50110.6D68K66-D68 PolarHBondContact O-N 3.24Å
67Y56.4Low72.2Confident44 Ų4466.1 Ų66.117%0.17333%0.326CS..  trans-64.9114.9164.9-154.9-104000107.9L64 G65 H69 S79 L80 D83L64-Y67 HydrophobicContact CD1-CD2 4.01Å; L64-Y67 HydrophobicContact CD1-CE2 4.18Å; G65-Y67 VanDerWaalsContact C-N 3.32Å; G65-Y67 PolarHBondContact O-N 3.26Å; Y67-H69 PolarHBondContact O-N 3.19Å; Y67-S79 PolarHBondContact OH-OG 3.28Å; Y67-L80 HydrophobicContact CD1-CD2 3.99Å; Y67-L80 HydrophobicContact CD2-CD2 4Å; Y67-L80 HydrophobicContact CE1-CD2 4Å; Y67-L80 HydrophobicContact CE2-CD2 4.01Å; Y67-L80 HydrophobicContact CG-CD2 3.98Å; Y67-D83 VanDerWaalsContact CE2-OD2 3.29Å; Y67-D83 WeakPolarHBondContact CE2-OD2 3.31Å; Y67-D83 PolarHBondContact OH-OD2 2.69Å; Y67-D83 VanDerWaalsContact OH-OD2 3.13Å
68D54.5Low72.1Confident105 Ų10571.2 Ų71.256%0.56135%0.349SS*.  trans-71113.4178.1-156.3-12.2000107.8K66 H70K66-D68 PolarHBondContact O-N 3.24Å; D68-H70 PolarHBondContact O-N 2.93Å; D68-H70 IonicContact OD2-CE1 2.77Å; D68-H70 IonicContact OD2-NE2 2.92Å
69H52Low71.8Confident86 Ų8671.7 Ų71.740%0.39836%0.356SS..  trans-68.650.8-178.7-70.4-71.2000112.3Y67 H71Y67-H69 PolarHBondContact O-N 3.19Å; H69-H71 PolarHBondContact O-N 3.11Å; H69-H71 VanDerWaalsContact O-N 3.16Å
70H50.6Low71.5Confident146 Ų14671.9 Ų71.968%0.67636%0.357SS*.SBendtrans-61.3-20.3169.7-77.5-40.2000111.7D68D68-H70 PolarHBondContact O-N 2.93Å; D68-H70 IonicContact OD2-CE1 2.77Å; D68-H70 IonicContact OD2-NE2 2.92Å
71H50.6Low71.6Confident135 Ų13572.1 Ų72.163%0.62536%0.359SS*.  trans-111.192.1168.2-65.2-48.4000110.2H69 D73 D76H69-H71 PolarHBondContact O-N 3.11Å; H69-H71 VanDerWaalsContact O-N 3.16Å; H71-D73 PolarHBondContact O-N 3.46Å; H71-D76 IonicContact CD2-OD2 3.51Å
72N48.1Very low71.6Confident144 Ų14473.6 Ų73.677%0.7737%0.374SS*.  trans-71.224.7175.6-139.411.2000112.6
73D57Low71.6Confident105 Ų10574.5 Ų74.556%0.56138%0.378SS*.  trans-96.4109.6-179.3-145.6-20.2000107.3H71 N75 D76H71-D73 PolarHBondContact O-N 3.46Å; D73-N75 PolarHBondContact O-N 2.83Å; D73-D76 PolarHBondContact O-N 2.85Å
74N56.4Low71.6Confident106 Ų10674.1 Ų74.157%0.56738%0.376SS*.THydrogen-bonded Turntrans-58.41.7179.4-71.8-25.6000113.8K53K53-N74 WeakPolarHBondContact CA-O 3.45Å
75N59.6Low72Confident105 Ų10574.4 Ų74.456%0.56138%0.378SS*.THydrogen-bonded Turntrans-106.83.1178.6-71-25.4000114.1D73 W77D73-N75 PolarHBondContact O-N 2.83Å; N75-W77 PolarHBondContact O-N 2.93Å
76D76Confident72.5Confident44 Ų4478.9 Ų78.924%0.23539%0.393CS..THydrogen-bonded Turntrans-78.132.8-179.3-157.48.7000114.1H71 D73 E78 S79 L80H71-D76 IonicContact CD2-OD2 3.51Å; D73-D76 PolarHBondContact O-N 2.85Å; D76-E78 PolarHBondContact O-N 2.94Å; D76-S79 PolarHBondContact O-N 3.33Å; D76-S79 WeakPolarHBondContact OD1-CB 3.36Å; D76-L80 PolarHBondContact O-N 2.92Å
77W86Confident73.7Confident36 Ų3669.3 Ų69.314%0.13635%0.352CS..Hα-helixtrans-63.2-25.1175.674.3-85.7000111.2R52 N75 L80 A81R52-W77 VanDerWaalsContact NH2-CH2 3.34Å; N75-W77 PolarHBondContact O-N 2.93Å; W77-L80 PolarHBondContact O-N 3.32Å; W77-A81 HydrophobicContact CE3-CB 3.91Å; W77-A81 HydrophobicContact CZ3-CB 3.87Å; W77-A81 VanDerWaalsContact O-CB 3.22Å; W77-A81 WeakPolarHBondContact O-CB 3.34Å; W77-A81 PolarHBondContact O-N 2.87Å
78E89.6Confident75.3Confident130 Ų13067.8 Ų67.861%0.60735%0.346SS*.Hα-helixtrans-64.1-43.3178.9-70.5179.9-175.300111.8D76 A81 S82D76-E78 PolarHBondContact O-N 2.94Å; E78-A81 PolarHBondContact O-N 3.1Å; E78-S82 PolarHBondContact O-N 2.83Å
79S87.9Confident76.9Confident39 Ų3967.8 Ų67.827%0.27334%0.338SS..Hα-helixtrans-64.7-46.8175.4-172.50000110.8Y67 D76 A81 S82 D83Y67-S79 PolarHBondContact OH-OG 3.28Å; D76-S79 PolarHBondContact O-N 3.33Å; D76-S79 WeakPolarHBondContact OD1-CB 3.36Å; S79-A81 VanDerWaalsContact C-N 3.3Å; S79-A81 PolarHBondContact O-N 2.87Å; S79-S82 PolarHBondContact O-N 3.04Å; S79-D83 PolarHBondContact O-N 3.44Å
80L89.7Confident78.5Confident3 Ų365.6 Ų65.62%0.01633%0.332CS..Hα-helixtrans-59.5-39.5175.6-71.2177.1000112.6L46 L57 L64 Y67 D76 W77 S84L46-L80 HydrophobicContact CD1-CB 4.28Å; L46-L80 HydrophobicContact CD2-CB 4.24Å; L46-L80 HydrophobicContact CG-CB 4.49Å; L57-L80 HydrophobicContact CD2-CD1 3.82Å; L64-L80 HydrophobicContact CD1-CD2 3.82Å; Y67-L80 HydrophobicContact CD1-CD2 3.99Å; Y67-L80 HydrophobicContact CD2-CD2 4Å; Y67-L80 HydrophobicContact CE1-CD2 4Å; Y67-L80 HydrophobicContact CE2-CD2 4.01Å; Y67-L80 HydrophobicContact CG-CD2 3.98Å; D76-L80 PolarHBondContact O-N 2.92Å; W77-L80 PolarHBondContact O-N 3.32Å; L80-S84 VanDerWaalsContact O-CB 3.3Å; L80-S84 WeakPolarHBondContact O-CB 3.31Å; L80-S84 PolarHBondContact O-N 2.8Å; L80-S84 PolarHBondContact O-OG 3.09Å
81A92.6Very high80.1Confident6 Ų658.7 Ų58.75%0.0530%0.3CS..Hα-helixtrans-64.3-45.9176.600000110.9L46 G47 W77 E78 S79 S84 V85L46-A81 VanDerWaalsContact O-CB 3.25Å; L46-A81 WeakPolarHBondContact O-CB 3.24Å; G47-A81 WeakPolarHBondContact CA-O 3.45Å; W77-A81 HydrophobicContact CE3-CB 3.91Å; W77-A81 HydrophobicContact CZ3-CB 3.87Å; W77-A81 VanDerWaalsContact O-CB 3.22Å; W77-A81 WeakPolarHBondContact O-CB 3.34Å; W77-A81 PolarHBondContact O-N 2.87Å; E78-A81 PolarHBondContact O-N 3.1Å; S79-A81 VanDerWaalsContact C-N 3.3Å; S79-A81 PolarHBondContact O-N 2.87Å; A81-S84 WeakPolarHBondContact O-CB 3.42Å; A81-S84 PolarHBondContact O-N 3.44Å; A81-V85 WeakPolarHBondContact O-CG2 3.07Å; A81-V85 PolarHBondContact O-N 2.87Å
82S90.9Very high81.8Confident81 Ų8153.7 Ų53.757%0.56628%0.278SS*.Hα-helixtrans-60.8-46.7177.5-1670000112.1E78 S79 S84 V85 W86E78-S82 PolarHBondContact O-N 2.83Å; S79-S82 PolarHBondContact O-N 3.04Å; S82-S84 VanDerWaalsContact C-N 3.29Å; S82-S84 PolarHBondContact O-N 2.93Å; S82-V85 PolarHBondContact O-N 3.19Å; S82-W86 PolarHBondContact O-N 3.44Å; S82-W86 VanDerWaalsContact O-N 3.08Å
83D89.1Confident83.5Confident21 Ų2151.7 Ų51.711%0.11227%0.268CS..Hα-helixtrans-61.5-38.8176.4-72.6-22.6000111.2I5 L64 Y67 S79 W86 L87I5-D83 HydrophobicContact CD1-CB 4.18Å; I5-D83 WeakPolarHBondContact CG2-OD1 3.49Å; L64-D83 HydrophobicContact CD1-CB 3.92Å; L64-D83 HydrophobicContact CD2-CB 4.49Å; Y67-D83 VanDerWaalsContact CE2-OD2 3.29Å; Y67-D83 WeakPolarHBondContact CE2-OD2 3.31Å; Y67-D83 PolarHBondContact OH-OD2 2.69Å; Y67-D83 VanDerWaalsContact OH-OD2 3.13Å; S79-D83 PolarHBondContact O-N 3.44Å; D83-W86 PolarHBondContact O-N 3.03Å; D83-L87 VanDerWaalsContact O-CB 3.28Å; D83-L87 WeakPolarHBondContact O-CB 2.77Å; D83-L87 PolarHBondContact O-N 3.35Å
84S90.9Very high84.8Confident0 Ų048.3 Ų48.30%025%0.252CS..Hα-helixtrans-66.1-43.3177.4-59.90000112.9L46 L80 A81 S82 W86 L87 Y88L46-S84 WeakPolarHBondContact CD2-OG 3.35Å; L46-S84 WeakPolarHBondContact CG-OG 3.18Å; L80-S84 VanDerWaalsContact O-CB 3.3Å; L80-S84 WeakPolarHBondContact O-CB 3.31Å; L80-S84 PolarHBondContact O-N 2.8Å; L80-S84 PolarHBondContact O-OG 3.09Å; A81-S84 WeakPolarHBondContact O-CB 3.42Å; A81-S84 PolarHBondContact O-N 3.44Å; S82-S84 VanDerWaalsContact C-N 3.29Å; S82-S84 PolarHBondContact O-N 2.93Å; S84-W86 VanDerWaalsContact C-N 3.32Å; S84-W86 PolarHBondContact O-N 2.83Å; S84-L87 PolarHBondContact O-N 3Å; S84-Y88 WeakPolarHBondContact O-CB 3.47Å; S84-Y88 PolarHBondContact O-N 3.39Å
85V92.7Very high86.1Confident19 Ų1943.3 Ų43.312%0.11523%0.225CC..Hα-helixtrans-59.9-46.2175.2171.60000110.1A81 S82 Y88 R89 Y135 F136A81-V85 WeakPolarHBondContact O-CG2 3.07Å; A81-V85 PolarHBondContact O-N 2.87Å; S82-V85 PolarHBondContact O-N 3.19Å; V85-Y88 PolarHBondContact O-N 3.05Å; V85-R89 WeakPolarHBondContact O-CG 3.25Å; V85-R89 PolarHBondContact O-N 2.88Å; V85-Y135 HydrophobicContact CG1-CD1 4.36Å; V85-Y135 HydrophobicContact CG1-CD2 4.24Å; V85-Y135 HydrophobicContact CG1-CG 3.97Å; V85-Y135 HydrophobicContact CG2-CD2 3.77Å; V85-Y135 HydrophobicContact CG2-CE2 4.44Å; V85-Y135 HydrophobicContact CG2-CG 4.22Å; V85-F136 HydrophobicContact CB-CZ 4.32Å; V85-F136 HydrophobicContact CG2-CE2 4.05Å; V85-F136 HydrophobicContact CG2-CZ 3.63Å
86W88.3Confident87.2Confident99 Ų9940 Ų4038%0.37521%0.211SC..Hα-helixtrans-65.4-43.9-179.4-171.397.6000111.9I3 R4 I5 S82 D83 S84 R89 S90I3-W86 HydrophobicContact CB-CH2 4.48Å; I3-W86 HydrophobicContact CB-CZ3 4.08Å; I3-W86 HydrophobicContact CG2-CE3 4.38Å; I3-W86 HydrophobicContact CG2-CH2 3.4Å; I3-W86 VanDerWaalsContact CG2-CH2 3.4Å; I3-W86 HydrophobicContact CG2-CZ3 3.19Å; R4-W86 WeakPolarHBondContact O-CH2 3.37Å; R4-W86 WeakPolarHBondContact O-CZ2 2.88Å; I5-W86 HydrophobicContact CB-CE3 4.32Å; I5-W86 HydrophobicContact CB-CZ3 4.39Å; I5-W86 HydrophobicContact CD1-CD2 4.34Å; I5-W86 HydrophobicContact CD1-CE3 3.57Å; I5-W86 HydrophobicContact CD1-CZ3 3.99Å; I5-W86 HydrophobicContact CG1-CD2 3.96Å; I5-W86 HydrophobicContact CG1-CE3 3.28Å; I5-W86 HydrophobicContact CG1-CH2 4.08Å; I5-W86 HydrophobicContact CG1-CZ3 3.32Å; I5-W86 HydrophobicContact CG2-CD2 4.25Å; I5-W86 HydrophobicContact CG2-CE3 4.4Å; I5-W86 HydrophobicContact CG2-CG 4.32Å; S82-W86 PolarHBondContact O-N 3.44Å; S82-W86 VanDerWaalsContact O-N 3.08Å; D83-W86 PolarHBondContact O-N 3.03Å; S84-W86 VanDerWaalsContact C-N 3.32Å; S84-W86 PolarHBondContact O-N 2.83Å; W86-R89 PolarHBondContact O-N 2.77Å; W86-S90 VanDerWaalsContact O-CB 3.32Å; W86-S90 WeakPolarHBondContact O-CB 3.43Å; W86-S90 PolarHBondContact O-N 2.82Å; W86-S90 PolarHBondContact O-OG 2.96Å
87L87.9Confident87.4Confident2 Ų241.2 Ų41.21%0.0123%0.227CC..Hα-helixtrans-63.6-42.9178.9179.759000111.4I3 I5 F39 L64 D83 S84 T91I3-L87 HydrophobicContact CD1-CD1 3.81Å; I5-L87 HydrophobicContact CD1-CB 4.23Å; F39-L87 HydrophobicContact CE1-CG 4.43Å; F39-L87 HydrophobicContact CE2-CD2 3.88Å; F39-L87 HydrophobicContact CE2-CG 4.42Å; F39-L87 HydrophobicContact CZ-CD1 4.12Å; F39-L87 HydrophobicContact CZ-CD2 3.58Å; F39-L87 HydrophobicContact CZ-CG 3.62Å; L64-L87 HydrophobicContact CD2-CD2 3.51Å; D83-L87 VanDerWaalsContact O-CB 3.28Å; D83-L87 WeakPolarHBondContact O-CB 2.77Å; D83-L87 PolarHBondContact O-N 3.35Å; S84-L87 PolarHBondContact O-N 3Å; L87-T91 VanDerWaalsContact O-CB 3.3Å; L87-T91 WeakPolarHBondContact O-CB 3.34Å; L87-T91 PolarHBondContact O-N 3.23Å; L87-T91 VanDerWaalsContact O-N 3.11Å; L87-T91 PolarHBondContact O-OG1 2.83Å
88Y90.6Very high87.3Confident11 Ų1141.6 Ų41.64%0.04323%0.23CC..Hα-helixtrans-56.1-57.1173.4-179.1-83.7000110.8F40 C43 S84 V85 T91 L92 F136F40-Y88 HydrophobicContact CB-CD2 4.06Å; F40-Y88 HydrophobicContact CB-CE2 3.71Å; F40-Y88 AromaticContact CD1-CD2 3.45Å; F40-Y88 HydrophobicContact CD1-CD2 3.45Å; F40-Y88 VanDerWaalsContact CD1-CD2 3.45Å; F40-Y88 AromaticContact CD1-CE2 3.65Å; F40-Y88 HydrophobicContact CD1-CE2 3.65Å; F40-Y88 HydrophobicContact CD1-CG 4.09Å; F40-Y88 HydrophobicContact CE1-CD2 4.34Å; F40-Y88 HydrophobicContact CG-CD2 4.2Å; F40-Y88 HydrophobicContact CG-CE2 4.03Å; C43-Y88 HydrophobicContact CB-CD2 3.92Å; C43-Y88 HydrophobicContact CB-CG 4.43Å; S84-Y88 WeakPolarHBondContact O-CB 3.47Å; S84-Y88 PolarHBondContact O-N 3.39Å; V85-Y88 PolarHBondContact O-N 3.05Å; Y88-T91 PolarHBondContact O-N 3.41Å; Y88-L92 HydrophobicContact CD1-CB 4.44Å; Y88-L92 HydrophobicContact CD1-CD2 4.28Å; Y88-L92 HydrophobicContact CE1-CB 4.3Å; Y88-L92 HydrophobicContact CE1-CD2 3.37Å; Y88-L92 HydrophobicContact CE1-CG 4.47Å; Y88-L92 VanDerWaalsContact O-CB 3.23Å; Y88-L92 WeakPolarHBondContact O-CB 3.24Å; Y88-L92 PolarHBondContact O-N 2.87Å; Y88-L92 WeakPolarHBondContact OH-CD2 3.3Å; Y88-F136 AromaticContact CD1-CD1 3.5Å; Y88-F136 HydrophobicContact CD1-CD1 3.5Å; Y88-F136 AromaticContact CD1-CE1 3.81Å; Y88-F136 HydrophobicContact CD1-CE1 3.81Å; Y88-F136 AromaticContact CD2-CD1 3.5Å; Y88-F136 HydrophobicContact CD2-CD1 3.5Å; Y88-F136 AromaticContact CD2-CE1 3.65Å; Y88-F136 HydrophobicContact CD2-CE1 3.65Å; Y88-F136 HydrophobicContact CE1-CB 4.41Å; Y88-F136 AromaticContact CE1-CD1 3.6Å; Y88-F136 HydrophobicContact CE1-CD1 3.6Å; Y88-F136 HydrophobicContact CE1-CE1 4.36Å; Y88-F136 HydrophobicContact CE1-CG 4.46Å; Y88-F136 AromaticContact CE2-CD1 3.6Å; Y88-F136 HydrophobicContact CE2-CD1 3.6Å; Y88-F136 HydrophobicContact CE2-CE1 4.22Å; Y88-F136 AromaticContact CG-CD1 3.48Å; Y88-F136 HydrophobicContact CG-CD1 3.48Å; Y88-F136 VanDerWaalsContact CG-CD1 3.48Å; Y88-F136 AromaticContact CG-CE1 3.43Å; Y88-F136 HydrophobicContact CG-CE1 3.43Å; Y88-F136 VanDerWaalsContact CG-CE1 3.43Å; Y88-F136 AromaticContact CZ-CD1 3.66Å
89R89.2Confident87Confident105 Ų10539.1 Ų39.140%0.39622%0.22SC..Hα-helixtrans-63.4-47.8-174.5-74-175.3167-155.6-5.9111.8V85 W86 T91 L92 D93 E134 Y135V85-R89 WeakPolarHBondContact O-CG 3.25Å; V85-R89 PolarHBondContact O-N 2.88Å; W86-R89 PolarHBondContact O-N 2.77Å; R89-T91 VanDerWaalsContact C-N 3.28Å; R89-T91 PolarHBondContact O-N 3.49Å; R89-L92 PolarHBondContact O-N 2.79Å; R89-D93 WeakPolarHBondContact O-CB 3.39Å; R89-D93 PolarHBondContact O-N 3.38Å; R89-E134 PolarHBondContact NH2-O 3.36Å; R89-Y135 PolarHBondContact NE-O 2.85Å; R89-Y135 VanDerWaalsContact NE-O 3.16Å; R89-Y135 PolarHBondContact NH2-O 3.28Å
90S85.5Confident86.9Confident40 Ų4037.5 Ų37.528%0.2821%0.209SC..Hα-helixtrans-60.9-38.4-179.2-56.10000112.4W86 S94W86-S90 VanDerWaalsContact O-CB 3.32Å; W86-S90 WeakPolarHBondContact O-CB 3.43Å; W86-S90 PolarHBondContact O-N 2.82Å; W86-S90 PolarHBondContact O-OG 2.96Å; S90-S94 PolarHBondContact O-N 3.03Å
91T84.2Confident86.4Confident1 Ų143.1 Ų43.11%0.00623%0.23CC..Hα-helixtrans-77.6-45.4179.3-48.60000111.4I3 F36 F39 F40 L87 Y88 R89 S94 L95I3-T91 WeakPolarHBondContact CD1-OG1 3.5Å; F36-T91 HydrophobicContact CE1-CG2 4.32Å; F39-T91 HydrophobicContact CE1-CG2 4.35Å; F40-T91 HydrophobicContact CE1-CG2 4.2Å; F40-T91 HydrophobicContact CZ-CG2 3.87Å; L87-T91 VanDerWaalsContact O-CB 3.3Å; L87-T91 WeakPolarHBondContact O-CB 3.34Å; L87-T91 PolarHBondContact O-N 3.23Å; L87-T91 VanDerWaalsContact O-N 3.11Å; L87-T91 PolarHBondContact O-OG1 2.83Å; Y88-T91 PolarHBondContact O-N 3.41Å; R89-T91 VanDerWaalsContact C-N 3.28Å; R89-T91 PolarHBondContact O-N 3.49Å; T91-S94 PolarHBondContact O-N 2.86Å; T91-L95 HydrophobicContact CG2-CD1 4.12Å; T91-L95 WeakPolarHBondContact O-CG 3.25Å; T91-L95 PolarHBondContact O-N 2.94Å
92L86Confident85.5Confident31 Ų3143.3 Ų43.316%0.16223%0.23CC..Hα-helixtrans-67.5-42-179.1-17663.7000111.6F40 Y88 R89 S94 L95 S96 L112F40-L92 HydrophobicContact CE1-CB 3.79Å; F40-L92 HydrophobicContact CE2-CD1 4.34Å; F40-L92 HydrophobicContact CZ-CB 4.01Å; F40-L92 HydrophobicContact CZ-CD1 4.16Å; Y88-L92 HydrophobicContact CD1-CB 4.44Å; Y88-L92 HydrophobicContact CD1-CD2 4.28Å; Y88-L92 HydrophobicContact CE1-CB 4.3Å; Y88-L92 HydrophobicContact CE1-CD2 3.37Å; Y88-L92 HydrophobicContact CE1-CG 4.47Å; Y88-L92 VanDerWaalsContact O-CB 3.23Å; Y88-L92 WeakPolarHBondContact O-CB 3.24Å; Y88-L92 PolarHBondContact O-N 2.87Å; Y88-L92 WeakPolarHBondContact OH-CD2 3.3Å; R89-L92 PolarHBondContact O-N 2.79Å; L92-S94 VanDerWaalsContact C-N 3.26Å; L92-S94 PolarHBondContact O-N 3.23Å; L92-L95 PolarHBondContact O-N 3.18Å; L92-L95 VanDerWaalsContact O-N 3.17Å; L92-S96 VanDerWaalsContact O-CB 3.24Å; L92-S96 WeakPolarHBondContact O-CB 3.49Å; L92-S96 PolarHBondContact O-N 2.99Å; L92-S96 PolarHBondContact O-OG 3.08Å; L92-L112 HydrophobicContact CD1-CD2 4.04Å
93D83.7Confident84.8Confident102 Ų10243 Ų4355%0.54522%0.223SC..Hα-helixtrans-61-39.8177.6-70.6-15.2000110.5R89 A97R89-D93 WeakPolarHBondContact O-CB 3.39Å; R89-D93 PolarHBondContact O-N 3.38Å; D93-A97 WeakPolarHBondContact O-CB 3.36Å; D93-A97 PolarHBondContact O-N 3.31Å
94S83.9Confident84.2Confident34 Ų3449.8 Ų49.824%0.23826%0.259CS..Hα-helixtrans-64.2-43.3174.7-179.50000112.2S90 T91 L92 R249S90-S94 PolarHBondContact O-N 3.03Å; T91-S94 PolarHBondContact O-N 2.86Å; L92-S94 VanDerWaalsContact C-N 3.26Å; L92-S94 PolarHBondContact O-N 3.23Å; S94-R249 PolarHBondContact O-NH1 3.34Å; S94-R249 PolarHBondContact O-NH2 3.4Å; S94-R249 PolarHBondContact OG-NH2 2.95Å
95L84.6Confident83.7Confident0 Ų056.7 Ų56.70%029%0.291CS..Hα-helixtrans-79.2-42.1-175.8-71.1177.2000113.2F36 F40 T91 L92 I110 L387 L391F36-L95 HydrophobicContact CD1-CD1 3.9Å; F36-L95 HydrophobicContact CE1-CD1 3.92Å; F40-L95 HydrophobicContact CE2-CD1 4.21Å; F40-L95 HydrophobicContact CZ-CD1 4.09Å; T91-L95 HydrophobicContact CG2-CD1 4.12Å; T91-L95 WeakPolarHBondContact O-CG 3.25Å; T91-L95 PolarHBondContact O-N 2.94Å; L92-L95 PolarHBondContact O-N 3.18Å; L92-L95 VanDerWaalsContact O-N 3.17Å; L95-I110 HydrophobicContact CB-CD1 3.75Å; L95-I110 HydrophobicContact CD2-CD1 3.72Å; L95-I110 HydrophobicContact CG-CD1 4.22Å; L95-L387 HydrophobicContact CD2-CD1 3.91Å; L95-L387 HydrophobicContact CG-CD1 4.29Å; L95-L391 HydrophobicContact CD2-CD2 3.93Å
96S80.9Confident83.2Confident37 Ų3760.6 Ų60.626%0.25931%0.311SS..Hα-helixtrans-83.5-15.8-172.266.80000114.3L92 E98L92-S96 VanDerWaalsContact O-CB 3.24Å; L92-S96 WeakPolarHBondContact O-CB 3.49Å; L92-S96 PolarHBondContact O-N 2.99Å; L92-S96 PolarHBondContact O-OG 3.08Å; S96-E98 PolarHBondContact O-N 2.96Å
97A81.6Confident82.9Confident69 Ų6957.2 Ų57.257%0.5730%0.302SS*.THydrogen-bonded Turntrans-67.1-15.4172.800000113D93 I99D93-A97 WeakPolarHBondContact O-CB 3.36Å; D93-A97 PolarHBondContact O-N 3.31Å; A97-I99 PolarHBondContact O-N 3.03Å
98E84Confident82.6Confident43 Ų4362.2 Ų62.220%0.20133%0.325CS..  trans-77.6120.5-177-61.6-58.1154.500112.1S96 V109 N247 R249 F250S96-E98 PolarHBondContact O-N 2.96Å; E98-V109 HydrophobicContact CB-CB 4.14Å; E98-V109 HydrophobicContact CB-CG2 4.27Å; E98-V109 PolarHBondContact O-N 3.04Å; E98-N247 PolarHBondContact OE2-ND2 3.21Å; E98-R249 IonicContact OE1-CZ 2.85Å; E98-R249 IonicContact OE1-NH1 3.99Å; E98-R249 PolarHBondContact OE1-NH1 3.27Å; E98-F250 HydrophobicContact CB-CE2 4Å; E98-F250 HydrophobicContact CB-CZ 4.29Å; E98-F250 HydrophobicContact CG-CE2 3.93Å; E98-F250 HydrophobicContact CG-CZ 3.9Å
99I83.7Confident82.4Confident79 Ų7961.7 Ų61.741%0.40532%0.323SS..EExtended strand (participates in β ladder)trans-116.2150.6177.755.1165.5000110.1A97 L106 S107A97-I99 PolarHBondContact O-N 3.03Å; I99-L106 HydrophobicContact CB-CD2 4.43Å; I99-L106 HydrophobicContact CB-CG 4.35Å; I99-L106 HydrophobicContact CD1-CD1 3.65Å; I99-L106 HydrophobicContact CD1-CG 4.31Å; I99-L106 HydrophobicContact CG2-CD2 4.06Å; I99-S107 WeakPolarHBondContact CA-O 3.26Å
100T84.3Confident82.2Confident5 Ų557 Ų573%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-132.1169.1171.6-171.50000110I102 S107 V109 D193T100-I102 HydrophobicContact CG2-CD1 3.98Å; T100-I102 HydrophobicContact CG2-CG1 4.01Å; T100-S107 PolarHBondContact N-O 2.89Å; T100-S107 PolarHBondContact O-N 3.15Å; T100-V109 HydrophobicContact CG2-CG2 3.75Å; T100-D193 VanDerWaalsContact CB-OD1 3.24Å; T100-D193 WeakPolarHBondContact CB-OD1 3.45Å; T100-D193 PolarHBondContact OG1-OD1 3.45Å
101Y79.2Confident82Confident121 Ų12156.1 Ų56.148%0.47530%0.299SS..EExtended strand (participates in β ladder)trans-117.8117.6176.3-69.9-89.3000109.8E105 L106 K246Y101-E105 WeakPolarHBondContact CA-O 3.45Å; Y101-L106 HydrophobicContact CD1-CB 4.39Å; Y101-L106 HydrophobicContact CE1-CB 4.1Å; Y101-L106 HydrophobicContact CE1-CD1 4.12Å; Y101-L106 HydrophobicContact CE1-CG 4.49Å; Y101-K246 PolarHBondContact O-NZ 2.48Å
102I74.1Confident81.9Confident9 Ų957.8 Ų57.85%0.04631%0.308CS..EExtended strand (participates in β ladder)trans-122123.4179.9-56.7179.9000106.6T100 N104 E105 K192 V194 A352T100-I102 HydrophobicContact CG2-CD1 3.98Å; T100-I102 HydrophobicContact CG2-CG1 4.01Å; I102-N104 PolarHBondContact O-N 2.9Å; I102-N104 VanDerWaalsContact O-N 3.15Å; I102-E105 PolarHBondContact N-O 3.22Å; I102-E105 PolarHBondContact O-N 3.47Å; I102-K192 HydrophobicContact CD1-CD 3.79Å; I102-K192 VanDerWaalsContact CD1-CE 3.49Å; I102-K192 HydrophobicContact CD1-CG 3.72Å; I102-V194 HydrophobicContact CD1-CG1 4.3Å; I102-V194 HydrophobicContact CG1-CG1 3.96Å; I102-A352 HydrophobicContact CD1-CB 4.41Å; I102-A352 HydrophobicContact CG2-CB 3.52Å
103D77Confident81.6Confident76 Ų7656.6 Ų56.641%0.40630%0.303SS..THydrogen-bonded Turntrans52.633.4-175.2-55.7-64.2000114.9E105 R353D103-E105 PolarHBondContact O-N 2.92Å; D103-R353 VanDerWaalsContact OD1-C 3.24Å; D103-R353 WeakPolarHBondContact OD2-CB 3.49Å
104N76.5Confident81.8Confident162 Ų16252.1 Ų52.187%0.86628%0.279SS*.THydrogen-bonded Turntrans65.711-172.8-51.5-56.2000115.3I102I102-N104 PolarHBondContact O-N 2.9Å; I102-N104 VanDerWaalsContact O-N 3.15Å
105E80Confident82.1Confident146 Ų14650.5 Ų50.568%0.68227%0.267SS*.EExtended strand (participates in β ladder)trans-100.7137.2170.7-63.3-171.8169.100110.3Y101 I102 D103Y101-E105 WeakPolarHBondContact CA-O 3.45Å; I102-E105 PolarHBondContact N-O 3.22Å; I102-E105 PolarHBondContact O-N 3.47Å; D103-E105 PolarHBondContact O-N 2.92Å
106L83.2Confident82.6Confident101 Ų10150.5 Ų50.553%0.52927%0.267SS..EExtended strand (participates in β ladder)trans-73.9126.8175.8-173.3142.3000108.9I99 Y101I99-L106 HydrophobicContact CB-CD2 4.43Å; I99-L106 HydrophobicContact CB-CG 4.35Å; I99-L106 HydrophobicContact CD1-CD1 3.65Å; I99-L106 HydrophobicContact CD1-CG 4.31Å; I99-L106 HydrophobicContact CG2-CD2 4.06Å; Y101-L106 HydrophobicContact CD1-CB 4.39Å; Y101-L106 HydrophobicContact CE1-CB 4.1Å; Y101-L106 HydrophobicContact CE1-CD1 4.12Å; Y101-L106 HydrophobicContact CE1-CG 4.49Å
107S81.1Confident83.4Confident27 Ų2748.8 Ų48.819%0.18926%0.255CS..EExtended strand (participates in β ladder)trans-132141.1-178.4-150.40000109.5I99 T100 K192I99-S107 WeakPolarHBondContact CA-O 3.26Å; T100-S107 PolarHBondContact N-O 2.89Å; T100-S107 PolarHBondContact O-N 3.15Å; S107-K192 PolarHBondContact OG-NZ 3.46Å
108Q82Confident84.1Confident108 Ų10845.5 Ų45.551%0.50523%0.228SC..EExtended strand (participates in β ladder)trans-69.9136.5171.8-74.1179.3-36.300109.7
109V85.1Confident84.7Confident0 Ų043.7 Ų43.70%022%0.22CC..SBendtrans-74.9-36.1179176.80000111E98 T100 F191 K192 D193 F250E98-V109 HydrophobicContact CB-CB 4.14Å; E98-V109 HydrophobicContact CB-CG2 4.27Å; E98-V109 PolarHBondContact O-N 3.04Å; T100-V109 HydrophobicContact CG2-CG2 3.75Å; V109-F191 HydrophobicContact CG1-CD2 3.79Å; V109-F191 HydrophobicContact CG1-CE2 3.39Å; V109-F191 HydrophobicContact CG1-CZ 3.89Å; V109-F191 CarbonylContact O-C 3.54Å; V109-F191 VanDerWaalsContact O-CA 3.3Å; V109-F191 WeakPolarHBondContact O-CA 3.25Å; V109-K192 VanDerWaalsContact CA-O 3.31Å; V109-K192 WeakPolarHBondContact CA-O 3.18Å; V109-K192 PolarHBondContact O-N 2.87Å; V109-D193 HydrophobicContact CG1-CB 4.34Å; V109-F250 HydrophobicContact CB-CE2 4.39Å; V109-F250 HydrophobicContact CG1-CD2 3.89Å; V109-F250 HydrophobicContact CG1-CE2 3.67Å; V109-F250 HydrophobicContact CG1-CZ 4.48Å
110I85.4Confident85.3Confident5 Ų543.7 Ų43.73%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-118.4131.8-179.7-65.5174.7000108.7L95 F189 Y190 F191 F250 L391L95-I110 HydrophobicContact CB-CD1 3.75Å; L95-I110 HydrophobicContact CD2-CD1 3.72Å; L95-I110 HydrophobicContact CG-CD1 4.22Å; I110-F189 HydrophobicContact CD1-CZ 4.4Å; I110-F189 HydrophobicContact CG1-CZ 4.48Å; I110-F189 HydrophobicContact CG2-CD2 4.4Å; I110-F189 HydrophobicContact CG2-CE2 3.51Å; I110-F189 HydrophobicContact CG2-CZ 3.67Å; I110-Y190 WeakPolarHBondContact CA-O 3.34Å; I110-F191 HydrophobicContact CG1-CD2 4.17Å; I110-F250 HydrophobicContact CD1-CE1 4.33Å; I110-F250 HydrophobicContact CD1-CZ 4.04Å; I110-L391 HydrophobicContact CD1-CD1 3.84Å
111T80.8Confident85.7Confident23 Ų2349.5 Ų49.514%0.14125%0.252CS..EExtended strand (participates in β ladder)trans-124.1125.5170.1-52.90000108.8K162 Y190T111-K162 WeakPolarHBondContact CG2-O 3.24Å; T111-Y190 PolarHBondContact N-O 3.26Å; T111-Y190 PolarHBondContact O-N 2.75Å
112L82.3Confident86.4Confident35 Ų3544.1 Ų44.118%0.18323%0.231CC..EExtended strand (participates in β ladder)trans-115.1137174.2173.771.7000108.3F40 L92 F189F40-L112 HydrophobicContact CB-CD1 4.34Å; F40-L112 HydrophobicContact CB-CD2 3.6Å; F40-L112 HydrophobicContact CD1-CD2 4.44Å; F40-L112 HydrophobicContact CD2-CD1 4.01Å; F40-L112 HydrophobicContact CD2-CD2 3.39Å; F40-L112 HydrophobicContact CD2-CG 4.29Å; F40-L112 HydrophobicContact CE2-CD2 4.14Å; F40-L112 HydrophobicContact CG-CD2 3.57Å; L92-L112 HydrophobicContact CD1-CD2 4.04Å; L112-F189 HydrophobicContact CD1-CD2 4.21Å
113A80.4Confident87.4Confident7 Ų750.6 Ų50.66%0.05826%0.261CS..EExtended strand (participates in β ladder)trans-141.1116.7169.100000109.7W158 K162 S187 V188A113-W158 HydrophobicContact CB-CH2 3.81Å; A113-W158 HydrophobicContact CB-CZ2 4.36Å; A113-W158 HydrophobicContact CB-CZ3 4.46Å; A113-K162 HydrophobicContact CB-CB 3.63Å; A113-K162 HydrophobicContact CB-CD 4.3Å; A113-K162 HydrophobicContact CB-CG 3.93Å; A113-S187 WeakPolarHBondContact O-CA 3.46Å; A113-V188 PolarHBondContact N-O 2.89Å; A113-V188 PolarHBondContact O-N 3.35Å
114N87.5Confident88.4Confident8 Ų847.5 Ų47.54%0.04325%0.245CC..EExtended strand (participates in β ladder)trans-108.9143.7168.7-47.1-54.9000110.3G37 M41 E138 W158 F186 S187G37-N114 PolarHBondContact O-OD1 2.87Å; M41-N114 HydrophobicContact CB-CB 4.22Å; M41-N114 HydrophobicContact CE-CB 3.74Å; M41-N114 HydrophobicContact SD-CB 3.7Å; N114-E138 VanDerWaalsContact CB-OE1 3.32Å; N114-E138 WeakPolarHBondContact CB-OE1 3.49Å; N114-E138 PolarHBondContact ND2-OE1 2.98Å; N114-W158 WeakPolarHBondContact O-CH2 3.17Å; N114-W158 VanDerWaalsContact O-CZ2 3.24Å; N114-W158 WeakPolarHBondContact O-CZ2 3.28Å; N114-F186 CarbonylContact C-O 3.51Å; N114-F186 VanDerWaalsContact CA-O 3.3Å; N114-F186 WeakPolarHBondContact CA-O 3.5Å; N114-S187 WeakPolarHBondContact OD1-CB 3.41Å; N114-S187 PolarHBondContact OD1-OG 3.45Å
115G90.8Very high89.3Confident0 Ų042.7 Ų42.70%022%0.219CC..EExtended strand (participates in β ladder)trans-131.5118.8-178.400000110L185 F186G115-L185 WeakPolarHBondContact O-CA 3.29Å; G115-F186 PolarHBondContact N-O 3.38Å; G115-F186 PolarHBondContact O-N 2.93Å
116I95.7Very high90.1Very high0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-97.6115.6170.6-52.4-178.5000107.5M41 L45 F128 L132 I140 H141 L183 L185M41-I116 HydrophobicContact CE-CD1 3.76Å; M41-I116 HydrophobicContact CE-CG1 3.66Å; M41-I116 HydrophobicContact SD-CD1 4.43Å; M41-I116 HydrophobicContact SD-CG1 3.79Å; L45-I116 HydrophobicContact CD2-CD1 3.77Å; I116-F128 HydrophobicContact CD1-CZ 4.16Å; I116-L132 HydrophobicContact CD1-CD1 4.14Å; I116-L132 HydrophobicContact CD1-CD2 3.82Å; I116-I140 HydrophobicContact CB-CG1 4.15Å; I116-I140 HydrophobicContact CG2-CD1 3.83Å; I116-I140 HydrophobicContact CG2-CG1 3.77Å; I116-H141 PolarHBondContact O-N 2.84Å; I116-L183 HydrophobicContact CG2-CD1 3.59Å; I116-L185 HydrophobicContact CB-CD2 4.25Å; I116-L185 HydrophobicContact CG1-CD2 3.97Å; I116-L185 HydrophobicContact CG2-CD2 3.92Å
117Y96.6Very high90.8Very high0 Ų038.4 Ų38.40%021%0.208CC..EExtended strand (participates in β ladder)trans-113.3116.2179.8-71.9-103.1000109.9H141 V143 T154 I155 W158 L183 N184 F186Y117-H141 CarbonylContact C-O 3.51Å; Y117-H141 VanDerWaalsContact CA-O 3.27Å; Y117-H141 WeakPolarHBondContact CA-O 3.11Å; Y117-H141 HydrophobicContact CD1-CB 3.45Å; Y117-H141 VanDerWaalsContact CD1-CB 3.45Å; Y117-H141 HydrophobicContact CD2-CB 4.44Å; Y117-H141 HydrophobicContact CE1-CB 3.5Å; Y117-H141 VanDerWaalsContact CE1-CB 3.5Å; Y117-H141 AromaticContact CE1-CG 3.84Å; Y117-H141 HydrophobicContact CG-CB 3.96Å; Y117-H141 AromaticContact CZ-CD2 3.89Å; Y117-H141 AromaticContact CZ-CG 3.97Å; Y117-V143 HydrophobicContact CD1-CG1 3.85Å; Y117-V143 HydrophobicContact CD1-CG2 4.29Å; Y117-V143 HydrophobicContact CE1-CG1 4.37Å; Y117-T154 HydrophobicContact CE1-CG2 4.36Å; Y117-I155 HydrophobicContact CD1-CD1 4.32Å; Y117-I155 HydrophobicContact CD1-CG1 3.91Å; Y117-I155 HydrophobicContact CE1-CD1 4.42Å; Y117-I155 HydrophobicContact CE1-CG1 3.53Å; Y117-I155 HydrophobicContact CE2-CG1 4.16Å; Y117-I155 HydrophobicContact CG-CG1 4.38Å; Y117-W158 HydrophobicContact CE2-CE3 4.47Å; Y117-W158 WeakPolarHBondContact OH-CB 3.4Å; Y117-L183 CarbonylContact O-C 3.55Å; Y117-L183 WeakPolarHBondContact O-CA 3.25Å; Y117-N184 PolarHBondContact N-O 3.03Å; Y117-N184 PolarHBondContact O-N 2.67Å; Y117-F186 AromaticContact CD2-CD2 3.37Å; Y117-F186 HydrophobicContact CD2-CD2 3.37Å; Y117-F186 AromaticContact CD2-CE2 3.54Å; Y117-F186 HydrophobicContact CD2-CE2 3.54Å; Y117-F186 AromaticContact CE2-CD2 3.65Å; Y117-F186 HydrophobicContact CE2-CD2 3.65Å; Y117-F186 HydrophobicContact CE2-CE2 4.12Å; Y117-F186 HydrophobicContact CG-CD2 4.25Å; Y117-F186 AromaticContact CG-CE2 3.96Å; Y117-F186 HydrophobicContact CG-CE2 3.96Å
118A97Very high91.5Very high0 Ų037.2 Ų37.20%020%0.199CC..EExtended strand (participates in β ladder)trans-110.6151.8179.900000111.3D120 L122 I124 I140 H141 R142 V143 L182 L183A118-D120 PolarHBondContact O-N 3.11Å; A118-L122 HydrophobicContact CB-CD1 4.23Å; A118-I124 HydrophobicContact CB-CD1 4Å; A118-I140 HydrophobicContact CB-CD1 3.66Å; A118-I140 HydrophobicContact CB-CG1 3.96Å; A118-H141 PolarHBondContact N-O 3.39Å; A118-R142 CarbonylContact O-C 3.36Å; A118-R142 WeakPolarHBondContact O-CA 3.23Å; A118-V143 PolarHBondContact O-N 3Å; A118-L182 CarbonylContact C-O 3.44Å; A118-L182 VanDerWaalsContact CA-O 3.31Å; A118-L182 WeakPolarHBondContact CA-O 3.43Å; A118-L183 HydrophobicContact CB-CD1 4.14Å
119S96.6Very high92.2Very high5 Ų534.7 Ų34.74%0.03519%0.187CC..EExtended strand (participates in β ladder)trans-59.8138.2170.2-177.60000109.5D121 L122 V143 L182S119-D121 PolarHBondContact O-N 3.27Å; S119-D121 PolarHBondContact OG-N 3.43Å; S119-L122 WeakPolarHBondContact O-CB 3.4Å; S119-L122 PolarHBondContact O-N 2.72Å; S119-V143 WeakPolarHBondContact CA-O 3.2Å; S119-L182 PolarHBondContact N-O 2.77Å
120D95.4Very high92.8Very high79 Ų7940.5 Ų40.542%0.42222%0.215SC..THydrogen-bonded Turntrans-66.2-16.1175.158-13.6000113.3A118 L122 R142 V143A118-D120 PolarHBondContact O-N 3.11Å; D120-L122 PolarHBondContact O-N 2.8Å; D120-R142 HydrophobicContact CB-CB 4.32Å; D120-V143 PolarHBondContact N-O 3.38Å; D120-V143 VanDerWaalsContact N-O 3.11Å
