A0A060VSK4_ONCMY Loading...

Methyltransferase-like protein 5

AlphaFold DB , UniProt , Accession A0A060VSK4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mettl5, Length 208 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
1M91.8Very high96.6Very high95 Ų9574.1 Ų74.147%0.46836%0.36SS..  0145.10-175.1177.1-66.300110.3E5 L6 M68 L69M1-E5 HydrophobicContact CG-CB 3.87Å; M1-L6 HydrophobicContact CG-CB 4.37Å; M1-L6 HydrophobicContact SD-CB 3.83Å; M1-L6 HydrophobicContact SD-CD1 4.01Å; M1-M68 HydrophobicContact CE-CB 4.14Å; M1-M68 HydrophobicContact CE-CE 3.71Å; M1-M68 HydrophobicContact SD-CE 4.2Å; M1-L69 HydrophobicContact CB-CD2 4.25Å
2K95.5Very high96.7Very high139 Ų13978.6 Ų78.660%0.60438%0.38SS*.  trans-82.3155.5175.5-64.9178.5-176.8166.10111.8K4 E5 L6K2-K4 VanDerWaalsContact C-N 3.35Å; K2-K4 PolarHBondContact O-N 2.7Å; K2-E5 HydrophobicContact CB-CG 4.24Å; K2-E5 PolarHBondContact N-OE2 3.4Å; K2-E5 WeakPolarHBondContact O-CB 3.16Å; K2-E5 PolarHBondContact O-N 3.26Å; K2-L6 PolarHBondContact O-N 2.9Å
3L94.4Very high96.8Very high55 Ų5573.7 Ų73.729%0.28836%0.358SS..Hα-helixtrans-51.8-47.3180176.264.1000113.6E5 L6 E7 A34 Y38L3-E5 VanDerWaalsContact C-N 3.32Å; L3-E5 PolarHBondContact O-N 3.24Å; L3-L6 PolarHBondContact O-N 3.09Å; L3-E7 PolarHBondContact O-N 2.71Å; L3-A34 VanDerWaalsContact CD1-C 3.47Å; L3-A34 HydrophobicContact CD1-CB 3.86Å; L3-A34 WeakPolarHBondContact CD1-O 3.43Å; L3-Y38 HydrophobicContact CB-CD1 4.25Å; L3-Y38 HydrophobicContact CB-CD2 3.81Å; L3-Y38 HydrophobicContact CB-CE1 4.39Å; L3-Y38 HydrophobicContact CB-CE2 3.95Å; L3-Y38 HydrophobicContact CB-CG 3.97Å; L3-Y38 HydrophobicContact CD1-CD1 4.42Å; L3-Y38 HydrophobicContact CD1-CD2 4.32Å; L3-Y38 HydrophobicContact CD1-CG 3.88Å; L3-Y38 HydrophobicContact CG-CG 4.47Å
4K95.6Very high96.9Very high179 Ų17973 Ų7378%0.77836%0.357SS*.Hα-helixtrans-68.2-30.7-179.3-71.5-170.9175.5-1750113.4K2 S8K2-K4 VanDerWaalsContact C-N 3.35Å; K2-K4 PolarHBondContact O-N 2.7Å; K4-S8 WeakPolarHBondContact O-CB 3.45Å; K4-S8 PolarHBondContact O-N 3.44Å
5E97.9Very high96.8Very high92 Ų9271.1 Ų71.143%0.4336%0.357SS..Hα-helixtrans-69.6-47.3176.2-67.3160.5-173.700109.1M1 K2 L3 E7 S8 C9M1-E5 HydrophobicContact CG-CB 3.87Å; K2-E5 HydrophobicContact CB-CG 4.24Å; K2-E5 PolarHBondContact N-OE2 3.4Å; K2-E5 WeakPolarHBondContact O-CB 3.16Å; K2-E5 PolarHBondContact O-N 3.26Å; L3-E5 VanDerWaalsContact C-N 3.32Å; L3-E5 PolarHBondContact O-N 3.24Å; E5-E7 PolarHBondContact O-N 3.39Å; E5-S8 WeakPolarHBondContact O-CB 3.33Å; E5-S8 PolarHBondContact O-N 2.96Å; E5-C9 PolarHBondContact O-N 3.03Å; E5-C9 PolarHBondContact O-SG 2.97Å; E5-C9 VanDerWaalsContact O-SG 3.34Å
6L98Very high96.6Very high0 Ų068.6 Ų68.60%034%0.343CS..Hα-helixtrans-56.8-48.9174.4179.863.4000111.6M1 K2 L3 S8 C9 L10 A34 L37 M68 L69M1-L6 HydrophobicContact CG-CB 4.37Å; M1-L6 HydrophobicContact SD-CB 3.83Å; M1-L6 HydrophobicContact SD-CD1 4.01Å; K2-L6 PolarHBondContact O-N 2.9Å; L3-L6 PolarHBondContact O-N 3.09Å; L6-S8 VanDerWaalsContact C-N 3.31Å; L6-S8 PolarHBondContact O-N 3.06Å; L6-C9 PolarHBondContact O-N 3.24Å; L6-L10 HydrophobicContact CD1-CD1 4.21Å; L6-L10 HydrophobicContact CD1-CG 4.22Å; L6-L10 HydrophobicContact CG-CD1 4.09Å; L6-L10 HydrophobicContact CG-CG 4.45Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 2.91Å; L6-A34 HydrophobicContact CD2-CB 4.22Å; L6-A34 HydrophobicContact CG-CB 4.16Å; L6-L37 HydrophobicContact CD2-CB 4.18Å; L6-M68 HydrophobicContact CD1-CB 4.49Å; L6-L69 HydrophobicContact CD1-CG 4.47Å; L6-L69 HydrophobicContact CD2-CD1 3.86Å; L6-L69 HydrophobicContact CD2-CD2 4.37Å; L6-L69 HydrophobicContact CD2-CG 4.27Å