121D92.6Very high93.4Very high127 Ų12741.8 Ų41.868%0.67922%0.221SC*.THydrogen-bonded Turntrans-70.9-15.8170.1-65.2-42.2000113.6S119S119-D121 PolarHBondContact O-N 3.27Å; S119-D121 PolarHBondContact OG-N 3.43Å
122L94.2Very high94.1Very high8 Ų840.7 Ų40.74%0.04222%0.215CC..SBendtrans-85126.1-178.1-65.1175.8000111.9A118 S119 D120 I124 L182 T327 H329 I332A118-L122 HydrophobicContact CB-CD1 4.23Å; S119-L122 WeakPolarHBondContact O-CB 3.4Å; S119-L122 PolarHBondContact O-N 2.72Å; D120-L122 PolarHBondContact O-N 2.8Å; L122-I124 HydrophobicContact CB-CD1 3.83Å; L122-I124 HydrophobicContact CD1-CD1 4.43Å; L122-I124 PolarHBondContact O-N 3.29Å; L122-L182 HydrophobicContact CD1-CB 4.24Å; L122-L182 VanDerWaalsContact CD1-O 3.3Å; L122-L182 WeakPolarHBondContact CD1-O 3.39Å; L122-L182 HydrophobicContact CD2-CD2 4.49Å; L122-T327 HydrophobicContact CD2-CG2 4.49Å; L122-H329 HydrophobicContact CD2-CB 3.85Å; L122-I332 HydrophobicContact CD1-CD1 3.53Å; L122-I332 HydrophobicContact CD2-CD1 4.28Å
123Q95.6Very high94.7Very high145 Ų14541.5 Ų41.568%0.67822%0.223SC*.  trans-77102.8163.4-173.1176.9-0.600109.2T327Q123-T327 WeakPolarHBondContact O-CB 3.38Å; Q123-T327 PolarHBondContact O-OG1 3.34Å
124I96.7Very high95.4Very high12 Ų1246.1 Ų46.16%0.06224%0.244CC..BIsolated β-bridgetrans-78.7140.9177-50.9-59000109.8A118 L122 G126 F128 E129 I140 I326A118-I124 HydrophobicContact CB-CD1 4Å; L122-I124 HydrophobicContact CB-CD1 3.83Å; L122-I124 HydrophobicContact CD1-CD1 4.43Å; L122-I124 PolarHBondContact O-N 3.29Å; I124-G126 PolarHBondContact O-N 2.7Å; I124-F128 HydrophobicContact CG2-CD1 4.17Å; I124-E129 HydrophobicContact CB-CG 4.41Å; I124-E129 HydrophobicContact CG2-CG 3.62Å; I124-I140 HydrophobicContact CD1-CD1 3.93Å; I124-I140 HydrophobicContact CG1-CD1 4.12Å; I124-I140 HydrophobicContact CG2-CD1 4.21Å; I124-I140 HydrophobicContact CG2-CG2 4.49Å; I124-I326 CarbonylContact C-O 3.54Å; I124-I326 WeakPolarHBondContact CA-O 3.46Å; I124-I326 HydrophobicContact CD1-CG2 4.1Å; I124-I326 HydrophobicContact CG2-CG2 4.39Å
125N96.8Very high95.6Very high60 Ų6049.6 Ų49.632%0.32126%0.257SS..  trans-67.5122.7174.6-175.5-6.9000110E127 F128 E129 G325 I326N125-E127 PolarHBondContact O-N 2.82Å; N125-E127 PolarHBondContact OD1-N 3.5Å; N125-F128 HydrophobicContact CB-CB 4.29Å; N125-F128 WeakPolarHBondContact O-CB 3.48Å; N125-F128 PolarHBondContact O-N 3.01Å; N125-F128 VanDerWaalsContact O-N 3.15Å; N125-E129 PolarHBondContact O-N 2.76Å; N125-G325 VanDerWaalsContact CB-O 3.26Å; N125-G325 WeakPolarHBondContact CB-O 3.43Å; N125-G325 PolarHBondContact ND2-O 3.26Å; N125-I326 PolarHBondContact N-O 3.38Å
126G97Very high95.7Very high44 Ų4450.1 Ų50.145%0.45426%0.259SS..Hα-helixtrans-62.8-27.8-179.900000113.8I124 E129 Q130I124-G126 PolarHBondContact O-N 2.7Å; G126-E129 PolarHBondContact O-N 2.78Å; G126-Q130 WeakPolarHBondContact O-CB 3.28Å; G126-Q130 PolarHBondContact O-N 3.27Å
127E96.3Very high95.4Very high113 Ų11356.7 Ų56.753%0.52829%0.294SS..Hα-helixtrans-66-43.6174.4-175.1176.5-161.200111.2N125 E129 Q130 L131N125-E127 PolarHBondContact O-N 2.82Å; N125-E127 PolarHBondContact OD1-N 3.5Å; E127-E129 PolarHBondContact O-N 2.68Å; E127-Q130 PolarHBondContact O-N 3Å; E127-L131 HydrophobicContact CG-CD1 4.19Å; E127-L131 HydrophobicContact CG-CG 4.47Å; E127-L131 WeakPolarHBondContact O-CG 3.33Å; E127-L131 PolarHBondContact O-N 2.99Å
128F96.9Very high95.1Very high3 Ų357.6 Ų57.61%0.01330%0.298CS..Hα-helixtrans-60.7-45.6175.4173.4-95.2000111.4L45 S48 I116 I124 N125 Q130 L131 L132 I140 G325 I326L45-F128 HydrophobicContact CD2-CZ 4.33Å; S48-F128 VanDerWaalsContact CB-CE2 3.49Å; S48-F128 WeakPolarHBondContact O-CD2 3.24Å; I116-F128 HydrophobicContact CD1-CZ 4.16Å; I124-F128 HydrophobicContact CG2-CD1 4.17Å; N125-F128 HydrophobicContact CB-CB 4.29Å; N125-F128 WeakPolarHBondContact O-CB 3.48Å; N125-F128 PolarHBondContact O-N 3.01Å; N125-F128 VanDerWaalsContact O-N 3.15Å; F128-Q130 VanDerWaalsContact C-N 3.33Å; F128-Q130 PolarHBondContact O-N 3.35Å; F128-L131 PolarHBondContact O-N 3.43Å; F128-L132 HydrophobicContact CE1-CD2 4.19Å; F128-L132 HydrophobicContact CZ-CD2 4.42Å; F128-L132 VanDerWaalsContact O-CB 3.27Å; F128-L132 WeakPolarHBondContact O-CB 3.27Å; F128-L132 PolarHBondContact O-N 3.08Å; F128-I140 HydrophobicContact CE1-CD1 4.4Å; F128-G325 WeakPolarHBondContact CB-O 3.3Å; F128-I326 HydrophobicContact CD1-CG1 4.48Å; F128-I326 HydrophobicContact CD1-CG2 4.35Å; F128-I326 HydrophobicContact CD2-CG1 4.08Å; F128-I326 HydrophobicContact CE1-CG1 4.33Å; F128-I326 HydrophobicContact CE1-CG2 4.32Å; F128-I326 HydrophobicContact CE2-CD1 4.37Å; F128-I326 HydrophobicContact CE2-CG1 3.92Å; F128-I326 HydrophobicContact CG-CG1 4.38Å; F128-I326 HydrophobicContact CZ-CD1 4.22Å; F128-I326 HydrophobicContact CZ-CG1 4.05Å
129E97Very high94.8Very high54 Ų5462.2 Ų62.225%0.25232%0.323SS..Hα-helixtrans-61.3-42177.1-63.4-171.1128.300111.9I124 N125 G126 E127 S133 I140 R142I124-E129 HydrophobicContact CB-CG 4.41Å; I124-E129 HydrophobicContact CG2-CG 3.62Å; N125-E129 PolarHBondContact O-N 2.76Å; G126-E129 PolarHBondContact O-N 2.78Å; E127-E129 PolarHBondContact O-N 2.68Å; E129-S133 WeakPolarHBondContact O-CB 3.13Å; E129-S133 PolarHBondContact O-N 2.9Å; E129-I140 HydrophobicContact CG-CG2 4.08Å; E129-I140 WeakPolarHBondContact OE1-CG2 3.36Å; E129-R142 IonicContact OE1-CZ 3.64Å; E129-R142 IonicContact OE1-NE 3.31Å; E129-R142 IonicContact OE1-NH2 2.68Å; E129-R142 PolarHBondContact OE1-NH2 2.89Å; E129-R142 IonicContact OE2-NH2 3.57Å; E129-R142 PolarHBondContact OE2-NH2 2.86Å
130Q97.6Very high94.7Very high122 Ų12262.9 Ų62.957%0.5733%0.326SS*.Hα-helixtrans-62.6-50.6177.7-177.9-176-2200111.4G126 E127 F128 L132 S133 E134G126-Q130 WeakPolarHBondContact O-CB 3.28Å; G126-Q130 PolarHBondContact O-N 3.27Å; E127-Q130 PolarHBondContact O-N 3Å; F128-Q130 VanDerWaalsContact C-N 3.33Å; F128-Q130 PolarHBondContact O-N 3.35Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-L132 PolarHBondContact O-N 3.03Å; Q130-S133 PolarHBondContact O-N 3.23Å; Q130-E134 VanDerWaalsContact O-CB 3.29Å; Q130-E134 WeakPolarHBondContact O-CB 3.37Å; Q130-E134 PolarHBondContact O-N 3.07Å
131L96.5Very high94.7Very high32 Ų3261.7 Ų61.717%0.16832%0.318CS..Hα-helixtrans-66.3-36.5-178.6-64.6179.2000111.9E127 F128 Y135E127-L131 HydrophobicContact CG-CD1 4.19Å; E127-L131 HydrophobicContact CG-CG 4.47Å; E127-L131 WeakPolarHBondContact O-CG 3.33Å; E127-L131 PolarHBondContact O-N 2.99Å; F128-L131 PolarHBondContact O-N 3.43Å; L131-Y135 HydrophobicContact CB-CD2 4.38Å; L131-Y135 HydrophobicContact CD2-CD2 4.27Å; L131-Y135 HydrophobicContact CD2-CE2 3.68Å; L131-Y135 WeakPolarHBondContact O-CB 3.39Å; L131-Y135 PolarHBondContact O-N 3.46Å
132L95.8Very high94.9Very high0 Ų061.9 Ų61.90%031%0.309CS..Hα-helixtrans-60.2-47.4173.8-172.168.5000111.6A44 S48 I116 F128 Q130 F136 D137 E138A44-L132 HydrophobicContact CB-CD1 4.13Å; S48-L132 WeakPolarHBondContact OG-CA 3.43Å; S48-L132 WeakPolarHBondContact OG-CB 3.42Å; S48-L132 PolarHBondContact OG-N 2.85Å; I116-L132 HydrophobicContact CD1-CD1 4.14Å; I116-L132 HydrophobicContact CD1-CD2 3.82Å; F128-L132 HydrophobicContact CE1-CD2 4.19Å; F128-L132 HydrophobicContact CZ-CD2 4.42Å; F128-L132 VanDerWaalsContact O-CB 3.27Å; F128-L132 WeakPolarHBondContact O-CB 3.27Å; F128-L132 PolarHBondContact O-N 3.08Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-L132 PolarHBondContact O-N 3.03Å; L132-F136 HydrophobicContact CD1-CB 4.41Å; L132-F136 HydrophobicContact CD1-CD2 4.25Å; L132-F136 WeakPolarHBondContact O-CB 3.41Å; L132-F136 PolarHBondContact O-N 3.11Å; L132-F136 VanDerWaalsContact O-N 3.09Å; L132-D137 PolarHBondContact O-N 2.96Å; L132-E138 CarbonylContact C-O 3.57Å; L132-E138 HydrophobicContact CD1-CB 3.98Å; L132-E138 HydrophobicContact CD2-CB 4.29Å; L132-E138 HydrophobicContact CG-CB 3.87Å; L132-E138 PolarHBondContact O-N 3.45Å
133S95.3Very high95Very high52 Ų5262.1 Ų62.136%0.36431%0.311SS..Hα-helixtrans-67.5-44.3177.5179.10000112.1E129 Q130 D137 E138E129-S133 WeakPolarHBondContact O-CB 3.13Å; E129-S133 PolarHBondContact O-N 2.9Å; Q130-S133 PolarHBondContact O-N 3.23Å; S133-D137 WeakPolarHBondContact O-CA 3.47Å; S133-D137 PolarHBondContact O-N 3.42Å; S133-E138 WeakPolarHBondContact CA-O 3.48Å; S133-E138 PolarHBondContact N-O 3.45Å
134E94.6Very high95.1Very high105 Ų10558.2 Ų58.249%0.49130%0.295SS..Hα-helixtrans-70.1-41.7-175.2-174.1177.9160.400112.8R89 Q130R89-E134 PolarHBondContact NH2-O 3.36Å; Q130-E134 VanDerWaalsContact O-CB 3.29Å; Q130-E134 WeakPolarHBondContact O-CB 3.37Å; Q130-E134 PolarHBondContact O-N 3.07Å
135Y92.6Very high95.1Very high81 Ų8157.8 Ų57.832%0.31829%0.293SS..Hα-helixtrans-92.9-29-173.7-64.7-31000114.7V85 R89 L131V85-Y135 HydrophobicContact CG1-CD1 4.36Å; V85-Y135 HydrophobicContact CG1-CD2 4.24Å; V85-Y135 HydrophobicContact CG1-CG 3.97Å; V85-Y135 HydrophobicContact CG2-CD2 3.77Å; V85-Y135 HydrophobicContact CG2-CE2 4.44Å; V85-Y135 HydrophobicContact CG2-CG 4.22Å; R89-Y135 PolarHBondContact NE-O 2.85Å; R89-Y135 VanDerWaalsContact NE-O 3.16Å; R89-Y135 PolarHBondContact NH2-O 3.28Å; L131-Y135 HydrophobicContact CB-CD2 4.38Å; L131-Y135 HydrophobicContact CD2-CD2 4.27Å; L131-Y135 HydrophobicContact CD2-CE2 3.68Å; L131-Y135 WeakPolarHBondContact O-CB 3.39Å; L131-Y135 PolarHBondContact O-N 3.46Å
136F91.8Very high95.1Very high10 Ų1059.6 Ų59.64%0.04431%0.306CS..Hα-helixtrans-122.1-6.9-170.1-54.9-83.2000114.3A44 S48 V85 Y88 L132 E138A44-F136 HydrophobicContact CB-CB 4.33Å; A44-F136 HydrophobicContact CB-CD1 3.75Å; A44-F136 HydrophobicContact CB-CD2 4.25Å; A44-F136 HydrophobicContact CB-CE1 4.1Å; A44-F136 HydrophobicContact CB-CG 3.83Å; A44-F136 HydrophobicContact CB-CZ 4.5Å; S48-F136 WeakPolarHBondContact OG-CD2 3.41Å; S48-F136 WeakPolarHBondContact OG-CE2 3.3Å; V85-F136 HydrophobicContact CB-CZ 4.32Å; V85-F136 HydrophobicContact CG2-CE2 4.05Å; V85-F136 HydrophobicContact CG2-CZ 3.63Å; Y88-F136 AromaticContact CD1-CD1 3.5Å; Y88-F136 HydrophobicContact CD1-CD1 3.5Å; Y88-F136 AromaticContact CD1-CE1 3.81Å; Y88-F136 HydrophobicContact CD1-CE1 3.81Å; Y88-F136 AromaticContact CD2-CD1 3.5Å; Y88-F136 HydrophobicContact CD2-CD1 3.5Å; Y88-F136 AromaticContact CD2-CE1 3.65Å; Y88-F136 HydrophobicContact CD2-CE1 3.65Å; Y88-F136 HydrophobicContact CE1-CB 4.41Å; Y88-F136 AromaticContact CE1-CD1 3.6Å; Y88-F136 HydrophobicContact CE1-CD1 3.6Å; Y88-F136 HydrophobicContact CE1-CE1 4.36Å; Y88-F136 HydrophobicContact CE1-CG 4.46Å; Y88-F136 AromaticContact CE2-CD1 3.6Å; Y88-F136 HydrophobicContact CE2-CD1 3.6Å; Y88-F136 HydrophobicContact CE2-CE1 4.22Å; Y88-F136 AromaticContact CG-CD1 3.48Å; Y88-F136 HydrophobicContact CG-CD1 3.48Å; Y88-F136 VanDerWaalsContact CG-CD1 3.48Å; Y88-F136 AromaticContact CG-CE1 3.43Å; Y88-F136 HydrophobicContact CG-CE1 3.43Å; Y88-F136 VanDerWaalsContact CG-CE1 3.43Å; Y88-F136 AromaticContact CZ-CD1 3.66Å; L132-F136 HydrophobicContact CD1-CB 4.41Å; L132-F136 HydrophobicContact CD1-CD2 4.25Å; L132-F136 WeakPolarHBondContact O-CB 3.41Å; L132-F136 PolarHBondContact O-N 3.11Å; L132-F136 VanDerWaalsContact O-N 3.09Å; F136-E138 HydrophobicContact CB-CB 4.35Å; F136-E138 HydrophobicContact CB-CG 4.31Å; F136-E138 PolarHBondContact O-N 3.41Å
137D89.7Confident95.1Very high138 Ų13860.8 Ų60.874%0.73830%0.302SS*.SBendtrans5533.2-173.1-16534.4000112.6L132 S133L132-D137 PolarHBondContact O-N 2.96Å; S133-D137 WeakPolarHBondContact O-CA 3.47Å; S133-D137 PolarHBondContact O-N 3.42Å
138E90Very high95.1Very high19 Ų1957.9 Ų57.99%0.08929%0.288CS..  trans-114.5156.8-179.8-71.7-174.7-172.900111M41 N114 L132 S133 F136M41-E138 VanDerWaalsContact CE-OE2 3.24Å; M41-E138 WeakPolarHBondContact CE-OE2 3.41Å; N114-E138 VanDerWaalsContact CB-OE1 3.32Å; N114-E138 WeakPolarHBondContact CB-OE1 3.49Å; N114-E138 PolarHBondContact ND2-OE1 2.98Å; L132-E138 CarbonylContact C-O 3.57Å; L132-E138 HydrophobicContact CD1-CB 3.98Å; L132-E138 HydrophobicContact CD2-CB 4.29Å; L132-E138 HydrophobicContact CG-CB 3.87Å; L132-E138 PolarHBondContact O-N 3.45Å; S133-E138 WeakPolarHBondContact CA-O 3.48Å; S133-E138 PolarHBondContact N-O 3.45Å; F136-E138 HydrophobicContact CB-CB 4.35Å; F136-E138 HydrophobicContact CB-CG 4.31Å; F136-E138 PolarHBondContact O-N 3.41Å
139N92.2Very high95.1Very high97 Ų9760.4 Ų60.452%0.51931%0.306SS..  trans-133.5152177.3-69.1-78.3000109.9
140I94.7Very high95.1Very high19 Ų1961.1 Ų61.110%0.09731%0.314CS..EExtended strand (participates in β ladder)trans-83.5134.2170.8-160.5164000110.3I116 A118 I124 F128 E129I116-I140 HydrophobicContact CB-CG1 4.15Å; I116-I140 HydrophobicContact CG2-CD1 3.83Å; I116-I140 HydrophobicContact CG2-CG1 3.77Å; A118-I140 HydrophobicContact CB-CD1 3.66Å; A118-I140 HydrophobicContact CB-CG1 3.96Å; I124-I140 HydrophobicContact CD1-CD1 3.93Å; I124-I140 HydrophobicContact CG1-CD1 4.12Å; I124-I140 HydrophobicContact CG2-CD1 4.21Å; I124-I140 HydrophobicContact CG2-CG2 4.49Å; F128-I140 HydrophobicContact CE1-CD1 4.4Å; E129-I140 HydrophobicContact CG-CG2 4.08Å; E129-I140 WeakPolarHBondContact OE1-CG2 3.36Å
141H95.2Very high95Very high54 Ų5455.5 Ų55.525%0.2529%0.288CS..EExtended strand (participates in β ladder)trans-99.1116177.5-65.7-79.8000109.5I116 Y117 A118 W158I116-H141 PolarHBondContact O-N 2.84Å; Y117-H141 CarbonylContact C-O 3.51Å; Y117-H141 VanDerWaalsContact CA-O 3.27Å; Y117-H141 WeakPolarHBondContact CA-O 3.11Å; Y117-H141 HydrophobicContact CD1-CB 3.45Å; Y117-H141 VanDerWaalsContact CD1-CB 3.45Å; Y117-H141 HydrophobicContact CD2-CB 4.44Å; Y117-H141 HydrophobicContact CE1-CB 3.5Å; Y117-H141 VanDerWaalsContact CE1-CB 3.5Å; Y117-H141 AromaticContact CE1-CG 3.84Å; Y117-H141 HydrophobicContact CG-CB 3.96Å; Y117-H141 AromaticContact CZ-CD2 3.89Å; Y117-H141 AromaticContact CZ-CG 3.97Å; A118-H141 PolarHBondContact N-O 3.39Å; H141-W158 AromaticContact CE1-CD1 3.73Å; H141-W158 AromaticContact CE1-NE1 3.65Å; H141-W158 AromaticContact NE2-CD1 3.75Å; H141-W158 AromaticContact NE2-CE2 3.88Å; H141-W158 AromaticContact NE2-NE1 3.27Å; H141-W158 PolarHBondContact NE2-NE1 3.18Å
142R96.2Very high94.9Very high131 Ų13155.2 Ų55.249%0.49429%0.286SS..EExtended strand (participates in β ladder)trans-86.7125.9175.7-63.4179.1-174.4125.1-1.1110.1A118 D120 E129A118-R142 CarbonylContact O-C 3.36Å; A118-R142 WeakPolarHBondContact O-CA 3.23Å; D120-R142 HydrophobicContact CB-CB 4.32Å; E129-R142 IonicContact OE1-CZ 3.64Å; E129-R142 IonicContact OE1-NE 3.31Å; E129-R142 IonicContact OE1-NH2 2.68Å; E129-R142 PolarHBondContact OE1-NH2 2.89Å; E129-R142 IonicContact OE2-NH2 3.57Å; E129-R142 PolarHBondContact OE2-NH2 2.86Å
143V96.9Very high94.9Very high13 Ų1360.4 Ų60.48%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-142.5149.3-176.1-62.70000111.4Y117 A118 S119 D120 F145 V151Y117-V143 HydrophobicContact CD1-CG1 3.85Å; Y117-V143 HydrophobicContact CD1-CG2 4.29Å; Y117-V143 HydrophobicContact CE1-CG1 4.37Å; A118-V143 PolarHBondContact O-N 3Å; S119-V143 WeakPolarHBondContact CA-O 3.2Å; D120-V143 PolarHBondContact N-O 3.38Å; D120-V143 VanDerWaalsContact N-O 3.11Å; V143-F145 HydrophobicContact CG2-CD1 4.06Å; V143-F145 HydrophobicContact CG2-CD2 4.28Å; V143-F145 HydrophobicContact CG2-CE1 3.61Å; V143-F145 HydrophobicContact CG2-CE2 3.92Å; V143-F145 HydrophobicContact CG2-CG 4.38Å; V143-F145 HydrophobicContact CG2-CZ 3.55Å; V143-F145 PolarHBondContact O-N 3.22Å; V143-V151 HydrophobicContact CB-CG2 4.12Å; V143-V151 HydrophobicContact CG2-CG1 4.14Å; V143-V151 HydrophobicContact CG2-CG2 4.28Å
144N96.9Very high94.9Very high64 Ų6460.4 Ų60.434%0.34231%0.309SS..  trans-88.2100.8171.7178.9-5.5000110T146 D147 V151N144-T146 VanDerWaalsContact CG-OG1 3.31Å; N144-T146 PolarHBondContact ND2-OG1 3.37Å; N144-T146 PolarHBondContact O-N 2.97Å; N144-T146 VanDerWaalsContact O-N 3.17Å; N144-T146 WeakPolarHBondContact OD1-CB 3.41Å; N144-T146 PolarHBondContact OD1-N 3.35Å; N144-T146 PolarHBondContact OD1-OG1 2.9Å; N144-D147 PolarHBondContact O-N 2.68Å; N144-D147 VanDerWaalsContact O-N 3.07Å; N144-V151 WeakPolarHBondContact O-CG2 3.37Å
145F96.5Very high94.7Very high3 Ų355.4 Ų55.41%0.01329%0.285CS..THydrogen-bonded Turntrans-62.3-21.8-178.6-71.7-66.9000114.5V143 D147 Q148 V151 I177 P179 S181 N184V143-F145 HydrophobicContact CG2-CD1 4.06Å; V143-F145 HydrophobicContact CG2-CD2 4.28Å; V143-F145 HydrophobicContact CG2-CE1 3.61Å; V143-F145 HydrophobicContact CG2-CE2 3.92Å; V143-F145 HydrophobicContact CG2-CG 4.38Å; V143-F145 HydrophobicContact CG2-CZ 3.55Å; V143-F145 PolarHBondContact O-N 3.22Å; F145-D147 PolarHBondContact O-N 2.73Å; F145-Q148 WeakPolarHBondContact O-CG 3.2Å; F145-Q148 PolarHBondContact O-N 2.87Å; F145-V151 HydrophobicContact CD1-CG1 4.02Å; F145-V151 HydrophobicContact CD1-CG2 4.43Å; F145-V151 HydrophobicContact CE1-CG1 4.02Å; F145-I177 HydrophobicContact CD1-CG2 3.8Å; F145-I177 HydrophobicContact CE1-CG2 4.41Å; F145-P179 WeakPolarHBondContact O-CA 3.45Å; F145-S181 WeakPolarHBondContact CD2-O 3.35Å; F145-N184 HydrophobicContact CE1-CB 4.4Å; F145-N184 WeakPolarHBondContact CE1-ND2 3.32Å; F145-N184 HydrophobicContact CZ-CB 4.18Å; F145-N184 WeakPolarHBondContact CZ-ND2 3.41Å
146T96.2Very high94.7Very high97 Ų9752.5 Ų52.560%0.59528%0.275SS*.THydrogen-bonded Turntrans-66.6-26.3175.771.20000112.3N144 Q148N144-T146 VanDerWaalsContact CG-OG1 3.31Å; N144-T146 PolarHBondContact ND2-OG1 3.37Å; N144-T146 PolarHBondContact O-N 2.97Å; N144-T146 VanDerWaalsContact O-N 3.17Å; N144-T146 WeakPolarHBondContact OD1-CB 3.41Å; N144-T146 PolarHBondContact OD1-N 3.35Å; N144-T146 PolarHBondContact OD1-OG1 2.9Å; T146-Q148 PolarHBondContact O-N 3.5Å
147D97.1Very high94.8Very high69 Ų6958.3 Ų58.337%0.36930%0.302SS..  trans-92.570.2168.6-171.2-6.5000110.8N144 F145 S149 T150 V151N144-D147 PolarHBondContact O-N 2.68Å; N144-D147 VanDerWaalsContact O-N 3.07Å; F145-D147 PolarHBondContact O-N 2.73Å; D147-S149 PolarHBondContact O-N 3.13Å; D147-S149 VanDerWaalsContact O-N 3.08Å; D147-S149 PolarHBondContact OD1-N 3.39Å; D147-T150 VanDerWaalsContact CG-CB 3.45Å; D147-T150 PolarHBondContact O-N 3.37Å; D147-T150 VanDerWaalsContact O-N 3.17Å; D147-T150 PolarHBondContact OD1-N 3Å; D147-T150 VanDerWaalsContact OD1-N 3.15Å; D147-T150 PolarHBondContact OD1-OG1 3.38Å; D147-T150 VanDerWaalsContact OD2-CB 3.24Å; D147-T150 WeakPolarHBondContact OD2-CB 3.45Å; D147-T150 PolarHBondContact OD2-OG1 3.03Å; D147-V151 WeakPolarHBondContact O-CG2 3.41Å; D147-V151 PolarHBondContact O-N 3.3Å
148Q96.9Very high94.8Very high53 Ų5353.3 Ų53.325%0.24827%0.273CS..Hα-helixtrans-53.1-32.5-178.7-63.9168.8-69.300113F145 T146 M152 P174 I177 P179F145-Q148 WeakPolarHBondContact O-CG 3.2Å; F145-Q148 PolarHBondContact O-N 2.87Å; T146-Q148 PolarHBondContact O-N 3.5Å; Q148-M152 WeakPolarHBondContact O-CB 3.2Å; Q148-M152 PolarHBondContact O-N 3.47Å; Q148-P174 HydrophobicContact CB-CB 3.84Å; Q148-P174 WeakPolarHBondContact CB-O 3.46Å; Q148-P174 PolarHBondContact NE2-O 2.77Å; Q148-I177 PolarHBondContact NE2-O 3.14Å; Q148-P179 HydrophobicContact CG-CB 4.29Å
149S97Very high94.7Very high55 Ų5552.4 Ų52.439%0.38527%0.269SS..Hα-helixtrans-71.1-45.7-178.2-64.70000111.4D147 M152 Q153D147-S149 PolarHBondContact O-N 3.13Å; D147-S149 VanDerWaalsContact O-N 3.08Å; D147-S149 PolarHBondContact OD1-N 3.39Å; S149-M152 PolarHBondContact O-N 2.89Å; S149-Q153 WeakPolarHBondContact O-CG 3.5Å; S149-Q153 PolarHBondContact O-N 2.78Å; S149-Q153 VanDerWaalsContact O-N 3.12Å
150T96.9Very high94.5Very high70 Ų7048.5 Ų48.543%0.42925%0.249SC..Hα-helixtrans-67.1-39.2176.4-62.40000111.6D147 Q153 T154D147-T150 VanDerWaalsContact CG-CB 3.45Å; D147-T150 PolarHBondContact O-N 3.37Å; D147-T150 VanDerWaalsContact O-N 3.17Å; D147-T150 PolarHBondContact OD1-N 3Å; D147-T150 VanDerWaalsContact OD1-N 3.15Å; D147-T150 PolarHBondContact OD1-OG1 3.38Å; D147-T150 VanDerWaalsContact OD2-CB 3.24Å; D147-T150 WeakPolarHBondContact OD2-CB 3.45Å; D147-T150 PolarHBondContact OD2-OG1 3.03Å; T150-Q153 PolarHBondContact O-N 3.35Å; T150-T154 WeakPolarHBondContact O-CB 3.32Å; T150-T154 PolarHBondContact O-N 2.98Å; T150-T154 PolarHBondContact O-OG1 2.83Å
151V95.6Very high94.1Very high3 Ų351.1 Ų51.12%0.01827%0.269CS..Hα-helixtrans-63.8-46.2176.8179.70000110.6V143 N144 F145 D147 Q153 T154 I155 I177V143-V151 HydrophobicContact CB-CG2 4.12Å; V143-V151 HydrophobicContact CG2-CG1 4.14Å; V143-V151 HydrophobicContact CG2-CG2 4.28Å; N144-V151 WeakPolarHBondContact O-CG2 3.37Å; F145-V151 HydrophobicContact CD1-CG1 4.02Å; F145-V151 HydrophobicContact CD1-CG2 4.43Å; F145-V151 HydrophobicContact CE1-CG1 4.02Å; D147-V151 WeakPolarHBondContact O-CG2 3.41Å; D147-V151 PolarHBondContact O-N 3.3Å; V151-Q153 VanDerWaalsContact C-N 3.33Å; V151-Q153 PolarHBondContact O-N 3.09Å; V151-T154 PolarHBondContact O-N 2.85Å; V151-I155 HydrophobicContact CG1-CD1 3.65Å; V151-I155 HydrophobicContact CG1-CG1 4.36Å; V151-I155 WeakPolarHBondContact O-CG1 3.39Å; V151-I155 PolarHBondContact O-N 3.46Å; V151-I177 HydrophobicContact CB-CD1 4.13Å; V151-I177 HydrophobicContact CG1-CD1 3.9Å; V151-I177 HydrophobicContact CG1-CG2 4.32Å
152M94.9Very high93.5Very high27 Ų2753.2 Ų53.213%0.13328%0.278CS..Hα-helixtrans-55.9-47.4176.1-174.7-166.469.200111.6Q148 S149 I155 N156 F171 P174 I177Q148-M152 WeakPolarHBondContact O-CB 3.2Å; Q148-M152 PolarHBondContact O-N 3.47Å; S149-M152 PolarHBondContact O-N 2.89Å; M152-I155 PolarHBondContact O-N 3.2Å; M152-N156 WeakPolarHBondContact O-CB 3.41Å; M152-N156 PolarHBondContact O-N 2.68Å; M152-F171 HydrophobicContact CG-CB 3.59Å; M152-F171 HydrophobicContact CG-CG 4.42Å; M152-F171 HydrophobicContact SD-CB 4.32Å; M152-P174 HydrophobicContact CE-CG 4.19Å; M152-P174 HydrophobicContact SD-CG 3.96Å; M152-I177 HydrophobicContact CB-CD1 3.77Å
153Q95.5Very high92.5Very high109 Ų10947.2 Ų47.251%0.50926%0.255SS..Hα-helixtrans-63.4-44.6178.2-71.4178.49.400111.6S149 T150 V151 I155 N156 Q157S149-Q153 WeakPolarHBondContact O-CG 3.5Å; S149-Q153 PolarHBondContact O-N 2.78Å; S149-Q153 VanDerWaalsContact O-N 3.12Å; T150-Q153 PolarHBondContact O-N 3.35Å; V151-Q153 VanDerWaalsContact C-N 3.33Å; V151-Q153 PolarHBondContact O-N 3.09Å; Q153-I155 PolarHBondContact O-N 2.73Å; Q153-N156 PolarHBondContact O-N 3.11Å; Q153-Q157 VanDerWaalsContact O-CB 3.27Å; Q153-Q157 WeakPolarHBondContact O-CB 3.46Å; Q153-Q157 WeakPolarHBondContact O-CG 3.47Å; Q153-Q157 PolarHBondContact O-N 3.05Å
154T94.6Very high91.6Very high52 Ų5252.3 Ų52.332%0.31928%0.282SS..Hα-helixtrans-58.2-48.2177.6-58.30000111.5Y117 T150 V151 W158Y117-T154 HydrophobicContact CE1-CG2 4.36Å; T150-T154 WeakPolarHBondContact O-CB 3.32Å; T150-T154 PolarHBondContact O-N 2.98Å; T150-T154 PolarHBondContact O-OG1 2.83Å; V151-T154 PolarHBondContact O-N 2.85Å; T154-W158 WeakPolarHBondContact O-CB 3.23Å; T154-W158 PolarHBondContact O-N 2.62Å
155I91.8Very high90.7Very high0 Ų054.9 Ų54.90%030%0.296CS..Hα-helixtrans-67.1-48-179.5-65.1166.9000110.6Y117 V151 M152 Q153 Q157 W158 I159 F171 F186Y117-I155 HydrophobicContact CD1-CD1 4.32Å; Y117-I155 HydrophobicContact CD1-CG1 3.91Å; Y117-I155 HydrophobicContact CE1-CD1 4.42Å; Y117-I155 HydrophobicContact CE1-CG1 3.53Å; Y117-I155 HydrophobicContact CE2-CG1 4.16Å; Y117-I155 HydrophobicContact CG-CG1 4.38Å; V151-I155 HydrophobicContact CG1-CD1 3.65Å; V151-I155 HydrophobicContact CG1-CG1 4.36Å; V151-I155 WeakPolarHBondContact O-CG1 3.39Å; V151-I155 PolarHBondContact O-N 3.46Å; M152-I155 PolarHBondContact O-N 3.2Å; Q153-I155 PolarHBondContact O-N 2.73Å; I155-Q157 VanDerWaalsContact C-N 3.33Å; I155-Q157 PolarHBondContact O-N 2.85Å; I155-W158 PolarHBondContact O-N 2.83Å; I155-I159 HydrophobicContact CG2-CD1 3.73Å; I155-I159 HydrophobicContact CG2-CG1 4.26Å; I155-I159 WeakPolarHBondContact O-CB 3.4Å; I155-I159 WeakPolarHBondContact O-CG1 3.28Å; I155-I159 PolarHBondContact O-N 3.24Å; I155-F171 HydrophobicContact CB-CD2 4.38Å; I155-F171 HydrophobicContact CB-CE2 4.31Å; I155-F171 HydrophobicContact CD1-CD2 4.45Å; I155-F171 HydrophobicContact CD1-CE2 3.75Å; I155-F171 HydrophobicContact CG2-CD2 4.13Å; I155-F171 HydrophobicContact CG2-CE2 3.91Å; I155-F186 HydrophobicContact CD1-CD2 4.38Å; I155-F186 HydrophobicContact CD1-CE2 3.57Å; I155-F186 HydrophobicContact CD1-CZ 3.76Å; I155-F186 HydrophobicContact CG1-CE2 4.29Å; I155-F186 HydrophobicContact CG2-CD2 4.41Å
156N92.6Very high89.5Confident19 Ų1957.3 Ų57.310%0.10231%0.309CS..Hα-helixtrans-60.4-41.4178.5-79.3-13000112M152 Q153 S160 F170 F171M152-N156 WeakPolarHBondContact O-CB 3.41Å; M152-N156 PolarHBondContact O-N 2.68Å; Q153-N156 PolarHBondContact O-N 3.11Å; N156-S160 WeakPolarHBondContact O-CB 3.46Å; N156-S160 PolarHBondContact O-N 2.73Å; N156-F170 WeakPolarHBondContact OD1-CA 3.49Å; N156-F170 WeakPolarHBondContact OD1-CB 3.36Å; N156-F170 PolarHBondContact OD1-N 2.94Å; N156-F171 PolarHBondContact ND2-O 2.92Å; N156-F171 PolarHBondContact OD1-N 2.79Å
157Q92.9Very high88.6Confident132 Ų13253 Ų5362%0.61728%0.282SS*.Hα-helixtrans-65.2-44.4176.4-75.6174.1-200112Q153 I155 S160 S161Q153-Q157 VanDerWaalsContact O-CB 3.27Å; Q153-Q157 WeakPolarHBondContact O-CB 3.46Å; Q153-Q157 WeakPolarHBondContact O-CG 3.47Å; Q153-Q157 PolarHBondContact O-N 3.05Å; I155-Q157 VanDerWaalsContact C-N 3.33Å; I155-Q157 PolarHBondContact O-N 2.85Å; Q157-S160 PolarHBondContact O-N 2.75Å; Q157-S161 WeakPolarHBondContact O-CB 3.33Å; Q157-S161 PolarHBondContact O-N 2.85Å
158W90.1Very high87.8Confident33 Ų3353 Ų5313%0.12529%0.288CS..Hα-helixtrans-61.1-49.5176.7177.689.1000111A113 N114 Y117 H141 T154 I155 S160 S161 K162A113-W158 HydrophobicContact CB-CH2 3.81Å; A113-W158 HydrophobicContact CB-CZ2 4.36Å; A113-W158 HydrophobicContact CB-CZ3 4.46Å; N114-W158 WeakPolarHBondContact O-CH2 3.17Å; N114-W158 VanDerWaalsContact O-CZ2 3.24Å; N114-W158 WeakPolarHBondContact O-CZ2 3.28Å; Y117-W158 HydrophobicContact CE2-CE3 4.47Å; Y117-W158 WeakPolarHBondContact OH-CB 3.4Å; H141-W158 AromaticContact CE1-CD1 3.73Å; H141-W158 AromaticContact CE1-NE1 3.65Å; H141-W158 AromaticContact NE2-CD1 3.75Å; H141-W158 AromaticContact NE2-CE2 3.88Å; H141-W158 AromaticContact NE2-NE1 3.27Å; H141-W158 PolarHBondContact NE2-NE1 3.18Å; T154-W158 WeakPolarHBondContact O-CB 3.23Å; T154-W158 PolarHBondContact O-N 2.62Å; I155-W158 PolarHBondContact O-N 2.83Å; W158-S160 PolarHBondContact O-N 2.71Å; W158-S161 PolarHBondContact O-N 2.82Å; W158-S161 PolarHBondContact O-OG 3.16Å; W158-K162 HydrophobicContact CD2-CG 4.15Å; W158-K162 HydrophobicContact CH2-CG 4.37Å; W158-K162 HydrophobicContact CZ2-CD 4.43Å; W158-K162 HydrophobicContact CZ2-CG 3.93Å; W158-K162 WeakPolarHBondContact O-CG 3.31Å; W158-K162 PolarHBondContact O-N 2.73Å
159I87.3Confident87.2Confident0 Ų055.8 Ų55.80%030%0.301CS..Hα-helixtrans-60.9-45.3176.9-67.9179.2000111.1I155 S161 K162 T163 I167 F170 V188I155-I159 HydrophobicContact CG2-CD1 3.73Å; I155-I159 HydrophobicContact CG2-CG1 4.26Å; I155-I159 WeakPolarHBondContact O-CB 3.4Å; I155-I159 WeakPolarHBondContact O-CG1 3.28Å; I155-I159 PolarHBondContact O-N 3.24Å; I159-S161 VanDerWaalsContact C-N 3.29Å; I159-S161 PolarHBondContact O-N 3.02Å; I159-K162 PolarHBondContact O-N 3.41Å; I159-T163 HydrophobicContact CG2-CG2 4.16Å; I159-T163 WeakPolarHBondContact O-CB 3.2Å; I159-T163 VanDerWaalsContact O-CG2 3.3Å; I159-T163 WeakPolarHBondContact O-CG2 3.2Å; I159-T163 PolarHBondContact O-N 2.75Å; I159-T163 PolarHBondContact O-OG1 2.93Å; I159-I167 HydrophobicContact CG2-CB 3.75Å; I159-I167 HydrophobicContact CG2-CG2 3.67Å; I159-F170 HydrophobicContact CD1-CB 3.47Å; I159-F170 VanDerWaalsContact CD1-CB 3.47Å; I159-F170 HydrophobicContact CD1-CD1 4.17Å; I159-F170 HydrophobicContact CD1-CD2 3.34Å; I159-F170 HydrophobicContact CD1-CE2 4.04Å; I159-F170 HydrophobicContact CD1-CG 3.4Å; I159-V188 HydrophobicContact CD1-CG2 4.28Å; I159-V188 HydrophobicContact CG1-CG2 4.39Å; I159-V188 HydrophobicContact CG2-CG2 3.95Å
160S88.2Confident86.6Confident16 Ų1653.3 Ų53.311%0.11228%0.283CS..Hα-helixtrans-58.4-43.5176.7-1670000110.8N156 Q157 W158 T163 N164 N165 I167N156-S160 WeakPolarHBondContact O-CB 3.46Å; N156-S160 PolarHBondContact O-N 2.73Å; Q157-S160 PolarHBondContact O-N 2.75Å; W158-S160 PolarHBondContact O-N 2.71Å; S160-T163 PolarHBondContact O-N 2.87Å; S160-T163 PolarHBondContact O-OG1 2.74Å; S160-N164 PolarHBondContact O-N 2.96Å; S160-N164 VanDerWaalsContact O-N 3.15Å; S160-N165 WeakPolarHBondContact O-CA 3.47Å; S160-N165 PolarHBondContact O-N 3.38Å; S160-N165 WeakPolarHBondContact OG-CA 3.26Å; S160-N165 PolarHBondContact OG-OD1 2.78Å; S160-I167 VanDerWaalsContact CA-O 3.28Å; S160-I167 WeakPolarHBondContact CA-O 3.24Å; S160-I167 PolarHBondContact N-O 2.8Å
161S87.7Confident86.3Confident73 Ų7350.1 Ų50.151%0.5126%0.263SS..Hα-helixtrans-65-42.5177.876.60000112.6Q157 W158 I159 T163 N164Q157-S161 WeakPolarHBondContact O-CB 3.33Å; Q157-S161 PolarHBondContact O-N 2.85Å; W158-S161 PolarHBondContact O-N 2.82Å; W158-S161 PolarHBondContact O-OG 3.16Å; I159-S161 VanDerWaalsContact C-N 3.29Å; I159-S161 PolarHBondContact O-N 3.02Å; S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 3.03Å; S161-N164 PolarHBondContact O-N 2.97Å
162K81.6Confident86.1Confident99 Ų9954.1 Ų54.143%0.4328%0.284SS..Hα-helixtrans-70.3-27-180-70.2-68.9-176.1172.30112.7T111 A113 W158 I159T111-K162 WeakPolarHBondContact CG2-O 3.24Å; A113-K162 HydrophobicContact CB-CB 3.63Å; A113-K162 HydrophobicContact CB-CD 4.3Å; A113-K162 HydrophobicContact CB-CG 3.93Å; W158-K162 HydrophobicContact CD2-CG 4.15Å; W158-K162 HydrophobicContact CH2-CG 4.37Å; W158-K162 HydrophobicContact CZ2-CD 4.43Å; W158-K162 HydrophobicContact CZ2-CG 3.93Å; W158-K162 WeakPolarHBondContact O-CG 3.31Å; W158-K162 PolarHBondContact O-N 2.73Å; I159-K162 PolarHBondContact O-N 3.41Å
163T75.7Confident86Confident4 Ų459.6 Ų59.63%0.02530%0.304CS..THydrogen-bonded Turntrans-10213.4-179.461.80000113.3I159 S160 S161 N165 L166 I167 V188I159-T163 HydrophobicContact CG2-CG2 4.16Å; I159-T163 WeakPolarHBondContact O-CB 3.2Å; I159-T163 VanDerWaalsContact O-CG2 3.3Å; I159-T163 WeakPolarHBondContact O-CG2 3.2Å; I159-T163 PolarHBondContact O-N 2.75Å; I159-T163 PolarHBondContact O-OG1 2.93Å; S160-T163 PolarHBondContact O-N 2.87Å; S160-T163 PolarHBondContact O-OG1 2.74Å; S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 3.03Å; T163-N165 PolarHBondContact O-N 3.46Å; T163-L166 VanDerWaalsContact O-CB 3.32Å; T163-L166 WeakPolarHBondContact O-CB 3.45Å; T163-L166 WeakPolarHBondContact O-CD1 3.1Å; T163-L166 WeakPolarHBondContact O-CG 3.47Å; T163-L166 PolarHBondContact O-N 3.25Å; T163-L166 VanDerWaalsContact O-N 3.1Å; T163-I167 HydrophobicContact CG2-CB 4.23Å; T163-I167 HydrophobicContact CG2-CD1 4.2Å; T163-I167 HydrophobicContact CG2-CG1 4.16Å; T163-I167 PolarHBondContact OG1-N 2.59Å; T163-I167 VanDerWaalsContact OG1-N 3.14Å; T163-V188 HydrophobicContact CG2-CB 4.47Å; T163-V188 HydrophobicContact CG2-CG1 3.63Å
164N76.7Confident85.9Confident121 Ų12156.2 Ų56.265%0.64729%0.292SS*.THydrogen-bonded Turntrans51.738.6-176.5-62.3-56.8000113.7S160 S161 L166S160-N164 PolarHBondContact O-N 2.96Å; S160-N164 VanDerWaalsContact O-N 3.15Å; S161-N164 PolarHBondContact O-N 2.97Å; N164-L166 VanDerWaalsContact C-N 3.33Å; N164-L166 PolarHBondContact O-N 3.01Å
165N79.5Confident85.9Confident117 Ų11760.1 Ų60.163%0.62631%0.306SS*.THydrogen-bonded Turntrans71.713.2-179.8-49.1-67.3000116.5S160 T163S160-N165 WeakPolarHBondContact O-CA 3.47Å; S160-N165 PolarHBondContact O-N 3.38Å; S160-N165 WeakPolarHBondContact OG-CA 3.26Å; S160-N165 PolarHBondContact OG-OD1 2.78Å; T163-N165 PolarHBondContact O-N 3.46Å
166L70.8Confident85.9Confident54 Ų5462.2 Ų62.228%0.28332%0.316SS..SBendtrans-71.4-37.4176.9-62.6171.1000112.1T163 N164 Y190 E351T163-L166 VanDerWaalsContact O-CB 3.32Å; T163-L166 WeakPolarHBondContact O-CB 3.45Å; T163-L166 WeakPolarHBondContact O-CD1 3.1Å; T163-L166 WeakPolarHBondContact O-CG 3.47Å; T163-L166 PolarHBondContact O-N 3.25Å; T163-L166 VanDerWaalsContact O-N 3.1Å; N164-L166 VanDerWaalsContact C-N 3.33Å; N164-L166 PolarHBondContact O-N 3.01Å; L166-Y190 HydrophobicContact CD1-CD1 4.32Å; L166-Y190 HydrophobicContact CD1-CD2 4.06Å; L166-Y190 HydrophobicContact CD1-CE1 3.67Å; L166-Y190 HydrophobicContact CD1-CE2 3.39Å; L166-Y190 HydrophobicContact CD1-CG 4.48Å; L166-Y190 VanDerWaalsContact CD1-OH 3.27Å; L166-Y190 WeakPolarHBondContact CD1-OH 3.47Å; L166-E351 WeakPolarHBondContact CD1-OE2 3.17Å; L166-E351 WeakPolarHBondContact CD2-OE2 3.29Å
167I77.9Confident85.9Confident7 Ų761.5 Ų61.54%0.03631%0.312CS..  trans-112.189172.9-51.8-175.1000108.4I159 S160 T163 V188 K340 V342I159-I167 HydrophobicContact CG2-CB 3.75Å; I159-I167 HydrophobicContact CG2-CG2 3.67Å; S160-I167 VanDerWaalsContact CA-O 3.28Å; S160-I167 WeakPolarHBondContact CA-O 3.24Å; S160-I167 PolarHBondContact N-O 2.8Å; T163-I167 HydrophobicContact CG2-CB 4.23Å; T163-I167 HydrophobicContact CG2-CD1 4.2Å; T163-I167 HydrophobicContact CG2-CG1 4.16Å; T163-I167 PolarHBondContact OG1-N 2.59Å; T163-I167 VanDerWaalsContact OG1-N 3.14Å; I167-V188 HydrophobicContact CD1-CG1 3.54Å; I167-V188 HydrophobicContact CD1-CG2 4.42Å; I167-K340 HydrophobicContact CD1-CG 4.33Å; I167-K340 HydrophobicContact CG2-CD 3.81Å; I167-V342 HydrophobicContact CD1-CG2 3.73Å; I167-V342 HydrophobicContact CG1-CG2 3.89Å
168S79.9Confident85.9Confident70 Ų7059.1 Ų59.149%0.4930%0.304SS..SBendtrans-84.1-24.2177.858.80000113.4
169Q83.3Confident86.1Confident111 Ų11160.3 Ų60.352%0.51932%0.316SS..  trans-131.396-177.7-67.4179.3-18.200109.2K340Q169-K340 PolarHBondContact O-NZ 2.87Å
170F85.9Confident86.4Confident2 Ų266.2 Ų66.21%0.00935%0.347CS..SBendtrans-81-49.6167.2-175.6-85.6000109.8N156 I159 F186 T300 R338 K340N156-F170 WeakPolarHBondContact OD1-CA 3.49Å; N156-F170 WeakPolarHBondContact OD1-CB 3.36Å; N156-F170 PolarHBondContact OD1-N 2.94Å; I159-F170 HydrophobicContact CD1-CB 3.47Å; I159-F170 VanDerWaalsContact CD1-CB 3.47Å; I159-F170 HydrophobicContact CD1-CD1 4.17Å; I159-F170 HydrophobicContact CD1-CD2 3.34Å; I159-F170 HydrophobicContact CD1-CE2 4.04Å; I159-F170 HydrophobicContact CD1-CG 3.4Å; F170-F186 HydrophobicContact CD1-CD1 4.47Å; F170-F186 AromaticContact CE1-CD1 3.58Å; F170-F186 HydrophobicContact CE1-CD1 3.58Å; F170-F186 AromaticContact CE1-CE1 3.98Å; F170-F186 HydrophobicContact CE1-CE1 3.98Å; F170-F186 AromaticContact CZ-CD1 3.72Å; F170-F186 HydrophobicContact CZ-CD1 3.72Å; F170-T300 HydrophobicContact CZ-CG2 4.44Å; F170-R338 HydrophobicContact CE1-CB 4Å; F170-R338 HydrophobicContact CZ-CB 3.62Å; F170-K340 HydrophobicContact CD2-CB 3.5Å; F170-K340 VanDerWaalsContact CD2-CB 3.5Å; F170-K340 HydrophobicContact CD2-CD 4.14Å; F170-K340 HydrophobicContact CD2-CG 4.43Å; F170-K340 HydrophobicContact CE2-CB 3.39Å; F170-K340 HydrophobicContact CZ-CB 4.46Å
171F89.4Confident86.7Confident4 Ų465.6 Ų65.62%0.01834%0.343CS..  trans-99.9137.6167.9-67.1-69.9000110.2M152 I155 N156 E176 I177 F186M152-F171 HydrophobicContact CG-CB 3.59Å; M152-F171 HydrophobicContact CG-CG 4.42Å; M152-F171 HydrophobicContact SD-CB 4.32Å; I155-F171 HydrophobicContact CB-CD2 4.38Å; I155-F171 HydrophobicContact CB-CE2 4.31Å; I155-F171 HydrophobicContact CD1-CD2 4.45Å; I155-F171 HydrophobicContact CD1-CE2 3.75Å; I155-F171 HydrophobicContact CG2-CD2 4.13Å; I155-F171 HydrophobicContact CG2-CE2 3.91Å; N156-F171 PolarHBondContact ND2-O 2.92Å; N156-F171 PolarHBondContact OD1-N 2.79Å; F171-E176 HydrophobicContact CD1-CB 3.5Å; F171-E176 VanDerWaalsContact CD1-CB 3.5Å; F171-E176 HydrophobicContact CD1-CG 4.36Å; F171-E176 HydrophobicContact CE1-CB 3.87Å; F171-I177 HydrophobicContact CD1-CG1 4.32Å; F171-I177 HydrophobicContact CD2-CD1 4.16Å; F171-I177 HydrophobicContact CD2-CG1 4.31Å; F171-I177 HydrophobicContact CE1-CG1 3.92Å; F171-I177 HydrophobicContact CE2-CD1 4.14Å; F171-I177 HydrophobicContact CE2-CG1 3.97Å; F171-I177 HydrophobicContact CG-CD1 4.49Å; F171-I177 HydrophobicContact CG-CG1 4.46Å; F171-I177 HydrophobicContact CZ-CD1 4.41Å; F171-I177 HydrophobicContact CZ-CG1 3.74Å; F171-F186 AromaticContact CE2-CE1 3.83Å; F171-F186 HydrophobicContact CE2-CE1 3.83Å; F171-F186 AromaticContact CE2-CZ 3.99Å; F171-F186 HydrophobicContact CE2-CZ 3.99Å; F171-F186 HydrophobicContact CZ-CD1 4.45Å; F171-F186 AromaticContact CZ-CE1 3.51Å; F171-F186 HydrophobicContact CZ-CE1 3.51Å; F171-F186 AromaticContact CZ-CZ 3.87Å; F171-F186 HydrophobicContact CZ-CZ 3.87Å
172N90.9Very high86.9Confident87 Ų8764.8 Ų64.847%0.46533%0.332SS..SBendtrans-95.8-29.6175.1-61.1-64.4000111.3E176N172-E176 WeakPolarHBondContact CA-OE1 3.35Å; N172-E176 PolarHBondContact N-OE1 3.3Å
173Y94.2Very high87.6Confident141 Ų14160.1 Ų60.155%0.55331%0.312SS*.SBendtrans-137.9144.4-175.9-51.9-75.6000112.6H175 E176Y173-H175 WeakPolarHBondContact CB-CE1 3.34Å; Y173-H175 VanDerWaalsContact CB-ND1 3.29Å; Y173-H175 WeakPolarHBondContact CB-ND1 3.22Å; Y173-H175 AromaticContact CD2-CE1 3.78Å; Y173-H175 AromaticContact CG-CE1 3.51Å; Y173-H175 PolarHBondContact O-N 3.38Å; Y173-E176 PolarHBondContact N-OE1 2.9Å; Y173-E176 WeakPolarHBondContact O-CB 3.01Å; Y173-E176 WeakPolarHBondContact O-CG 3.41Å; Y173-E176 PolarHBondContact O-N 3.48Å
174P93.9Very high88.6Confident38 Ų3860.1 Ų60.125%0.24731%0.312CS..G310 helixtrans-58-33.4179.3-27.735.5000114.3Q148 M152 E176 I177Q148-P174 HydrophobicContact CB-CB 3.84Å; Q148-P174 WeakPolarHBondContact CB-O 3.46Å; Q148-P174 PolarHBondContact NE2-O 2.77Å; M152-P174 HydrophobicContact CE-CG 4.19Å; M152-P174 HydrophobicContact SD-CG 3.96Å; P174-E176 PolarHBondContact O-N 3.02Å; P174-E176 VanDerWaalsContact O-N 3.08Å; P174-I177 PolarHBondContact O-N 3.07Å; P174-I177 VanDerWaalsContact O-N 3.1Å
175H93.1Very high89.5Confident134 Ų13454.3 Ų54.362%0.6228%0.281SS*.G310 helixtrans-68-8.4-177.167.6-96.4000114.2Y173 I177Y173-H175 WeakPolarHBondContact CB-CE1 3.34Å; Y173-H175 VanDerWaalsContact CB-ND1 3.29Å; Y173-H175 WeakPolarHBondContact CB-ND1 3.22Å; Y173-H175 AromaticContact CD2-CE1 3.78Å; Y173-H175 AromaticContact CG-CE1 3.51Å; Y173-H175 PolarHBondContact O-N 3.38Å; H175-I177 PolarHBondContact O-N 3.05Å
176E92.1Very high90.1Very high44 Ų4448.8 Ų48.821%0.20625%0.251CS..G310 helixtrans-71.4-18.3172.6-65.4-178.8-11000112.7F171 N172 Y173 P174 R338F171-E176 HydrophobicContact CD1-CB 3.5Å; F171-E176 VanDerWaalsContact CD1-CB 3.5Å; F171-E176 HydrophobicContact CD1-CG 4.36Å; F171-E176 HydrophobicContact CE1-CB 3.87Å; N172-E176 WeakPolarHBondContact CA-OE1 3.35Å; N172-E176 PolarHBondContact N-OE1 3.3Å; Y173-E176 PolarHBondContact N-OE1 2.9Å; Y173-E176 WeakPolarHBondContact O-CB 3.01Å; Y173-E176 WeakPolarHBondContact O-CG 3.41Å; Y173-E176 PolarHBondContact O-N 3.48Å; P174-E176 PolarHBondContact O-N 3.02Å; P174-E176 VanDerWaalsContact O-N 3.08Å; E176-R338 PolarHBondContact O-NH1 3.2Å; E176-R338 PolarHBondContact O-NH2 2.89Å; E176-R338 IonicContact OE2-NH1 3.85Å
177I93Very high91Very high4 Ų446.2 Ų46.22%0.02124%0.238CC..SBendtrans-96.3133176-63.5159.8000108.2F145 Q148 V151 M152 F171 P174 H175F145-I177 HydrophobicContact CD1-CG2 3.8Å; F145-I177 HydrophobicContact CE1-CG2 4.41Å; Q148-I177 PolarHBondContact NE2-O 3.14Å; V151-I177 HydrophobicContact CB-CD1 4.13Å; V151-I177 HydrophobicContact CG1-CD1 3.9Å; V151-I177 HydrophobicContact CG1-CG2 4.32Å; M152-I177 HydrophobicContact CB-CD1 3.77Å; F171-I177 HydrophobicContact CD1-CG1 4.32Å; F171-I177 HydrophobicContact CD2-CD1 4.16Å; F171-I177 HydrophobicContact CD2-CG1 4.31Å; F171-I177 HydrophobicContact CE1-CG1 3.92Å; F171-I177 HydrophobicContact CE2-CD1 4.14Å; F171-I177 HydrophobicContact CE2-CG1 3.97Å; F171-I177 HydrophobicContact CG-CD1 4.49Å; F171-I177 HydrophobicContact CG-CG1 4.46Å; F171-I177 HydrophobicContact CZ-CD1 4.41Å; F171-I177 HydrophobicContact CZ-CG1 3.74Å; P174-I177 PolarHBondContact O-N 3.07Å; P174-I177 VanDerWaalsContact O-N 3.1Å; H175-I177 PolarHBondContact O-N 3.05Å
178L93.4Very high91.4Very high83 Ų8346 Ų4644%0.43524%0.237SC..  trans-82.6128.8177-62.9176.7000110.3N180 S181 T335L178-N180 PolarHBondContact O-N 2.99Å; L178-S181 WeakPolarHBondContact O-CB 3.34Å; L178-S181 PolarHBondContact O-N 3.43Å; L178-S181 VanDerWaalsContact O-N 3.13Å; L178-S181 PolarHBondContact O-OG 2.86Å; L178-T335 HydrophobicContact CD1-CG2 3.86Å
179P94.2Very high91.6Very high58 Ų5842.7 Ų42.738%0.37721%0.214SC..THydrogen-bonded Turntrans-70.7-16.9-174.328.2-34.9000113.7F145 Q148F145-P179 WeakPolarHBondContact O-CA 3.45Å; Q148-P179 HydrophobicContact CG-CB 4.29Å
180N92.7Very high91.5Very high123 Ų12337.9 Ų37.966%0.65819%0.191SC*.THydrogen-bonded Turntrans-100.811.917667.7-48.2000113L178L178-N180 PolarHBondContact O-N 2.99Å
181S93.8Very high91.6Very high4 Ų437.8 Ų37.83%0.02819%0.191CC..  trans-58.2144.8172.5-76.80000110.9F145 L178 N184 T335F145-S181 WeakPolarHBondContact CD2-O 3.35Å; L178-S181 WeakPolarHBondContact O-CB 3.34Å; L178-S181 PolarHBondContact O-N 3.43Å; L178-S181 VanDerWaalsContact O-N 3.13Å; L178-S181 PolarHBondContact O-OG 2.86Å; S181-N184 VanDerWaalsContact CB-ND2 3.28Å; S181-N184 WeakPolarHBondContact CB-ND2 3.41Å; S181-N184 PolarHBondContact OG-ND2 3.35Å; S181-N184 VanDerWaalsContact OG-ND2 3.07Å; S181-N184 PolarHBondContact OG-OD1 3.17Å; S181-T335 VanDerWaalsContact OG-CG2 3.31Å; S181-T335 WeakPolarHBondContact OG-CG2 3.47Å
182L93.9Very high91.3Very high56 Ų5639.7 Ų39.729%0.29320%0.199SC..SBendtrans-113.4-33.9172.2-69.5-178.4000112.1A118 S119 L122 I332A118-L182 CarbonylContact C-O 3.44Å; A118-L182 VanDerWaalsContact CA-O 3.31Å; A118-L182 WeakPolarHBondContact CA-O 3.43Å; S119-L182 PolarHBondContact N-O 2.77Å; L122-L182 HydrophobicContact CD1-CB 4.24Å; L122-L182 VanDerWaalsContact CD1-O 3.3Å; L122-L182 WeakPolarHBondContact CD1-O 3.39Å; L122-L182 HydrophobicContact CD2-CD2 4.49Å; L182-I332 HydrophobicContact CB-CD1 4.42Å; L182-I332 HydrophobicContact CB-CG1 4.23Å
183L96.2Very high91.2Very high0 Ų035.6 Ų35.60%018%0.177CC..EExtended strand (participates in β ladder)trans-146.7119.3179.9-173.565.7000109.4I116 Y117 A118 L323 I326 I332 V334 T335I116-L183 HydrophobicContact CG2-CD1 3.59Å; Y117-L183 CarbonylContact O-C 3.55Å; Y117-L183 WeakPolarHBondContact O-CA 3.25Å; A118-L183 HydrophobicContact CB-CD1 4.14Å; L183-L323 HydrophobicContact CD2-CD1 3.85Å; L183-I326 HydrophobicContact CD2-CD1 3.96Å; L183-I332 HydrophobicContact CB-CD1 4.38Å; L183-V334 HydrophobicContact CD2-CG2 3.95Å; L183-V334 HydrophobicContact CG-CG2 4.45Å; L183-T335 PolarHBondContact O-N 2.69Å
184N96.2Very high91Very high4 Ų429.1 Ų29.12%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-121.8141.5175.7-70.3-31.9000109.8Y117 F145 S181 F186 T335 S336Y117-N184 PolarHBondContact N-O 3.03Å; Y117-N184 PolarHBondContact O-N 2.67Å; F145-N184 HydrophobicContact CE1-CB 4.4Å; F145-N184 WeakPolarHBondContact CE1-ND2 3.32Å; F145-N184 HydrophobicContact CZ-CB 4.18Å; F145-N184 WeakPolarHBondContact CZ-ND2 3.41Å; S181-N184 VanDerWaalsContact CB-ND2 3.28Å; S181-N184 WeakPolarHBondContact CB-ND2 3.41Å; S181-N184 PolarHBondContact OG-ND2 3.35Å; S181-N184 VanDerWaalsContact OG-ND2 3.07Å; S181-N184 PolarHBondContact OG-OD1 3.17Å; N184-F186 HydrophobicContact CB-CE2 3.81Å; N184-F186 HydrophobicContact CB-CZ 3.65Å; N184-T335 WeakPolarHBondContact OD1-CB 3.31Å; N184-S336 CarbonylContact C-O 3.48Å; N184-S336 WeakPolarHBondContact CA-O 3.41Å; N184-S336 WeakPolarHBondContact OD1-CB 3.36Å; N184-S336 PolarHBondContact OD1-N 2.7Å
185L96.3Very high90.9Very high0 Ų027.4 Ų27.40%014%0.141CC..EExtended strand (participates in β ladder)trans-116.6138.2179.8-55175.9000109.5M41 L45 G115 I116 V334 S336 F337 R338M41-L185 HydrophobicContact CG-CD1 4.37Å; M41-L185 HydrophobicContact SD-CB 4.44Å; M41-L185 HydrophobicContact SD-CD2 4.06Å; L45-L185 HydrophobicContact CD1-CD1 3.51Å; L45-L185 HydrophobicContact CD1-CD2 4.19Å; L45-L185 HydrophobicContact CD2-CD2 4.35Å; G115-L185 WeakPolarHBondContact O-CA 3.29Å; I116-L185 HydrophobicContact CB-CD2 4.25Å; I116-L185 HydrophobicContact CG1-CD2 3.97Å; I116-L185 HydrophobicContact CG2-CD2 3.92Å; L185-V334 HydrophobicContact CD1-CB 4.44Å; L185-V334 HydrophobicContact CD1-CG1 3.78Å; L185-V334 HydrophobicContact CD1-CG2 3.76Å; L185-V334 HydrophobicContact CG-CG1 3.88Å; L185-V334 HydrophobicContact CG-CG2 4.19Å; L185-S336 PolarHBondContact N-O 2.58Å; L185-F337 HydrophobicContact CB-CB 4.09Å; L185-F337 HydrophobicContact CB-CD1 4.33Å; L185-F337 HydrophobicContact CB-CD2 3.41Å; L185-F337 VanDerWaalsContact CB-CD2 3.41Å; L185-F337 HydrophobicContact CB-CE2 3.89Å; L185-F337 HydrophobicContact CB-CG 3.69Å; L185-F337 HydrophobicContact CD1-CB 4.35Å; L185-F337 HydrophobicContact CD1-CD1 3.79Å; L185-F337 HydrophobicContact CD1-CD2 4.35Å; L185-F337 HydrophobicContact CD1-CE1 4.13Å; L185-F337 HydrophobicContact CD1-CG 3.93Å; L185-F337 HydrophobicContact CG-CG 4.43Å; L185-F337 WeakPolarHBondContact O-CA 3.5Å; L185-F337 WeakPolarHBondContact O-CD2 3.18Å; L185-R338 PolarHBondContact O-N 3.19Å
186F92.1Very high90.9Very high1 Ų126 Ų260%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-131.2139.1175-52.3-72.7000109.6N114 G115 Y117 I155 F170 F171 N184 R338N114-F186 CarbonylContact C-O 3.51Å; N114-F186 VanDerWaalsContact CA-O 3.3Å; N114-F186 WeakPolarHBondContact CA-O 3.5Å; G115-F186 PolarHBondContact N-O 3.38Å; G115-F186 PolarHBondContact O-N 2.93Å; Y117-F186 AromaticContact CD2-CD2 3.37Å; Y117-F186 HydrophobicContact CD2-CD2 3.37Å; Y117-F186 AromaticContact CD2-CE2 3.54Å; Y117-F186 HydrophobicContact CD2-CE2 3.54Å; Y117-F186 AromaticContact CE2-CD2 3.65Å; Y117-F186 HydrophobicContact CE2-CD2 3.65Å; Y117-F186 HydrophobicContact CE2-CE2 4.12Å; Y117-F186 HydrophobicContact CG-CD2 4.25Å; Y117-F186 AromaticContact CG-CE2 3.96Å; Y117-F186 HydrophobicContact CG-CE2 3.96Å; I155-F186 HydrophobicContact CD1-CD2 4.38Å; I155-F186 HydrophobicContact CD1-CE2 3.57Å; I155-F186 HydrophobicContact CD1-CZ 3.76Å; I155-F186 HydrophobicContact CG1-CE2 4.29Å; I155-F186 HydrophobicContact CG2-CD2 4.41Å; F170-F186 HydrophobicContact CD1-CD1 4.47Å; F170-F186 AromaticContact CE1-CD1 3.58Å; F170-F186 HydrophobicContact CE1-CD1 3.58Å; F170-F186 AromaticContact CE1-CE1 3.98Å; F170-F186 HydrophobicContact CE1-CE1 3.98Å; F170-F186 AromaticContact CZ-CD1 3.72Å; F170-F186 HydrophobicContact CZ-CD1 3.72Å; F171-F186 AromaticContact CE2-CE1 3.83Å; F171-F186 HydrophobicContact CE2-CE1 3.83Å; F171-F186 AromaticContact CE2-CZ 3.99Å; F171-F186 HydrophobicContact CE2-CZ 3.99Å; F171-F186 HydrophobicContact CZ-CD1 4.45Å; F171-F186 AromaticContact CZ-CE1 3.51Å; F171-F186 HydrophobicContact CZ-CE1 3.51Å; F171-F186 AromaticContact CZ-CZ 3.87Å; F171-F186 HydrophobicContact CZ-CZ 3.87Å; N184-F186 HydrophobicContact CB-CE2 3.81Å; N184-F186 HydrophobicContact CB-CZ 3.65Å; F186-R338 VanDerWaalsContact CA-O 3.31Å; F186-R338 WeakPolarHBondContact CA-O 3.36Å; F186-R338 HydrophobicContact CD1-CB 4.23Å; F186-R338 HydrophobicContact CE1-CB 4.49Å
187S89.3Confident90.9Very high0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-130.8144.3170.7-170.10000111.1G37 A113 N114 R338 Q339 K340G37-S187 WeakPolarHBondContact CA-OG 3.37Å; G37-S187 PolarHBondContact O-OG 2.84Å; G37-S187 VanDerWaalsContact O-OG 3.12Å; A113-S187 WeakPolarHBondContact O-CA 3.46Å; N114-S187 WeakPolarHBondContact OD1-CB 3.41Å; N114-S187 PolarHBondContact OD1-OG 3.45Å; S187-R338 PolarHBondContact N-O 3.13Å; S187-R338 VanDerWaalsContact N-O 3.07Å; S187-Q339 WeakPolarHBondContact O-CA 3.37Å; S187-K340 PolarHBondContact O-N 2.96Å
188V84.7Confident90.8Very high2 Ų226.6 Ų26.61%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-132.5125.2170.1179.20000107.8A113 I159 T163 I167A113-V188 PolarHBondContact N-O 2.89Å; A113-V188 PolarHBondContact O-N 3.35Å; I159-V188 HydrophobicContact CD1-CG2 4.28Å; I159-V188 HydrophobicContact CG1-CG2 4.39Å; I159-V188 HydrophobicContact CG2-CG2 3.95Å; T163-V188 HydrophobicContact CG2-CB 4.47Å; T163-V188 HydrophobicContact CG2-CG1 3.63Å; I167-V188 HydrophobicContact CD1-CG1 3.54Å; I167-V188 HydrophobicContact CD1-CG2 4.42Å
189F84.7Confident90.7Very high1 Ų123 Ų230%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-117.7133.2170.2-173.6-92.9000108.7S34 F36 I110 L112 L391 F392S34-F189 WeakPolarHBondContact OG-CD1 3.37Å; S34-F189 WeakPolarHBondContact OG-CG 3.09Å; F36-F189 HydrophobicContact CB-CD2 3.59Å; F36-F189 HydrophobicContact CB-CE2 3.52Å; F36-F189 HydrophobicContact CB-CG 4.17Å; F36-F189 HydrophobicContact CB-CZ 4.08Å; F36-F189 HydrophobicContact CD2-CZ 4.34Å; F36-F189 HydrophobicContact CG-CE2 4.17Å; F36-F189 HydrophobicContact CG-CZ 4.35Å; I110-F189 HydrophobicContact CD1-CZ 4.4Å; I110-F189 HydrophobicContact CG1-CZ 4.48Å; I110-F189 HydrophobicContact CG2-CD2 4.4Å; I110-F189 HydrophobicContact CG2-CE2 3.51Å; I110-F189 HydrophobicContact CG2-CZ 3.67Å; L112-F189 HydrophobicContact CD1-CD2 4.21Å; F189-L391 HydrophobicContact CE1-CB 4.24Å; F189-F392 HydrophobicContact CD1-CD2 4.35Å; F189-F392 HydrophobicContact CD1-CE1 4.24Å; F189-F392 AromaticContact CD1-CE2 3.49Å; F189-F392 HydrophobicContact CD1-CE2 3.49Å; F189-F392 VanDerWaalsContact CD1-CE2 3.49Å; F189-F392 AromaticContact CD1-CZ 3.46Å; F189-F392 HydrophobicContact CD1-CZ 3.46Å; F189-F392 VanDerWaalsContact CD1-CZ 3.46Å; F189-F392 HydrophobicContact CE1-CD2 4.14Å; F189-F392 AromaticContact CE1-CE2 3.52Å; F189-F392 HydrophobicContact CE1-CE2 3.52Å; F189-F392 HydrophobicContact CE1-CZ 4.01Å; F189-F392 WeakPolarHBondContact O-CZ 3.47Å
190Y82.3Confident90.4Very high10 Ų1022.8 Ų22.84%0.03912%0.117CC..EExtended strand (participates in β ladder)trans-139.1137.9-174169.5-103.6000110.3I110 T111 L166 K192 E351I110-Y190 WeakPolarHBondContact CA-O 3.34Å; T111-Y190 PolarHBondContact N-O 3.26Å; T111-Y190 PolarHBondContact O-N 2.75Å; L166-Y190 HydrophobicContact CD1-CD1 4.32Å; L166-Y190 HydrophobicContact CD1-CD2 4.06Å; L166-Y190 HydrophobicContact CD1-CE1 3.67Å; L166-Y190 HydrophobicContact CD1-CE2 3.39Å; L166-Y190 HydrophobicContact CD1-CG 4.48Å; L166-Y190 VanDerWaalsContact CD1-OH 3.27Å; L166-Y190 WeakPolarHBondContact CD1-OH 3.47Å; Y190-K192 HydrophobicContact CD1-CB 4.49Å; Y190-K192 HydrophobicContact CE1-CB 3.52Å; Y190-K192 HydrophobicContact CE1-CD 4.12Å; Y190-K192 HydrophobicContact CE1-CG 4.21Å; Y190-K192 VanDerWaalsContact OH-CB 3.28Å; Y190-K192 WeakPolarHBondContact OH-CB 3.47Å; Y190-K192 WeakPolarHBondContact OH-CD 3.45Å; Y190-K192 WeakPolarHBondContact OH-CG 3.24Å; Y190-E351 HydrophobicContact CE2-CG 4.26Å; Y190-E351 PolarHBondContact OH-OE2 3.23Å
191F86.3Confident90.3Very high0 Ų022.5 Ų22.50%011%0.111CC..EExtended strand (participates in β ladder)trans-121139175.3173.9-79.7000109.7V109 I110 D193 F245 F250 M350 V382 L391 F392V109-F191 HydrophobicContact CG1-CD2 3.79Å; V109-F191 HydrophobicContact CG1-CE2 3.39Å; V109-F191 HydrophobicContact CG1-CZ 3.89Å; V109-F191 CarbonylContact O-C 3.54Å; V109-F191 VanDerWaalsContact O-CA 3.3Å; V109-F191 WeakPolarHBondContact O-CA 3.25Å; I110-F191 HydrophobicContact CG1-CD2 4.17Å; F191-D193 HydrophobicContact CE1-CB 3.84Å; F191-D193 HydrophobicContact CZ-CB 3.86Å; F191-F245 HydrophobicContact CE1-CD1 4.19Å; F191-F245 HydrophobicContact CE1-CD2 4.1Å; F191-F245 AromaticContact CE1-CE1 3.94Å; F191-F245 HydrophobicContact CE1-CE1 3.94Å; F191-F245 AromaticContact CE1-CE2 3.84Å; F191-F245 HydrophobicContact CE1-CE2 3.84Å; F191-F245 HydrophobicContact CE1-CG 4.26Å; F191-F245 AromaticContact CE1-CZ 3.76Å; F191-F245 HydrophobicContact CE1-CZ 3.76Å; F191-F245 AromaticContact CZ-CD2 3.83Å; F191-F245 HydrophobicContact CZ-CD2 3.83Å; F191-F245 AromaticContact CZ-CE2 3.92Å; F191-F245 HydrophobicContact CZ-CE2 3.92Å; F191-F245 HydrophobicContact CZ-CG 4.14Å; F191-F245 HydrophobicContact CZ-CZ 4.31Å; F191-F250 HydrophobicContact CE2-CB 3.86Å; F191-F250 AromaticContact CE2-CD1 3.98Å; F191-F250 HydrophobicContact CE2-CD1 3.98Å; F191-F250 AromaticContact CE2-CD2 3.72Å; F191-F250 HydrophobicContact CE2-CD2 3.72Å; F191-F250 HydrophobicContact CE2-CE1 4.49Å; F191-F250 HydrophobicContact CE2-CE2 4.24Å; F191-F250 AromaticContact CE2-CG 3.56Å; F191-F250 HydrophobicContact CE2-CG 3.56Å; F191-F250 HydrophobicContact CZ-CB 3.78Å; F191-F250 HydrophobicContact CZ-CD2 4.13Å; F191-F250 AromaticContact CZ-CG 3.97Å; F191-F250 HydrophobicContact CZ-CG 3.97Å; F191-M350 HydrophobicContact CB-CE 3.87Å; F191-M350 HydrophobicContact CB-SD 4.42Å; F191-M350 HydrophobicContact CD1-CB 4.14Å; F191-M350 HydrophobicContact CD1-CE 4.04Å; F191-M350 HydrophobicContact CD1-CG 4Å; F191-M350 HydrophobicContact CD1-SD 3.46Å; F191-M350 WeakPolarHBondContact CD1-SD 3.42Å; F191-M350 HydrophobicContact CE1-CB 4.32Å; F191-M350 HydrophobicContact CE1-SD 4.17Å; F191-M350 HydrophobicContact CG-CE 4.41Å; F191-M350 HydrophobicContact CG-SD 4.34Å; F191-M350 WeakPolarHBondContact O-CE 3.32Å; F191-M350 WeakPolarHBondContact O-CG 3.12Å; F191-V382 HydrophobicContact CD1-CG1 4.1Å; F191-V382 HydrophobicContact CD2-CG1 3.87Å; F191-V382 HydrophobicContact CE1-CG1 4.02Å; F191-V382 HydrophobicContact CE2-CG1 3.79Å; F191-V382 HydrophobicContact CG-CG1 4.02Å; F191-V382 HydrophobicContact CZ-CG1 3.87Å; F191-L391 HydrophobicContact CD2-CD1 3.91Å; F191-L391 HydrophobicContact CE2-CD1 4.2Å; F191-F392 HydrophobicContact CB-CD2 4.08Å; F191-F392 HydrophobicContact CB-CE2 3.54Å
192K84Confident90.1Very high44 Ų4429.6 Ų29.619%0.19115%0.146CC..  trans-141.3112.3-177.7-167.1179.8-166.7-169.10111.3I102 S107 V109 Y190 E351I102-K192 HydrophobicContact CD1-CD 3.79Å; I102-K192 VanDerWaalsContact CD1-CE 3.49Å; I102-K192 HydrophobicContact CD1-CG 3.72Å; S107-K192 PolarHBondContact OG-NZ 3.46Å; V109-K192 VanDerWaalsContact CA-O 3.31Å; V109-K192 WeakPolarHBondContact CA-O 3.18Å; V109-K192 PolarHBondContact O-N 2.87Å; Y190-K192 HydrophobicContact CD1-CB 4.49Å; Y190-K192 HydrophobicContact CE1-CB 3.52Å; Y190-K192 HydrophobicContact CE1-CD 4.12Å; Y190-K192 HydrophobicContact CE1-CG 4.21Å; Y190-K192 VanDerWaalsContact OH-CB 3.28Å; Y190-K192 WeakPolarHBondContact OH-CB 3.47Å; Y190-K192 WeakPolarHBondContact OH-CD 3.45Å; Y190-K192 WeakPolarHBondContact OH-CG 3.24Å; K192-E351 WeakPolarHBondContact CE-O 3.29Å; K192-E351 HydrophobicContact CG-CB 4.22Å
193D88.5Confident90.1Very high0 Ų031.5 Ų31.50%015%0.152CC..  trans-153.2168165.4-155.20.1000111T100 V109 F191 F245 N247 G349 M350T100-D193 VanDerWaalsContact CB-OD1 3.24Å; T100-D193 WeakPolarHBondContact CB-OD1 3.45Å; T100-D193 PolarHBondContact OG1-OD1 3.45Å; V109-D193 HydrophobicContact CG1-CB 4.34Å; F191-D193 HydrophobicContact CE1-CB 3.84Å; F191-D193 HydrophobicContact CZ-CB 3.86Å; D193-F245 HydrophobicContact CB-CB 3.95Å; D193-F245 HydrophobicContact CB-CD1 3.94Å; D193-F245 HydrophobicContact CB-CG 4.1Å; D193-F245 VanDerWaalsContact OD2-CB 3.28Å; D193-F245 WeakPolarHBondContact OD2-CB 3.18Å; D193-N247 WeakPolarHBondContact OD2-CA 3.48Å; D193-N247 WeakPolarHBondContact OD2-CB 3.25Å; D193-N247 PolarHBondContact OD2-N 3Å; D193-G349 WeakPolarHBondContact O-CA 3.27Å; D193-M350 PolarHBondContact O-N 3.13Å
194V90Very high90Very high5 Ų532.9 Ų32.93%0.0316%0.161CC..BIsolated β-bridgetrans-96.6154.7172.5-58.80000110.7I102 F245 K246 V348 A352I102-V194 HydrophobicContact CD1-CG1 4.3Å; I102-V194 HydrophobicContact CG1-CG1 3.96Å; V194-F245 CarbonylContact O-C 3.59Å; V194-F245 VanDerWaalsContact O-CA 3.25Å; V194-F245 WeakPolarHBondContact O-CA 3.16Å; V194-F245 WeakPolarHBondContact O-CB 3.19Å; V194-K246 HydrophobicContact CG2-CB 3.46Å; V194-K246 VanDerWaalsContact CG2-CB 3.46Å; V194-K246 HydrophobicContact CG2-CD 3.36Å; V194-K246 HydrophobicContact CG2-CG 4.06Å; V194-K246 PolarHBondContact O-N 2.83Å; V194-V348 CarbonylContact C-O 3.47Å; V194-V348 VanDerWaalsContact CA-O 3.24Å; V194-V348 WeakPolarHBondContact CA-O 3.46Å; V194-V348 HydrophobicContact CB-CG1 4.37Å; V194-V348 VanDerWaalsContact CB-O 3.26Å; V194-V348 WeakPolarHBondContact CB-O 3.34Å; V194-V348 HydrophobicContact CG1-CG1 3.89Å; V194-A352 HydrophobicContact CB-CB 4.43Å; V194-A352 HydrophobicContact CG1-CB 3.12Å
195W92.6Very high90Very high3 Ų339.4 Ų39.41%0.01119%0.191CC..BIsolated β-bridgetrans-60.9143.8169.9-59.5120.9000110.2V197 F199 K243 F245 F252 L292 I345 D346 V348 G349W195-V197 WeakPolarHBondContact CB-O 3.39Å; W195-V197 PolarHBondContact O-N 3.36Å; W195-F199 AromaticContact CD1-CD2 3.75Å; W195-F199 AromaticContact CD1-CE2 3.94Å; W195-F199 HydrophobicContact CG-CE2 4.47Å; W195-F199 AromaticContact NE1-CD2 3.73Å; W195-F199 AromaticContact NE1-CE2 3.65Å; W195-K243 HydrophobicContact CD2-CD 4.01Å; W195-K243 HydrophobicContact CE3-CD 3.71Å; W195-K243 HydrophobicContact CE3-CG 3.84Å; W195-K243 VanDerWaalsContact CG-CE 3.5Å; W195-K243 HydrophobicContact CZ3-CB 4.43Å; W195-K243 HydrophobicContact CZ3-CD 4Å; W195-K243 HydrophobicContact CZ3-CG 4.08Å; W195-F245 HydrophobicContact CD2-CD1 4.48Å; W195-F245 HydrophobicContact CD2-CE1 4.38Å; W195-F245 AromaticContact CE3-CD1 3.75Å; W195-F245 HydrophobicContact CE3-CD1 3.75Å; W195-F245 AromaticContact CE3-CE1 3.71Å; W195-F245 HydrophobicContact CE3-CE1 3.71Å; W195-F245 HydrophobicContact CE3-CG 4.44Å; W195-F245 HydrophobicContact CE3-CZ 4.36Å; W195-F245 AromaticContact CH2-CE1 3.66Å; W195-F245 HydrophobicContact CH2-CE1 3.66Å; W195-F245 AromaticContact CH2-CZ 3.81Å; W195-F245 HydrophobicContact CH2-CZ 3.81Å; W195-F245 HydrophobicContact CZ2-CE1 4.34Å; W195-F245 AromaticContact CZ3-CD1 3.78Å; W195-F245 HydrophobicContact CZ3-CD1 3.78Å; W195-F245 AromaticContact CZ3-CE1 3.31Å; W195-F245 HydrophobicContact CZ3-CE1 3.31Å; W195-F245 HydrophobicContact CZ3-CE2 4.2Å; W195-F245 HydrophobicContact CZ3-CG 4.41Å; W195-F245 AromaticContact CZ3-CZ 3.55Å; W195-F245 HydrophobicContact CZ3-CZ 3.55Å; W195-F252 HydrophobicContact CH2-CB 3.55Å; W195-F252 AromaticContact CH2-CD1 3.82Å; W195-F252 HydrophobicContact CH2-CD1 3.82Å; W195-F252 HydrophobicContact CH2-CD2 4.33Å; W195-F252 AromaticContact CH2-CG 3.66Å; W195-F252 HydrophobicContact CH2-CG 3.66Å; W195-F252 HydrophobicContact CZ3-CB 3.45Å; W195-F252 VanDerWaalsContact CZ3-CB 3.45Å; W195-F252 HydrophobicContact CZ3-CD1 4.42Å; W195-F252 HydrophobicContact CZ3-CG 4.11Å; W195-L292 HydrophobicContact CZ2-CD2 4.35Å; W195-I345 HydrophobicContact CH2-CD1 4.08Å; W195-I345 HydrophobicContact CZ2-CD1 4.02Å; W195-I345 HydrophobicContact CZ2-CG2 4.16Å; W195-D346 PolarHBondContact NE1-O 2.69Å; W195-V348 VanDerWaalsContact CD1-C 3.43Å; W195-V348 PolarHBondContact N-O 3.18Å; W195-G349 VanDerWaalsContact CD1-CA 3.5Å
196E92.1Very high90Very high104 Ų10445 Ų4549%0.48622%0.221SC..SBendtrans-57-42168.6-177.3175.2-166.300110.1S244E196-S244 PolarHBondContact N-O 2.78Å; E196-S244 VanDerWaalsContact N-O 3.08Å; E196-S244 WeakPolarHBondContact OE2-CB 3.32Å
197V91.7Very high90.1Very high50 Ų5046.6 Ų46.630%0.30323%0.234SC..SBendtrans-120.5100.4171.8-1770000108.6W195 N224 E226 K243 M359W195-V197 WeakPolarHBondContact CB-O 3.39Å; W195-V197 PolarHBondContact O-N 3.36Å; V197-N224 WeakPolarHBondContact CG1-ND2 3.27Å; V197-E226 WeakPolarHBondContact CB-OE2 3.41Å; V197-K243 PolarHBondContact O-NZ 2.62Å; V197-M359 HydrophobicContact CG1-CE 3.6Å
198P92.1Very high90.5Very high11 Ų1149 Ų497%0.07125%0.249CC..PPolyproline II helixtrans-61.9153.8177.1-24.835.3000113.4V355P198-V355 HydrophobicContact CG-CB 4.39Å
199F91.9Very high91.1Very high6 Ų648.9 Ų48.93%0.02625%0.248CC..PPolyproline II helixtrans-77149.3165.2-59.3-92.7000109.5W195 M222 N224 K243 L290 L292 E347W195-F199 AromaticContact CD1-CD2 3.75Å; W195-F199 AromaticContact CD1-CE2 3.94Å; W195-F199 HydrophobicContact CG-CE2 4.47Å; W195-F199 AromaticContact NE1-CD2 3.73Å; W195-F199 AromaticContact NE1-CE2 3.65Å; F199-M222 HydrophobicContact CB-CB 4.06Å; F199-M222 HydrophobicContact CD1-CB 3.66Å; F199-M222 HydrophobicContact CD2-CB 4.23Å; F199-M222 HydrophobicContact CD2-CE 4.23Å; F199-M222 HydrophobicContact CD2-SD 4.14Å; F199-M222 HydrophobicContact CE1-CB 4.13Å; F199-M222 HydrophobicContact CE2-CE 4.11Å; F199-M222 HydrophobicContact CG-CB 3.72Å; F199-M222 HydrophobicContact CG-SD 4.43Å; F199-N224 HydrophobicContact CD1-CB 3.73Å; F199-N224 HydrophobicContact CE1-CB 3.9Å; F199-K243 HydrophobicContact CE2-CD 4.22Å; F199-K243 HydrophobicContact CZ-CD 4.17Å; F199-L290 HydrophobicContact CE1-CD2 4.09Å; F199-L290 HydrophobicContact CE1-CG 4.3Å; F199-L290 HydrophobicContact CZ-CD2 3.74Å; F199-L290 HydrophobicContact CZ-CG 4.33Å; F199-L292 HydrophobicContact CE2-CD2 3.99Å; F199-L292 HydrophobicContact CZ-CB 4.11Å; F199-L292 HydrophobicContact CZ-CD2 3.87Å; F199-E347 HydrophobicContact CB-CB 3.97Å; F199-E347 HydrophobicContact CB-CG 4.11Å; F199-E347 PolarHBondContact N-O 3.05Å
200M87.8Confident91.6Very high55 Ų5551.1 Ų51.127%0.27126%0.259SS..PPolyproline II helixtrans-88.8121.6172.2-69.4-71.7176.500109.3M202 F203 N357M200-M202 HydrophobicContact CB-CG 4.07Å; M200-M202 PolarHBondContact O-N 2.99Å; M200-M202 VanDerWaalsContact O-N 3.09Å; M200-F203 HydrophobicContact CB-CD2 3.61Å; M200-F203 HydrophobicContact CB-CE2 4.02Å; M200-F203 HydrophobicContact CB-CG 4.33Å; M200-F203 HydrophobicContact CG-CD2 4.23Å; M200-F203 HydrophobicContact CG-CE2 4.22Å; M200-F203 PolarHBondContact O-N 2.96Å; M200-N357 VanDerWaalsContact CE-C 3.46Å; M200-N357 WeakPolarHBondContact CE-O 3.22Å
201E89.7Confident92.2Very high117 Ų11752.2 Ų52.255%0.54727%0.265SS..G310 helixtrans-54.2-32.2179.2-67.6-178.1-165.800113.1F203 T204 E347E201-F203 PolarHBondContact O-N 3.15Å; E201-T204 WeakPolarHBondContact O-CB 3.13Å; E201-T204 PolarHBondContact O-N 2.91Å; E201-E347 HydrophobicContact CB-CG 4.49Å; E201-E347 HydrophobicContact CG-CB 3.96Å; E201-E347 HydrophobicContact CG-CG 3.85Å
202M90.9Very high92.5Very high153 Ų15353.7 Ų53.775%0.75428%0.275SS*.G310 helixtrans-66.3-14.9176.865.6178.4-71.700114.4M200M200-M202 HydrophobicContact CB-CG 4.07Å; M200-M202 PolarHBondContact O-N 2.99Å; M200-M202 VanDerWaalsContact O-N 3.09Å
203F92.4Very high92.7Very high95 Ų9556.9 Ų56.942%0.41730%0.303SS..G310 helixtrans-101.60173.5-58.9-40.7000112.8M200 E201 E205 F223M200-F203 HydrophobicContact CB-CD2 3.61Å; M200-F203 HydrophobicContact CB-CE2 4.02Å; M200-F203 HydrophobicContact CB-CG 4.33Å; M200-F203 HydrophobicContact CG-CD2 4.23Å; M200-F203 HydrophobicContact CG-CE2 4.22Å; M200-F203 PolarHBondContact O-N 2.96Å; E201-F203 PolarHBondContact O-N 3.15Å; F203-E205 PolarHBondContact O-N 3.41Å; F203-F223 HydrophobicContact CB-CB 4.23Å; F203-F223 HydrophobicContact CB-CD1 4.22Å
204T95.2Very high92.9Very high30 Ų3062.9 Ų62.918%0.18434%0.335CS..  trans-75.6120.5171-61.80000109.3E201 P220 I221 M222 E347E201-T204 WeakPolarHBondContact O-CB 3.13Å; E201-T204 PolarHBondContact O-N 2.91Å; T204-P220 HydrophobicContact CG2-CB 3.64Å; T204-I221 VanDerWaalsContact CA-O 3.31Å; T204-I221 WeakPolarHBondContact CA-O 3.13Å; T204-M222 HydrophobicContact CG2-CG 4.36Å; T204-E347 WeakPolarHBondContact CB-OE1 3.4Å; T204-E347 WeakPolarHBondContact CG2-OE1 3.46Å; T204-E347 VanDerWaalsContact OG1-CG 3.32Å; T204-E347 WeakPolarHBondContact OG1-CG 3.34Å; T204-E347 PolarHBondContact OG1-OE1 3.1Å
205E95Very high93.2Very high140 Ų14071.1 Ų71.165%0.65437%0.366SS*.EExtended strand (participates in β ladder)trans-127.3146.1-179.8-65.6-174.9167.400111F203 A207 I221F203-E205 PolarHBondContact O-N 3.41Å; E205-A207 PolarHBondContact O-N 2.72Å; E205-I221 PolarHBondContact N-O 3.43Å; E205-I221 PolarHBondContact O-N 2.9Å
206N96.3Very high93.3Very high117 Ų11776.9 Ų76.963%0.62639%0.393SS*.EExtended strand (participates in β ladder)trans-69.5122.4170.5-78.2-32.4000109.7V219N206-V219 WeakPolarHBondContact CA-O 3.28Å
207A95.5Very high93.4Very high35 Ų3573.9 Ų73.929%0.28938%0.38SS..EExtended strand (participates in β ladder)trans-136.8168.417700000111.9E205 Q218 V219 I221E205-A207 PolarHBondContact O-N 2.72Å; A207-Q218 WeakPolarHBondContact O-CA 3.15Å; A207-Q218 PolarHBondContact O-OE1 3.17Å; A207-V219 PolarHBondContact N-O 2.69Å; A207-V219 PolarHBondContact O-N 3.35Å; A207-I221 HydrophobicContact CB-CB 4.35Å; A207-I221 HydrophobicContact CB-CG1 3.74Å
208T96.5Very high93.7Very high50 Ų5076.6 Ų76.631%0.30739%0.389SS..EExtended strand (participates in β ladder)trans-76.2131.3-177.2-55.80000110.9Q216 I217 Q218T208-Q216 HydrophobicContact CG2-CB 3.76Å; T208-Q216 HydrophobicContact CG2-CG 4.06Å; T208-I217 WeakPolarHBondContact CA-O 3.3Å; T208-Q218 PolarHBondContact OG1-NE2 2.76Å
209F97.2Very high93.9Very high0 Ų076.3 Ų76.30%039%0.387CS..EExtended strand (participates in β ladder)trans-118.4124.5168-170.8-79.9000109.8I211 Q216 I217 V219 P293 I374 T375 H376 P377 F378 I397 P399F209-I211 HydrophobicContact CD1-CG1 4.24Å; F209-I211 PolarHBondContact O-N 3.28Å; F209-Q216 CarbonylContact O-C 3.42Å; F209-Q216 WeakPolarHBondContact O-CA 3.43Å; F209-I217 HydrophobicContact CB-CG1 4.2Å; F209-I217 PolarHBondContact N-O 3.32Å; F209-I217 PolarHBondContact O-N 3.06Å; F209-V219 HydrophobicContact CB-CG2 3.69Å; F209-V219 HydrophobicContact CD2-CG2 4.48Å; F209-V219 HydrophobicContact CG-CG2 4.41Å; F209-P293 HydrophobicContact CE2-CG 4.21Å; F209-I374 HydrophobicContact CE2-CG2 4.38Å; F209-T375 CarbonylContact C-O 3.57Å; F209-T375 WeakPolarHBondContact CA-O 3.33Å; F209-H376 WeakPolarHBondContact CE2-O 3.48Å; F209-H376 WeakPolarHBondContact CZ-O 3.32Å; F209-P377 HydrophobicContact CE1-CG 4.44Å; F209-F378 HydrophobicContact CE2-CD1 4.32Å; F209-F378 HydrophobicContact CE2-CE1 4.16Å; F209-F378 HydrophobicContact CZ-CD1 4.21Å; F209-F378 HydrophobicContact CZ-CE1 4.24Å; F209-I397 WeakPolarHBondContact CE1-O 3.35Å; F209-P399 HydrophobicContact CB-CG 4.49Å; F209-P399 HydrophobicContact CD1-CG 3.98Å; F209-P399 HydrophobicContact CD2-CG 3.73Å; F209-P399 HydrophobicContact CE1-CG 4.05Å; F209-P399 HydrophobicContact CE2-CG 3.8Å; F209-P399 HydrophobicContact CG-CG 3.81Å; F209-P399 HydrophobicContact CZ-CG 3.94Å
210E96.7Very high94.1Very high49 Ų4976.6 Ų76.623%0.22939%0.39CS..EExtended strand (participates in β ladder)trans-92.495.5-173.9-69.9171.9-122.200110.9K260 T375 P377E210-K260 IonicContact OE1-NZ 2.61Å; E210-K260 PolarHBondContact OE1-NZ 3.44Å; E210-K260 WeakPolarHBondContact OE2-CD 3.33Å; E210-K260 IonicContact OE2-NZ 2.8Å; E210-K260 PolarHBondContact OE2-NZ 3.46Å; E210-T375 PolarHBondContact N-O 3.11Å; E210-P377 WeakPolarHBondContact O-CD 3.09Å
211I94Very high94.6Very high32 Ų3274.3 Ų74.316%0.16438%0.379CS..EExtended strand (participates in β ladder)trans-68.4-40.4-179-57171.1000111.3F209 R215 I217 I397 K398F209-I211 HydrophobicContact CD1-CG1 4.24Å; F209-I211 PolarHBondContact O-N 3.28Å; I211-R215 HydrophobicContact CB-CB 4.43Å; I211-R215 PolarHBondContact N-O 3.39Å; I211-I217 HydrophobicContact CD1-CB 4.36Å; I211-I217 HydrophobicContact CD1-CD1 4.02Å; I211-I217 HydrophobicContact CD1-CG1 3.89Å; I211-I217 HydrophobicContact CD1-CG2 3.64Å; I211-I217 HydrophobicContact CG1-CD1 4.45Å; I211-I217 HydrophobicContact CG1-CG1 4.16Å; I211-I397 HydrophobicContact CG2-CG2 3.86Å; I211-K398 HydrophobicContact CD1-CB 4.19Å; I211-K398 HydrophobicContact CD1-CD 4.01Å; I211-K398 HydrophobicContact CD1-CG 3.76Å; I211-K398 HydrophobicContact CG1-CB 4.47Å; I211-K398 HydrophobicContact CG1-CG 4.41Å
212S91.7Very high94.9Very high32 Ų3268.8 Ų68.822%0.22435%0.352CS..EExtended strand (participates in β ladder)trans-150.9171.4179.862.70000109.9N214 R215 W261S212-N214 PolarHBondContact O-N 2.9Å; S212-N214 PolarHBondContact OG-OD1 2.81Å; S212-R215 PolarHBondContact N-O 2.81Å; S212-R215 VanDerWaalsContact N-O 3.11Å; S212-R215 PolarHBondContact O-N 3.37Å; S212-R215 VanDerWaalsContact O-O 3.09Å; S212-R215 WeakPolarHBondContact OG-CB 3.5Å; S212-R215 PolarHBondContact OG-N 3.47Å; S212-W261 VanDerWaalsContact CA-CD1 3.42Å
213S90Very high95.1Very high110 Ų11064.3 Ų64.377%0.76933%0.329SS*.THydrogen-bonded Turntrans-56.5-18.9177.857.50000114.2
214N92.5Very high95.1Very high127 Ų12760.5 Ų60.568%0.67931%0.313SS*.THydrogen-bonded Turntrans-123.93.9-178.164.1-4.9000114.2S212S212-N214 PolarHBondContact O-N 2.9Å; S212-N214 PolarHBondContact OG-OD1 2.81Å
215R94.5Very high95Very high177 Ų17761.6 Ų61.667%0.66832%0.316SS*.EExtended strand (participates in β ladder)trans-137.1132.1178.9-60.3-168.6-133-177.45.7111.3I211 S212I211-R215 HydrophobicContact CB-CB 4.43Å; I211-R215 PolarHBondContact N-O 3.39Å; S212-R215 PolarHBondContact N-O 2.81Å; S212-R215 VanDerWaalsContact N-O 3.11Å; S212-R215 PolarHBondContact O-N 3.37Å; S212-R215 VanDerWaalsContact O-O 3.09Å; S212-R215 WeakPolarHBondContact OG-CB 3.5Å; S212-R215 PolarHBondContact OG-N 3.47Å
216Q95Very high94.9Very high124 Ų12455.7 Ų55.758%0.57929%0.289SS*.EExtended strand (participates in β ladder)trans-136.1155.4173.668.3-17237.600109.8T208 F209T208-Q216 HydrophobicContact CG2-CB 3.76Å; T208-Q216 HydrophobicContact CG2-CG 4.06Å; F209-Q216 CarbonylContact O-C 3.42Å; F209-Q216 WeakPolarHBondContact O-CA 3.43Å
217I95.8Very high94.8Very high42 Ų4255.2 Ų55.222%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-132.1160.8175.155.8167.4000109.9T208 F209 I211 V219 K398T208-I217 WeakPolarHBondContact CA-O 3.3Å; F209-I217 HydrophobicContact CB-CG1 4.2Å; F209-I217 PolarHBondContact N-O 3.32Å; F209-I217 PolarHBondContact O-N 3.06Å; I211-I217 HydrophobicContact CD1-CB 4.36Å; I211-I217 HydrophobicContact CD1-CD1 4.02Å; I211-I217 HydrophobicContact CD1-CG1 3.89Å; I211-I217 HydrophobicContact CD1-CG2 3.64Å; I211-I217 HydrophobicContact CG1-CD1 4.45Å; I211-I217 HydrophobicContact CG1-CG1 4.16Å; I217-V219 HydrophobicContact CD1-CG1 3.48Å; I217-V219 VanDerWaalsContact CD1-CG1 3.48Å; I217-V219 HydrophobicContact CG1-CG1 3.92Å; I217-K398 HydrophobicContact CD1-CD 4.45Å; I217-K398 HydrophobicContact CD1-CG 3.68Å
218Q96.8Very high94.8Very high107 Ų10754 Ų5450%0.527%0.271SS..EExtended strand (participates in β ladder)trans-91.9129.9167-64.3-57.3-49.700108.8A207 T208A207-Q218 WeakPolarHBondContact O-CA 3.15Å; A207-Q218 PolarHBondContact O-OE1 3.17Å; T208-Q218 PolarHBondContact OG1-NE2 2.76Å
219V96.4Very high94.9Very high5 Ų552.5 Ų52.53%0.0327%0.266CS..EExtended strand (participates in β ladder)trans-137.7149.4175.6-63.70000110.4N206 A207 F209 I217 I221 P293 P399N206-V219 WeakPolarHBondContact CA-O 3.28Å; A207-V219 PolarHBondContact N-O 2.69Å; A207-V219 PolarHBondContact O-N 3.35Å; F209-V219 HydrophobicContact CB-CG2 3.69Å; F209-V219 HydrophobicContact CD2-CG2 4.48Å; F209-V219 HydrophobicContact CG-CG2 4.41Å; I217-V219 HydrophobicContact CD1-CG1 3.48Å; I217-V219 VanDerWaalsContact CD1-CG1 3.48Å; I217-V219 HydrophobicContact CG1-CG1 3.92Å; V219-I221 HydrophobicContact CG2-CD1 3.75Å; V219-I221 HydrophobicContact CG2-CG1 4.38Å; V219-I221 PolarHBondContact O-N 3.38Å; V219-P293 HydrophobicContact CG2-CB 4.31Å; V219-P399 HydrophobicContact CG1-CG 4.09Å; V219-P399 HydrophobicContact CG2-CG 4.22Å
220P97.2Very high95Very high12 Ų1253.7 Ų53.78%0.07827%0.271CS..EExtended strand (participates in β ladder)trans-64.4120.817125.3-33.6000108.8T204 P293 K294 Q401T204-P220 HydrophobicContact CG2-CB 3.64Å; P220-P293 WeakPolarHBondContact O-CA 3.49Å; P220-K294 HydrophobicContact CB-CB 4.34Å; P220-K294 HydrophobicContact CG-CB 4Å; P220-K294 HydrophobicContact CG-CD 4.45Å; P220-K294 HydrophobicContact CG-CG 4.41Å; P220-K294 PolarHBondContact O-N 2.97Å; P220-Q401 HydrophobicContact CG-CG 4.4Å
221I96.9Very high95Very high7 Ų752 Ų524%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-106.4119.5174.2-64.4-55.1000107.3T204 E205 A207 V219 K291 P293T204-I221 VanDerWaalsContact CA-O 3.31Å; T204-I221 WeakPolarHBondContact CA-O 3.13Å; E205-I221 PolarHBondContact N-O 3.43Å; E205-I221 PolarHBondContact O-N 2.9Å; A207-I221 HydrophobicContact CB-CB 4.35Å; A207-I221 HydrophobicContact CB-CG1 3.74Å; V219-I221 HydrophobicContact CG2-CD1 3.75Å; V219-I221 HydrophobicContact CG2-CG1 4.38Å; V219-I221 PolarHBondContact O-N 3.38Å; I221-K291 HydrophobicContact CG2-CB 3.5Å; I221-K291 HydrophobicContact CG2-CD 4.1Å; I221-K291 HydrophobicContact CG2-CG 3.79Å; I221-P293 HydrophobicContact CD1-CB 3.67Å; I221-P293 HydrophobicContact CD1-CG 4.41Å
222M96.7Very high95.2Very high0 Ų053.7 Ų53.70%027%0.274CS..EExtended strand (participates in β ladder)trans-79.4144.1172.6-49.8177.7-67.900108.8F199 T204 K291 L292 K294 I345 D346 E347F199-M222 HydrophobicContact CB-CB 4.06Å; F199-M222 HydrophobicContact CD1-CB 3.66Å; F199-M222 HydrophobicContact CD2-CB 4.23Å; F199-M222 HydrophobicContact CD2-CE 4.23Å; F199-M222 HydrophobicContact CD2-SD 4.14Å; F199-M222 HydrophobicContact CE1-CB 4.13Å; F199-M222 HydrophobicContact CE2-CE 4.11Å; F199-M222 HydrophobicContact CG-CB 3.72Å; F199-M222 HydrophobicContact CG-SD 4.43Å; T204-M222 HydrophobicContact CG2-CG 4.36Å; M222-K291 WeakPolarHBondContact O-CA 3.45Å; M222-L292 WeakPolarHBondContact CB-O 3.4Å; M222-L292 HydrophobicContact CE-CB 4.16Å; M222-L292 HydrophobicContact CE-CD2 3.72Å; M222-L292 HydrophobicContact CE-CG 3.74Å; M222-L292 PolarHBondContact N-O 3.27Å; M222-L292 PolarHBondContact O-N 3.18Å; M222-K294 HydrophobicContact CE-CB 4.35Å; M222-K294 HydrophobicContact CG-CB 4Å; M222-K294 HydrophobicContact SD-CB 3.97Å; M222-I345 HydrophobicContact CE-CG2 3.79Å; M222-D346 VanDerWaalsContact SD-CA 3.6Å; M222-D346 VanDerWaalsContact SD-O 3.41Å; M222-E347 HydrophobicContact CG-CG 3.94Å; M222-E347 VanDerWaalsContact SD-CA 3.53Å; M222-E347 HydrophobicContact SD-CB 4.27Å; M222-E347 HydrophobicContact SD-CG 3.8Å; M222-E347 PolarHBondContact SD-N 3.47Å
223F95.4Very high95.5Very high60 Ų6052.7 Ų52.726%0.26327%0.266SS..EExtended strand (participates in β ladder)trans-130.7135.1-174.8174.1-100.5000112.3F203 E225 S289 L290 K291F203-F223 HydrophobicContact CB-CB 4.23Å; F203-F223 HydrophobicContact CB-CD1 4.22Å; F223-E225 HydrophobicContact CZ-CG 3.94Å; F223-S289 WeakPolarHBondContact CE2-OG 3.3Å; F223-L290 WeakPolarHBondContact CA-O 3.32Å; F223-K291 HydrophobicContact CD2-CG 3.9Å
224N92Very high95.6Very high15 Ų1552 Ų528%0.0826%0.257CS..EExtended strand (participates in β ladder)trans-152.9155.4168.6-160.417.5000111.3V197 F199 L290 M359V197-N224 WeakPolarHBondContact CG1-ND2 3.27Å; F199-N224 HydrophobicContact CD1-CB 3.73Å; F199-N224 HydrophobicContact CE1-CB 3.9Å; N224-L290 PolarHBondContact N-O 3.17Å; N224-L290 VanDerWaalsContact N-O 3.16Å; N224-L290 PolarHBondContact O-N 2.75Å; N224-M359 WeakPolarHBondContact ND2-CE 3.45Å; N224-M359 VanDerWaalsContact OD1-CE 3.25Å; N224-M359 WeakPolarHBondContact OD1-CE 3.4Å
225E93.1Very high95.7Very high53 Ų5353.9 Ų53.925%0.24827%0.267CS..EExtended strand (participates in β ladder)trans-111.7120.7164.1-69.1-169.1-179.300109.2F223 R287 V288 M359F223-E225 HydrophobicContact CZ-CG 3.94Å; E225-R287 IonicContact OE2-CZ 3.6Å; E225-R287 IonicContact OE2-NE 3.65Å; E225-R287 IonicContact OE2-NH2 2.73Å; E225-R287 PolarHBondContact OE2-NH2 3.1Å; E225-V288 VanDerWaalsContact CA-O 3.31Å; E225-V288 WeakPolarHBondContact CA-O 3.38Å; E225-M359 VanDerWaalsContact O-CE 3.25Å; E225-M359 WeakPolarHBondContact O-CE 3.14Å
226E92Very high95.6Very high16 Ų1648.3 Ų48.38%0.07525%0.248CC..EExtended strand (participates in β ladder)trans-153.3164.3-173.647.3174.7163.400111.2V197 L228 K243 V288 M359V197-E226 WeakPolarHBondContact CB-OE2 3.41Å; E226-L228 HydrophobicContact CG-CD1 4.03Å; E226-L228 HydrophobicContact CG-CD2 3.97Å; E226-L228 HydrophobicContact CG-CG 3.81Å; E226-K243 IonicContact OE1-NZ 2.73Å; E226-K243 PolarHBondContact OE1-NZ 2.93Å; E226-K243 IonicContact OE2-NZ 2.66Å; E226-K243 PolarHBondContact OE2-NZ 2.81Å; E226-V288 PolarHBondContact N-O 2.74Å; E226-V288 PolarHBondContact O-N 3.5Å; E226-M359 HydrophobicContact CB-CE 4.2Å
227E94.5Very high95.7Very high106 Ų10643.9 Ų43.950%0.49524%0.236SC..EExtended strand (participates in β ladder)trans-79.2119.9169.3-71.5-71.3152.300108.9S285 E286 R287E227-S285 PolarHBondContact OE2-OG 3.01Å; E227-S285 VanDerWaalsContact OE2-OG 3.05Å; E227-E286 WeakPolarHBondContact CA-O 3.49Å; E227-E286 VanDerWaalsContact OE2-C 3.22Å; E227-E286 PolarHBondContact OE2-N 3.24Å; E227-R287 WeakPolarHBondContact OE1-CB 3.22Å; E227-R287 PolarHBondContact OE2-N 2.92Å
228L96.5Very high95.7Very high9 Ų941.9 Ų41.95%0.04723%0.226CC..EExtended strand (participates in β ladder)trans-128.8157.1179.6-64.6177.7000110.4E226 Y230 I241 K243 K284 S285 E286 V288 L290E226-L228 HydrophobicContact CG-CD1 4.03Å; E226-L228 HydrophobicContact CG-CD2 3.97Å; E226-L228 HydrophobicContact CG-CG 3.81Å; L228-Y230 PolarHBondContact O-N 2.92Å; L228-I241 HydrophobicContact CD1-CD1 4.28Å; L228-K243 HydrophobicContact CD2-CB 3.98Å; L228-K243 HydrophobicContact CD2-CG 3.99Å; L228-K284 VanDerWaalsContact O-O 3.12Å; L228-S285 WeakPolarHBondContact O-CA 3.46Å; L228-E286 PolarHBondContact N-O 2.99Å; L228-E286 PolarHBondContact O-N 2.9Å; L228-V288 HydrophobicContact CB-CB 4.41Å; L228-V288 HydrophobicContact CB-CG2 4.14Å; L228-V288 HydrophobicContact CD1-CB 4.07Å; L228-V288 HydrophobicContact CD1-CG1 4.21Å; L228-V288 HydrophobicContact CG-CB 4.45Å; L228-L290 HydrophobicContact CD1-CB 4.37Å; L228-L290 HydrophobicContact CD1-CD2 3.87Å
229G98Very high95.8Very high20 Ų2038 Ų3821%0.20621%0.207CC..EExtended strand (participates in β ladder)trans-65.8120162.700000108.7I241 S242 K284G229-I241 CarbonylContact O-C 3.55Å; G229-I241 WeakPolarHBondContact O-CA 3.24Å; G229-S242 PolarHBondContact N-O 3.13Å; G229-S242 PolarHBondContact O-N 2.85Å; G229-K284 CarbonylContact C-O 3.57Å; G229-K284 WeakPolarHBondContact CA-O 3.41Å
230Y98.6Very high95.9Very high25 Ų2537.8 Ų37.810%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-134.6145.7179.6172.2-95000111.3L228 D232 E239 M240 I241 K284 E286 V288 I370 F372L228-Y230 PolarHBondContact O-N 2.92Å; Y230-D232 HydrophobicContact CE1-CB 4.18Å; Y230-E239 HydrophobicContact CE2-CB 4.13Å; Y230-M240 WeakPolarHBondContact CA-O 3.23Å; Y230-I241 HydrophobicContact CD2-CG2 3.94Å; Y230-K284 PolarHBondContact N-O 3.28Å; Y230-K284 PolarHBondContact O-N 3.46Å; Y230-E286 HydrophobicContact CD1-CG 4.26Å; Y230-V288 HydrophobicContact CG-CG2 4.42Å; Y230-I370 HydrophobicContact CD1-CD1 3.37Å; Y230-I370 HydrophobicContact CD1-CG2 4.34Å; Y230-I370 HydrophobicContact CD2-CG2 4.18Å; Y230-I370 HydrophobicContact CE1-CD1 3.48Å; Y230-I370 VanDerWaalsContact CE1-CD1 3.48Å; Y230-I370 HydrophobicContact CE1-CG2 3.89Å; Y230-I370 HydrophobicContact CE2-CG2 3.7Å; Y230-I370 HydrophobicContact CG-CD1 4.07Å; Y230-I370 HydrophobicContact CG-CG2 4.46Å; Y230-F372 HydrophobicContact CD2-CD2 4.11Å; Y230-F372 AromaticContact CE2-CD2 3.86Å; Y230-F372 HydrophobicContact CE2-CD2 3.86Å; Y230-F372 HydrophobicContact CE2-CE2 4.37Å
231A98.3Very high96Very high13 Ų1337.2 Ų37.211%0.10720%0.203CC..EExtended strand (participates in β ladder)trans-149145.7161.500000111.4F233 M240 L283A231-F233 HydrophobicContact CB-CD2 4.26Å; A231-F233 HydrophobicContact CB-CE1 4.38Å; A231-F233 HydrophobicContact CB-CE2 3.56Å; A231-F233 HydrophobicContact CB-CZ 3.62Å; A231-M240 PolarHBondContact N-O 2.87Å; A231-M240 VanDerWaalsContact N-O 3.11Å; A231-M240 PolarHBondContact O-N 3.06Å; A231-L283 HydrophobicContact CB-CD2 3.72Å
232D97.8Very high96Very high68 Ų6837.6 Ų37.636%0.36421%0.206SC..EExtended strand (participates in β ladder)trans-97.8116170.5-169.2-38.2000109.3Y230 T234 K258Y230-D232 HydrophobicContact CE1-CB 4.18Å; D232-T234 VanDerWaalsContact CG-OG1 3.29Å; D232-T234 PolarHBondContact O-N 2.61Å; D232-T234 WeakPolarHBondContact OD1-CA 3.31Å; D232-T234 WeakPolarHBondContact OD1-CB 3.37Å; D232-T234 PolarHBondContact OD1-N 3.37Å; D232-T234 PolarHBondContact OD1-OG1 3.48Å; D232-K258 VanDerWaalsContact CG-NZ 3.29Å; D232-K258 WeakPolarHBondContact OD1-CE 3.38Å; D232-K258 IonicContact OD1-NZ 3.33Å; D232-K258 PolarHBondContact OD1-NZ 2.74Å; D232-K258 VanDerWaalsContact OD2-CE 3.29Å; D232-K258 WeakPolarHBondContact OD2-CE 3.02Å; D232-K258 IonicContact OD2-NZ 2.72Å; D232-K258 PolarHBondContact OD2-NZ 3.27Å
233F96.6Very high96.1Very high10 Ų1037.7 Ų37.74%0.04421%0.206CC..EExtended strand (participates in β ladder)trans-102.464.4176.2-61.9-77.9000109A231 L235 E236 G237 F238 M240 Y279 Q282A231-F233 HydrophobicContact CB-CD2 4.26Å; A231-F233 HydrophobicContact CB-CE1 4.38Å; A231-F233 HydrophobicContact CB-CE2 3.56Å; A231-F233 HydrophobicContact CB-CZ 3.62Å; F233-L235 VanDerWaalsContact C-N 3.26Å; F233-L235 PolarHBondContact O-N 3.25Å; F233-E236 HydrophobicContact CB-CB 4.14Å; F233-E236 WeakPolarHBondContact CB-OE2 3.29Å; F233-E236 CarbonylContact O-C 3.4Å; F233-E236 PolarHBondContact O-N 2.83Å; F233-E236 VanDerWaalsContact O-N 3.13Å; F233-G237 PolarHBondContact O-N 2.86Å; F233-F238 CarbonylContact C-O 3.52Å; F233-F238 VanDerWaalsContact C-O 3.31Å; F233-F238 WeakPolarHBondContact CA-O 3.28Å; F233-F238 HydrophobicContact CB-CD1 4.09Å; F233-F238 HydrophobicContact CB-CD2 4.2Å; F233-F238 HydrophobicContact CB-CE1 3.73Å; F233-F238 HydrophobicContact CB-CE2 3.88Å; F233-F238 HydrophobicContact CB-CG 4.3Å; F233-F238 HydrophobicContact CB-CZ 3.61Å; F233-F238 WeakPolarHBondContact CB-O 3.3Å; F233-F238 HydrophobicContact CD1-CZ 4.4Å; F233-F238 AromaticContact CD2-CD2 3.91Å; F233-F238 HydrophobicContact CD2-CD2 3.91Å; F233-F238 HydrophobicContact CD2-CE1 4.45Å; F233-F238 AromaticContact CD2-CE2 3.17Å; F233-F238 HydrophobicContact CD2-CE2 3.17Å; F233-F238 AromaticContact CD2-CZ 3.5Å; F233-F238 HydrophobicContact CD2-CZ 3.5Å; F233-F238 VanDerWaalsContact CD2-CZ 3.5Å; F233-F238 AromaticContact CE2-CE2 3.88Å; F233-F238 HydrophobicContact CE2-CE2 3.88Å; F233-F238 HydrophobicContact CE2-CZ 4.23Å; F233-F238 HydrophobicContact CG-CD2 4.45Å; F233-F238 HydrophobicContact CG-CE1 4.2Å; F233-F238 AromaticContact CG-CE2 3.74Å; F233-F238 HydrophobicContact CG-CE2 3.74Å; F233-F238 AromaticContact CG-CZ 3.58Å; F233-F238 HydrophobicContact CG-CZ 3.58Å; F233-F238 PolarHBondContact N-O 2.84Å; F233-F238 PolarHBondContact O-N 3.05Å; F233-M240 HydrophobicContact CD2-CB 4.3Å; F233-M240 HydrophobicContact CE2-CB 3.91Å; F233-M240 HydrophobicContact CE2-CE 4.36Å; F233-Y279 AromaticContact CD1-CD1 3.76Å; F233-Y279 HydrophobicContact CD1-CD1 3.76Å; F233-Y279 AromaticContact CD1-CE1 3.96Å; F233-Y279 HydrophobicContact CD1-CE1 3.96Å; F233-Y279 HydrophobicContact CD2-CD1 4.25Å; F233-Y279 AromaticContact CE1-CD1 3.48Å; F233-Y279 HydrophobicContact CE1-CD1 3.48Å; F233-Y279 VanDerWaalsContact CE1-CD1 3.48Å; F233-Y279 HydrophobicContact CE1-CE1 4.09Å; F233-Y279 HydrophobicContact CE1-CG 4.45Å; F233-Y279 AromaticContact CE2-CD1 3.96Å; F233-Y279 HydrophobicContact CE2-CD1 3.96Å; F233-Y279 HydrophobicContact CG-CD1 4.13Å; F233-Y279 HydrophobicContact CG-CE1 4.37Å; F233-Y279 AromaticContact CZ-CD1 3.58Å; F233-Y279 HydrophobicContact CZ-CD1 3.58Å; F233-Y279 HydrophobicContact CZ-CG 4.29Å; F233-Q282 HydrophobicContact CE1-CB 4.34Å; F233-Q282 HydrophobicContact CZ-CB 4.19Å
234T93.8Very high96.1Very high96 Ų9636 Ų3659%0.58920%0.202SC*.THydrogen-bonded Turntrans-57.6-37.6-172.9-61.90000112.5D232 E236 G237D232-T234 VanDerWaalsContact CG-OG1 3.29Å; D232-T234 PolarHBondContact O-N 2.61Å; D232-T234 WeakPolarHBondContact OD1-CA 3.31Å; D232-T234 WeakPolarHBondContact OD1-CB 3.37Å; D232-T234 PolarHBondContact OD1-N 3.37Å; D232-T234 PolarHBondContact OD1-OG1 3.48Å; T234-E236 VanDerWaalsContact C-N 3.31Å; T234-G237 PolarHBondContact O-N 2.91Å
235L92.9Very high96.2Very high167 Ų16735.3 Ų35.387%0.87420%0.198SC*.THydrogen-bonded Turntrans-69.2-33.6-178.9-65.5177.3000111.7F233F233-L235 VanDerWaalsContact C-N 3.26Å; F233-L235 PolarHBondContact O-N 3.25Å
236E94Very high96Very high59 Ų5937.6 Ų37.628%0.27621%0.207SC..THydrogen-bonded Turntrans-87-10.7177.7-61.382176.300113F233 T234 F238 Y265F233-E236 HydrophobicContact CB-CB 4.14Å; F233-E236 WeakPolarHBondContact CB-OE2 3.29Å; F233-E236 CarbonylContact O-C 3.4Å; F233-E236 PolarHBondContact O-N 2.83Å; F233-E236 VanDerWaalsContact O-N 3.13Å; T234-E236 VanDerWaalsContact C-N 3.31Å; E236-F238 HydrophobicContact CB-CD1 3.58Å; E236-F238 HydrophobicContact CB-CE1 3.36Å; E236-F238 HydrophobicContact CB-CZ 4.48Å; E236-F238 HydrophobicContact CG-CE1 4.07Å; E236-Y265 HydrophobicContact CB-CD1 4.02Å; E236-Y265 HydrophobicContact CB-CE1 3.57Å; E236-Y265 HydrophobicContact CB-CE2 4.17Å; E236-Y265 HydrophobicContact CG-CE1 3.85Å; E236-Y265 HydrophobicContact CG-CE2 4.22Å; E236-Y265 VanDerWaalsContact CG-OH 3.24Å; E236-Y265 WeakPolarHBondContact CG-OH 3.27Å
237G95.7Very high95.9Very high32 Ų3238 Ų3833%0.3321%0.21SC..THydrogen-bonded Turntrans81.324.9173.600000115F233 T234 K258F233-G237 PolarHBondContact O-N 2.86Å; T234-G237 PolarHBondContact O-N 2.91Å; G237-K258 PolarHBondContact O-N 3.38Å
238F97.4Very high95.7Very high0 Ų036.5 Ų36.50%021%0.208CC..EExtended strand (participates in β ladder)trans-144.2170.3179.174.5-90.3000112.4F233 E236 M240 I255 L256 Y265 I266 F269 Y279F233-F238 CarbonylContact C-O 3.52Å; F233-F238 VanDerWaalsContact C-O 3.31Å; F233-F238 WeakPolarHBondContact CA-O 3.28Å; F233-F238 HydrophobicContact CB-CD1 4.09Å; F233-F238 HydrophobicContact CB-CD2 4.2Å; F233-F238 HydrophobicContact CB-CE1 3.73Å; F233-F238 HydrophobicContact CB-CE2 3.88Å; F233-F238 HydrophobicContact CB-CG 4.3Å; F233-F238 HydrophobicContact CB-CZ 3.61Å; F233-F238 WeakPolarHBondContact CB-O 3.3Å; F233-F238 HydrophobicContact CD1-CZ 4.4Å; F233-F238 AromaticContact CD2-CD2 3.91Å; F233-F238 HydrophobicContact CD2-CD2 3.91Å; F233-F238 HydrophobicContact CD2-CE1 4.45Å; F233-F238 AromaticContact CD2-CE2 3.17Å; F233-F238 HydrophobicContact CD2-CE2 3.17Å; F233-F238 AromaticContact CD2-CZ 3.5Å; F233-F238 HydrophobicContact CD2-CZ 3.5Å; F233-F238 VanDerWaalsContact CD2-CZ 3.5Å; F233-F238 AromaticContact CE2-CE2 3.88Å; F233-F238 HydrophobicContact CE2-CE2 3.88Å; F233-F238 HydrophobicContact CE2-CZ 4.23Å; F233-F238 HydrophobicContact CG-CD2 4.45Å; F233-F238 HydrophobicContact CG-CE1 4.2Å; F233-F238 AromaticContact CG-CE2 3.74Å; F233-F238 HydrophobicContact CG-CE2 3.74Å; F233-F238 AromaticContact CG-CZ 3.58Å; F233-F238 HydrophobicContact CG-CZ 3.58Å; F233-F238 PolarHBondContact N-O 2.84Å; F233-F238 PolarHBondContact O-N 3.05Å; E236-F238 HydrophobicContact CB-CD1 3.58Å; E236-F238 HydrophobicContact CB-CE1 3.36Å; E236-F238 HydrophobicContact CB-CZ 4.48Å; E236-F238 HydrophobicContact CG-CE1 4.07Å; F238-M240 HydrophobicContact CE2-CB 4.31Å; F238-M240 HydrophobicContact CE2-CE 3.91Å; F238-I255 HydrophobicContact CB-CG2 4.32Å; F238-I255 HydrophobicContact CD2-CG2 3.36Å; F238-I255 HydrophobicContact CE2-CG2 3.78Å; F238-I255 HydrophobicContact CG-CG2 3.92Å; F238-L256 CarbonylContact C-O 3.56Å; F238-L256 WeakPolarHBondContact CA-O 3.37Å; F238-L256 WeakPolarHBondContact CB-O 3.31Å; F238-Y265 AromaticContact CD1-CD1 3.77Å; F238-Y265 HydrophobicContact CD1-CD1 3.77Å; F238-Y265 HydrophobicContact CD1-CE1 4Å; F238-Y265 AromaticContact CE1-CD1 3.79Å; F238-Y265 HydrophobicContact CE1-CD1 3.79Å; F238-Y265 AromaticContact CE1-CE1 3.53Å; F238-Y265 HydrophobicContact CE1-CE1 3.53Å; F238-I266 HydrophobicContact CB-CG2 3.6Å; F238-I266 HydrophobicContact CD1-CG2 4.05Å; F238-I266 HydrophobicContact CG-CG2 3.81Å; F238-F269 AromaticContact CE1-CE2 3.93Å; F238-F269 HydrophobicContact CE1-CE2 3.93Å; F238-F269 HydrophobicContact CE1-CZ 4.14Å; F238-F269 HydrophobicContact CE2-CE2 4.17Å; F238-F269 HydrophobicContact CE2-CZ 4.2Å; F238-F269 AromaticContact CZ-CE2 3.69Å; F238-F269 HydrophobicContact CZ-CE2 3.69Å; F238-F269 AromaticContact CZ-CZ 3.59Å; F238-F269 HydrophobicContact CZ-CZ 3.59Å; F238-Y279 HydrophobicContact CE1-CE1 4.12Å; F238-Y279 HydrophobicContact CE2-CD1 4.43Å; F238-Y279 AromaticContact CZ-CD1 3.65Å; F238-Y279 HydrophobicContact CZ-CD1 3.65Å; F238-Y279 AromaticContact CZ-CE1 3.61Å; F238-Y279 HydrophobicContact CZ-CE1 3.61Å
239E98.1Very high95.5Very high25 Ų2536.6 Ų36.612%0.11721%0.208CC..EExtended strand (participates in β ladder)trans-131.8153170.849.2-170.498.900110Y230 L256 K258 F372Y230-E239 HydrophobicContact CE2-CB 4.13Å; E239-L256 HydrophobicContact CG-CB 4.19Å; E239-L256 HydrophobicContact CG-CD2 4.47Å; E239-L256 PolarHBondContact N-O 2.88Å; E239-L256 PolarHBondContact O-N 2.96Å; E239-K258 IonicContact OE1-NZ 2.95Å; E239-K258 PolarHBondContact OE1-NZ 3.13Å; E239-F372 HydrophobicContact CB-CD2 4.44Å; E239-F372 HydrophobicContact CB-CE2 3.92Å; E239-F372 HydrophobicContact CG-CD2 3.97Å; E239-F372 HydrophobicContact CG-CE2 3.53Å; E239-F372 HydrophobicContact CG-CZ 4.42Å; E239-F372 WeakPolarHBondContact OE2-CD2 3.1Å
240M98.6Very high95.3Very high0 Ų035.7 Ų35.70%020%0.198CC..EExtended strand (participates in β ladder)trans-130.7140.3-173.7-172.6-176.3-6300110.9Y230 A231 F233 F238 I253 V254 I255 F269 L276 Y279 I280 L283Y230-M240 WeakPolarHBondContact CA-O 3.23Å; A231-M240 PolarHBondContact N-O 2.87Å; A231-M240 VanDerWaalsContact N-O 3.11Å; A231-M240 PolarHBondContact O-N 3.06Å; F233-M240 HydrophobicContact CD2-CB 4.3Å; F233-M240 HydrophobicContact CE2-CB 3.91Å; F233-M240 HydrophobicContact CE2-CE 4.36Å; F238-M240 HydrophobicContact CE2-CB 4.31Å; F238-M240 HydrophobicContact CE2-CE 3.91Å; M240-I253 HydrophobicContact CG-CG2 3.93Å; M240-I253 HydrophobicContact SD-CG2 3.84Å; M240-V254 VanDerWaalsContact CA-O 3.24Å; M240-V254 WeakPolarHBondContact CA-O 3.29Å; M240-V254 WeakPolarHBondContact CG-O 3.25Å; M240-I255 HydrophobicContact CE-CD1 3.86Å; M240-I255 HydrophobicContact CE-CG1 3.98Å; M240-I255 HydrophobicContact CG-CG1 4.48Å; M240-F269 HydrophobicContact CE-CE1 4.43Å; M240-F269 HydrophobicContact CE-CZ 4.25Å; M240-L276 HydrophobicContact CE-CD1 4.18Å; M240-Y279 HydrophobicContact CE-CG 4.3Å; M240-I280 HydrophobicContact SD-CG1 4.3Å; M240-L283 HydrophobicContact CB-CD2 4.03Å; M240-L283 HydrophobicContact CG-CD2 4.05Å; M240-L283 HydrophobicContact SD-CD1 4.29Å; M240-L283 HydrophobicContact SD-CD2 4.05Å; M240-L283 HydrophobicContact SD-CG 4.49Å
241I98.6Very high95.2Very high1 Ų134.5 Ų34.51%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-120.5157.3163.760.4151.7000112L228 G229 Y230 I253 V254 L290 F372L228-I241 HydrophobicContact CD1-CD1 4.28Å; G229-I241 CarbonylContact O-C 3.55Å; G229-I241 WeakPolarHBondContact O-CA 3.24Å; Y230-I241 HydrophobicContact CD2-CG2 3.94Å; I241-I253 WeakPolarHBondContact O-CA 3.29Å; I241-V254 HydrophobicContact CD1-CB 4.3Å; I241-V254 HydrophobicContact CD1-CG2 4.2Å; I241-V254 HydrophobicContact CG1-CB 3.74Å; I241-V254 HydrophobicContact CG1-CG2 4.15Å; I241-V254 PolarHBondContact N-O 2.92Å; I241-V254 PolarHBondContact O-N 2.92Å; I241-L290 HydrophobicContact CD1-CD1 3.77Å; I241-L290 HydrophobicContact CD1-CD2 4.02Å; I241-F372 HydrophobicContact CB-CE1 4.46Å; I241-F372 HydrophobicContact CB-CE2 4.49Å; I241-F372 HydrophobicContact CB-CZ 4.36Å; I241-F372 HydrophobicContact CD1-CD1 4.2Å; I241-F372 HydrophobicContact CD1-CE1 4.13Å; I241-F372 HydrophobicContact CG1-CD1 4.08Å; I241-F372 HydrophobicContact CG1-CE1 3.67Å; I241-F372 HydrophobicContact CG1-CE2 4.47Å; I241-F372 HydrophobicContact CG1-CZ 3.87Å; I241-F372 HydrophobicContact CG2-CB 4.27Å; I241-F372 HydrophobicContact CG2-CD1 3.91Å; I241-F372 HydrophobicContact CG2-CD2 3.55Å; I241-F372 HydrophobicContact CG2-CE1 4.08Å; I241-F372 HydrophobicContact CG2-CE2 3.68Å; I241-F372 HydrophobicContact CG2-CG 3.64Å; I241-F372 HydrophobicContact CG2-CZ 3.95Å
242S98.3Very high95.2Very high15 Ų1533.9 Ų33.911%0.10519%0.189CC..EExtended strand (participates in β ladder)trans-125.1116.1164.4169.20000109G229 A251 L283G229-S242 PolarHBondContact N-O 3.13Å; G229-S242 PolarHBondContact O-N 2.85Å; S242-A251 WeakPolarHBondContact OG-CB 3.36Å; S242-L283 VanDerWaalsContact CB-CD1 3.44Å
243K97.3Very high95.2Very high2 Ų230.7 Ų30.71%0.00917%0.171CC..EExtended strand (participates in β ladder)trans-107123.5172-177.7176.1174.767.60110W195 V197 F199 E226 L228 A251 F252 L290W195-K243 HydrophobicContact CD2-CD 4.01Å; W195-K243 HydrophobicContact CE3-CD 3.71Å; W195-K243 HydrophobicContact CE3-CG 3.84Å; W195-K243 VanDerWaalsContact CG-CE 3.5Å; W195-K243 HydrophobicContact CZ3-CB 4.43Å; W195-K243 HydrophobicContact CZ3-CD 4Å; W195-K243 HydrophobicContact CZ3-CG 4.08Å; V197-K243 PolarHBondContact O-NZ 2.62Å; F199-K243 HydrophobicContact CE2-CD 4.22Å; F199-K243 HydrophobicContact CZ-CD 4.17Å; E226-K243 IonicContact OE1-NZ 2.73Å; E226-K243 PolarHBondContact OE1-NZ 2.93Å; E226-K243 IonicContact OE2-NZ 2.66Å; E226-K243 PolarHBondContact OE2-NZ 2.81Å; L228-K243 HydrophobicContact CD2-CB 3.98Å; L228-K243 HydrophobicContact CD2-CG 3.99Å; K243-A251 CarbonylContact O-C 3.39Å; K243-A251 WeakPolarHBondContact O-CA 3.34Å; K243-F252 PolarHBondContact N-O 3.12Å; K243-F252 PolarHBondContact O-N 3.23Å; K243-L290 HydrophobicContact CD-CD2 4.13Å
244S95.5Very high95.3Very high25 Ų2530.2 Ų30.218%0.17517%0.169CC..EExtended strand (participates in β ladder)trans-75.5144.9-179.3-65.40000112.1E196 K385E196-S244 PolarHBondContact N-O 2.78Å; E196-S244 VanDerWaalsContact N-O 3.08Å; E196-S244 WeakPolarHBondContact OE2-CB 3.32Å; S244-K385 PolarHBondContact OG-NZ 3.02Å
245F93.8Very high95.5Very high0 Ų025.6 Ų25.60%014%0.141CC..BIsolated β-bridgetrans-82.3168.5160.7-63.6-80.9000110.2F191 D193 V194 W195 N247 T248 F250 F252 M350 V382F191-F245 HydrophobicContact CE1-CD1 4.19Å; F191-F245 HydrophobicContact CE1-CD2 4.1Å; F191-F245 AromaticContact CE1-CE1 3.94Å; F191-F245 HydrophobicContact CE1-CE1 3.94Å; F191-F245 AromaticContact CE1-CE2 3.84Å; F191-F245 HydrophobicContact CE1-CE2 3.84Å; F191-F245 HydrophobicContact CE1-CG 4.26Å; F191-F245 AromaticContact CE1-CZ 3.76Å; F191-F245 HydrophobicContact CE1-CZ 3.76Å; F191-F245 AromaticContact CZ-CD2 3.83Å; F191-F245 HydrophobicContact CZ-CD2 3.83Å; F191-F245 AromaticContact CZ-CE2 3.92Å; F191-F245 HydrophobicContact CZ-CE2 3.92Å; F191-F245 HydrophobicContact CZ-CG 4.14Å; F191-F245 HydrophobicContact CZ-CZ 4.31Å; D193-F245 HydrophobicContact CB-CB 3.95Å; D193-F245 HydrophobicContact CB-CD1 3.94Å; D193-F245 HydrophobicContact CB-CG 4.1Å; D193-F245 VanDerWaalsContact OD2-CB 3.28Å; D193-F245 WeakPolarHBondContact OD2-CB 3.18Å; V194-F245 CarbonylContact O-C 3.59Å; V194-F245 VanDerWaalsContact O-CA 3.25Å; V194-F245 WeakPolarHBondContact O-CA 3.16Å; V194-F245 WeakPolarHBondContact O-CB 3.19Å; W195-F245 HydrophobicContact CD2-CD1 4.48Å; W195-F245 HydrophobicContact CD2-CE1 4.38Å; W195-F245 AromaticContact CE3-CD1 3.75Å; W195-F245 HydrophobicContact CE3-CD1 3.75Å; W195-F245 AromaticContact CE3-CE1 3.71Å; W195-F245 HydrophobicContact CE3-CE1 3.71Å; W195-F245 HydrophobicContact CE3-CG 4.44Å; W195-F245 HydrophobicContact CE3-CZ 4.36Å; W195-F245 AromaticContact CH2-CE1 3.66Å; W195-F245 HydrophobicContact CH2-CE1 3.66Å; W195-F245 AromaticContact CH2-CZ 3.81Å; W195-F245 HydrophobicContact CH2-CZ 3.81Å; W195-F245 HydrophobicContact CZ2-CE1 4.34Å; W195-F245 AromaticContact CZ3-CD1 3.78Å; W195-F245 HydrophobicContact CZ3-CD1 3.78Å; W195-F245 AromaticContact CZ3-CE1 3.31Å; W195-F245 HydrophobicContact CZ3-CE1 3.31Å; W195-F245 HydrophobicContact CZ3-CE2 4.2Å; W195-F245 HydrophobicContact CZ3-CG 4.41Å; W195-F245 AromaticContact CZ3-CZ 3.55Å; W195-F245 HydrophobicContact CZ3-CZ 3.55Å; F245-N247 CarbonylContact O-C 3.57Å; F245-N247 PolarHBondContact O-N 3.28Å; F245-T248 PolarHBondContact O-N 2.88Å; F245-F250 HydrophobicContact CD2-CB 3.83Å; F245-F250 PolarHBondContact N-O 3.4Å; F245-F252 HydrophobicContact CE2-CB 3.9Å; F245-F252 HydrophobicContact CZ-CB 3.89Å; F245-M350 HydrophobicContact CE1-CB 4.23Å; F245-V382 HydrophobicContact CE2-CG1 4.19Å
246K90.5Very high95.7Very high100 Ų10017.9 Ų17.944%0.43510%0.101SC..SBendtrans-59.3-38.2177.6175.2176.9179.9176.40111.1Y101 V194 T248Y101-K246 PolarHBondContact O-NZ 2.48Å; V194-K246 HydrophobicContact CG2-CB 3.46Å; V194-K246 VanDerWaalsContact CG2-CB 3.46Å; V194-K246 HydrophobicContact CG2-CD 3.36Å; V194-K246 HydrophobicContact CG2-CG 4.06Å; V194-K246 PolarHBondContact O-N 2.83Å; K246-T248 PolarHBondContact O-N 3.46Å
247N89.5Confident95.9Very high25 Ų2515.2 Ų15.213%0.1349%0.088CC..SBendtrans-77.899.1157.6-168-31000108.9E98 D193 F245 R249 F250E98-N247 PolarHBondContact OE2-ND2 3.21Å; D193-N247 WeakPolarHBondContact OD2-CA 3.48Å; D193-N247 WeakPolarHBondContact OD2-CB 3.25Å; D193-N247 PolarHBondContact OD2-N 3Å; F245-N247 CarbonylContact O-C 3.57Å; F245-N247 PolarHBondContact O-N 3.28Å; N247-R249 PolarHBondContact O-N 2.73Å; N247-R249 VanDerWaalsContact O-N 3.11Å; N247-R249 WeakPolarHBondContact OD1-CB 3.4Å; N247-R249 PolarHBondContact OD1-N 3.16Å; N247-F250 HydrophobicContact CB-CD2 4.09Å; N247-F250 PolarHBondContact O-N 3.47Å
248T90.6Very high95.9Very high74 Ų7417.5 Ų17.545%0.4549%0.089SC..THydrogen-bonded Turntrans-69.9-8.5-171.2560000114.1F245 K246 F250 K385F245-T248 PolarHBondContact O-N 2.88Å; K246-T248 PolarHBondContact O-N 3.46Å; T248-F250 PolarHBondContact O-N 3.12Å; T248-K385 PolarHBondContact O-NZ 2.81Å
249R92.1Very high95.7Very high12 Ų1223.4 Ų23.45%0.04512%0.117CC..THydrogen-bonded Turntrans-55.2-37.6164.9175.3173.7173.2175.9-1.7111.2S94 E98 N247 D384 K385 E386S94-R249 PolarHBondContact O-NH1 3.34Å; S94-R249 PolarHBondContact O-NH2 3.4Å; S94-R249 PolarHBondContact OG-NH2 2.95Å; E98-R249 IonicContact OE1-CZ 2.85Å; E98-R249 IonicContact OE1-NH1 3.99Å; E98-R249 PolarHBondContact OE1-NH1 3.27Å; N247-R249 PolarHBondContact O-N 2.73Å; N247-R249 VanDerWaalsContact O-N 3.11Å; N247-R249 WeakPolarHBondContact OD1-CB 3.4Å; N247-R249 PolarHBondContact OD1-N 3.16Å; R249-D384 IonicContact CZ-OD1 3.05Å; R249-D384 IonicContact CZ-OD2 3.91Å; R249-D384 VanDerWaalsContact CZ-OD2 3.31Å; R249-D384 IonicContact NE-OD1 2.75Å; R249-D384 PolarHBondContact NE-OD1 3.08Å; R249-D384 VanDerWaalsContact NE-OD1 3.15Å; R249-D384 IonicContact NE-OD2 3.37Å; R249-D384 PolarHBondContact NE-OD2 3.35Å; R249-D384 IonicContact NH2-OD1 3.84Å; R249-D384 IonicContact NH2-OD2 2.7Å; R249-D384 PolarHBondContact NH2-OD2 3.42Å; R249-K385 VanDerWaalsContact O-CB 3.31Å; R249-K385 WeakPolarHBondContact O-CB 3Å; R249-K385 WeakPolarHBondContact O-CG 3.41Å; R249-K385 PolarHBondContact O-N 3.07Å; R249-E386 HydrophobicContact CG-CB 4.33Å; R249-E386 HydrophobicContact CG-CG 3.95Å; R249-E386 IonicContact CZ-OE2 3.91Å; R249-E386 IonicContact NE-OE2 2.61Å; R249-E386 IonicContact NH1-OE2 2.87Å
250F94.1Very high95.3Very high0 Ų025.2 Ų25.20%012%0.124CC..EExtended strand (participates in β ladder)trans-99144.6-178.2-52.9-66.9000111.3E98 V109 I110 F191 F245 N247 T248 Y383 D384 L391E98-F250 HydrophobicContact CB-CE2 4Å; E98-F250 HydrophobicContact CB-CZ 4.29Å; E98-F250 HydrophobicContact CG-CE2 3.93Å; E98-F250 HydrophobicContact CG-CZ 3.9Å; V109-F250 HydrophobicContact CB-CE2 4.39Å; V109-F250 HydrophobicContact CG1-CD2 3.89Å; V109-F250 HydrophobicContact CG1-CE2 3.67Å; V109-F250 HydrophobicContact CG1-CZ 4.48Å; I110-F250 HydrophobicContact CD1-CE1 4.33Å; I110-F250 HydrophobicContact CD1-CZ 4.04Å; F191-F250 HydrophobicContact CE2-CB 3.86Å; F191-F250 AromaticContact CE2-CD1 3.98Å; F191-F250 HydrophobicContact CE2-CD1 3.98Å; F191-F250 AromaticContact CE2-CD2 3.72Å; F191-F250 HydrophobicContact CE2-CD2 3.72Å; F191-F250 HydrophobicContact CE2-CE1 4.49Å; F191-F250 HydrophobicContact CE2-CE2 4.24Å; F191-F250 AromaticContact CE2-CG 3.56Å; F191-F250 HydrophobicContact CE2-CG 3.56Å; F191-F250 HydrophobicContact CZ-CB 3.78Å; F191-F250 HydrophobicContact CZ-CD2 4.13Å; F191-F250 AromaticContact CZ-CG 3.97Å; F191-F250 HydrophobicContact CZ-CG 3.97Å; F245-F250 HydrophobicContact CD2-CB 3.83Å; F245-F250 PolarHBondContact N-O 3.4Å; N247-F250 HydrophobicContact CB-CD2 4.09Å; N247-F250 PolarHBondContact O-N 3.47Å; T248-F250 PolarHBondContact O-N 3.12Å; F250-Y383 CarbonylContact C-O 3.43Å; F250-Y383 VanDerWaalsContact CA-O 3.3Å; F250-Y383 WeakPolarHBondContact CA-O 3.27Å; F250-D384 HydrophobicContact CD1-CB 4.07Å; F250-D384 HydrophobicContact CE1-CB 3.96Å; F250-L391 HydrophobicContact CD1-CD1 3.74Å; F250-L391 HydrophobicContact CE1-CD1 3.61Å
251A96.1Very high94.7Very high0 Ų031 Ų310%015%0.146CC..EExtended strand (participates in β ladder)trans-136.5148.8169.900000111.9S242 K243 I253 Y383S242-A251 WeakPolarHBondContact OG-CB 3.36Å; K243-A251 CarbonylContact O-C 3.39Å; K243-A251 WeakPolarHBondContact O-CA 3.34Å; A251-I253 HydrophobicContact CB-CD1 3.93Å; A251-Y383 PolarHBondContact N-O 3.46Å; A251-Y383 PolarHBondContact O-N 3.49Å
252F97.6Very high94.2Very high1 Ų133.8 Ų33.80%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-89.6114.8166-172.2-113.3000109.1W195 K243 F245 V254 L292 F295 I343 I345 C380 F381 V382W195-F252 HydrophobicContact CH2-CB 3.55Å; W195-F252 AromaticContact CH2-CD1 3.82Å; W195-F252 HydrophobicContact CH2-CD1 3.82Å; W195-F252 HydrophobicContact CH2-CD2 4.33Å; W195-F252 AromaticContact CH2-CG 3.66Å; W195-F252 HydrophobicContact CH2-CG 3.66Å; W195-F252 HydrophobicContact CZ3-CB 3.45Å; W195-F252 VanDerWaalsContact CZ3-CB 3.45Å; W195-F252 HydrophobicContact CZ3-CD1 4.42Å; W195-F252 HydrophobicContact CZ3-CG 4.11Å; K243-F252 PolarHBondContact N-O 3.12Å; K243-F252 PolarHBondContact O-N 3.23Å; F245-F252 HydrophobicContact CE2-CB 3.9Å; F245-F252 HydrophobicContact CZ-CB 3.89Å; F252-V254 HydrophobicContact CD1-CG2 3.64Å; F252-V254 HydrophobicContact CE1-CG2 3.23Å; F252-V254 HydrophobicContact CZ-CG2 4.03Å; F252-L292 HydrophobicContact CE1-CD1 3.98Å; F252-L292 HydrophobicContact CE1-CD2 4.27Å; F252-F295 HydrophobicContact CZ-CZ 4.36Å; F252-I343 HydrophobicContact CE2-CD1 4.44Å; F252-I345 HydrophobicContact CD2-CD1 4.12Å; F252-I345 HydrophobicContact CE2-CD1 3.8Å; F252-I345 HydrophobicContact CE2-CG1 4.23Å; F252-I345 HydrophobicContact CZ-CD1 4.13Å; F252-I345 HydrophobicContact CZ-CG1 4.23Å; F252-C380 HydrophobicContact CE1-CB 4.25Å; F252-C380 HydrophobicContact CE2-CB 3.69Å; F252-C380 HydrophobicContact CZ-CB 3.49Å; F252-C380 VanDerWaalsContact CZ-CB 3.49Å; F252-F381 WeakPolarHBondContact CA-O 3.44Å; F252-V382 HydrophobicContact CD2-CG2 4.41Å
253I98Very high93.8Very high0 Ų034.3 Ų34.30%016%0.163CC..EExtended strand (participates in β ladder)trans-100.3129.9179.3-48.5-59000107.9M240 I241 A251 L276 I280 C380 F381 Y383M240-I253 HydrophobicContact CG-CG2 3.93Å; M240-I253 HydrophobicContact SD-CG2 3.84Å; I241-I253 WeakPolarHBondContact O-CA 3.29Å; A251-I253 HydrophobicContact CB-CD1 3.93Å; I253-L276 HydrophobicContact CG2-CD1 4.32Å; I253-I280 HydrophobicContact CD1-CD1 3.96Å; I253-I280 HydrophobicContact CD1-CG1 4.21Å; I253-I280 HydrophobicContact CG1-CD1 3.91Å; I253-I280 HydrophobicContact CG1-CG1 4.46Å; I253-I280 HydrophobicContact CG2-CG1 4.49Å; I253-C380 CarbonylContact O-C 3.32Å; I253-C380 WeakPolarHBondContact O-CA 3.27Å; I253-C380 VanDerWaalsContact O-CB 3.24Å; I253-C380 WeakPolarHBondContact O-CB 3.34Å; I253-F381 HydrophobicContact CB-CB 4.32Å; I253-F381 PolarHBondContact N-O 3.47Å; I253-F381 PolarHBondContact O-N 3.48Å; I253-Y383 HydrophobicContact CG1-CG 4.41Å
254V98.3Very high93.3Very high0 Ų040 Ų400%019%0.193CC..EExtended strand (participates in β ladder)trans-119.3130.5173.3-178.20000109.1M240 I241 F252 F372 I374 F378 C380M240-V254 VanDerWaalsContact CA-O 3.24Å; M240-V254 WeakPolarHBondContact CA-O 3.29Å; M240-V254 WeakPolarHBondContact CG-O 3.25Å; I241-V254 HydrophobicContact CD1-CB 4.3Å; I241-V254 HydrophobicContact CD1-CG2 4.2Å; I241-V254 HydrophobicContact CG1-CB 3.74Å; I241-V254 HydrophobicContact CG1-CG2 4.15Å; I241-V254 PolarHBondContact N-O 2.92Å; I241-V254 PolarHBondContact O-N 2.92Å; F252-V254 HydrophobicContact CD1-CG2 3.64Å; F252-V254 HydrophobicContact CE1-CG2 3.23Å; F252-V254 HydrophobicContact CZ-CG2 4.03Å; V254-F372 HydrophobicContact CB-CE1 4.2Å; V254-F372 HydrophobicContact CB-CZ 4.37Å; V254-F372 HydrophobicContact CG1-CE1 3.93Å; V254-F372 HydrophobicContact CG1-CZ 4.15Å; V254-I374 HydrophobicContact CB-CD1 4.41Å; V254-I374 HydrophobicContact CG1-CD1 3.79Å; V254-I374 HydrophobicContact CG1-CG1 4.24Å; V254-I374 HydrophobicContact CG2-CD1 4.19Å; V254-F378 HydrophobicContact CG1-CB 4.42Å; V254-F378 HydrophobicContact CG1-CD2 3.77Å; V254-F378 HydrophobicContact CG1-CE2 4.41Å; V254-F378 HydrophobicContact CG1-CG 4.35Å; V254-C380 HydrophobicContact CG2-CB 4.25Å
255I98.1Very high92.9Very high0 Ų042.5 Ų42.50%020%0.199CC..EExtended strand (participates in β ladder)trans-112.4109.3173.1-44.9-170.8000107.4F238 M240 I266 F269 L276 I379 F381F238-I255 HydrophobicContact CB-CG2 4.32Å; F238-I255 HydrophobicContact CD2-CG2 3.36Å; F238-I255 HydrophobicContact CE2-CG2 3.78Å; F238-I255 HydrophobicContact CG-CG2 3.92Å; M240-I255 HydrophobicContact CE-CD1 3.86Å; M240-I255 HydrophobicContact CE-CG1 3.98Å; M240-I255 HydrophobicContact CG-CG1 4.48Å; I255-I266 HydrophobicContact CG2-CB 3.92Å; I255-I266 HydrophobicContact CG2-CG2 3.54Å; I255-F269 HydrophobicContact CD1-CB 4.12Å; I255-F269 HydrophobicContact CD1-CD1 4.03Å; I255-F269 HydrophobicContact CD1-CD2 3.44Å; I255-F269 VanDerWaalsContact CD1-CD2 3.44Å; I255-F269 HydrophobicContact CD1-CE1 4.31Å; I255-F269 HydrophobicContact CD1-CE2 3.79Å; I255-F269 HydrophobicContact CD1-CG 3.59Å; I255-F269 HydrophobicContact CD1-CZ 4.21Å; I255-F269 HydrophobicContact CG2-CD2 4.37Å; I255-F269 HydrophobicContact CG2-CE2 4.17Å; I255-L276 HydrophobicContact CD1-CD1 3.93Å; I255-I379 PolarHBondContact N-O 3.28Å; I255-I379 PolarHBondContact O-N 2.66Å; I255-I379 VanDerWaalsContact O-N 3.12Å; I255-F381 HydrophobicContact CD1-CD2 4.44Å; I255-F381 HydrophobicContact CD1-CE2 3.81Å; I255-F381 HydrophobicContact CG1-CE2 4.39Å
256L98Very high92.7Very high5 Ų542.6 Ų42.63%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-107.9118.7-175.5-173.369.9000109.2F238 E239 F372 I374 H376 F378F238-L256 CarbonylContact C-O 3.56Å; F238-L256 WeakPolarHBondContact CA-O 3.37Å; F238-L256 WeakPolarHBondContact CB-O 3.31Å; E239-L256 HydrophobicContact CG-CB 4.19Å; E239-L256 HydrophobicContact CG-CD2 4.47Å; E239-L256 PolarHBondContact N-O 2.88Å; E239-L256 PolarHBondContact O-N 2.96Å; L256-F372 HydrophobicContact CB-CE1 4.08Å; L256-F372 HydrophobicContact CB-CE2 4.13Å; L256-F372 HydrophobicContact CB-CZ 3.53Å; L256-F372 HydrophobicContact CD2-CD1 4.43Å; L256-F372 HydrophobicContact CD2-CE1 4.1Å; L256-F372 HydrophobicContact CD2-CE2 4.43Å; L256-F372 HydrophobicContact CD2-CZ 4.12Å; L256-F372 HydrophobicContact CG-CZ 4.47Å; L256-I374 HydrophobicContact CD1-CB 4.38Å; L256-I374 HydrophobicContact CD1-CG1 4.32Å; L256-I374 HydrophobicContact CD1-CG2 4.09Å; L256-I374 HydrophobicContact CD2-CG1 4.37Å; L256-H376 WeakPolarHBondContact CD1-NE2 3.39Å; L256-F378 HydrophobicContact CD1-CB 3.95Å
257P97.6Very high92.7Very high3 Ų338.8 Ų38.82%0.01919%0.186CC..EExtended strand (participates in β ladder)trans-70.2140.8176.932.3-32.9000109.2N262 L263 I266 H376 P377P257-N262 WeakPolarHBondContact CB-O 3.33Å; P257-L263 HydrophobicContact CG-CD2 4Å; P257-I266 HydrophobicContact CB-CD1 4.23Å; P257-I266 HydrophobicContact CG-CD1 4.07Å; P257-H376 PolarHBondContact O-NE2 3.21Å; P257-P377 VanDerWaalsContact CD-O 3.28Å; P257-P377 WeakPolarHBondContact CD-O 3.31Å; P257-P377 WeakPolarHBondContact CG-O 3.39Å
258K95.8Very high92.8Very high79 Ų7940.1 Ų40.134%0.34319%0.191SC..SBendtrans-71.8-34.6176.9-72.2-176.6176.6-690111.7D232 G237 E239D232-K258 VanDerWaalsContact CG-NZ 3.29Å; D232-K258 WeakPolarHBondContact OD1-CE 3.38Å; D232-K258 IonicContact OD1-NZ 3.33Å; D232-K258 PolarHBondContact OD1-NZ 2.74Å; D232-K258 VanDerWaalsContact OD2-CE 3.29Å; D232-K258 WeakPolarHBondContact OD2-CE 3.02Å; D232-K258 IonicContact OD2-NZ 2.72Å; D232-K258 PolarHBondContact OD2-NZ 3.27Å; G237-K258 PolarHBondContact O-N 3.38Å; E239-K258 IonicContact OE1-NZ 2.95Å; E239-K258 PolarHBondContact OE1-NZ 3.13Å
259E94.2Very high92.8Very high125 Ų12536.7 Ų36.758%0.58417%0.17SC*.SBendtrans-87.4113.1168.3-68.7-178.3173.800109.3W261 N262E259-W261 PolarHBondContact O-N 2.86Å; E259-N262 HydrophobicContact CB-CB 3.74Å; E259-N262 PolarHBondContact O-N 3.3Å; E259-N262 PolarHBondContact OE2-ND2 3.36Å
260K89.8Confident92.5Very high63 Ų6336.3 Ų36.327%0.27417%0.169SC..THydrogen-bonded Turntrans-55.8-20.8-161.8-51.7-172.1-170170.40116.8E210 H376E210-K260 IonicContact OE1-NZ 2.61Å; E210-K260 PolarHBondContact OE1-NZ 3.44Å; E210-K260 WeakPolarHBondContact OE2-CD 3.33Å; E210-K260 IonicContact OE2-NZ 2.8Å; E210-K260 PolarHBondContact OE2-NZ 3.46Å; K260-H376 WeakPolarHBondContact CA-CD2 3.1Å; K260-H376 HydrophobicContact CB-CB 3.65Å; K260-H376 HydrophobicContact CD-CB 4.27Å; K260-H376 HydrophobicContact CG-CB 4.21Å; K260-H376 PolarHBondContact O-CD2 2.99Å; K260-H376 VanDerWaalsContact O-CD2 3.27Å
261W85.8Confident92.1Very high121 Ų12140 Ų4046%0.45819%0.187SC..THydrogen-bonded Turntrans-119.4-0.9-175.3-46-85.2000112.9S212 E259 L263S212-W261 VanDerWaalsContact CA-CD1 3.42Å; E259-W261 PolarHBondContact O-N 2.86Å; W261-L263 PolarHBondContact O-N 3.5Å
262N87.9Confident91.4Very high60 Ų6041.7 Ų41.732%0.32120%0.204SC..  trans-9287.8-176.6-169.9-9.4000109.9P257 E259 N264P257-N262 WeakPolarHBondContact CB-O 3.33Å; E259-N262 HydrophobicContact CB-CB 3.74Å; E259-N262 PolarHBondContact O-N 3.3Å; E259-N262 PolarHBondContact OE2-ND2 3.36Å; N262-N264 VanDerWaalsContact C-N 3.3Å; N262-N264 WeakPolarHBondContact OD1-CB 3.01Å; N262-N264 PolarHBondContact OD1-N 3.03Å; N262-N264 PolarHBondContact OD1-ND2 3.32Å
263L88.6Confident90.7Very high25 Ų2546.5 Ų46.513%0.13123%0.23CC..  trans-87.20.3176.9-56.6176.6000112.8P257 W261 Y265 I266 S267 P377 I397P257-L263 HydrophobicContact CG-CD2 4Å; W261-L263 PolarHBondContact O-N 3.5Å; L263-Y265 PolarHBondContact O-N 2.92Å; L263-I266 HydrophobicContact CB-CG1 4.34Å; L263-I266 HydrophobicContact CD2-CD1 3.62Å; L263-I266 HydrophobicContact CD2-CG1 4.15Å; L263-I266 PolarHBondContact O-N 2.86Å; L263-S267 VanDerWaalsContact O-CB 3.23Å; L263-S267 WeakPolarHBondContact O-CB 3.32Å; L263-S267 PolarHBondContact O-N 3.31Å; L263-S267 PolarHBondContact O-OG 3.45Å; L263-P377 HydrophobicContact CD1-CB 4.09Å; L263-P377 HydrophobicContact CD2-CB 4.04Å; L263-P377 HydrophobicContact CG-CB 4.5Å; L263-I397 HydrophobicContact CD1-CD1 3.31Å
264N86.9Confident90Very high122 Ų12249.1 Ų49.165%0.65224%0.242SC*.THydrogen-bonded Turntrans-62.1-47.2-168-66.3-27.1000112.1N262 Q268N262-N264 VanDerWaalsContact C-N 3.3Å; N262-N264 WeakPolarHBondContact OD1-CB 3.01Å; N262-N264 PolarHBondContact OD1-N 3.03Å; N262-N264 PolarHBondContact OD1-ND2 3.32Å; N264-Q268 PolarHBondContact O-NE2 3.35Å
265Y87.8Confident89.5Confident77 Ų7751.6 Ų51.630%0.30226%0.259SS..THydrogen-bonded Turntrans-70.7-48.8179.2-168.2-82.1000111.1E236 F238 L263 S267 Q268 F269 Y279E236-Y265 HydrophobicContact CB-CD1 4.02Å; E236-Y265 HydrophobicContact CB-CE1 3.57Å; E236-Y265 HydrophobicContact CB-CE2 4.17Å; E236-Y265 HydrophobicContact CG-CE1 3.85Å; E236-Y265 HydrophobicContact CG-CE2 4.22Å; E236-Y265 VanDerWaalsContact CG-OH 3.24Å; E236-Y265 WeakPolarHBondContact CG-OH 3.27Å; F238-Y265 AromaticContact CD1-CD1 3.77Å; F238-Y265 HydrophobicContact CD1-CD1 3.77Å; F238-Y265 HydrophobicContact CD1-CE1 4Å; F238-Y265 AromaticContact CE1-CD1 3.79Å; F238-Y265 HydrophobicContact CE1-CD1 3.79Å; F238-Y265 AromaticContact CE1-CE1 3.53Å; F238-Y265 HydrophobicContact CE1-CE1 3.53Å; L263-Y265 PolarHBondContact O-N 2.92Å; Y265-S267 PolarHBondContact O-N 3.02Å; Y265-Q268 WeakPolarHBondContact O-CB 3.03Å; Y265-Q268 WeakPolarHBondContact O-CG 3.34Å; Y265-Q268 PolarHBondContact O-N 2.86Å; Y265-F269 HydrophobicContact CE1-CE2 4.46Å; Y265-Y279 PolarHBondContact OH-OH 2.88Å; Y265-Y279 VanDerWaalsContact OH-OH 3.07Å
266I90.3Very high89.2Confident2 Ų251.9 Ų51.91%0.0126%0.261CS..THydrogen-bonded Turntrans-69.5-22.7-17565.2164.4000112.4F238 I255 P257 L263 Q268 F269 I379F238-I266 HydrophobicContact CB-CG2 3.6Å; F238-I266 HydrophobicContact CD1-CG2 4.05Å; F238-I266 HydrophobicContact CG-CG2 3.81Å; I255-I266 HydrophobicContact CG2-CB 3.92Å; I255-I266 HydrophobicContact CG2-CG2 3.54Å; P257-I266 HydrophobicContact CB-CD1 4.23Å; P257-I266 HydrophobicContact CG-CD1 4.07Å; L263-I266 HydrophobicContact CB-CG1 4.34Å; L263-I266 HydrophobicContact CD2-CD1 3.62Å; L263-I266 HydrophobicContact CD2-CG1 4.15Å; L263-I266 PolarHBondContact O-N 2.86Å; I266-Q268 PolarHBondContact O-N 2.78Å; I266-F269 HydrophobicContact CB-CD2 4.45Å; I266-F269 WeakPolarHBondContact O-CB 3.5Å; I266-F269 WeakPolarHBondContact O-CD2 3.33Å; I266-F269 PolarHBondContact O-N 3.38Å; I266-I379 VanDerWaalsContact C-CD1 3.43Å; I266-I379 HydrophobicContact CB-CD1 3.96Å; I266-I379 HydrophobicContact CD1-CB 4.28Å; I266-I379 HydrophobicContact CD1-CD1 3.71Å; I266-I379 HydrophobicContact CD1-CG1 3.86Å; I266-I379 HydrophobicContact CG1-CD1 3.57Å; I266-I379 HydrophobicContact CG1-CG1 4.3Å; I266-I379 VanDerWaalsContact O-CD1 3.22Å; I266-I379 WeakPolarHBondContact O-CD1 3.3Å
267S90.7Very high88.9Confident20 Ų2054.6 Ų54.614%0.1427%0.273CS..Hα-helixtrans-64.4-18.2171.4-610000112.6L263 Y265 F269 L270 M271L263-S267 VanDerWaalsContact O-CB 3.23Å; L263-S267 WeakPolarHBondContact O-CB 3.32Å; L263-S267 PolarHBondContact O-N 3.31Å; L263-S267 PolarHBondContact O-OG 3.45Å; Y265-S267 PolarHBondContact O-N 3.02Å; S267-F269 PolarHBondContact O-N 2.94Å; S267-L270 WeakPolarHBondContact O-CB 3.5Å; S267-L270 PolarHBondContact O-N 2.75Å; S267-L270 VanDerWaalsContact O-N 3.08Å; S267-M271 WeakPolarHBondContact O-CG 3.42Å; S267-M271 PolarHBondContact O-N 3.41Å
268Q90.2Very high88.6Confident54 Ų5458.5 Ų58.525%0.25229%0.294SS..Hα-helixtrans-65.6-25.5174.8-57.9-54.9-52.200112.9N264 Y265 I266 L270 M271 G272 N273 Q274N264-Q268 PolarHBondContact O-NE2 3.35Å; Y265-Q268 WeakPolarHBondContact O-CB 3.03Å; Y265-Q268 WeakPolarHBondContact O-CG 3.34Å; Y265-Q268 PolarHBondContact O-N 2.86Å; I266-Q268 PolarHBondContact O-N 2.78Å; Q268-L270 VanDerWaalsContact C-N 3.32Å; Q268-M271 PolarHBondContact O-N 2.91Å; Q268-G272 PolarHBondContact O-N 3.27Å; Q268-N273 HydrophobicContact CB-CB 4.18Å; Q268-N273 PolarHBondContact O-N 3.4Å; Q268-N273 PolarHBondContact OE1-ND2 3.22Å; Q268-Q274 HydrophobicContact CB-CG 3.77Å; Q268-Q274 PolarHBondContact O-N 2.66Å
269F90.2Very high88.7Confident2 Ų255.6 Ų55.61%0.00928%0.281CS..Hα-helixtrans-65.8-37.5171.1-70.6-77.3000111.8F238 M240 I255 Y265 I266 S267 G272 Q274 L276 Y279 F381F238-F269 AromaticContact CE1-CE2 3.93Å; F238-F269 HydrophobicContact CE1-CE2 3.93Å; F238-F269 HydrophobicContact CE1-CZ 4.14Å; F238-F269 HydrophobicContact CE2-CE2 4.17Å; F238-F269 HydrophobicContact CE2-CZ 4.2Å; F238-F269 AromaticContact CZ-CE2 3.69Å; F238-F269 HydrophobicContact CZ-CE2 3.69Å; F238-F269 AromaticContact CZ-CZ 3.59Å; F238-F269 HydrophobicContact CZ-CZ 3.59Å; M240-F269 HydrophobicContact CE-CE1 4.43Å; M240-F269 HydrophobicContact CE-CZ 4.25Å; I255-F269 HydrophobicContact CD1-CB 4.12Å; I255-F269 HydrophobicContact CD1-CD1 4.03Å; I255-F269 HydrophobicContact CD1-CD2 3.44Å; I255-F269 VanDerWaalsContact CD1-CD2 3.44Å; I255-F269 HydrophobicContact CD1-CE1 4.31Å; I255-F269 HydrophobicContact CD1-CE2 3.79Å; I255-F269 HydrophobicContact CD1-CG 3.59Å; I255-F269 HydrophobicContact CD1-CZ 4.21Å; I255-F269 HydrophobicContact CG2-CD2 4.37Å; I255-F269 HydrophobicContact CG2-CE2 4.17Å; Y265-F269 HydrophobicContact CE1-CE2 4.46Å; I266-F269 HydrophobicContact CB-CD2 4.45Å; I266-F269 WeakPolarHBondContact O-CB 3.5Å; I266-F269 WeakPolarHBondContact O-CD2 3.33Å; I266-F269 PolarHBondContact O-N 3.38Å; S267-F269 PolarHBondContact O-N 2.94Å; F269-G272 PolarHBondContact O-N 3.33Å; F269-Q274 HydrophobicContact CD1-CB 3.78Å; F269-Q274 HydrophobicContact CE1-CB 3.83Å; F269-Q274 HydrophobicContact CG-CB 4.26Å; F269-Q274 HydrophobicContact CZ-CB 4.33Å; F269-L276 HydrophobicContact CD1-CB 4.35Å; F269-L276 HydrophobicContact CD1-CD1 4.01Å; F269-L276 HydrophobicContact CE1-CD1 4.31Å; F269-Y279 HydrophobicContact CE1-CD1 4.42Å; F269-Y279 AromaticContact CE1-CD2 3.43Å; F269-Y279 HydrophobicContact CE1-CD2 3.43Å; F269-Y279 VanDerWaalsContact CE1-CD2 3.43Å; F269-Y279 AromaticContact CE1-CE2 3.67Å; F269-Y279 HydrophobicContact CE1-CE2 3.67Å; F269-Y279 AromaticContact CE1-CG 3.82Å; F269-Y279 HydrophobicContact CE1-CG 3.82Å; F269-Y279 AromaticContact CZ-CD1 3.96Å; F269-Y279 HydrophobicContact CZ-CD1 3.96Å; F269-Y279 AromaticContact CZ-CD2 3.75Å; F269-Y279 HydrophobicContact CZ-CD2 3.75Å; F269-Y279 HydrophobicContact CZ-CE1 4Å; F269-Y279 AromaticContact CZ-CE2 3.77Å; F269-Y279 HydrophobicContact CZ-CE2 3.77Å; F269-Y279 AromaticContact CZ-CG 3.82Å; F269-Y279 HydrophobicContact CZ-CG 3.82Å; F269-Y279 AromaticContact CZ-CZ 3.88Å; F269-F381 HydrophobicContact CB-CE2 4.38Å; F269-F381 HydrophobicContact CB-CZ 4.1Å
270L87.1Confident88.7Confident4 Ų451 Ų512%0.02126%0.26CS..Hα-helixtrans-74.7-30.7178.2-64.3169.8000112.3I20 N21 L24 S267 Q268 G272 I379 F381 A393 R395I20-L270 HydrophobicContact CG2-CB 4.5Å; I20-L270 HydrophobicContact CG2-CD2 4.19Å; N21-L270 WeakPolarHBondContact CA-O 3.43Å; N21-L270 PolarHBondContact N-O 2.93Å; L24-L270 HydrophobicContact CD1-CB 3.57Å; L24-L270 HydrophobicContact CD1-CD1 3.82Å; L24-L270 HydrophobicContact CD1-CD2 3.54Å; L24-L270 HydrophobicContact CD1-CG 3.78Å; L24-L270 HydrophobicContact CD2-CD1 4.27Å; S267-L270 WeakPolarHBondContact O-CB 3.5Å; S267-L270 PolarHBondContact O-N 2.75Å; S267-L270 VanDerWaalsContact O-N 3.08Å; Q268-L270 VanDerWaalsContact C-N 3.32Å; L270-G272 PolarHBondContact O-N 3.49Å; L270-I379 HydrophobicContact CD1-CD1 3.34Å; L270-I379 HydrophobicContact CD1-CG1 3.79Å; L270-I379 HydrophobicContact CD1-CG2 4.12Å; L270-I379 HydrophobicContact CD2-CG2 3.8Å; L270-I379 HydrophobicContact CG-CD1 3.92Å; L270-I379 HydrophobicContact CG-CG2 4.05Å; L270-F381 HydrophobicContact CD2-CE1 3.72Å; L270-F381 HydrophobicContact CD2-CZ 3.51Å; L270-F381 HydrophobicContact CG-CZ 4.32Å; L270-A393 HydrophobicContact CD2-CB 3.88Å; L270-R395 HydrophobicContact CD1-CB 4.38Å
271M84.5Confident89Confident78 Ų7854.4 Ų54.438%0.38428%0.277SS..THydrogen-bonded Turntrans-77.8-6.5176.3-65.5173.5175.500113.2S267 Q268 N273S267-M271 WeakPolarHBondContact O-CG 3.42Å; S267-M271 PolarHBondContact O-N 3.41Å; Q268-M271 PolarHBondContact O-N 2.91Å; M271-N273 PolarHBondContact O-N 3.4Å
272G82.5Confident89.5Confident34 Ų3453.7 Ų53.735%0.35128%0.279SS..THydrogen-bonded Turntrans73.66.1-173.700000114.5Q268 F269 L270 Q274Q268-G272 PolarHBondContact O-N 3.27Å; F269-G272 PolarHBondContact O-N 3.33Å; L270-G272 PolarHBondContact O-N 3.49Å; G272-Q274 PolarHBondContact O-N 3.42Å
273N82.6Confident90Very high103 Ų10352.2 Ų52.255%0.55127%0.271SS*.SBendtrans-74.4-14.6178-69.4-22.6000112.6Q268 M271Q268-N273 HydrophobicContact CB-CB 4.18Å; Q268-N273 PolarHBondContact O-N 3.4Å; Q268-N273 PolarHBondContact OE1-ND2 3.22Å; M271-N273 PolarHBondContact O-N 3.4Å
274Q83.5Confident90.4Very high55 Ų5557.8 Ų57.826%0.25729%0.294SS..SBendtrans-126.9128.7175.1-65.7-63.6-34.100109.6Q268 F269 G272 L276 Y279Q268-Q274 HydrophobicContact CB-CG 3.77Å; Q268-Q274 PolarHBondContact O-N 2.66Å; F269-Q274 HydrophobicContact CD1-CB 3.78Å; F269-Q274 HydrophobicContact CE1-CB 3.83Å; F269-Q274 HydrophobicContact CG-CB 4.26Å; F269-Q274 HydrophobicContact CZ-CB 4.33Å; G272-Q274 PolarHBondContact O-N 3.42Å; Q274-L276 PolarHBondContact O-N 2.78Å; Q274-L276 VanDerWaalsContact O-N 3.16Å; Q274-Y279 HydrophobicContact CB-CE2 4.19Å; Q274-Y279 PolarHBondContact OE1-OH 2.83Å
275S87.3Confident90.8Very high51 Ų5156.1 Ų56.136%0.35729%0.292SS..  trans-73.4105.8175.81710000110Q277 N278 Y279S275-Q277 PolarHBondContact O-N 3.01Å; S275-N278 PolarHBondContact O-N 2.97Å; S275-N278 VanDerWaalsContact O-N 3.12Å; S275-N278 PolarHBondContact OG-N 3.4Å; S275-Y279 WeakPolarHBondContact O-CD2 2.87Å
276L91.8Very high91.2Very high6 Ų655 Ų553%0.03129%0.289CS..Hα-helixtrans-53.6-40.3176.8-177.262.8000111.9M240 I253 I255 F269 Q274 N278 Y279 I280 F381 Y383M240-L276 HydrophobicContact CE-CD1 4.18Å; I253-L276 HydrophobicContact CG2-CD1 4.32Å; I255-L276 HydrophobicContact CD1-CD1 3.93Å; F269-L276 HydrophobicContact CD1-CB 4.35Å; F269-L276 HydrophobicContact CD1-CD1 4.01Å; F269-L276 HydrophobicContact CE1-CD1 4.31Å; Q274-L276 PolarHBondContact O-N 2.78Å; Q274-L276 VanDerWaalsContact O-N 3.16Å; L276-N278 VanDerWaalsContact C-N 3.3Å; L276-N278 PolarHBondContact O-N 3.08Å; L276-Y279 PolarHBondContact O-N 3.16Å; L276-Y279 VanDerWaalsContact O-N 3.12Å; L276-I280 HydrophobicContact CD1-CD1 4.35Å; L276-I280 HydrophobicContact CD1-CG1 4.42Å; L276-I280 HydrophobicContact CD2-CD1 4.19Å; L276-I280 HydrophobicContact CG-CD1 3.75Å; L276-I280 HydrophobicContact CG-CG1 4.26Å; L276-I280 WeakPolarHBondContact O-CG1 3.39Å; L276-I280 PolarHBondContact O-N 3.47Å; L276-F381 HydrophobicContact CD1-CD2 4.35Å; L276-F381 HydrophobicContact CD1-CE2 4.31Å; L276-F381 HydrophobicContact CD2-CB 4.19Å; L276-F381 HydrophobicContact CD2-CD1 4.09Å; L276-F381 HydrophobicContact CD2-CD2 3.86Å; L276-F381 HydrophobicContact CD2-CE1 4.43Å; L276-F381 HydrophobicContact CD2-CE2 4.23Å; L276-F381 HydrophobicContact CD2-CG 3.79Å; L276-F381 HydrophobicContact CD2-CZ 4.49Å; L276-Y383 HydrophobicContact CD2-CD2 3.86Å; L276-Y383 HydrophobicContact CD2-CE2 4.16Å
277Q91.7Very high91.4Very high62 Ų6257.4 Ų57.429%0.2930%0.298SS..Hα-helixtrans-55-43.8178.3-174-17316.700112.3S275 Y279 I280 Q281 N388S275-Q277 PolarHBondContact O-N 3.01Å; Q277-Y279 VanDerWaalsContact C-N 3.26Å; Q277-Y279 PolarHBondContact O-N 3.19Å; Q277-I280 PolarHBondContact O-N 2.95Å; Q277-Q281 WeakPolarHBondContact O-CG 2.98Å; Q277-Q281 PolarHBondContact O-N 3.19Å; Q277-N388 HydrophobicContact CG-CB 4.41Å; Q277-N388 WeakPolarHBondContact CG-OD1 3.49Å; Q277-N388 PolarHBondContact NE2-OD1 3.5Å
278N92.6Very high91.7Very high86 Ų8656.4 Ų56.446%0.4629%0.291SS..Hα-helixtrans-64.3-31.9-178.3-69.2-5.9000112.2S275 L276 Q282S275-N278 PolarHBondContact O-N 2.97Å; S275-N278 VanDerWaalsContact O-N 3.12Å; S275-N278 PolarHBondContact OG-N 3.4Å; L276-N278 VanDerWaalsContact C-N 3.3Å; L276-N278 PolarHBondContact O-N 3.08Å; N278-Q282 WeakPolarHBondContact O-CG 3.18Å; N278-Q282 PolarHBondContact O-NE2 2.92Å
279Y95.9Very high92Very high18 Ų1854 Ų547%0.07128%0.281CS..Hα-helixtrans-80.6-38.4176.8-70.7-100.6000111.3F233 F238 M240 Y265 F269 Q274 S275 L276 Q277 Q281 Q282F233-Y279 AromaticContact CD1-CD1 3.76Å; F233-Y279 HydrophobicContact CD1-CD1 3.76Å; F233-Y279 AromaticContact CD1-CE1 3.96Å; F233-Y279 HydrophobicContact CD1-CE1 3.96Å; F233-Y279 HydrophobicContact CD2-CD1 4.25Å; F233-Y279 AromaticContact CE1-CD1 3.48Å; F233-Y279 HydrophobicContact CE1-CD1 3.48Å; F233-Y279 VanDerWaalsContact CE1-CD1 3.48Å; F233-Y279 HydrophobicContact CE1-CE1 4.09Å; F233-Y279 HydrophobicContact CE1-CG 4.45Å; F233-Y279 AromaticContact CE2-CD1 3.96Å; F233-Y279 HydrophobicContact CE2-CD1 3.96Å; F233-Y279 HydrophobicContact CG-CD1 4.13Å; F233-Y279 HydrophobicContact CG-CE1 4.37Å; F233-Y279 AromaticContact CZ-CD1 3.58Å; F233-Y279 HydrophobicContact CZ-CD1 3.58Å; F233-Y279 HydrophobicContact CZ-CG 4.29Å; F238-Y279 HydrophobicContact CE1-CE1 4.12Å; F238-Y279 HydrophobicContact CE2-CD1 4.43Å; F238-Y279 AromaticContact CZ-CD1 3.65Å; F238-Y279 HydrophobicContact CZ-CD1 3.65Å; F238-Y279 AromaticContact CZ-CE1 3.61Å; F238-Y279 HydrophobicContact CZ-CE1 3.61Å; M240-Y279 HydrophobicContact CE-CG 4.3Å; Y265-Y279 PolarHBondContact OH-OH 2.88Å; Y265-Y279 VanDerWaalsContact OH-OH 3.07Å; F269-Y279 HydrophobicContact CE1-CD1 4.42Å; F269-Y279 AromaticContact CE1-CD2 3.43Å; F269-Y279 HydrophobicContact CE1-CD2 3.43Å; F269-Y279 VanDerWaalsContact CE1-CD2 3.43Å; F269-Y279 AromaticContact CE1-CE2 3.67Å; F269-Y279 HydrophobicContact CE1-CE2 3.67Å; F269-Y279 AromaticContact CE1-CG 3.82Å; F269-Y279 HydrophobicContact CE1-CG 3.82Å; F269-Y279 AromaticContact CZ-CD1 3.96Å; F269-Y279 HydrophobicContact CZ-CD1 3.96Å; F269-Y279 AromaticContact CZ-CD2 3.75Å; F269-Y279 HydrophobicContact CZ-CD2 3.75Å; F269-Y279 HydrophobicContact CZ-CE1 4Å; F269-Y279 AromaticContact CZ-CE2 3.77Å; F269-Y279 HydrophobicContact CZ-CE2 3.77Å; F269-Y279 AromaticContact CZ-CG 3.82Å; F269-Y279 HydrophobicContact CZ-CG 3.82Å; F269-Y279 AromaticContact CZ-CZ 3.88Å; Q274-Y279 HydrophobicContact CB-CE2 4.19Å; Q274-Y279 PolarHBondContact OE1-OH 2.83Å; S275-Y279 WeakPolarHBondContact O-CD2 2.87Å; L276-Y279 PolarHBondContact O-N 3.16Å; L276-Y279 VanDerWaalsContact O-N 3.12Å; Q277-Y279 VanDerWaalsContact C-N 3.26Å; Q277-Y279 PolarHBondContact O-N 3.19Å; Y279-Q281 VanDerWaalsContact C-N 3.26Å; Y279-Q281 PolarHBondContact O-N 3.31Å; Y279-Q282 WeakPolarHBondContact O-CB 3.42Å; Y279-Q282 PolarHBondContact O-N 2.87Å
280I95.3Very high92.3Very high28 Ų2854 Ų5414%0.14428%0.28CS..Hα-helixtrans-58.4-39.7174.6-69.3172.6000111.1M240 I253 L276 Q277 Q282 L283 Y383M240-I280 HydrophobicContact SD-CG1 4.3Å; I253-I280 HydrophobicContact CD1-CD1 3.96Å; I253-I280 HydrophobicContact CD1-CG1 4.21Å; I253-I280 HydrophobicContact CG1-CD1 3.91Å; I253-I280 HydrophobicContact CG1-CG1 4.46Å; I253-I280 HydrophobicContact CG2-CG1 4.49Å; L276-I280 HydrophobicContact CD1-CD1 4.35Å; L276-I280 HydrophobicContact CD1-CG1 4.42Å; L276-I280 HydrophobicContact CD2-CD1 4.19Å; L276-I280 HydrophobicContact CG-CD1 3.75Å; L276-I280 HydrophobicContact CG-CG1 4.26Å; L276-I280 WeakPolarHBondContact O-CG1 3.39Å; L276-I280 PolarHBondContact O-N 3.47Å; Q277-I280 PolarHBondContact O-N 2.95Å; I280-Q282 PolarHBondContact O-N 3.27Å; I280-L283 HydrophobicContact CG2-CD1 4.42Å; I280-L283 WeakPolarHBondContact O-CB 3.21Å; I280-L283 VanDerWaalsContact O-CG 3.28Å; I280-L283 WeakPolarHBondContact O-CG 3.07Å; I280-L283 PolarHBondContact O-N 2.96Å; I280-Y383 HydrophobicContact CD1-CD1 3.63Å; I280-Y383 HydrophobicContact CD1-CD2 3.97Å; I280-Y383 HydrophobicContact CD1-CE1 3.62Å; I280-Y383 HydrophobicContact CD1-CE2 3.97Å; I280-Y383 HydrophobicContact CD1-CG 3.79Å
281Q95Very high92.8Very high135 Ų13557.4 Ų57.463%0.63130%0.295SS*.THydrogen-bonded Turntrans-65.8-17.4178-73.1174.80.700114.2Q277 Y279Q277-Q281 WeakPolarHBondContact O-CG 2.98Å; Q277-Q281 PolarHBondContact O-N 3.19Å; Y279-Q281 VanDerWaalsContact C-N 3.26Å; Y279-Q281 PolarHBondContact O-N 3.31Å
282Q97.2Very high93.5Very high106 Ų10653.8 Ų53.850%0.49528%0.277SS..THydrogen-bonded Turntrans-90.3-9.3178.4-67.2173.872.500112.9F233 N278 Y279 I280F233-Q282 HydrophobicContact CE1-CB 4.34Å; F233-Q282 HydrophobicContact CZ-CB 4.19Å; N278-Q282 WeakPolarHBondContact O-CG 3.18Å; N278-Q282 PolarHBondContact O-NE2 2.92Å; Y279-Q282 WeakPolarHBondContact O-CB 3.42Å; Y279-Q282 PolarHBondContact O-N 2.87Å; I280-Q282 PolarHBondContact O-N 3.27Å
283L98Very high94.2Very high28 Ų2852.1 Ų52.115%0.14726%0.261CS..  trans-64138.1177.9-58.4179.9000110.5A231 M240 S242 I280A231-L283 HydrophobicContact CB-CD2 3.72Å; M240-L283 HydrophobicContact CB-CD2 4.03Å; M240-L283 HydrophobicContact CG-CD2 4.05Å; M240-L283 HydrophobicContact SD-CD1 4.29Å; M240-L283 HydrophobicContact SD-CD2 4.05Å; M240-L283 HydrophobicContact SD-CG 4.49Å; S242-L283 VanDerWaalsContact CB-CD1 3.44Å; I280-L283 HydrophobicContact CG2-CD1 4.42Å; I280-L283 WeakPolarHBondContact O-CB 3.21Å; I280-L283 VanDerWaalsContact O-CG 3.28Å; I280-L283 WeakPolarHBondContact O-CG 3.07Å; I280-L283 PolarHBondContact O-N 2.96Å
284K97.3Very high94.8Very high143 Ų14350.1 Ų50.162%0.62225%0.247SC*.EExtended strand (participates in β ladder)trans-115.1148.1175.1-64.5178-175.9171.50109.4L228 G229 Y230 E286L228-K284 VanDerWaalsContact O-O 3.12Å; G229-K284 CarbonylContact C-O 3.57Å; G229-K284 WeakPolarHBondContact CA-O 3.41Å; Y230-K284 PolarHBondContact N-O 3.28Å; Y230-K284 PolarHBondContact O-N 3.46Å; K284-E286 HydrophobicContact CB-CG 4.43Å; K284-E286 PolarHBondContact O-N 3.07Å; K284-E286 VanDerWaalsContact O-N 3.13Å
285S95.9Very high95.3Very high86 Ų8647.6 Ų47.660%0.60124%0.235SC*.EExtended strand (participates in β ladder)trans-63.9115170-1700000108.5E227 L228E227-S285 PolarHBondContact OE2-OG 3.01Å; E227-S285 VanDerWaalsContact OE2-OG 3.05Å; L228-S285 WeakPolarHBondContact O-CA 3.46Å
286E95.4Very high95.4Very high54 Ų5448 Ų4825%0.25223%0.23SC..EExtended strand (participates in β ladder)trans-134.3149.6175.8-63.6-68.2168.200109.7E227 L228 Y230 K284 V288 I370E227-E286 WeakPolarHBondContact CA-O 3.49Å; E227-E286 VanDerWaalsContact OE2-C 3.22Å; E227-E286 PolarHBondContact OE2-N 3.24Å; L228-E286 PolarHBondContact N-O 2.99Å; L228-E286 PolarHBondContact O-N 2.9Å; Y230-E286 HydrophobicContact CD1-CG 4.26Å; K284-E286 HydrophobicContact CB-CG 4.43Å; K284-E286 PolarHBondContact O-N 3.07Å; K284-E286 VanDerWaalsContact O-N 3.13Å; E286-V288 PolarHBondContact O-N 3.44Å; E286-I370 HydrophobicContact CB-CD1 3.69Å; E286-I370 HydrophobicContact CG-CD1 3.9Å
287R94.3Very high95.3Very high52 Ų5248 Ų4820%0.19623%0.23CC..EExtended strand (participates in β ladder)trans-72.2115.5171.2-167.7-177167.6-176.9-4.3109.6E225 E227 S365 R367 P369 I370E225-R287 IonicContact OE2-CZ 3.6Å; E225-R287 IonicContact OE2-NE 3.65Å; E225-R287 IonicContact OE2-NH2 2.73Å; E225-R287 PolarHBondContact OE2-NH2 3.1Å; E227-R287 WeakPolarHBondContact OE1-CB 3.22Å; E227-R287 PolarHBondContact OE2-N 2.92Å; R287-S365 PolarHBondContact NH1-O 3.14Å; R287-R367 PolarHBondContact NH1-O 3.12Å; R287-P369 HydrophobicContact CG-CB 4.1Å; R287-P369 CarbonylContact O-C 3.53Å; R287-P369 VanDerWaalsContact O-CA 3.31Å; R287-P369 WeakPolarHBondContact O-CA 3.28Å; R287-I370 PolarHBondContact O-N 2.94Å
288V96.6Very high95.1Very high0 Ų049.4 Ų49.40%024%0.237CC..EExtended strand (participates in β ladder)trans-117.2133.4-176.8177.90000110.1E225 E226 L228 Y230 E286 L290 I370 F372E225-V288 VanDerWaalsContact CA-O 3.31Å; E225-V288 WeakPolarHBondContact CA-O 3.38Å; E226-V288 PolarHBondContact N-O 2.74Å; E226-V288 PolarHBondContact O-N 3.5Å; L228-V288 HydrophobicContact CB-CB 4.41Å; L228-V288 HydrophobicContact CB-CG2 4.14Å; L228-V288 HydrophobicContact CD1-CB 4.07Å; L228-V288 HydrophobicContact CD1-CG1 4.21Å; L228-V288 HydrophobicContact CG-CB 4.45Å; Y230-V288 HydrophobicContact CG-CG2 4.42Å; E286-V288 PolarHBondContact O-N 3.44Å; V288-L290 HydrophobicContact CG1-CB 4.27Å; V288-I370 CarbonylContact C-O 3.31Å; V288-I370 WeakPolarHBondContact CA-O 3.42Å; V288-I370 HydrophobicContact CG2-CB 4.33Å; V288-F372 HydrophobicContact CG1-CB 3.52Å
289S96.8Very high94.9Very high4 Ų446 Ų463%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-87.7100.6162.3-179.50000107.4F223 I370 F372 H373F223-S289 WeakPolarHBondContact CE2-OG 3.3Å; S289-I370 PolarHBondContact N-O 3.48Å; S289-F372 PolarHBondContact O-N 2.96Å; S289-H373 PolarHBondContact O-CD2 3.45Å; S289-H373 VanDerWaalsContact O-CD2 3.3Å; S289-H373 PolarHBondContact O-NE2 2.85Å; S289-H373 PolarHBondContact OG-NE2 2.81Å
290L98Very high94.6Very high0 Ų048.3 Ų48.30%024%0.236CC..EExtended strand (participates in β ladder)trans-97.2125-174178.257.5000110.3F199 F223 N224 L228 I241 K243 V288 L292 F372 I374F199-L290 HydrophobicContact CE1-CD2 4.09Å; F199-L290 HydrophobicContact CE1-CG 4.3Å; F199-L290 HydrophobicContact CZ-CD2 3.74Å; F199-L290 HydrophobicContact CZ-CG 4.33Å; F223-L290 WeakPolarHBondContact CA-O 3.32Å; N224-L290 PolarHBondContact N-O 3.17Å; N224-L290 VanDerWaalsContact N-O 3.16Å; N224-L290 PolarHBondContact O-N 2.75Å; L228-L290 HydrophobicContact CD1-CB 4.37Å; L228-L290 HydrophobicContact CD1-CD2 3.87Å; I241-L290 HydrophobicContact CD1-CD1 3.77Å; I241-L290 HydrophobicContact CD1-CD2 4.02Å; K243-L290 HydrophobicContact CD-CD2 4.13Å; V288-L290 HydrophobicContact CG1-CB 4.27Å; L290-L292 HydrophobicContact CD1-CB 4.35Å; L290-L292 HydrophobicContact CG-CB 4.27Å; L290-F372 HydrophobicContact CD1-CD1 3.84Å; L290-I374 HydrophobicContact CD1-CD1 4.19Å
291K97.8Very high94.3Very high77 Ų7747.5 Ų47.534%0.33523%0.232SC..EExtended strand (participates in β ladder)trans-113.8112.8163.2-78.4-174.9-177.6-177.60108.7I221 M222 F223 F372 H373 I374I221-K291 HydrophobicContact CG2-CB 3.5Å; I221-K291 HydrophobicContact CG2-CD 4.1Å; I221-K291 HydrophobicContact CG2-CG 3.79Å; M222-K291 WeakPolarHBondContact O-CA 3.45Å; F223-K291 HydrophobicContact CD2-CG 3.9Å; K291-F372 PolarHBondContact N-O 2.87Å; K291-F372 VanDerWaalsContact N-O 3.12Å; K291-H373 HydrophobicContact CB-CB 4.02Å; K291-H373 HydrophobicContact CD-CB 4.32Å; K291-I374 WeakPolarHBondContact O-CB 2.99Å; K291-I374 PolarHBondContact O-N 3.29Å
292L97.5Very high94.2Very high1 Ų144.4 Ų44.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-120.5122.2-176.9175.864.6000109.4W195 F199 M222 F252 L290 K294 I345 I374W195-L292 HydrophobicContact CZ2-CD2 4.35Å; F199-L292 HydrophobicContact CE2-CD2 3.99Å; F199-L292 HydrophobicContact CZ-CB 4.11Å; F199-L292 HydrophobicContact CZ-CD2 3.87Å; M222-L292 WeakPolarHBondContact CB-O 3.4Å; M222-L292 HydrophobicContact CE-CB 4.16Å; M222-L292 HydrophobicContact CE-CD2 3.72Å; M222-L292 HydrophobicContact CE-CG 3.74Å; M222-L292 PolarHBondContact N-O 3.27Å; M222-L292 PolarHBondContact O-N 3.18Å; F252-L292 HydrophobicContact CE1-CD1 3.98Å; F252-L292 HydrophobicContact CE1-CD2 4.27Å; L290-L292 HydrophobicContact CD1-CB 4.35Å; L290-L292 HydrophobicContact CG-CB 4.27Å; L292-K294 PolarHBondContact O-N 3.1Å; L292-I345 HydrophobicContact CD2-CG2 3.91Å; L292-I345 HydrophobicContact CG-CG2 4.28Å; L292-I374 HydrophobicContact CB-CD1 4.3Å; L292-I374 HydrophobicContact CD1-CD1 3.43Å; L292-I374 VanDerWaalsContact CD1-CD1 3.43Å; L292-I374 HydrophobicContact CG-CD1 4.46Å
293P97.1Very high94Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-60.2137.7172.623.3-33.9000110.9F209 V219 P220 I221 F295 I374 F378 P399F209-P293 HydrophobicContact CE2-CG 4.21Å; V219-P293 HydrophobicContact CG2-CB 4.31Å; P220-P293 WeakPolarHBondContact O-CA 3.49Å; I221-P293 HydrophobicContact CD1-CB 3.67Å; I221-P293 HydrophobicContact CD1-CG 4.41Å; P293-F295 HydrophobicContact CB-CD1 4.44Å; P293-F295 HydrophobicContact CG-CD1 4.27Å; P293-F295 WeakPolarHBondContact O-CD1 3.44Å; P293-I374 HydrophobicContact CG-CG2 4.09Å; P293-F378 HydrophobicContact CG-CE1 3.88Å; P293-F378 HydrophobicContact CG-CZ 4.11Å; P293-P399 HydrophobicContact CB-CB 3.93Å; P293-P399 HydrophobicContact CB-CG 4.02Å; P293-P399 HydrophobicContact CG-CB 4.38Å; P293-P399 HydrophobicContact CG-CG 4.37Å
294K94.9Very high93.9Very high60 Ų6040.6 Ų40.626%0.26120%0.201SC..  trans-78.3128.3163.8170.3172.9-171163.30108.3P220 M222 L292 I345 D346 E347P220-K294 HydrophobicContact CB-CB 4.34Å; P220-K294 HydrophobicContact CG-CB 4Å; P220-K294 HydrophobicContact CG-CD 4.45Å; P220-K294 HydrophobicContact CG-CG 4.41Å; P220-K294 PolarHBondContact O-N 2.97Å; M222-K294 HydrophobicContact CE-CB 4.35Å; M222-K294 HydrophobicContact CG-CB 4Å; M222-K294 HydrophobicContact SD-CB 3.97Å; L292-K294 PolarHBondContact O-N 3.1Å; K294-I345 WeakPolarHBondContact CA-O 3.14Å; K294-I345 WeakPolarHBondContact CG-O 3.2Å; K294-D346 HydrophobicContact CD-CB 4.18Å; K294-D346 HydrophobicContact CG-CB 4.26Å; K294-E347 WeakPolarHBondContact CD-OE2 3.37Å; K294-E347 WeakPolarHBondContact CE-OE2 3.49Å; K294-E347 IonicContact NZ-OE1 3.23Å; K294-E347 IonicContact NZ-OE2 2.62Å; K294-E347 PolarHBondContact NZ-OE2 3.08Å
295F94.2Very high93.7Very high3 Ų337.9 Ų37.91%0.01319%0.194CC..EExtended strand (participates in β ladder)trans-154.4160.9-177.465.9-95000113.2F252 P293 L297 I343 R344 I345 F378 V396 P399 L400F252-F295 HydrophobicContact CZ-CZ 4.36Å; P293-F295 HydrophobicContact CB-CD1 4.44Å; P293-F295 HydrophobicContact CG-CD1 4.27Å; P293-F295 WeakPolarHBondContact O-CD1 3.44Å; F295-L297 HydrophobicContact CD2-CD1 4.33Å; F295-L297 HydrophobicContact CD2-CG 3.82Å; F295-L297 HydrophobicContact CE2-CD1 4.11Å; F295-L297 HydrophobicContact CE2-CG 4.04Å; F295-I343 HydrophobicContact CE2-CG2 4.37Å; F295-R344 CarbonylContact O-C 3.53Å; F295-R344 WeakPolarHBondContact O-CA 3.22Å; F295-I345 HydrophobicContact CD1-CB 4.2Å; F295-I345 HydrophobicContact CD1-CG2 4.44Å; F295-I345 HydrophobicContact CE1-CB 3.89Å; F295-I345 HydrophobicContact CE1-CG1 3.98Å; F295-I345 HydrophobicContact CE1-CG2 4.05Å; F295-I345 HydrophobicContact CE2-CB 4.3Å; F295-I345 HydrophobicContact CE2-CG1 3.9Å; F295-I345 HydrophobicContact CZ-CB 3.97Å; F295-I345 HydrophobicContact CZ-CG1 3.56Å; F295-I345 HydrophobicContact CZ-CG2 4.5Å; F295-I345 PolarHBondContact N-O 3.35Å; F295-I345 PolarHBondContact O-N 2.93Å; F295-F378 HydrophobicContact CD1-CZ 4.39Å; F295-F378 HydrophobicContact CE1-CE2 4.33Å; F295-F378 AromaticContact CE1-CZ 3.72Å; F295-F378 HydrophobicContact CE1-CZ 3.72Å; F295-F378 HydrophobicContact CZ-CE2 4.47Å; F295-F378 HydrophobicContact CZ-CZ 4.18Å; F295-V396 HydrophobicContact CE2-CG2 4.37Å; F295-V396 HydrophobicContact CZ-CG2 4.21Å; F295-P399 HydrophobicContact CB-CB 3.69Å; F295-P399 HydrophobicContact CD1-CB 4.41Å; F295-P399 HydrophobicContact CG-CB 4.3Å; F295-L400 CarbonylContact C-O 3.34Å; F295-L400 WeakPolarHBondContact CA-O 3.38Å; F295-L400 WeakPolarHBondContact CB-O 3.47Å
296K90.7Very high93.6Very high59 Ų5934 Ų3426%0.25717%0.166SC..EExtended strand (participates in β ladder)trans-124.8129166.3-171.8-174.6-169.9-165.10108.3E298 V342 I343 R344 L400 Q401K296-E298 WeakPolarHBondContact CE-OE1 3.5Å; K296-E298 HydrophobicContact CG-CG 4.48Å; K296-E298 IonicContact NZ-OE1 3.04Å; K296-E298 PolarHBondContact NZ-OE1 2.83Å; K296-V342 HydrophobicContact CG-CG1 4.47Å; K296-I343 CarbonylContact C-O 3.55Å; K296-I343 VanDerWaalsContact CA-O 3.32Å; K296-I343 WeakPolarHBondContact CA-O 3.24Å; K296-R344 HydrophobicContact CG-CB 4.41Å; K296-L400 PolarHBondContact N-O 3.28Å; K296-Q401 WeakPolarHBondContact CB-OXT 3.37Å
297L89.7Confident93.6Very high5 Ų531.4 Ų31.43%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-115.9136.7168.4-61.5-179000109.2N30 V32 F295 V342 I343 A394 V396N30-L297 HydrophobicContact CB-CD2 3.95Å; N30-L297 VanDerWaalsContact ND2-CD2 3.27Å; N30-L297 WeakPolarHBondContact ND2-CD2 3.36Å; V32-L297 HydrophobicContact CB-CB 4.21Å; V32-L297 HydrophobicContact CG1-CB 3.94Å; F295-L297 HydrophobicContact CD2-CD1 4.33Å; F295-L297 HydrophobicContact CD2-CG 3.82Å; F295-L297 HydrophobicContact CE2-CD1 4.11Å; F295-L297 HydrophobicContact CE2-CG 4.04Å; L297-V342 WeakPolarHBondContact O-CA 3.48Å; L297-I343 HydrophobicContact CB-CG2 3.74Å; L297-I343 HydrophobicContact CD1-CG2 4.45Å; L297-I343 HydrophobicContact CG-CG2 4.37Å; L297-I343 PolarHBondContact N-O 3.05Å; L297-I343 PolarHBondContact O-N 3.35Å; L297-A394 HydrophobicContact CD1-CB 4.2Å; L297-V396 HydrophobicContact CD1-CB 4.5Å; L297-V396 HydrophobicContact CD1-CG1 4.42Å; L297-V396 HydrophobicContact CD1-CG2 3.83Å
298E87Confident93.7Very high92 Ų9231.7 Ų31.743%0.4316%0.156SC..EExtended strand (participates in β ladder)trans-129.3142171.2-56.2-172.6-162.300108.4K296 K340 D341 V342K296-E298 WeakPolarHBondContact CE-OE1 3.5Å; K296-E298 HydrophobicContact CG-CG 4.48Å; K296-E298 IonicContact NZ-OE1 3.04Å; K296-E298 PolarHBondContact NZ-OE1 2.83Å; E298-K340 WeakPolarHBondContact OE2-CE 3.42Å; E298-K340 IonicContact OE2-NZ 2.62Å; E298-K340 PolarHBondContact OE2-NZ 2.87Å; E298-D341 WeakPolarHBondContact CA-O 3.28Å; E298-V342 HydrophobicContact CB-CG2 4.4Å; E298-V342 HydrophobicContact CG-CG1 4.11Å; E298-V342 HydrophobicContact CG-CG2 3.94Å
299S88.7Confident93.5Very high15 Ų1536.5 Ų36.511%0.10518%0.181CC..EExtended strand (participates in β ladder)trans-147.8136171.242.80000110.3V32 K340 D341V32-S299 VanDerWaalsContact CG1-OG 3.25Å; V32-S299 WeakPolarHBondContact CG1-OG 3.29Å; V32-S299 PolarHBondContact O-OG 3.15Å; S299-K340 WeakPolarHBondContact O-CA 3.17Å; S299-D341 PolarHBondContact N-O 2.92Å; S299-D341 PolarHBondContact O-N 3.44Å
300T88.4Confident93.1Very high66 Ų6637.2 Ų37.241%0.40518%0.184SC..EExtended strand (participates in β ladder)trans-107.9120.8170.6-540000107.6F170 Q339F170-T300 HydrophobicContact CZ-CG2 4.44Å; T300-Q339 CarbonylContact C-O 3.42Å; T300-Q339 VanDerWaalsContact CA-O 3.31Å; T300-Q339 WeakPolarHBondContact CA-O 3.5Å
301L90.7Very high92.9Very high11 Ų1138.6 Ų38.66%0.05820%0.199CC..EExtended strand (participates in β ladder)trans-105.9135.3178.3-64.7177.5000109.9T27 L31 T33 L303 I306 R338 Q339T27-L301 HydrophobicContact CG2-CD2 4.04Å; L31-L301 HydrophobicContact CD1-CD2 3.99Å; T33-L301 WeakPolarHBondContact OG1-CD1 3.2Å; L301-L303 HydrophobicContact CB-CD2 3.83Å; L301-I306 HydrophobicContact CB-CD1 4.28Å; L301-I306 HydrophobicContact CD1-CD1 4.18Å; L301-I306 HydrophobicContact CD2-CD1 4.49Å; L301-R338 VanDerWaalsContact O-CA 3.25Å; L301-R338 WeakPolarHBondContact O-CA 3.16Å; L301-Q339 PolarHBondContact N-O 3.49Å; L301-Q339 PolarHBondContact O-N 3.43Å
302D91.2Very high92.8Very high71 Ų7134.9 Ų34.938%0.3818%0.183SC..EExtended strand (participates in β ladder)trans-87.8118.5159.8-165.7-38.8000108.1E304D302-E304 PolarHBondContact OD1-N 3.14Å
303L94.6Very high92.8Very high0 Ų038.9 Ų38.90%020%0.201CC..  trans-90-8.4-165.8-58175.2000113.1F19 V38 L301 N305 I306 L307 F337 Q339F19-L303 HydrophobicContact CE2-CD2 3.84Å; F19-L303 HydrophobicContact CZ-CD2 3.71Å; V38-L303 HydrophobicContact CB-CD1 4.36Å; V38-L303 HydrophobicContact CG1-CD1 4.12Å; V38-L303 HydrophobicContact CG2-CD1 3.36Å; V38-L303 HydrophobicContact CG2-CD2 4.1Å; V38-L303 HydrophobicContact CG2-CG 4.35Å; L301-L303 HydrophobicContact CB-CD2 3.83Å; L303-N305 PolarHBondContact O-N 2.83Å; L303-I306 HydrophobicContact CD2-CD1 4.06Å; L303-I306 PolarHBondContact O-N 3.05Å; L303-L307 HydrophobicContact CB-CD1 3.86Å; L303-L307 HydrophobicContact CB-CG 4.23Å; L303-L307 VanDerWaalsContact O-CB 3.29Å; L303-L307 WeakPolarHBondContact O-CB 3.45Å; L303-L307 VanDerWaalsContact O-CG 3.29Å; L303-L307 WeakPolarHBondContact O-CG 3.36Å; L303-L307 PolarHBondContact O-N 3.4Å; L303-F337 HydrophobicContact CB-CB 4.22Å; L303-F337 HydrophobicContact CB-CD1 4.41Å; L303-F337 HydrophobicContact CB-CG 4.21Å; L303-F337 VanDerWaalsContact CB-O 3.29Å; L303-F337 WeakPolarHBondContact CB-O 3.31Å; L303-F337 HydrophobicContact CD1-CB 4.48Å; L303-F337 HydrophobicContact CD1-CD1 4.05Å; L303-F337 HydrophobicContact CD1-CD2 3.54Å; L303-F337 HydrophobicContact CD1-CE1 4.14Å; L303-F337 HydrophobicContact CD1-CE2 3.61Å; L303-F337 HydrophobicContact CD1-CG 3.74Å; L303-F337 HydrophobicContact CD1-CZ 3.9Å; L303-F337 WeakPolarHBondContact CG-O 3.23Å; L303-F337 PolarHBondContact N-O 3.41Å; L303-Q339 HydrophobicContact CD1-CB 3.91Å; L303-Q339 HydrophobicContact CD2-CB 4.39Å; L303-Q339 HydrophobicContact CG-CB 4.43Å
304E94.7Very high92.8Very high54 Ų5439.6 Ų39.625%0.25221%0.205SC..Hα-helixtrans-54.4-53.1-176.8176.5179.8172.800111.5D302 L307 K308 F316D302-E304 PolarHBondContact OD1-N 3.14Å; E304-L307 PolarHBondContact O-N 3.49Å; E304-K308 HydrophobicContact CG-CD 4.05Å; E304-K308 WeakPolarHBondContact O-CB 3.31Å; E304-K308 VanDerWaalsContact O-CG 3.25Å; E304-K308 WeakPolarHBondContact O-CG 3.48Å; E304-K308 PolarHBondContact O-N 3.15Å; E304-K308 WeakPolarHBondContact OE1-CE 3.32Å; E304-K308 IonicContact OE1-NZ 3.89Å; E304-K308 PolarHBondContact OE1-NZ 2.86Å; E304-F316 HydrophobicContact CB-CD1 4Å; E304-F316 HydrophobicContact CB-CE1 4.1Å; E304-F316 HydrophobicContact CB-CG 4.29Å; E304-F316 HydrophobicContact CB-CZ 4.48Å; E304-F316 HydrophobicContact CG-CB 3.93Å; E304-F316 HydrophobicContact CG-CD1 3.85Å; E304-F316 HydrophobicContact CG-CD2 4.13Å; E304-F316 HydrophobicContact CG-CE1 4.41Å; E304-F316 HydrophobicContact CG-CG 3.7Å
305N94Very high92.9Very high86 Ų8636.8 Ų36.846%0.4619%0.193SC..Hα-helixtrans-69.7-37.4-178.3-71.5-42.2000112.4M26 L303 L307 K308 L309M26-N305 HydrophobicContact CE-CB 3.54Å; M26-N305 HydrophobicContact SD-CB 3.93Å; L303-N305 PolarHBondContact O-N 2.83Å; N305-L307 VanDerWaalsContact C-N 3.35Å; N305-K308 PolarHBondContact O-N 3.46Å; N305-L309 WeakPolarHBondContact O-CG 3.37Å; N305-L309 PolarHBondContact O-N 2.94Å
306I93.5Very high93.1Very high4 Ų437 Ų372%0.02119%0.194CC..Hα-helixtrans-63-44.7178.2-66.6163.1000109.9F19 H22 M26 L301 L303 L309 H310F19-I306 HydrophobicContact CD2-CG2 3.74Å; F19-I306 HydrophobicContact CE2-CG2 3.71Å; H22-I306 HydrophobicContact CB-CG2 4.01Å; M26-I306 HydrophobicContact SD-CG1 3.8Å; L301-I306 HydrophobicContact CB-CD1 4.28Å; L301-I306 HydrophobicContact CD1-CD1 4.18Å; L301-I306 HydrophobicContact CD2-CD1 4.49Å; L303-I306 HydrophobicContact CD2-CD1 4.06Å; L303-I306 PolarHBondContact O-N 3.05Å; I306-L309 PolarHBondContact O-N 3.46Å; I306-H310 PolarHBondContact O-N 3.43Å; I306-H310 VanDerWaalsContact O-N 3.14Å
307L95.6Very high93.3Very high0 Ų036.3 Ų36.30%019%0.193CC..Hα-helixtrans-74.5-34.2-179.7-68.4172.9000112.6F15 V38 L42 L303 E304 N305 L309 H310 G311 I312 F316 F337F15-L307 HydrophobicContact CE2-CD2 4.39Å; F15-L307 HydrophobicContact CZ-CD2 4.38Å; V38-L307 HydrophobicContact CG1-CD1 4.03Å; V38-L307 HydrophobicContact CG1-CD2 3.82Å; V38-L307 HydrophobicContact CG1-CG 4.39Å; L42-L307 HydrophobicContact CD1-CD2 4.09Å; L303-L307 HydrophobicContact CB-CD1 3.86Å; L303-L307 HydrophobicContact CB-CG 4.23Å; L303-L307 VanDerWaalsContact O-CB 3.29Å; L303-L307 WeakPolarHBondContact O-CB 3.45Å; L303-L307 VanDerWaalsContact O-CG 3.29Å; L303-L307 WeakPolarHBondContact O-CG 3.36Å; L303-L307 PolarHBondContact O-N 3.4Å; E304-L307 PolarHBondContact O-N 3.49Å; N305-L307 VanDerWaalsContact C-N 3.35Å; L307-L309 VanDerWaalsContact C-N 3.35Å; L307-H310 CarbonylContact O-C 3.57Å; L307-H310 WeakPolarHBondContact O-CA 3.13Å; L307-H310 PolarHBondContact O-N 2.97Å; L307-G311 PolarHBondContact O-N 3.09Å; L307-G311 VanDerWaalsContact O-N 3.07Å; L307-I312 CarbonylContact C-O 3.57Å; L307-I312 HydrophobicContact CB-CB 4.28Å; L307-I312 HydrophobicContact CD2-CD1 4.12Å; L307-I312 PolarHBondContact O-N 3.42Å; L307-F316 HydrophobicContact CB-CE2 3.86Å; L307-F316 HydrophobicContact CB-CZ 4.29Å; L307-F316 HydrophobicContact CD1-CE2 4.14Å; L307-F316 HydrophobicContact CD1-CZ 3.78Å; L307-F337 HydrophobicContact CD1-CD1 3.56Å; L307-F337 HydrophobicContact CD1-CE1 3.88Å
308K95.4Very high93.5Very high57 Ų5738.9 Ų38.925%0.24821%0.21CC..Hα-helixtrans-60-43.3168.7-79.3176.4176177.10111.9E304 N305 H310 G311 I312 H313 F316E304-K308 HydrophobicContact CG-CD 4.05Å; E304-K308 WeakPolarHBondContact O-CB 3.31Å; E304-K308 VanDerWaalsContact O-CG 3.25Å; E304-K308 WeakPolarHBondContact O-CG 3.48Å; E304-K308 PolarHBondContact O-N 3.15Å; E304-K308 WeakPolarHBondContact OE1-CE 3.32Å; E304-K308 IonicContact OE1-NZ 3.89Å; E304-K308 PolarHBondContact OE1-NZ 2.86Å; N305-K308 PolarHBondContact O-N 3.46Å; K308-H310 PolarHBondContact O-N 2.95Å; K308-G311 PolarHBondContact O-N 3.31Å; K308-I312 WeakPolarHBondContact CA-O 3.5Å; K308-I312 WeakPolarHBondContact CG-O 3.3Å; K308-I312 PolarHBondContact N-O 3.2Å; K308-H313 PolarHBondContact O-CE1 2.98Å; K308-H313 PolarHBondContact O-NE2 2.83Å; K308-F316 HydrophobicContact CG-CD2 4.48Å
309L92.2Very high93.8Very high101 Ų10141.5 Ų41.553%0.52923%0.225SC..Hα-helixtrans-64.4-25.9174.3-72.2170.3000112.4H22 M26 N305 I306 L307 G311H22-L309 HydrophobicContact CB-CD1 4.42Å; M26-L309 HydrophobicContact SD-CD1 4.27Å; N305-L309 WeakPolarHBondContact O-CG 3.37Å; N305-L309 PolarHBondContact O-N 2.94Å; I306-L309 PolarHBondContact O-N 3.46Å; L307-L309 VanDerWaalsContact C-N 3.35Å; L309-G311 VanDerWaalsContact C-N 3.33Å
310H89.6Confident94.1Very high19 Ų1946.5 Ų46.59%0.08825%0.245CC..THydrogen-bonded Turntrans-860.4173.3-154.88.8000114.4Y14 F15 S18 I306 L307 K308Y14-H310 AromaticContact CE1-CE1 3.75Å; F15-H310 AromaticContact CD2-CD2 3.46Å; F15-H310 VanDerWaalsContact CD2-CD2 3.46Å; F15-H310 WeakPolarHBondContact CD2-CD2 3.43Å; F15-H310 AromaticContact CD2-NE2 3.33Å; F15-H310 VanDerWaalsContact CD2-NE2 3.33Å; F15-H310 WeakPolarHBondContact CD2-NE2 3.3Å; F15-H310 AromaticContact CE2-CD2 3.6Å; F15-H310 AromaticContact CE2-NE2 4Å; F15-H310 AromaticContact CG-NE2 3.99Å; S18-H310 WeakPolarHBondContact CB-CE1 3.36Å; S18-H310 PolarHBondContact OG-CE1 3.36Å; S18-H310 PolarHBondContact OG-ND1 3.11Å; I306-H310 PolarHBondContact O-N 3.43Å; I306-H310 VanDerWaalsContact O-N 3.14Å; L307-H310 CarbonylContact O-C 3.57Å; L307-H310 WeakPolarHBondContact O-CA 3.13Å; L307-H310 PolarHBondContact O-N 2.97Å; K308-H310 PolarHBondContact O-N 2.95Å
311G93.3Very high94.6Very high29 Ų2944.1 Ų44.130%0.29923%0.232SC..THydrogen-bonded Turntrans100.35.9174.700000115.8E58 L307 K308 L309 H313E58-G311 WeakPolarHBondContact CG-O 3.32Å; L307-G311 PolarHBondContact O-N 3.09Å; L307-G311 VanDerWaalsContact O-N 3.07Å; K308-G311 PolarHBondContact O-N 3.31Å; L309-G311 VanDerWaalsContact C-N 3.33Å; G311-H313 PolarHBondContact O-CD2 2.93Å
312I95.8Very high94.8Very high0 Ų044.8 Ų44.80%024%0.236CC..  trans-97.396.7175.4-53.7174.7000108.9L42 I59 A62 L307 K308 L315 F316L42-I312 HydrophobicContact CD1-CD1 3.71Å; L42-I312 HydrophobicContact CD2-CD1 4.13Å; I59-I312 HydrophobicContact CG1-CD1 4.23Å; I59-I312 HydrophobicContact CG1-CG1 4.5Å; I59-I312 HydrophobicContact CG1-CG2 4.01Å; A62-I312 HydrophobicContact CB-CD1 3.67Å; A62-I312 HydrophobicContact CB-CG1 3.74Å; L307-I312 CarbonylContact C-O 3.57Å; L307-I312 HydrophobicContact CB-CB 4.28Å; L307-I312 HydrophobicContact CD2-CD1 4.12Å; L307-I312 PolarHBondContact O-N 3.42Å; K308-I312 WeakPolarHBondContact CA-O 3.5Å; K308-I312 WeakPolarHBondContact CG-O 3.3Å; K308-I312 PolarHBondContact N-O 3.2Å; I312-L315 HydrophobicContact CG2-CB 3.64Å; I312-L315 HydrophobicContact CG2-CD2 3.96Å; I312-L315 HydrophobicContact CG2-CG 4.46Å; I312-F316 HydrophobicContact CG2-CE2 4.37Å
313H97.1Very high95.1Very high85 Ų8541.5 Ų41.539%0.39422%0.218SC..  trans-105.8-49.9-175.5-60.1-76.4000112.1E58 K308 G311 L315 F316E58-H313 PolarHBondContact OE2-N 3.3Å; K308-H313 PolarHBondContact O-CE1 2.98Å; K308-H313 PolarHBondContact O-NE2 2.83Å; G311-H313 PolarHBondContact O-CD2 2.93Å; H313-L315 VanDerWaalsContact C-N 3.25Å; H313-L315 PolarHBondContact O-N 2.76Å; H313-F316 PolarHBondContact O-N 3.43Å
314D97.4Very high95.1Very high14 Ų1444.7 Ų44.78%0.07524%0.24CC..G310 helixtrans-64.7-32.6-169.7-77-1.3000111.6N54 T55 E58 F316 D317 K320 A321N54-D314 WeakPolarHBondContact CB-OD2 3.49Å; N54-D314 PolarHBondContact ND2-OD2 3.3Å; T55-D314 HydrophobicContact CG2-CB 4.44Å; E58-D314 PolarHBondContact OE2-N 3.36Å; D314-F316 PolarHBondContact O-N 2.82Å; D314-D317 PolarHBondContact O-N 3.29Å; D314-K320 HydrophobicContact CB-CB 4.07Å; D314-K320 WeakPolarHBondContact OD1-CB 3.44Å; D314-K320 WeakPolarHBondContact OD1-CD 3.28Å; D314-A321 WeakPolarHBondContact O-CA 3.37Å; D314-A321 WeakPolarHBondContact O-CB 3.5Å; D314-A321 PolarHBondContact O-N 2.84Å
315L97.5Very high95.2Very high1 Ų142.2 Ų42.21%0.00523%0.23CC..G310 helixtrans-53.1-29.8179.4-174.961.3000113.4L42 T55 I59 I312 H313 L323 V334L42-L315 HydrophobicContact CD2-CD2 4.29Å; T55-L315 HydrophobicContact CG2-CB 4.12Å; T55-L315 HydrophobicContact CG2-CD1 4.13Å; I59-L315 HydrophobicContact CD1-CD1 4.25Å; I59-L315 HydrophobicContact CD1-CD2 4.2Å; I312-L315 HydrophobicContact CG2-CB 3.64Å; I312-L315 HydrophobicContact CG2-CD2 3.96Å; I312-L315 HydrophobicContact CG2-CG 4.46Å; H313-L315 VanDerWaalsContact C-N 3.25Å; H313-L315 PolarHBondContact O-N 2.76Å; L315-L323 HydrophobicContact CD1-CD2 3.9Å; L315-V334 HydrophobicContact CD1-CB 4.39Å; L315-V334 HydrophobicContact CD1-CG2 3.54Å; L315-V334 HydrophobicContact CD2-CG2 4.3Å; L315-V334 HydrophobicContact CG-CB 4.13Å; L315-V334 HydrophobicContact CG-CG2 3.74Å; L315-V334 PolarHBondContact O-N 2.85Å
316F97.3Very high95.3Very high8 Ų838.2 Ų38.24%0.03521%0.208CC..G310 helixtrans-1062.2-177.5-57-78000113.1E304 L307 K308 I312 H313 D314 H333 V334 F337E304-F316 HydrophobicContact CB-CD1 4Å; E304-F316 HydrophobicContact CB-CE1 4.1Å; E304-F316 HydrophobicContact CB-CG 4.29Å; E304-F316 HydrophobicContact CB-CZ 4.48Å; E304-F316 HydrophobicContact CG-CB 3.93Å; E304-F316 HydrophobicContact CG-CD1 3.85Å; E304-F316 HydrophobicContact CG-CD2 4.13Å; E304-F316 HydrophobicContact CG-CE1 4.41Å; E304-F316 HydrophobicContact CG-CG 3.7Å; L307-F316 HydrophobicContact CB-CE2 3.86Å; L307-F316 HydrophobicContact CB-CZ 4.29Å; L307-F316 HydrophobicContact CD1-CE2 4.14Å; L307-F316 HydrophobicContact CD1-CZ 3.78Å; K308-F316 HydrophobicContact CG-CD2 4.48Å; I312-F316 HydrophobicContact CG2-CE2 4.37Å; H313-F316 PolarHBondContact O-N 3.43Å; D314-F316 PolarHBondContact O-N 2.82Å; F316-H333 PolarHBondContact O-CD2 3.2Å; F316-V334 HydrophobicContact CD1-CB 4.19Å; F316-V334 HydrophobicContact CD1-CG1 4.2Å; F316-V334 WeakPolarHBondContact CD1-O 3.45Å; F316-V334 HydrophobicContact CE1-CB 4.19Å; F316-V334 HydrophobicContact CE1-CG1 3.83Å; F316-F337 HydrophobicContact CE1-CB 3.96Å; F316-F337 HydrophobicContact CZ-CB 4.24Å; F316-F337 HydrophobicContact CZ-CD1 4.47Å
317D96.3Very high95.4Very high45 Ų4538.1 Ų38.124%0.24121%0.208CC..  trans-102.5118.1-177.8-173.6-46.6000110.1D314 I319 K320 A321D314-D317 PolarHBondContact O-N 3.29Å; D317-I319 PolarHBondContact O-N 3.27Å; D317-I319 VanDerWaalsContact O-N 3.1Å; D317-I319 WeakPolarHBondContact OD1-CA 3.48Å; D317-I319 WeakPolarHBondContact OD1-CB 3.38Å; D317-I319 PolarHBondContact OD1-N 2.97Å; D317-K320 HydrophobicContact CB-CB 4.04Å; D317-K320 HydrophobicContact CB-CD 4.4Å; D317-K320 HydrophobicContact CB-CG 4.31Å; D317-K320 PolarHBondContact O-N 3.1Å; D317-K320 PolarHBondContact OD1-N 2.9Å; D317-A321 WeakPolarHBondContact O-CB 3.02Å; D317-A321 PolarHBondContact O-N 2.86Å
318P92.6Very high95.3Very high59 Ų5943 Ų4338%0.38324%0.242SC..THydrogen-bonded Turntrans-62.2-19.9-177.223.6-33.5000114.5N331P318-N331 VanDerWaalsContact O-CA 3.31Å; P318-N331 WeakPolarHBondContact O-CA 3.37Å
319I94.1Very high95.1Very high147 Ų14744.1 Ų44.175%0.75425%0.248SC*.THydrogen-bonded Turntrans-95.7-33-178.3-58.8174.1000110.7D317D317-I319 PolarHBondContact O-N 3.27Å; D317-I319 VanDerWaalsContact O-N 3.1Å; D317-I319 WeakPolarHBondContact OD1-CA 3.48Å; D317-I319 WeakPolarHBondContact OD1-CB 3.38Å; D317-I319 PolarHBondContact OD1-N 2.97Å
320K96Very high94.8Very high119 Ų11944 Ų4452%0.51726%0.256SS..THydrogen-bonded Turntrans-100.8-26.7-172.6-55.6-179.8-173.61720114.6D314 D317 D322D314-K320 HydrophobicContact CB-CB 4.07Å; D314-K320 WeakPolarHBondContact OD1-CB 3.44Å; D314-K320 WeakPolarHBondContact OD1-CD 3.28Å; D317-K320 HydrophobicContact CB-CB 4.04Å; D317-K320 HydrophobicContact CB-CD 4.4Å; D317-K320 HydrophobicContact CB-CG 4.31Å; D317-K320 PolarHBondContact O-N 3.1Å; D317-K320 PolarHBondContact OD1-N 2.9Å; K320-D322 PolarHBondContact O-N 3.18Å
321A96.9Very high94.7Very high17 Ų1748.6 Ų48.614%0.1428%0.281CS..  trans-53.6121.7178.400000110.7D314 D317 L323 I332 H333D314-A321 WeakPolarHBondContact O-CA 3.37Å; D314-A321 WeakPolarHBondContact O-CB 3.5Å; D314-A321 PolarHBondContact O-N 2.84Å; D317-A321 WeakPolarHBondContact O-CB 3.02Å; D317-A321 PolarHBondContact O-N 2.86Å; A321-L323 HydrophobicContact CB-CG 4.47Å; A321-I332 VanDerWaalsContact CB-O 3.23Å; A321-I332 WeakPolarHBondContact CB-O 3.44Å; A321-H333 HydrophobicContact CB-CB 3.76Å
322D96Very high94.7Very high24 Ų2447.4 Ų47.413%0.12827%0.268CS..  trans-107.491.7168.7-164.8-25.6000108.9P51 R52 K53 T55 K320 S324P51-D322 CarbonylContact C-O 3.51Å; P51-D322 WeakPolarHBondContact CA-O 3.25Å; R52-D322 HydrophobicContact CB-CB 4.35Å; R52-D322 PolarHBondContact N-O 3.23Å; K53-D322 VanDerWaalsContact CD-OD2 3.28Å; K53-D322 WeakPolarHBondContact CD-OD2 3.46Å; K53-D322 WeakPolarHBondContact CE-OD2 3.45Å; K53-D322 WeakPolarHBondContact CG-OD2 3.42Å; K53-D322 IonicContact NZ-OD2 3.98Å; K53-D322 PolarHBondContact NZ-OD2 3.23Å; T55-D322 PolarHBondContact OG1-N 3.06Å; K320-D322 PolarHBondContact O-N 3.18Å; D322-S324 WeakPolarHBondContact OD1-CB 3.43Å; D322-S324 PolarHBondContact OD1-N 2.82Å; D322-S324 PolarHBondContact OD1-OG 2.84Å
323L96.8Very high94.7Very high2 Ų249.4 Ų49.41%0.0128%0.277CS..  trans-106.330.5174.9-57.1175.3000111.1G50 P51 L183 L315 A321 G325 I326 T327 I332G50-L323 CarbonylContact O-C 3.58Å; P51-L323 HydrophobicContact CB-CD2 4.31Å; P51-L323 HydrophobicContact CG-CD2 4.15Å; L183-L323 HydrophobicContact CD2-CD1 3.85Å; L315-L323 HydrophobicContact CD1-CD2 3.9Å; A321-L323 HydrophobicContact CB-CG 4.47Å; L323-G325 PolarHBondContact O-N 2.85Å; L323-G325 VanDerWaalsContact O-N 3.13Å; L323-I326 HydrophobicContact CB-CD1 4.25Å; L323-I326 HydrophobicContact CB-CG1 4.42Å; L323-I326 HydrophobicContact CD2-CD1 4.16Å; L323-I326 WeakPolarHBondContact O-CB 3.24Å; L323-I326 PolarHBondContact O-N 3.37Å; L323-T327 PolarHBondContact O-N 2.9Å; L323-I332 HydrophobicContact CB-CG2 4.03Å; L323-I332 HydrophobicContact CD1-CG1 4.32Å; L323-I332 HydrophobicContact CD1-CG2 4.45Å
324S95.7Very high94.7Very high67 Ų6745.4 Ų45.447%0.46926%0.259SS..THydrogen-bonded Turntrans-62-19.6-177.955.30000113.8R52 D322 I326 T327R52-S324 WeakPolarHBondContact CG-OG 3.25Å; D322-S324 WeakPolarHBondContact OD1-CB 3.43Å; D322-S324 PolarHBondContact OD1-N 2.82Å; D322-S324 PolarHBondContact OD1-OG 2.84Å; S324-I326 VanDerWaalsContact C-N 3.33Å; S324-T327 WeakPolarHBondContact CA-O 3.38Å
325G95.6Very high94.6Very high3 Ų345.9 Ų45.93%0.03126%0.262CS..THydrogen-bonded Turntrans-69.5-29.6170.300000113.5G49 G50 N125 F128 L323G49-G325 WeakPolarHBondContact O-CA 3.42Å; G50-G325 WeakPolarHBondContact O-CA 3.39Å; G50-G325 PolarHBondContact O-N 2.87Å; G50-G325 VanDerWaalsContact O-N 3.13Å; N125-G325 VanDerWaalsContact CB-O 3.26Å; N125-G325 WeakPolarHBondContact CB-O 3.43Å; N125-G325 PolarHBondContact ND2-O 3.26Å; F128-G325 WeakPolarHBondContact CB-O 3.3Å; L323-G325 PolarHBondContact O-N 2.85Å; L323-G325 VanDerWaalsContact O-N 3.13Å
326I97Very high94.4Very high1 Ų146.3 Ų46.31%0.00527%0.265CS..THydrogen-bonded Turntrans-83.2-44.7178.4-54.7-176.9000110.6L45 G50 I124 N125 F128 L183 L323 S324L45-I326 HydrophobicContact CD2-CD1 4.27Å; G50-I326 VanDerWaalsContact CA-CG1 3.47Å; I124-I326 CarbonylContact C-O 3.54Å; I124-I326 WeakPolarHBondContact CA-O 3.46Å; I124-I326 HydrophobicContact CD1-CG2 4.1Å; I124-I326 HydrophobicContact CG2-CG2 4.39Å; N125-I326 PolarHBondContact N-O 3.38Å; F128-I326 HydrophobicContact CD1-CG1 4.48Å; F128-I326 HydrophobicContact CD1-CG2 4.35Å; F128-I326 HydrophobicContact CD2-CG1 4.08Å; F128-I326 HydrophobicContact CE1-CG1 4.33Å; F128-I326 HydrophobicContact CE1-CG2 4.32Å; F128-I326 HydrophobicContact CE2-CD1 4.37Å; F128-I326 HydrophobicContact CE2-CG1 3.92Å; F128-I326 HydrophobicContact CG-CG1 4.38Å; F128-I326 HydrophobicContact CZ-CD1 4.22Å; F128-I326 HydrophobicContact CZ-CG1 4.05Å; L183-I326 HydrophobicContact CD2-CD1 3.96Å; L323-I326 HydrophobicContact CB-CD1 4.25Å; L323-I326 HydrophobicContact CB-CG1 4.42Å; L323-I326 HydrophobicContact CD2-CD1 4.16Å; L323-I326 WeakPolarHBondContact O-CB 3.24Å; L323-I326 PolarHBondContact O-N 3.37Å; S324-I326 VanDerWaalsContact C-N 3.33Å
327T96Very high94.3Very high2 Ų245.9 Ų45.91%0.01226%0.263CS..BIsolated β-bridgetrans-156.1153.7-176.9-174.70000111.9L122 Q123 L323 S324 H329 I332L122-T327 HydrophobicContact CD2-CG2 4.49Å; Q123-T327 WeakPolarHBondContact O-CB 3.38Å; Q123-T327 PolarHBondContact O-OG1 3.34Å; L323-T327 PolarHBondContact O-N 2.9Å; S324-T327 WeakPolarHBondContact CA-O 3.38Å; T327-H329 HydrophobicContact CG2-CB 3.88Å; T327-H329 PolarHBondContact O-N 2.87Å; T327-H329 PolarHBondContact OG1-N 3.41Å; T327-H329 PolarHBondContact OG1-ND1 3.45Å; T327-I332 HydrophobicContact CG2-CD1 3.58Å; T327-I332 HydrophobicContact CG2-CG2 3.93Å
328S93.3Very high94.2Very high104 Ų10445.9 Ų45.973%0.72726%0.26SS*.SBendtrans-77.7-5172.257.10000113.7S330S328-S330 PolarHBondContact O-N 3.27Å
329H90.6Very high94.2Very high80 Ų8043 Ų4337%0.3724%0.242SC..  trans-63131.8175.9-76.579000111.1L122 T327 I332L122-H329 HydrophobicContact CD2-CB 3.85Å; T327-H329 HydrophobicContact CG2-CB 3.88Å; T327-H329 PolarHBondContact O-N 2.87Å; T327-H329 PolarHBondContact OG1-N 3.41Å; T327-H329 PolarHBondContact OG1-ND1 3.45Å; H329-I332 WeakPolarHBondContact O-CG2 3.44Å
330S86.4Confident93.9Very high99 Ų9936.8 Ų36.869%0.69221%0.209SC*.THydrogen-bonded Turntrans-80.1156.5173.562.40000111.8S328 I332S328-S330 PolarHBondContact O-N 3.27Å; S330-I332 VanDerWaalsContact C-N 3.27Å; S330-I332 PolarHBondContact O-N 2.93Å
331N87.1Confident93.6Very high115 Ų11531.1 Ų31.162%0.61518%0.184SC*.THydrogen-bonded Turntrans60.129.9177.9-50.9-36.2000115P318P318-N331 VanDerWaalsContact O-CA 3.31Å; P318-N331 WeakPolarHBondContact O-CA 3.37Å
332I93.3Very high93Very high4 Ų430.6 Ų30.62%0.02118%0.179CC..  trans-89.5137.9171.7-173.9171.5000110.1L122 L182 L183 A321 L323 T327 H329 S330L122-I332 HydrophobicContact CD1-CD1 3.53Å; L122-I332 HydrophobicContact CD2-CD1 4.28Å; L182-I332 HydrophobicContact CB-CD1 4.42Å; L182-I332 HydrophobicContact CB-CG1 4.23Å; L183-I332 HydrophobicContact CB-CD1 4.38Å; A321-I332 VanDerWaalsContact CB-O 3.23Å; A321-I332 WeakPolarHBondContact CB-O 3.44Å; L323-I332 HydrophobicContact CB-CG2 4.03Å; L323-I332 HydrophobicContact CD1-CG1 4.32Å; L323-I332 HydrophobicContact CD1-CG2 4.45Å; T327-I332 HydrophobicContact CG2-CD1 3.58Å; T327-I332 HydrophobicContact CG2-CG2 3.93Å; H329-I332 WeakPolarHBondContact O-CG2 3.44Å; S330-I332 VanDerWaalsContact C-N 3.27Å; S330-I332 PolarHBondContact O-N 2.93Å
333H96.3Very high92.6Very high41 Ų4129.5 Ų29.519%0.1917%0.173CC..  trans-145166.217461.6-69000108F316 A321 T335F316-H333 PolarHBondContact O-CD2 3.2Å; A321-H333 HydrophobicContact CB-CB 3.76Å; H333-T335 PolarHBondContact O-N 3.17Å
334V97Very high92.1Very high2 Ų234 Ų341%0.01219%0.19CC..  trans-70.4111.9168.5174.40000107.8L183 L185 L315 F316 S336 F337L183-V334 HydrophobicContact CD2-CG2 3.95Å; L183-V334 HydrophobicContact CG-CG2 4.45Å; L185-V334 HydrophobicContact CD1-CB 4.44Å; L185-V334 HydrophobicContact CD1-CG1 3.78Å; L185-V334 HydrophobicContact CD1-CG2 3.76Å; L185-V334 HydrophobicContact CG-CG1 3.88Å; L185-V334 HydrophobicContact CG-CG2 4.19Å; L315-V334 HydrophobicContact CD1-CB 4.39Å; L315-V334 HydrophobicContact CD1-CG2 3.54Å; L315-V334 HydrophobicContact CD2-CG2 4.3Å; L315-V334 HydrophobicContact CG-CB 4.13Å; L315-V334 HydrophobicContact CG-CG2 3.74Å; L315-V334 PolarHBondContact O-N 2.85Å; F316-V334 HydrophobicContact CD1-CB 4.19Å; F316-V334 HydrophobicContact CD1-CG1 4.2Å; F316-V334 WeakPolarHBondContact CD1-O 3.45Å; F316-V334 HydrophobicContact CE1-CB 4.19Å; F316-V334 HydrophobicContact CE1-CG1 3.83Å; V334-S336 WeakPolarHBondContact CG1-O 3.39Å; V334-F337 HydrophobicContact CG1-CB 4.13Å
335T95.3Very high91.9Very high23 Ų2330.9 Ų30.914%0.14117%0.168CC..  trans-74.5-33.7-179-54.70000111.8L178 S181 L183 N184 H333L178-T335 HydrophobicContact CD1-CG2 3.86Å; S181-T335 VanDerWaalsContact OG-CG2 3.31Å; S181-T335 WeakPolarHBondContact OG-CG2 3.47Å; L183-T335 PolarHBondContact O-N 2.69Å; N184-T335 WeakPolarHBondContact OD1-CB 3.31Å; H333-T335 PolarHBondContact O-N 3.17Å
336S93.3Very high91.6Very high10 Ų1030.9 Ų30.97%0.0717%0.167CC..EExtended strand (participates in β ladder)trans-152.1134.5178.5173.10000109.2N184 L185 V334 R338N184-S336 CarbonylContact C-O 3.48Å; N184-S336 WeakPolarHBondContact CA-O 3.41Å; N184-S336 WeakPolarHBondContact OD1-CB 3.36Å; N184-S336 PolarHBondContact OD1-N 2.7Å; L185-S336 PolarHBondContact N-O 2.58Å; V334-S336 WeakPolarHBondContact CG1-O 3.39Å; S336-R338 WeakPolarHBondContact OG-CG 3.49Å; S336-R338 PolarHBondContact OG-NE 3.13Å
337F95.7Very high90.9Very high0 Ų031.2 Ų31.20%017%0.169CC..EExtended strand (participates in β ladder)trans-124.2111.8166.1-170.4178.4000108.2V38 M41 L42 L185 L303 L307 F316 V334V38-F337 HydrophobicContact CB-CZ 4.31Å; V38-F337 HydrophobicContact CG1-CE1 3.69Å; V38-F337 HydrophobicContact CG1-CZ 3.8Å; M41-F337 HydrophobicContact CB-CE2 4.4Å; M41-F337 HydrophobicContact CB-CZ 3.73Å; M41-F337 HydrophobicContact CG-CE1 4.2Å; M41-F337 HydrophobicContact CG-CE2 4.06Å; M41-F337 HydrophobicContact CG-CZ 3.58Å; L42-F337 HydrophobicContact CD2-CE1 4.29Å; L42-F337 HydrophobicContact CG-CE1 4.49Å; L185-F337 HydrophobicContact CB-CB 4.09Å; L185-F337 HydrophobicContact CB-CD1 4.33Å; L185-F337 HydrophobicContact CB-CD2 3.41Å; L185-F337 VanDerWaalsContact CB-CD2 3.41Å; L185-F337 HydrophobicContact CB-CE2 3.89Å; L185-F337 HydrophobicContact CB-CG 3.69Å; L185-F337 HydrophobicContact CD1-CB 4.35Å; L185-F337 HydrophobicContact CD1-CD1 3.79Å; L185-F337 HydrophobicContact CD1-CD2 4.35Å; L185-F337 HydrophobicContact CD1-CE1 4.13Å; L185-F337 HydrophobicContact CD1-CG 3.93Å; L185-F337 HydrophobicContact CG-CG 4.43Å; L185-F337 WeakPolarHBondContact O-CA 3.5Å; L185-F337 WeakPolarHBondContact O-CD2 3.18Å; L303-F337 HydrophobicContact CB-CB 4.22Å; L303-F337 HydrophobicContact CB-CD1 4.41Å; L303-F337 HydrophobicContact CB-CG 4.21Å; L303-F337 VanDerWaalsContact CB-O 3.29Å; L303-F337 WeakPolarHBondContact CB-O 3.31Å; L303-F337 HydrophobicContact CD1-CB 4.48Å; L303-F337 HydrophobicContact CD1-CD1 4.05Å; L303-F337 HydrophobicContact CD1-CD2 3.54Å; L303-F337 HydrophobicContact CD1-CE1 4.14Å; L303-F337 HydrophobicContact CD1-CE2 3.61Å; L303-F337 HydrophobicContact CD1-CG 3.74Å; L303-F337 HydrophobicContact CD1-CZ 3.9Å; L303-F337 WeakPolarHBondContact CG-O 3.23Å; L303-F337 PolarHBondContact N-O 3.41Å; L307-F337 HydrophobicContact CD1-CD1 3.56Å; L307-F337 HydrophobicContact CD1-CE1 3.88Å; F316-F337 HydrophobicContact CE1-CB 3.96Å; F316-F337 HydrophobicContact CZ-CB 4.24Å; F316-F337 HydrophobicContact CZ-CD1 4.47Å; V334-F337 HydrophobicContact CG1-CB 4.13Å
338R93.2Very high90Very high44 Ų4431.4 Ų31.417%0.16617%0.17CC..EExtended strand (participates in β ladder)trans-120.2142.8-179.1-66.6-178.5-168.6-17912.7111.9F170 E176 L185 F186 S187 L301 S336F170-R338 HydrophobicContact CE1-CB 4Å; F170-R338 HydrophobicContact CZ-CB 3.62Å; E176-R338 PolarHBondContact O-NH1 3.2Å; E176-R338 PolarHBondContact O-NH2 2.89Å; E176-R338 IonicContact OE2-NH1 3.85Å; L185-R338 PolarHBondContact O-N 3.19Å; F186-R338 VanDerWaalsContact CA-O 3.31Å; F186-R338 WeakPolarHBondContact CA-O 3.36Å; F186-R338 HydrophobicContact CD1-CB 4.23Å; F186-R338 HydrophobicContact CE1-CB 4.49Å; S187-R338 PolarHBondContact N-O 3.13Å; S187-R338 VanDerWaalsContact N-O 3.07Å; L301-R338 VanDerWaalsContact O-CA 3.25Å; L301-R338 WeakPolarHBondContact O-CA 3.16Å; S336-R338 WeakPolarHBondContact OG-CG 3.49Å; S336-R338 PolarHBondContact OG-NE 3.13Å
339Q92.3Very high89.1Confident0 Ų026.5 Ų26.50%014%0.136CC..EExtended strand (participates in β ladder)trans-123.4140171174.2168.8-36.600110.2S34 S187 T300 L301 L303 D341S34-Q339 PolarHBondContact O-NE2 2.97Å; S187-Q339 WeakPolarHBondContact O-CA 3.37Å; T300-Q339 CarbonylContact C-O 3.42Å; T300-Q339 VanDerWaalsContact CA-O 3.31Å; T300-Q339 WeakPolarHBondContact CA-O 3.5Å; L301-Q339 PolarHBondContact N-O 3.49Å; L301-Q339 PolarHBondContact O-N 3.43Å; L303-Q339 HydrophobicContact CD1-CB 3.91Å; L303-Q339 HydrophobicContact CD2-CB 4.39Å; L303-Q339 HydrophobicContact CG-CB 4.43Å; Q339-D341 PolarHBondContact NE2-OD1 3.19Å; Q339-D341 PolarHBondContact NE2-OD2 3.41Å
340K89Confident87.7Confident16 Ų1622.7 Ų22.77%0.0712%0.118CC..EExtended strand (participates in β ladder)trans-116.5121.6169.5-175.7165.9175.1165.50109.4I167 Q169 F170 S187 E298 S299 V342I167-K340 HydrophobicContact CD1-CG 4.33Å; I167-K340 HydrophobicContact CG2-CD 3.81Å; Q169-K340 PolarHBondContact O-NZ 2.87Å; F170-K340 HydrophobicContact CD2-CB 3.5Å; F170-K340 VanDerWaalsContact CD2-CB 3.5Å; F170-K340 HydrophobicContact CD2-CD 4.14Å; F170-K340 HydrophobicContact CD2-CG 4.43Å; F170-K340 HydrophobicContact CE2-CB 3.39Å; F170-K340 HydrophobicContact CZ-CB 4.46Å; S187-K340 PolarHBondContact O-N 2.96Å; E298-K340 WeakPolarHBondContact OE2-CE 3.42Å; E298-K340 IonicContact OE2-NZ 2.62Å; E298-K340 PolarHBondContact OE2-NZ 2.87Å; S299-K340 WeakPolarHBondContact O-CA 3.17Å; K340-V342 HydrophobicContact CG-CG2 4.44Å
341D88.3Confident86.3Confident0 Ų019 Ų190%09%0.09CC..EExtended strand (participates in β ladder)trans-108.4138176.4-70.2-52.2000109.7V32 T33 S34 E298 S299 Q339 F392V32-D341 HydrophobicContact CG1-CB 4.07Å; V32-D341 HydrophobicContact CG2-CB 4.36Å; T33-D341 VanDerWaalsContact CA-OD2 3.25Å; T33-D341 WeakPolarHBondContact CA-OD2 3.47Å; T33-D341 PolarHBondContact OG1-OD2 3.47Å; S34-D341 WeakPolarHBondContact CB-OD1 3.46Å; S34-D341 PolarHBondContact N-OD2 3.45Å; E298-D341 WeakPolarHBondContact CA-O 3.28Å; S299-D341 PolarHBondContact N-O 2.92Å; S299-D341 PolarHBondContact O-N 3.44Å; Q339-D341 PolarHBondContact NE2-OD1 3.19Å; Q339-D341 PolarHBondContact NE2-OD2 3.41Å; D341-F392 HydrophobicContact CB-CE1 4.13Å
342V84.9Confident84.2Confident5 Ų514.2 Ų14.23%0.037%0.066CC..EExtended strand (participates in β ladder)trans-132.5126.6176.4-178.20000108.9I167 K296 L297 E298 K340I167-V342 HydrophobicContact CD1-CG2 3.73Å; I167-V342 HydrophobicContact CG1-CG2 3.89Å; K296-V342 HydrophobicContact CG-CG1 4.47Å; L297-V342 WeakPolarHBondContact O-CA 3.48Å; E298-V342 HydrophobicContact CB-CG2 4.4Å; E298-V342 HydrophobicContact CG-CG1 4.11Å; E298-V342 HydrophobicContact CG-CG2 3.94Å; K340-V342 HydrophobicContact CG-CG2 4.44Å
343I86.7Confident81.4Confident2 Ų223.5 Ų23.51%0.0110%0.101CC..EExtended strand (participates in β ladder)trans-120.8131166-177.2157000109.2V32 F252 F295 K296 L297 I345 M350 V382V32-I343 HydrophobicContact CB-CG2 3.79Å; V32-I343 HydrophobicContact CG1-CG2 4.16Å; V32-I343 HydrophobicContact CG2-CB 4Å; V32-I343 HydrophobicContact CG2-CG2 3.55Å; F252-I343 HydrophobicContact CE2-CD1 4.44Å; F295-I343 HydrophobicContact CE2-CG2 4.37Å; K296-I343 CarbonylContact C-O 3.55Å; K296-I343 VanDerWaalsContact CA-O 3.32Å; K296-I343 WeakPolarHBondContact CA-O 3.24Å; L297-I343 HydrophobicContact CB-CG2 3.74Å; L297-I343 HydrophobicContact CD1-CG2 4.45Å; L297-I343 HydrophobicContact CG-CG2 4.37Å; L297-I343 PolarHBondContact N-O 3.05Å; L297-I343 PolarHBondContact O-N 3.35Å; I343-I345 HydrophobicContact CD1-CD1 4.29Å; I343-I345 HydrophobicContact CD1-CG1 4.4Å; I343-I345 HydrophobicContact CG1-CD1 4.25Å; I343-I345 HydrophobicContact CG1-CG1 4.09Å; I343-M350 HydrophobicContact CB-CE 3.82Å; I343-M350 HydrophobicContact CD1-CE 3.82Å; I343-M350 HydrophobicContact CD1-SD 3.78Å; I343-M350 HydrophobicContact CG1-CE 3.47Å; I343-M350 VanDerWaalsContact CG1-CE 3.47Å; I343-M350 HydrophobicContact CG1-SD 3.66Å; I343-V382 HydrophobicContact CD1-CG2 3.94Å
344R87.6Confident78.3Confident97 Ų9725.7 Ų25.737%0.36612%0.121SC..EExtended strand (participates in β ladder)trans-118.5141.1170173.2173.2162.6177-0.6107.5F295 K296 D346 M350 E351F295-R344 CarbonylContact O-C 3.53Å; F295-R344 WeakPolarHBondContact O-CA 3.22Å; K296-R344 HydrophobicContact CG-CB 4.41Å; R344-D346 IonicContact CZ-OD2 3.79Å; R344-D346 VanDerWaalsContact CZ-OD2 3.23Å; R344-D346 IonicContact NE-OD2 3.93Å; R344-D346 PolarHBondContact NE-OD2 3.31Å; R344-D346 IonicContact NH2-OD2 3.15Å; R344-D346 PolarHBondContact NH2-OD2 3.49Å; R344-M350 CarbonylContact C-O 3.59Å; R344-M350 VanDerWaalsContact CB-O 3.29Å; R344-M350 WeakPolarHBondContact CB-O 3.37Å; R344-M350 WeakPolarHBondContact CG-O 3.37Å; R344-M350 CarbonylContact O-C 3.51Å; R344-M350 WeakPolarHBondContact O-CA 3.5Å; R344-M350 WeakPolarHBondContact O-CG 3.32Å; R344-E351 HydrophobicContact CB-CG 4.15Å
345I90.9Very high75.5Confident0 Ų028.1 Ų28.10%014%0.136CC..EExtended strand (participates in β ladder)trans-133.8113.8178.8-68.3-62.5000106.2W195 M222 F252 L292 K294 F295 I343W195-I345 HydrophobicContact CH2-CD1 4.08Å; W195-I345 HydrophobicContact CZ2-CD1 4.02Å; W195-I345 HydrophobicContact CZ2-CG2 4.16Å; M222-I345 HydrophobicContact CE-CG2 3.79Å; F252-I345 HydrophobicContact CD2-CD1 4.12Å; F252-I345 HydrophobicContact CE2-CD1 3.8Å; F252-I345 HydrophobicContact CE2-CG1 4.23Å; F252-I345 HydrophobicContact CZ-CD1 4.13Å; F252-I345 HydrophobicContact CZ-CG1 4.23Å; L292-I345 HydrophobicContact CD2-CG2 3.91Å; L292-I345 HydrophobicContact CG-CG2 4.28Å; K294-I345 WeakPolarHBondContact CA-O 3.14Å; K294-I345 WeakPolarHBondContact CG-O 3.2Å; F295-I345 HydrophobicContact CD1-CB 4.2Å; F295-I345 HydrophobicContact CD1-CG2 4.44Å; F295-I345 HydrophobicContact CE1-CB 3.89Å; F295-I345 HydrophobicContact CE1-CG1 3.98Å; F295-I345 HydrophobicContact CE1-CG2 4.05Å; F295-I345 HydrophobicContact CE2-CB 4.3Å; F295-I345 HydrophobicContact CE2-CG1 3.9Å; F295-I345 HydrophobicContact CZ-CB 3.97Å; F295-I345 HydrophobicContact CZ-CG1 3.56Å; F295-I345 HydrophobicContact CZ-CG2 4.5Å; F295-I345 PolarHBondContact N-O 3.35Å; F295-I345 PolarHBondContact O-N 2.93Å; I343-I345 HydrophobicContact CD1-CD1 4.29Å; I343-I345 HydrophobicContact CD1-CG1 4.4Å; I343-I345 HydrophobicContact CG1-CD1 4.25Å; I343-I345 HydrophobicContact CG1-CG1 4.09Å
346D88.9Confident72.8Confident3 Ų331.3 Ų31.32%0.01617%0.165CC..  trans-137.3-174179.169.231.6000112.3W195 M222 K294 R344 V348 G349W195-D346 PolarHBondContact NE1-O 2.69Å; M222-D346 VanDerWaalsContact SD-CA 3.6Å; M222-D346 VanDerWaalsContact SD-O 3.41Å; K294-D346 HydrophobicContact CD-CB 4.18Å; K294-D346 HydrophobicContact CG-CB 4.26Å; R344-D346 IonicContact CZ-OD2 3.79Å; R344-D346 VanDerWaalsContact CZ-OD2 3.23Å; R344-D346 IonicContact NE-OD2 3.93Å; R344-D346 PolarHBondContact NE-OD2 3.31Å; R344-D346 IonicContact NH2-OD2 3.15Å; R344-D346 PolarHBondContact NH2-OD2 3.49Å; D346-V348 PolarHBondContact O-N 3.18Å; D346-V348 PolarHBondContact OD1-N 3.49Å; D346-V348 VanDerWaalsContact OD1-N 3.09Å; D346-G349 PolarHBondContact N-O 2.85Å; D346-G349 PolarHBondContact O-N 3.07Å; D346-G349 PolarHBondContact OD1-N 3.17Å
347E83.7Confident70Confident9 Ų934.9 Ų34.94%0.04218%0.183CC..SBendtrans-65.2-30.7-169.9-68.886.3169.300112.6F199 E201 T204 M222 K294F199-E347 HydrophobicContact CB-CB 3.97Å; F199-E347 HydrophobicContact CB-CG 4.11Å; F199-E347 PolarHBondContact N-O 3.05Å; E201-E347 HydrophobicContact CB-CG 4.49Å; E201-E347 HydrophobicContact CG-CB 3.96Å; E201-E347 HydrophobicContact CG-CG 3.85Å; T204-E347 WeakPolarHBondContact CB-OE1 3.4Å; T204-E347 WeakPolarHBondContact CG2-OE1 3.46Å; T204-E347 VanDerWaalsContact OG1-CG 3.32Å; T204-E347 WeakPolarHBondContact OG1-CG 3.34Å; T204-E347 PolarHBondContact OG1-OE1 3.1Å; M222-E347 HydrophobicContact CG-CG 3.94Å; M222-E347 VanDerWaalsContact SD-CA 3.53Å; M222-E347 HydrophobicContact SD-CB 4.27Å; M222-E347 HydrophobicContact SD-CG 3.8Å; M222-E347 PolarHBondContact SD-N 3.47Å; K294-E347 WeakPolarHBondContact CD-OE2 3.37Å; K294-E347 WeakPolarHBondContact CE-OE2 3.49Å; K294-E347 IonicContact NZ-OE1 3.23Å; K294-E347 IonicContact NZ-OE2 2.62Å; K294-E347 PolarHBondContact NZ-OE2 3.08Å
348V77.6Confident67.1Low6 Ų640 Ų404%0.03623%0.225CC..SBendtrans-90-32.6-177.3-164.40000110.2V194 W195 D346 A352 V355V194-V348 CarbonylContact C-O 3.47Å; V194-V348 VanDerWaalsContact CA-O 3.24Å; V194-V348 WeakPolarHBondContact CA-O 3.46Å; V194-V348 HydrophobicContact CB-CG1 4.37Å; V194-V348 VanDerWaalsContact CB-O 3.26Å; V194-V348 WeakPolarHBondContact CB-O 3.34Å; V194-V348 HydrophobicContact CG1-CG1 3.89Å; W195-V348 VanDerWaalsContact CD1-C 3.43Å; W195-V348 PolarHBondContact N-O 3.18Å; D346-V348 PolarHBondContact O-N 3.18Å; D346-V348 PolarHBondContact OD1-N 3.49Å; D346-V348 VanDerWaalsContact OD1-N 3.09Å; V348-A352 HydrophobicContact CB-CB 3.67Å; V348-A352 HydrophobicContact CG1-CB 3.26Å; V348-V355 HydrophobicContact CG1-CB 4.47Å; V348-V355 HydrophobicContact CG1-CG2 3.65Å
349G74Confident64.8Low0 Ų041.9 Ų41.90%024%0.236CC..BIsolated β-bridgetrans167.1-145.7-178.500000113.8D193 W195 D346D193-G349 WeakPolarHBondContact O-CA 3.27Å; W195-G349 VanDerWaalsContact CD1-CA 3.5Å; D346-G349 PolarHBondContact N-O 2.85Å; D346-G349 PolarHBondContact O-N 3.07Å; D346-G349 PolarHBondContact OD1-N 3.17Å
350M60.1Low62.2Low1 Ų150.9 Ų50.91%0.00528%0.276CS..SBendtrans-74.6-39.9170.9-172.7131.9162.500110.3F191 D193 F245 I343 R344 V382 F392F191-M350 HydrophobicContact CB-CE 3.87Å; F191-M350 HydrophobicContact CB-SD 4.42Å; F191-M350 HydrophobicContact CD1-CB 4.14Å; F191-M350 HydrophobicContact CD1-CE 4.04Å; F191-M350 HydrophobicContact CD1-CG 4Å; F191-M350 HydrophobicContact CD1-SD 3.46Å; F191-M350 WeakPolarHBondContact CD1-SD 3.42Å; F191-M350 HydrophobicContact CE1-CB 4.32Å; F191-M350 HydrophobicContact CE1-SD 4.17Å; F191-M350 HydrophobicContact CG-CE 4.41Å; F191-M350 HydrophobicContact CG-SD 4.34Å; F191-M350 WeakPolarHBondContact O-CE 3.32Å; F191-M350 WeakPolarHBondContact O-CG 3.12Å; D193-M350 PolarHBondContact O-N 3.13Å; F245-M350 HydrophobicContact CE1-CB 4.23Å; I343-M350 HydrophobicContact CB-CE 3.82Å; I343-M350 HydrophobicContact CD1-CE 3.82Å; I343-M350 HydrophobicContact CD1-SD 3.78Å; I343-M350 HydrophobicContact CG1-CE 3.47Å; I343-M350 VanDerWaalsContact CG1-CE 3.47Å; I343-M350 HydrophobicContact CG1-SD 3.66Å; R344-M350 CarbonylContact C-O 3.59Å; R344-M350 VanDerWaalsContact CB-O 3.29Å; R344-M350 WeakPolarHBondContact CB-O 3.37Å; R344-M350 WeakPolarHBondContact CG-O 3.37Å; R344-M350 CarbonylContact O-C 3.51Å; R344-M350 WeakPolarHBondContact O-CA 3.5Å; R344-M350 WeakPolarHBondContact O-CG 3.32Å; M350-V382 HydrophobicContact SD-CG2 3.96Å; M350-F392 HydrophobicContact CE-CD2 4.26Å; M350-F392 HydrophobicContact CE-CE2 4.1Å
351E56.8Low60.4Low20 Ų2053.7 Ų53.79%0.09329%0.291CS..SBendtrans-160.495.1167.9-64.6-164.9168.900113.5L166 Y190 K192 R344L166-E351 WeakPolarHBondContact CD1-OE2 3.17Å; L166-E351 WeakPolarHBondContact CD2-OE2 3.29Å; Y190-E351 HydrophobicContact CE2-CG 4.26Å; Y190-E351 PolarHBondContact OH-OE2 3.23Å; K192-E351 WeakPolarHBondContact CE-O 3.29Å; K192-E351 HydrophobicContact CG-CB 4.22Å; R344-E351 HydrophobicContact CB-CG 4.15Å
352A44.4Very low58.2Low15 Ų1557.3 Ų57.312%0.12431%0.314CS..  trans-145.6159.8176.700000114.2I102 V194 V348I102-A352 HydrophobicContact CD1-CB 4.41Å; I102-A352 HydrophobicContact CG2-CB 3.52Å; V194-A352 HydrophobicContact CB-CB 4.43Å; V194-A352 HydrophobicContact CG1-CB 3.12Å; V348-A352 HydrophobicContact CB-CB 3.67Å; V348-A352 HydrophobicContact CG1-CB 3.26Å
353R33.7Very low56.6Low200 Ų20064.4 Ų64.476%0.75535%0.352SS*.  trans-100.3150.3170.1-91.7169.5171.1164.6-1.5108.9D103D103-R353 VanDerWaalsContact OD1-C 3.24Å; D103-R353 WeakPolarHBondContact OD2-CB 3.49Å
354S31.8Very low54.6Low86 Ų8669.7 Ų69.760%0.60139%0.388SS*.  trans-23129.7-164.7-157.10000117.8
355V37.9Very low52.9Low54 Ų5468.5 Ų68.533%0.32740%0.395SS..  trans-131.7121.4165.6-160.30000108.5P198 V348P198-V355 HydrophobicContact CG-CB 4.39Å; V348-V355 HydrophobicContact CG1-CB 4.47Å; V348-V355 HydrophobicContact CG1-CG2 3.65Å
356A37.3Very low51.2Low90 Ų9077.9 Ų77.974%0.74443%0.432SS*.  trans-96.2107.6177.500000110.2
357N36.1Very low50.2Low85 Ų8586.3 Ų86.346%0.45546%0.464SS..  trans-118.9111.2174.5-78-9.3000111.4M200 M359M200-N357 VanDerWaalsContact CE-C 3.46Å; M200-N357 WeakPolarHBondContact CE-O 3.22Å; N357-M359 PolarHBondContact O-N 3.49Å
358A34.6Very low50.4Low106 Ų10692.8 Ų92.888%0.87650%0.499SS*.  trans-69.4123.1172.700000110.4
359M43.7Very low51.1Low84 Ų8493.7 Ų93.741%0.41450%0.504SS..  trans-82.6136.3177.5-170.9-179.2-81.900110.9V197 N224 E225 E226 N357 I361V197-M359 HydrophobicContact CG1-CE 3.6Å; N224-M359 WeakPolarHBondContact ND2-CE 3.45Å; N224-M359 VanDerWaalsContact OD1-CE 3.25Å; N224-M359 WeakPolarHBondContact OD1-CE 3.4Å; E225-M359 VanDerWaalsContact O-CE 3.25Å; E225-M359 WeakPolarHBondContact O-CE 3.14Å; E226-M359 HydrophobicContact CB-CE 4.2Å; N357-M359 PolarHBondContact O-N 3.49Å; M359-I361 HydrophobicContact CG-CG1 4.03Å; M359-I361 HydrophobicContact SD-CD1 3.87Å; M359-I361 HydrophobicContact SD-CG1 3.9Å
360F39.2Very low52.2Low189 Ų18995.8 Ų95.883%0.82952%0.515SS*.  trans-115.9108.3173.4-155.9-87.9000108.9
361I49.9Very low54Low75 Ų75100.7 Ų100.739%0.38554%0.538SS..  trans-100.9117175.2-55.6176.6000108.2M359 L363M359-I361 HydrophobicContact CG-CG1 4.03Å; M359-I361 HydrophobicContact SD-CD1 3.87Å; M359-I361 HydrophobicContact SD-CG1 3.9Å; I361-L363 PolarHBondContact O-N 2.95Å
362P42.5Very low55.9Low76 Ų7699.7 Ų99.749%0.49453%0.533SS..  trans-62.3122.9172.5-18.830.8000110.6S364 S365P362-S364 PolarHBondContact O-N 2.92Å; P362-S365 PolarHBondContact O-N 3.22Å
363L50.6Low58.5Low155 Ų155101.3 Ų101.381%0.81254%0.538SS*.THydrogen-bonded Turntrans-54.4-19.3177.9-79.9152.2000114.1I361 S365I361-L363 PolarHBondContact O-N 2.95Å; L363-S365 VanDerWaalsContact C-N 3.29Å; L363-S365 PolarHBondContact O-N 3.4Å
364S46.5Very low61.5Low112 Ų11291.8 Ų91.878%0.78350%0.502SS*.THydrogen-bonded Turntrans-75-6.7-175.753.50000115.3P362P362-S364 PolarHBondContact O-N 2.92Å
365S51Low64.6Low73 Ų7389.5 Ų89.551%0.5149%0.485SS..  trans-109.656.6174.2-780000111.9R287 P362 L363 R367R287-S365 PolarHBondContact NH1-O 3.14Å; P362-S365 PolarHBondContact O-N 3.22Å; L363-S365 VanDerWaalsContact C-N 3.29Å; L363-S365 PolarHBondContact O-N 3.4Å; S365-R367 PolarHBondContact O-N 3.38Å
366Y55.6Low67.4Low196 Ų19687.5 Ų87.577%0.76947%0.472SS*.  trans-71.656.2176.6-133.9-87.3000112
367R68.4Low70.2Confident181 Ų18183.4 Ų83.468%0.68344%0.437SS*.PPolyproline II helixtrans-87.4134.7160.1-67.8-174.7-178.6-177.82.3107.5R287 S365R287-R367 PolarHBondContact NH1-O 3.12Å; S365-R367 PolarHBondContact O-N 3.38Å
368N87.4Confident73.1Confident145 Ų14579.3 Ų79.378%0.77542%0.416SS*.PPolyproline II helixtrans-60.6129.5170.7-72.4-26.5000108.2
369P92.2Very high76Confident24 Ų2474.3 Ų74.316%0.15637%0.374CS..PPolyproline II helixtrans-66.4142.1-178.827.1-33.5000110.6R287 Q371R287-P369 HydrophobicContact CG-CB 4.1Å; R287-P369 CarbonylContact O-C 3.53Å; R287-P369 VanDerWaalsContact O-CA 3.31Å; R287-P369 WeakPolarHBondContact O-CA 3.28Å; P369-Q371 PolarHBondContact O-N 2.87Å; P369-Q371 PolarHBondContact O-NE2 3.48Å
370I96.6Very high78.6Confident45 Ų4570.3 Ų70.323%0.23136%0.355CS..EExtended strand (participates in β ladder)trans-63.7131.4171.4-61.4-179.5000108.4Y230 E286 R287 V288 S289 F372Y230-I370 HydrophobicContact CD1-CD1 3.37Å; Y230-I370 HydrophobicContact CD1-CG2 4.34Å; Y230-I370 HydrophobicContact CD2-CG2 4.18Å; Y230-I370 HydrophobicContact CE1-CD1 3.48Å; Y230-I370 VanDerWaalsContact CE1-CD1 3.48Å; Y230-I370 HydrophobicContact CE1-CG2 3.89Å; Y230-I370 HydrophobicContact CE2-CG2 3.7Å; Y230-I370 HydrophobicContact CG-CD1 4.07Å; Y230-I370 HydrophobicContact CG-CG2 4.46Å; E286-I370 HydrophobicContact CB-CD1 3.69Å; E286-I370 HydrophobicContact CG-CD1 3.9Å; R287-I370 PolarHBondContact O-N 2.94Å; V288-I370 CarbonylContact C-O 3.31Å; V288-I370 WeakPolarHBondContact CA-O 3.42Å; V288-I370 HydrophobicContact CG2-CB 4.33Å; S289-I370 PolarHBondContact N-O 3.48Å; I370-F372 PolarHBondContact O-N 3.36Å
371Q97Very high81.3Confident103 Ų10361.5 Ų61.548%0.48132%0.316SS..EExtended strand (participates in β ladder)trans-88.4100.8-178.3-57.1-60.9-58.400109.6P369 H373P369-Q371 PolarHBondContact O-N 2.87Å; P369-Q371 PolarHBondContact O-NE2 3.48Å; Q371-H373 PolarHBondContact OE1-CE1 2.88Å; Q371-H373 PolarHBondContact OE1-NE2 2.8Å
372F98.1Very high83.4Confident0 Ų058 Ų580%030%0.298CS..EExtended strand (participates in β ladder)trans-108.884.8175.2-163.5-84.8000109.2Y230 E239 I241 V254 L256 V288 S289 L290 K291 I370 I374Y230-F372 HydrophobicContact CD2-CD2 4.11Å; Y230-F372 AromaticContact CE2-CD2 3.86Å; Y230-F372 HydrophobicContact CE2-CD2 3.86Å; Y230-F372 HydrophobicContact CE2-CE2 4.37Å; E239-F372 HydrophobicContact CB-CD2 4.44Å; E239-F372 HydrophobicContact CB-CE2 3.92Å; E239-F372 HydrophobicContact CG-CD2 3.97Å; E239-F372 HydrophobicContact CG-CE2 3.53Å; E239-F372 HydrophobicContact CG-CZ 4.42Å; E239-F372 WeakPolarHBondContact OE2-CD2 3.1Å; I241-F372 HydrophobicContact CB-CE1 4.46Å; I241-F372 HydrophobicContact CB-CE2 4.49Å; I241-F372 HydrophobicContact CB-CZ 4.36Å; I241-F372 HydrophobicContact CD1-CD1 4.2Å; I241-F372 HydrophobicContact CD1-CE1 4.13Å; I241-F372 HydrophobicContact CG1-CD1 4.08Å; I241-F372 HydrophobicContact CG1-CE1 3.67Å; I241-F372 HydrophobicContact CG1-CE2 4.47Å; I241-F372 HydrophobicContact CG1-CZ 3.87Å; I241-F372 HydrophobicContact CG2-CB 4.27Å; I241-F372 HydrophobicContact CG2-CD1 3.91Å; I241-F372 HydrophobicContact CG2-CD2 3.55Å; I241-F372 HydrophobicContact CG2-CE1 4.08Å; I241-F372 HydrophobicContact CG2-CE2 3.68Å; I241-F372 HydrophobicContact CG2-CG 3.64Å; I241-F372 HydrophobicContact CG2-CZ 3.95Å; V254-F372 HydrophobicContact CB-CE1 4.2Å; V254-F372 HydrophobicContact CB-CZ 4.37Å; V254-F372 HydrophobicContact CG1-CE1 3.93Å; V254-F372 HydrophobicContact CG1-CZ 4.15Å; L256-F372 HydrophobicContact CB-CE1 4.08Å; L256-F372 HydrophobicContact CB-CE2 4.13Å; L256-F372 HydrophobicContact CB-CZ 3.53Å; L256-F372 HydrophobicContact CD2-CD1 4.43Å; L256-F372 HydrophobicContact CD2-CE1 4.1Å; L256-F372 HydrophobicContact CD2-CE2 4.43Å; L256-F372 HydrophobicContact CD2-CZ 4.12Å; L256-F372 HydrophobicContact CG-CZ 4.47Å; V288-F372 HydrophobicContact CG1-CB 3.52Å; S289-F372 PolarHBondContact O-N 2.96Å; L290-F372 HydrophobicContact CD1-CD1 3.84Å; K291-F372 PolarHBondContact N-O 2.87Å; K291-F372 VanDerWaalsContact N-O 3.12Å; I370-F372 PolarHBondContact O-N 3.36Å; F372-I374 HydrophobicContact CD1-CD1 4.21Å; F372-I374 HydrophobicContact CD1-CG1 3.88Å; F372-I374 HydrophobicContact CE1-CD1 3.88Å; F372-I374 HydrophobicContact CE1-CG1 3.62Å
373H97.7Very high85.9Confident49 Ų4954.6 Ų54.623%0.22728%0.275CS..EExtended strand (participates in β ladder)trans-108.4105.9-173.4-62174000111.2S289 K291 Q371 T375S289-H373 PolarHBondContact O-CD2 3.45Å; S289-H373 VanDerWaalsContact O-CD2 3.3Å; S289-H373 PolarHBondContact O-NE2 2.85Å; S289-H373 PolarHBondContact OG-NE2 2.81Å; K291-H373 HydrophobicContact CB-CB 4.02Å; K291-H373 HydrophobicContact CD-CB 4.32Å; Q371-H373 PolarHBondContact OE1-CE1 2.88Å; Q371-H373 PolarHBondContact OE1-NE2 2.8Å; H373-T375 HydrophobicContact CB-CG2 4.26Å; H373-T375 PolarHBondContact O-N 3.15Å; H373-T375 PolarHBondContact O-OG1 3.04Å
374I97.8Very high87.8Confident0 Ų047.2 Ų47.20%024%0.237CC..  trans-79.989.9-177.4-55.9161.5000108.5F209 V254 L256 L290 K291 L292 P293 F372 F378F209-I374 HydrophobicContact CE2-CG2 4.38Å; V254-I374 HydrophobicContact CB-CD1 4.41Å; V254-I374 HydrophobicContact CG1-CD1 3.79Å; V254-I374 HydrophobicContact CG1-CG1 4.24Å; V254-I374 HydrophobicContact CG2-CD1 4.19Å; L256-I374 HydrophobicContact CD1-CB 4.38Å; L256-I374 HydrophobicContact CD1-CG1 4.32Å; L256-I374 HydrophobicContact CD1-CG2 4.09Å; L256-I374 HydrophobicContact CD2-CG1 4.37Å; L290-I374 HydrophobicContact CD1-CD1 4.19Å; K291-I374 WeakPolarHBondContact O-CB 2.99Å; K291-I374 PolarHBondContact O-N 3.29Å; L292-I374 HydrophobicContact CB-CD1 4.3Å; L292-I374 HydrophobicContact CD1-CD1 3.43Å; L292-I374 VanDerWaalsContact CD1-CD1 3.43Å; L292-I374 HydrophobicContact CG-CD1 4.46Å; P293-I374 HydrophobicContact CG-CG2 4.09Å; F372-I374 HydrophobicContact CD1-CD1 4.21Å; F372-I374 HydrophobicContact CD1-CG1 3.88Å; F372-I374 HydrophobicContact CE1-CD1 3.88Å; F372-I374 HydrophobicContact CE1-CG1 3.62Å; I374-F378 HydrophobicContact CG2-CB 4.36Å; I374-F378 HydrophobicContact CG2-CD1 3.22Å; I374-F378 HydrophobicContact CG2-CD2 4.37Å; I374-F378 HydrophobicContact CG2-CE1 3.4Å; I374-F378 HydrophobicContact CG2-CE2 4.49Å; I374-F378 HydrophobicContact CG2-CG 3.75Å; I374-F378 HydrophobicContact CG2-CZ 4.05Å
375T96.3Very high89.9Confident38 Ų3845.3 Ų45.323%0.23321%0.214CC..  trans-117.49.7-174.153.20000113.2F209 E210 H373F209-T375 CarbonylContact C-O 3.57Å; F209-T375 WeakPolarHBondContact CA-O 3.33Å; E210-T375 PolarHBondContact N-O 3.11Å; H373-T375 HydrophobicContact CB-CG2 4.26Å; H373-T375 PolarHBondContact O-N 3.15Å; H373-T375 PolarHBondContact O-OG1 3.04Å
376H96.7Very high91.6Very high12 Ų1247.4 Ų47.46%0.05622%0.216CC..SBendtrans-158.7169.7-175.858.4-94.2000110.5F209 L256 P257 K260 F378F209-H376 WeakPolarHBondContact CE2-O 3.48Å; F209-H376 WeakPolarHBondContact CZ-O 3.32Å; L256-H376 WeakPolarHBondContact CD1-NE2 3.39Å; P257-H376 PolarHBondContact O-NE2 3.21Å; K260-H376 WeakPolarHBondContact CA-CD2 3.1Å; K260-H376 HydrophobicContact CB-CB 3.65Å; K260-H376 HydrophobicContact CD-CB 4.27Å; K260-H376 HydrophobicContact CG-CB 4.21Å; K260-H376 PolarHBondContact O-CD2 2.99Å; K260-H376 VanDerWaalsContact O-CD2 3.27Å; H376-F378 WeakPolarHBondContact O-CD1 3.22Å; H376-F378 PolarHBondContact O-N 3.27Å
377P96.9Very high93Very high3 Ų339.3 Ų39.32%0.01919%0.186CC..  trans-48.8137.9-176.5-33.836000115F209 E210 P257 L263 V396 I397F209-P377 HydrophobicContact CE1-CG 4.44Å; E210-P377 WeakPolarHBondContact O-CD 3.09Å; P257-P377 VanDerWaalsContact CD-O 3.28Å; P257-P377 WeakPolarHBondContact CD-O 3.31Å; P257-P377 WeakPolarHBondContact CG-O 3.39Å; L263-P377 HydrophobicContact CD1-CB 4.09Å; L263-P377 HydrophobicContact CD2-CB 4.04Å; L263-P377 HydrophobicContact CG-CB 4.5Å; P377-V396 WeakPolarHBondContact CA-O 3.32Å; P377-I397 HydrophobicContact CB-CD1 3.95Å; P377-I397 HydrophobicContact CG-CD1 4.46Å; P377-I397 HydrophobicContact CG-CG2 4.46Å
378F96.9Very high93.9Very high0 Ų032.3 Ų32.30%016%0.162CC..EExtended strand (participates in β ladder)trans-146.4170.2-175.564.7-83.2000111.1F209 V254 L256 P293 F295 I374 H376 C380 V396F209-F378 HydrophobicContact CE2-CD1 4.32Å; F209-F378 HydrophobicContact CE2-CE1 4.16Å; F209-F378 HydrophobicContact CZ-CD1 4.21Å; F209-F378 HydrophobicContact CZ-CE1 4.24Å; V254-F378 HydrophobicContact CG1-CB 4.42Å; V254-F378 HydrophobicContact CG1-CD2 3.77Å; V254-F378 HydrophobicContact CG1-CE2 4.41Å; V254-F378 HydrophobicContact CG1-CG 4.35Å; L256-F378 HydrophobicContact CD1-CB 3.95Å; P293-F378 HydrophobicContact CG-CE1 3.88Å; P293-F378 HydrophobicContact CG-CZ 4.11Å; F295-F378 HydrophobicContact CD1-CZ 4.39Å; F295-F378 HydrophobicContact CE1-CE2 4.33Å; F295-F378 AromaticContact CE1-CZ 3.72Å; F295-F378 HydrophobicContact CE1-CZ 3.72Å; F295-F378 HydrophobicContact CZ-CE2 4.47Å; F295-F378 HydrophobicContact CZ-CZ 4.18Å; I374-F378 HydrophobicContact CG2-CB 4.36Å; I374-F378 HydrophobicContact CG2-CD1 3.22Å; I374-F378 HydrophobicContact CG2-CD2 4.37Å; I374-F378 HydrophobicContact CG2-CE1 3.4Å; I374-F378 HydrophobicContact CG2-CE2 4.49Å; I374-F378 HydrophobicContact CG2-CG 3.75Å; I374-F378 HydrophobicContact CG2-CZ 4.05Å; H376-F378 WeakPolarHBondContact O-CD1 3.22Å; H376-F378 PolarHBondContact O-N 3.27Å; F378-C380 HydrophobicContact CD2-CB 4.16Å; F378-C380 HydrophobicContact CE2-CB 3.98Å; F378-V396 HydrophobicContact CD1-CB 3.98Å; F378-V396 HydrophobicContact CD1-CG1 4.42Å; F378-V396 HydrophobicContact CD2-CB 4.32Å; F378-V396 HydrophobicContact CD2-CG2 4.14Å; F378-V396 HydrophobicContact CE1-CB 3.59Å; F378-V396 HydrophobicContact CE1-CG1 3.66Å; F378-V396 HydrophobicContact CE1-CG2 4.12Å; F378-V396 HydrophobicContact CE2-CB 3.98Å; F378-V396 HydrophobicContact CE2-CG2 3.58Å; F378-V396 HydrophobicContact CG-CB 4.34Å; F378-V396 HydrophobicContact CZ-CB 3.6Å; F378-V396 HydrophobicContact CZ-CG1 3.77Å; F378-V396 HydrophobicContact CZ-CG2 3.57Å; F378-V396 PolarHBondContact N-O 3.4Å; F378-V396 VanDerWaalsContact N-O 3.1Å; F378-V396 PolarHBondContact O-N 3.04Å
379I96.1Very high93.9Very high0 Ų025.6 Ų25.60%013%0.126CC..EExtended strand (participates in β ladder)trans-115141170.6-67.1168.2000108I255 I266 L270 F381 A394I255-I379 PolarHBondContact N-O 3.28Å; I255-I379 PolarHBondContact O-N 2.66Å; I255-I379 VanDerWaalsContact O-N 3.12Å; I266-I379 VanDerWaalsContact C-CD1 3.43Å; I266-I379 HydrophobicContact CB-CD1 3.96Å; I266-I379 HydrophobicContact CD1-CB 4.28Å; I266-I379 HydrophobicContact CD1-CD1 3.71Å; I266-I379 HydrophobicContact CD1-CG1 3.86Å; I266-I379 HydrophobicContact CG1-CD1 3.57Å; I266-I379 HydrophobicContact CG1-CG1 4.3Å; I266-I379 VanDerWaalsContact O-CD1 3.22Å; I266-I379 WeakPolarHBondContact O-CD1 3.3Å; L270-I379 HydrophobicContact CD1-CD1 3.34Å; L270-I379 HydrophobicContact CD1-CG1 3.79Å; L270-I379 HydrophobicContact CD1-CG2 4.12Å; L270-I379 HydrophobicContact CD2-CG2 3.8Å; L270-I379 HydrophobicContact CG-CD1 3.92Å; L270-I379 HydrophobicContact CG-CG2 4.05Å; I379-F381 HydrophobicContact CG2-CD2 4.16Å; I379-F381 HydrophobicContact CG2-CE2 3.39Å; I379-F381 HydrophobicContact CG2-CZ 3.72Å; I379-A394 CarbonylContact C-O 3.59Å; I379-A394 VanDerWaalsContact CA-O 3.31Å; I379-A394 WeakPolarHBondContact CA-O 3.24Å
380C96.6Very high93.8Very high1 Ų124.6 Ų24.61%0.00712%0.119CC..EExtended strand (participates in β ladder)trans-137.6157.817361.20000112.5F252 I253 V254 F378 A394F252-C380 HydrophobicContact CE1-CB 4.25Å; F252-C380 HydrophobicContact CE2-CB 3.69Å; F252-C380 HydrophobicContact CZ-CB 3.49Å; F252-C380 VanDerWaalsContact CZ-CB 3.49Å; I253-C380 CarbonylContact O-C 3.32Å; I253-C380 WeakPolarHBondContact O-CA 3.27Å; I253-C380 VanDerWaalsContact O-CB 3.24Å; I253-C380 WeakPolarHBondContact O-CB 3.34Å; V254-C380 HydrophobicContact CG2-CB 4.25Å; F378-C380 HydrophobicContact CD2-CB 4.16Å; F378-C380 HydrophobicContact CE2-CB 3.98Å; C380-A394 PolarHBondContact N-O 3.27Å; C380-A394 PolarHBondContact O-N 2.95Å
381F95.9Very high93.6Very high4 Ų422.4 Ų22.42%0.01811%0.109CC..EExtended strand (participates in β ladder)trans-134.3146.2178.6-58.2-96.2000110.5F252 I253 I255 F269 L270 L276 I379 F392 A393F252-F381 WeakPolarHBondContact CA-O 3.44Å; I253-F381 HydrophobicContact CB-CB 4.32Å; I253-F381 PolarHBondContact N-O 3.47Å; I253-F381 PolarHBondContact O-N 3.48Å; I255-F381 HydrophobicContact CD1-CD2 4.44Å; I255-F381 HydrophobicContact CD1-CE2 3.81Å; I255-F381 HydrophobicContact CG1-CE2 4.39Å; F269-F381 HydrophobicContact CB-CE2 4.38Å; F269-F381 HydrophobicContact CB-CZ 4.1Å; L270-F381 HydrophobicContact CD2-CE1 3.72Å; L270-F381 HydrophobicContact CD2-CZ 3.51Å; L270-F381 HydrophobicContact CG-CZ 4.32Å; L276-F381 HydrophobicContact CD1-CD2 4.35Å; L276-F381 HydrophobicContact CD1-CE2 4.31Å; L276-F381 HydrophobicContact CD2-CB 4.19Å; L276-F381 HydrophobicContact CD2-CD1 4.09Å; L276-F381 HydrophobicContact CD2-CD2 3.86Å; L276-F381 HydrophobicContact CD2-CE1 4.43Å; L276-F381 HydrophobicContact CD2-CE2 4.23Å; L276-F381 HydrophobicContact CD2-CG 3.79Å; L276-F381 HydrophobicContact CD2-CZ 4.49Å; I379-F381 HydrophobicContact CG2-CD2 4.16Å; I379-F381 HydrophobicContact CG2-CE2 3.39Å; I379-F381 HydrophobicContact CG2-CZ 3.72Å; F381-F392 WeakPolarHBondContact CA-O 3.2Å; F381-F392 WeakPolarHBondContact CB-O 3.43Å; F381-A393 HydrophobicContact CD1-CB 3.6Å; F381-A393 HydrophobicContact CE1-CB 3.49Å; F381-A393 VanDerWaalsContact CE1-CB 3.49Å
382V94.7Very high93.4Very high0 Ų017.6 Ų17.60%09%0.086CC..EExtended strand (participates in β ladder)trans-94.6116.7157.3179.30000106.2F191 F245 F252 I343 M350 S390 L391 F392F191-V382 HydrophobicContact CD1-CG1 4.1Å; F191-V382 HydrophobicContact CD2-CG1 3.87Å; F191-V382 HydrophobicContact CE1-CG1 4.02Å; F191-V382 HydrophobicContact CE2-CG1 3.79Å; F191-V382 HydrophobicContact CG-CG1 4.02Å; F191-V382 HydrophobicContact CZ-CG1 3.87Å; F245-V382 HydrophobicContact CE2-CG1 4.19Å; F252-V382 HydrophobicContact CD2-CG2 4.41Å; I343-V382 HydrophobicContact CD1-CG2 3.94Å; M350-V382 HydrophobicContact SD-CG2 3.96Å; V382-S390 CarbonylContact O-C 3.47Å; V382-L391 HydrophobicContact CB-CB 4.38Å; V382-L391 HydrophobicContact CG1-CB 4.26Å; V382-L391 HydrophobicContact CG1-CD1 4.26Å; V382-L391 PolarHBondContact O-N 3.44Å; V382-F392 HydrophobicContact CB-CB 4.1Å; V382-F392 HydrophobicContact CB-CD2 4.26Å; V382-F392 HydrophobicContact CG2-CB 4.15Å; V382-F392 HydrophobicContact CG2-CD2 4.32Å; V382-F392 PolarHBondContact N-O 3.3Å; V382-F392 PolarHBondContact O-N 3.43Å
383Y94.3Very high93.2Very high6 Ų617.6 Ų17.62%0.0249%0.086CC..EExtended strand (participates in β ladder)trans-117.1130.5-168.8-171.5-100.6000111.2F250 A251 I253 L276 I280 K385 N388 L389F250-Y383 CarbonylContact C-O 3.43Å; F250-Y383 VanDerWaalsContact CA-O 3.3Å; F250-Y383 WeakPolarHBondContact CA-O 3.27Å; A251-Y383 PolarHBondContact N-O 3.46Å; A251-Y383 PolarHBondContact O-N 3.49Å; I253-Y383 HydrophobicContact CG1-CG 4.41Å; L276-Y383 HydrophobicContact CD2-CD2 3.86Å; L276-Y383 HydrophobicContact CD2-CE2 4.16Å; I280-Y383 HydrophobicContact CD1-CD1 3.63Å; I280-Y383 HydrophobicContact CD1-CD2 3.97Å; I280-Y383 HydrophobicContact CD1-CE1 3.62Å; I280-Y383 HydrophobicContact CD1-CE2 3.97Å; I280-Y383 HydrophobicContact CD1-CG 3.79Å; Y383-K385 HydrophobicContact CD1-CG 4.14Å; Y383-K385 HydrophobicContact CE1-CG 4.48Å; Y383-N388 WeakPolarHBondContact OH-CA 3.39Å; Y383-N388 VanDerWaalsContact OH-CB 3.26Å; Y383-N388 WeakPolarHBondContact OH-CB 3.48Å; Y383-N388 PolarHBondContact OH-OD1 3.11Å; Y383-L389 WeakPolarHBondContact CA-O 3.37Å; Y383-L389 WeakPolarHBondContact CD2-O 3.38Å
384D91.9Very high93Very high0 Ų015.3 Ų15.30%08%0.075CC..EExtended strand (participates in β ladder)trans-87.8110.8169.4-176.2-23.8000109.1R249 F250 E386 L387 N388 L389 L391R249-D384 IonicContact CZ-OD1 3.05Å; R249-D384 IonicContact CZ-OD2 3.91Å; R249-D384 VanDerWaalsContact CZ-OD2 3.31Å; R249-D384 IonicContact NE-OD1 2.75Å; R249-D384 PolarHBondContact NE-OD1 3.08Å; R249-D384 VanDerWaalsContact NE-OD1 3.15Å; R249-D384 IonicContact NE-OD2 3.37Å; R249-D384 PolarHBondContact NE-OD2 3.35Å; R249-D384 IonicContact NH2-OD1 3.84Å; R249-D384 IonicContact NH2-OD2 2.7Å; R249-D384 PolarHBondContact NH2-OD2 3.42Å; F250-D384 HydrophobicContact CD1-CB 4.07Å; F250-D384 HydrophobicContact CE1-CB 3.96Å; D384-E386 VanDerWaalsContact C-N 3.33Å; D384-E386 PolarHBondContact OD1-N 2.98Å; D384-E386 WeakPolarHBondContact OD1-CB 3.37Å; D384-L387 HydrophobicContact CB-CB 4.45Å; D384-L387 PolarHBondContact OD1-N 3.17Å; D384-L387 WeakPolarHBondContact OD2-CD1 3.37Å; D384-L387 WeakPolarHBondContact OD2-CG 3.33Å; D384-N388 WeakPolarHBondContact O-CA 3.26Å; D384-N388 PolarHBondContact O-N 2.93Å; D384-L389 PolarHBondContact O-N 3.39Å; D384-L389 PolarHBondContact N-O 3.45Å; D384-L391 HydrophobicContact CB-CD2 4.27Å; D384-L391 HydrophobicContact CB-CG 4.3Å
385K90.1Very high92.9Very high72 Ų7216.9 Ų16.931%0.3138%0.081SC..THydrogen-bonded Turntrans-71.8-26.6-178-62.6173.4-169.11600113.1S244 T248 R249 Y383S244-K385 PolarHBondContact OG-NZ 3.02Å; T248-K385 PolarHBondContact O-NZ 2.81Å; R249-K385 VanDerWaalsContact O-CB 3.31Å; R249-K385 WeakPolarHBondContact O-CB 3Å; R249-K385 WeakPolarHBondContact O-CG 3.41Å; R249-K385 PolarHBondContact O-N 3.07Å; Y383-K385 HydrophobicContact CD1-CG 4.14Å; Y383-K385 HydrophobicContact CE1-CG 4.48Å
386E86.7Confident92.8Very high117 Ų11715.1 Ų15.155%0.5477%0.07SC..THydrogen-bonded Turntrans-77.8-52.1-179.2-70.8-175.4178.900110.3R249 D384 N388R249-E386 HydrophobicContact CG-CB 4.33Å; R249-E386 HydrophobicContact CG-CG 3.95Å; R249-E386 IonicContact CZ-OE2 3.91Å; R249-E386 IonicContact NE-OE2 2.61Å; R249-E386 IonicContact NH1-OE2 2.87Å; D384-E386 VanDerWaalsContact C-N 3.33Å; D384-E386 PolarHBondContact OD1-N 2.98Å; D384-E386 WeakPolarHBondContact OD1-CB 3.37Å; E386-N388 VanDerWaalsContact C-N 3.3Å; E386-N388 PolarHBondContact O-N 3.17Å; E386-N388 PolarHBondContact O-ND2 3.15Å
387L84.4Confident92.7Very high26 Ų2616.1 Ų16.114%0.1368%0.076CC..THydrogen-bonded Turntrans-78.5-17.6179.8-62.6-178.1000113.1L95 D384 L389L95-L387 HydrophobicContact CD2-CD1 3.91Å; L95-L387 HydrophobicContact CG-CD1 4.29Å; D384-L387 HydrophobicContact CB-CB 4.45Å; D384-L387 PolarHBondContact OD1-N 3.17Å; D384-L387 WeakPolarHBondContact OD2-CD1 3.37Å; D384-L387 WeakPolarHBondContact OD2-CG 3.33Å; L387-L389 HydrophobicContact CB-CB 4.37Å; L387-L389 HydrophobicContact CG-CD1 4.46Å; L387-L389 HydrophobicContact CD1-CD1 4Å; L387-L389 HydrophobicContact CB-CG 3.82Å; L387-L389 HydrophobicContact CB-CD1 3.64Å
388N86.8Confident92.6Very high34 Ų3420.2 Ų20.218%0.1829%0.094CC..THydrogen-bonded Turntrans59.650.9-171.7-60.5-85.4000111.9N13 Q277 Y383 D384 E386N13-N388 PolarHBondContact ND2-O 3.22Å; N13-N388 PolarHBondContact OD1-O 2.95Å; Q277-N388 HydrophobicContact CG-CB 4.41Å; Q277-N388 WeakPolarHBondContact CG-OD1 3.49Å; Q277-N388 PolarHBondContact NE2-OD1 3.5Å; Y383-N388 WeakPolarHBondContact OH-CA 3.39Å; Y383-N388 VanDerWaalsContact OH-CB 3.26Å; Y383-N388 WeakPolarHBondContact OH-CB 3.48Å; Y383-N388 PolarHBondContact OH-OD1 3.11Å; D384-N388 WeakPolarHBondContact O-CA 3.26Å; D384-N388 PolarHBondContact O-N 2.93Å; E386-N388 VanDerWaalsContact C-N 3.3Å; E386-N388 PolarHBondContact O-N 3.17Å; E386-N388 PolarHBondContact O-ND2 3.15Å
389L88Confident92.3Very high3 Ų320.4 Ų20.42%0.01610%0.095CC..EExtended strand (participates in β ladder)trans-126.9144.2-175.5-63.5174.1000111.1P12 N13 F36 Y383 D384 L387 L391P12-L389 HydrophobicContact CB-CD1 4.02Å; P12-L389 HydrophobicContact CB-CD2 4.01Å; P12-L389 HydrophobicContact CG-CD1 4.35Å; N13-L389 HydrophobicContact CB-CD2 4.48Å; N13-L389 WeakPolarHBondContact OD1-CD2 3.43Å; F36-L389 HydrophobicContact CE1-CD1 4.16Å; F36-L389 HydrophobicContact CZ-CB 4.01Å; F36-L389 HydrophobicContact CZ-CD1 3.76Å; F36-L389 HydrophobicContact CZ-CG 4.4Å; Y383-L389 WeakPolarHBondContact CA-O 3.37Å; Y383-L389 WeakPolarHBondContact CD2-O 3.38Å; D384-L389 PolarHBondContact O-N 3.39Å; D384-L389 PolarHBondContact N-O 3.45Å; L387-L389 HydrophobicContact CB-CB 4.37Å; L387-L389 HydrophobicContact CG-CD1 4.46Å; L387-L389 HydrophobicContact CD1-CD1 4Å; L387-L389 HydrophobicContact CB-CG 3.82Å; L387-L389 HydrophobicContact CB-CD1 3.64Å; L389-L391 PolarHBondContact O-N 3.02Å
390S91.4Very high91.6Very high3 Ų324.1 Ų24.12%0.02111%0.114CC..EExtended strand (participates in β ladder)trans-87.7105.9169.8-60.60000109.2V382V382-S390 CarbonylContact O-C 3.47Å
391L91.1Very high90.3Very high0 Ų032.5 Ų32.50%015%0.153CC..EExtended strand (participates in β ladder)trans-67.7-39.2176.3-58.5-171.8000111.6S34 F36 L95 I110 F189 F191 F250 V382 D384 L389S34-L391 VanDerWaalsContact CB-O 3.24Å; S34-L391 WeakPolarHBondContact CB-O 3.35Å; S34-L391 PolarHBondContact OG-O 3.32Å; F36-L391 HydrophobicContact CD2-CD2 4.07Å; F36-L391 HydrophobicContact CE2-CD2 3.56Å; F36-L391 HydrophobicContact CZ-CD2 3.93Å; L95-L391 HydrophobicContact CD2-CD2 3.93Å; I110-L391 HydrophobicContact CD1-CD1 3.84Å; F189-L391 HydrophobicContact CE1-CB 4.24Å; F191-L391 HydrophobicContact CD2-CD1 3.91Å; F191-L391 HydrophobicContact CE2-CD1 4.2Å; F250-L391 HydrophobicContact CD1-CD1 3.74Å; F250-L391 HydrophobicContact CE1-CD1 3.61Å; V382-L391 HydrophobicContact CB-CB 4.38Å; V382-L391 HydrophobicContact CG1-CB 4.26Å; V382-L391 HydrophobicContact CG1-CD1 4.26Å; V382-L391 PolarHBondContact O-N 3.44Å; D384-L391 HydrophobicContact CB-CD2 4.27Å; D384-L391 HydrophobicContact CB-CG 4.3Å; L389-L391 PolarHBondContact O-N 3.02Å
392F92.8Very high90Very high1 Ų134 Ų340%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-134.4145.7171.7-76-85.2000109.9V32 T33 F189 F191 D341 M350 F381 V382V32-F392 HydrophobicContact CG2-CD1 3.6Å; V32-F392 HydrophobicContact CG2-CE1 4.19Å; V32-F392 HydrophobicContact CG2-CG 4.48Å; T33-F392 WeakPolarHBondContact O-CA 3.28Å; F189-F392 HydrophobicContact CD1-CD2 4.35Å; F189-F392 HydrophobicContact CD1-CE1 4.24Å; F189-F392 AromaticContact CD1-CE2 3.49Å; F189-F392 HydrophobicContact CD1-CE2 3.49Å; F189-F392 VanDerWaalsContact CD1-CE2 3.49Å; F189-F392 AromaticContact CD1-CZ 3.46Å; F189-F392 HydrophobicContact CD1-CZ 3.46Å; F189-F392 VanDerWaalsContact CD1-CZ 3.46Å; F189-F392 HydrophobicContact CE1-CD2 4.14Å; F189-F392 AromaticContact CE1-CE2 3.52Å; F189-F392 HydrophobicContact CE1-CE2 3.52Å; F189-F392 HydrophobicContact CE1-CZ 4.01Å; F189-F392 WeakPolarHBondContact O-CZ 3.47Å; F191-F392 HydrophobicContact CB-CD2 4.08Å; F191-F392 HydrophobicContact CB-CE2 3.54Å; D341-F392 HydrophobicContact CB-CE1 4.13Å; M350-F392 HydrophobicContact CE-CD2 4.26Å; M350-F392 HydrophobicContact CE-CE2 4.1Å; F381-F392 WeakPolarHBondContact CA-O 3.2Å; F381-F392 WeakPolarHBondContact CB-O 3.43Å; V382-F392 HydrophobicContact CB-CB 4.1Å; V382-F392 HydrophobicContact CB-CD2 4.26Å; V382-F392 HydrophobicContact CG2-CB 4.15Å; V382-F392 HydrophobicContact CG2-CD2 4.32Å; V382-F392 PolarHBondContact N-O 3.3Å; V382-F392 PolarHBondContact O-N 3.43Å
393A94.4Very high89.7Confident0 Ų035.7 Ų35.70%017%0.168CC..EExtended strand (participates in β ladder)trans-124.1136.3165.500000108.8I20 V32 T33 L270 F381I20-A393 HydrophobicContact CD1-CB 3.99Å; I20-A393 HydrophobicContact CG1-CB 4.19Å; I20-A393 HydrophobicContact CG2-CB 3.75Å; V32-A393 CarbonylContact C-O 3.58Å; V32-A393 WeakPolarHBondContact CA-O 3.09Å; T33-A393 PolarHBondContact N-O 3.2Å; T33-A393 PolarHBondContact O-N 3.07Å; L270-A393 HydrophobicContact CD2-CB 3.88Å; F381-A393 HydrophobicContact CD1-CB 3.6Å; F381-A393 HydrophobicContact CE1-CB 3.49Å; F381-A393 VanDerWaalsContact CE1-CB 3.49Å
394A94.3Very high89.5Confident1 Ų137.4 Ų37.41%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-139137.9178.100000112.3L31 V32 L297 I379 C380 V396L31-A394 CarbonylContact O-C 3.45Å; L31-A394 WeakPolarHBondContact O-CA 3.21Å; L31-A394 WeakPolarHBondContact O-CB 3.44Å; V32-A394 HydrophobicContact CB-CB 4.16Å; V32-A394 HydrophobicContact CG2-CB 4.36Å; L297-A394 HydrophobicContact CD1-CB 4.2Å; I379-A394 CarbonylContact C-O 3.59Å; I379-A394 VanDerWaalsContact CA-O 3.31Å; I379-A394 WeakPolarHBondContact CA-O 3.24Å; C380-A394 PolarHBondContact N-O 3.27Å; C380-A394 PolarHBondContact O-N 2.95Å; A394-V396 HydrophobicContact CB-CG2 4.44Å
395R94.2Very high89.3Confident34 Ų3439.6 Ų39.613%0.12819%0.187CC..EExtended strand (participates in β ladder)trans-103.2117.1166.2-177.7175.663.9-147.5-8107.4L24 T27 G29 N30 L31 L270 I397L24-R395 HydrophobicContact CD2-CB 4.18Å; T27-R395 PolarHBondContact O-NH2 2.87Å; G29-R395 PolarHBondContact O-NE 2.68Å; G29-R395 PolarHBondContact O-NH2 2.62Å; N30-R395 VanDerWaalsContact CA-O 3.28Å; N30-R395 WeakPolarHBondContact CA-O 3.39Å; L31-R395 PolarHBondContact N-O 3.46Å; L31-R395 VanDerWaalsContact N-O 3.08Å; L31-R395 PolarHBondContact O-N 2.89Å; L270-R395 HydrophobicContact CD1-CB 4.38Å; R395-I397 HydrophobicContact CG-CD1 3.84Å; R395-I397 HydrophobicContact CG-CG1 4.21Å
396V95.1Very high89.3Confident0 Ų037.6 Ų37.60%018%0.179CC..EExtended strand (participates in β ladder)trans-108.597.6-176.1-1660000108.7F295 L297 P377 F378 A394 P399F295-V396 HydrophobicContact CE2-CG2 4.37Å; F295-V396 HydrophobicContact CZ-CG2 4.21Å; L297-V396 HydrophobicContact CD1-CB 4.5Å; L297-V396 HydrophobicContact CD1-CG1 4.42Å; L297-V396 HydrophobicContact CD1-CG2 3.83Å; P377-V396 WeakPolarHBondContact CA-O 3.32Å; F378-V396 HydrophobicContact CD1-CB 3.98Å; F378-V396 HydrophobicContact CD1-CG1 4.42Å; F378-V396 HydrophobicContact CD2-CB 4.32Å; F378-V396 HydrophobicContact CD2-CG2 4.14Å; F378-V396 HydrophobicContact CE1-CB 3.59Å; F378-V396 HydrophobicContact CE1-CG1 3.66Å; F378-V396 HydrophobicContact CE1-CG2 4.12Å; F378-V396 HydrophobicContact CE2-CB 3.98Å; F378-V396 HydrophobicContact CE2-CG2 3.58Å; F378-V396 HydrophobicContact CG-CB 4.34Å; F378-V396 HydrophobicContact CZ-CB 3.6Å; F378-V396 HydrophobicContact CZ-CG1 3.77Å; F378-V396 HydrophobicContact CZ-CG2 3.57Å; F378-V396 PolarHBondContact N-O 3.4Å; F378-V396 VanDerWaalsContact N-O 3.1Å; F378-V396 PolarHBondContact O-N 3.04Å; A394-V396 HydrophobicContact CB-CG2 4.44Å; V396-P399 HydrophobicContact CG1-CB 4.33Å
397I94.5Very high89.4Confident34 Ų3432.3 Ų32.317%0.17416%0.155CC..SBendtrans-88-38.7175.3-56.7-53.9000110.9N30 F209 I211 L263 P377 R395N30-I397 WeakPolarHBondContact OD1-CA 3.33Å; N30-I397 WeakPolarHBondContact OD1-CB 3.42Å; N30-I397 PolarHBondContact OD1-N 2.6Å; F209-I397 WeakPolarHBondContact CE1-O 3.35Å; I211-I397 HydrophobicContact CG2-CG2 3.86Å; L263-I397 HydrophobicContact CD1-CD1 3.31Å; P377-I397 HydrophobicContact CB-CD1 3.95Å; P377-I397 HydrophobicContact CG-CD1 4.46Å; P377-I397 HydrophobicContact CG-CG2 4.46Å; R395-I397 HydrophobicContact CG-CD1 3.84Å; R395-I397 HydrophobicContact CG-CG1 4.21Å
398K93.8Very high89.8Confident89 Ų8932.7 Ų32.739%0.38716%0.156SC..SBendtrans-136.8103.4-179.8-177.6-177.4176.3-164.10108.8N30 I211 I217 L400N30-K398 PolarHBondContact ND2-O 2.99Å; N30-K398 PolarHBondContact OD1-N 3.3Å; N30-K398 PolarHBondContact OD1-O 3.48Å; I211-K398 HydrophobicContact CD1-CB 4.19Å; I211-K398 HydrophobicContact CD1-CD 4.01Å; I211-K398 HydrophobicContact CD1-CG 3.76Å; I211-K398 HydrophobicContact CG1-CB 4.47Å; I211-K398 HydrophobicContact CG1-CG 4.41Å; I217-K398 HydrophobicContact CD1-CD 4.45Å; I217-K398 HydrophobicContact CD1-CG 3.68Å; K398-L400 HydrophobicContact CD-CD2 3.66Å; K398-L400 VanDerWaalsContact CE-CD2 3.48Å; K398-L400 HydrophobicContact CG-CD2 3.95Å; K398-L400 HydrophobicContact CG-CG 4.47Å; K398-L400 PolarHBondContact O-N 2.63Å
399P91.2Very high90Very high4 Ų432.6 Ų32.63%0.02615%0.154CC..  trans-61112.8172.918.1-24.1000109.4F209 V219 P293 F295 V396F209-P399 HydrophobicContact CB-CG 4.49Å; F209-P399 HydrophobicContact CD1-CG 3.98Å; F209-P399 HydrophobicContact CD2-CG 3.73Å; F209-P399 HydrophobicContact CE1-CG 4.05Å; F209-P399 HydrophobicContact CE2-CG 3.8Å; F209-P399 HydrophobicContact CG-CG 3.81Å; F209-P399 HydrophobicContact CZ-CG 3.94Å; V219-P399 HydrophobicContact CG1-CG 4.09Å; V219-P399 HydrophobicContact CG2-CG 4.22Å; P293-P399 HydrophobicContact CB-CB 3.93Å; P293-P399 HydrophobicContact CB-CG 4.02Å; P293-P399 HydrophobicContact CG-CB 4.38Å; P293-P399 HydrophobicContact CG-CG 4.37Å; F295-P399 HydrophobicContact CB-CB 3.69Å; F295-P399 HydrophobicContact CD1-CB 4.41Å; F295-P399 HydrophobicContact CG-CB 4.3Å; V396-P399 HydrophobicContact CG1-CB 4.33Å
400L81.2Confident90.2Very high77 Ų7735.1 Ų35.140%0.40317%0.165SC..  trans-97.3150.1177.1-64.6174.2000108.6F295 K296 K398F295-L400 CarbonylContact C-O 3.34Å; F295-L400 WeakPolarHBondContact CA-O 3.38Å; F295-L400 WeakPolarHBondContact CB-O 3.47Å; K296-L400 PolarHBondContact N-O 3.28Å; K398-L400 HydrophobicContact CD-CD2 3.66Å; K398-L400 VanDerWaalsContact CE-CD2 3.48Å; K398-L400 HydrophobicContact CG-CD2 3.95Å; K398-L400 HydrophobicContact CG-CG 4.47Å; K398-L400 PolarHBondContact O-N 2.63Å
401Q68.4Low90.1Very high178 Ų17838 Ų3883%0.83218%0.178SC*.  trans-940174.6-71.3-178.610.600111.5P220 K296P220-Q401 HydrophobicContact CG-CG 4.4Å; K296-Q401 WeakPolarHBondContact CB-OXT 3.37Å

Retrieved 401 of 401 residues in 157.9 ms (Link to these results)

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