7E97.8Very high96.2Very high44 Ų4472.6 Ų72.621%0.20636%0.361CS..Hα-helixtrans-58-43.9177.1-173.1177.1154.400111.9L3 E5 C9 L10 Q11 P30 H31 A34L3-E7 PolarHBondContact O-N 2.71Å; E5-E7 PolarHBondContact O-N 3.39Å; E7-C9 VanDerWaalsContact C-N 3.31Å; E7-C9 PolarHBondContact O-N 3.08Å; E7-L10 PolarHBondContact O-N 3.37Å; E7-Q11 WeakPolarHBondContact O-CG 3.18Å; E7-Q11 PolarHBondContact O-N 3.46Å; E7-Q11 VanDerWaalsContact O-N 3.12Å; E7-P30 HydrophobicContact CG-CB 4.33Å; E7-H31 IonicContact OE1-CG 3.95Å; E7-H31 IonicContact OE1-ND1 3.02Å; E7-H31 IonicContact OE2-CE1 2.72Å; E7-H31 IonicContact OE2-CG 3.97Å; E7-H31 IonicContact OE2-ND1 2.66Å; E7-H31 PolarHBondContact OE2-ND1 2.96Å; E7-A34 HydrophobicContact CB-CB 3.66Å; E7-A34 HydrophobicContact CG-CB 4.26Å
8S97.9Very high96Very high58 Ų5878.1 Ų78.141%0.40639%0.385SS..Hα-helixtrans-64.9-33.9178.6-172.80000112.9K4 E5 L6K4-S8 WeakPolarHBondContact O-CB 3.45Å; K4-S8 PolarHBondContact O-N 3.44Å; E5-S8 WeakPolarHBondContact O-CB 3.33Å; E5-S8 PolarHBondContact O-N 2.96Å; L6-S8 VanDerWaalsContact C-N 3.31Å; L6-S8 PolarHBondContact O-N 3.06Å
9C98Very high95.8Very high31 Ų3175.9 Ų75.921%0.20938%0.378CS..Hα-helixtrans-70.6-45.2174.2-69.10000110.9E5 L6 E7 Q11 Q12 M68 F94E5-C9 PolarHBondContact O-N 3.03Å; E5-C9 PolarHBondContact O-SG 2.97Å; E5-C9 VanDerWaalsContact O-SG 3.34Å; L6-C9 PolarHBondContact O-N 3.24Å; E7-C9 VanDerWaalsContact C-N 3.31Å; E7-C9 PolarHBondContact O-N 3.08Å; C9-Q11 PolarHBondContact O-N 3Å; C9-Q11 VanDerWaalsContact O-N 3.16Å; C9-Q12 WeakPolarHBondContact O-CB 3.45Å; C9-Q12 PolarHBondContact O-N 3.27Å; C9-M68 HydrophobicContact CB-CE 3.32Å; C9-M68 HydrophobicContact CB-SD 3.84Å; C9-M68 WeakPolarHBondContact SG-CE 3.37Å; C9-F94 HydrophobicContact CB-CE1 4.3Å; C9-F94 WeakPolarHBondContact O-CZ 3.42Å
10L98Very high95.7Very high2 Ų275.8 Ų75.81%0.0138%0.375CS..Hα-helixtrans-64.2-20.8179.8-67.5179.9000113.7L6 E7 Q12 V13 P30 A33 A34 L37 V61 I64L6-L10 HydrophobicContact CD1-CD1 4.21Å; L6-L10 HydrophobicContact CD1-CG 4.22Å; L6-L10 HydrophobicContact CG-CD1 4.09Å; L6-L10 HydrophobicContact CG-CG 4.45Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 2.91Å; E7-L10 PolarHBondContact O-N 3.37Å; L10-Q12 PolarHBondContact O-N 2.84Å; L10-V13 HydrophobicContact CD2-CG2 4.22Å; L10-V13 PolarHBondContact O-N 3.22Å; L10-P30 HydrophobicContact CB-CB 3.91Å; L10-A33 HydrophobicContact CD1-CB 3.68Å; L10-A34 HydrophobicContact CD1-CB 4.22Å; L10-L37 HydrophobicContact CD1-CD1 4.38Å; L10-V61 HydrophobicContact CD2-CG1 4.26Å; L10-V61 VanDerWaalsContact CD2-O 3.3Å; L10-V61 WeakPolarHBondContact CD2-O 3.34Å; L10-I64 HydrophobicContact CD2-CG2 4.28Å
11Q97.4Very high95.3Very high120 Ų12076 Ų7656%0.56138%0.377SS*.THydrogen-bonded Turntrans-66.4-19.7171.7-75.1172.32.200113.8E7 C9 P30E7-Q11 WeakPolarHBondContact O-CG 3.18Å; E7-Q11 PolarHBondContact O-N 3.46Å; E7-Q11 VanDerWaalsContact O-N 3.12Å; C9-Q11 PolarHBondContact O-N 3Å; C9-Q11 VanDerWaalsContact O-N 3.16Å; Q11-P30 HydrophobicContact CB-CG 4.39Å; Q11-P30 HydrophobicContact CG-CB 3.72Å; Q11-P30 HydrophobicContact CG-CG 3.82Å
12Q97.8Very high95.2Very high128 Ų12877.1 Ų77.160%0.59838%0.384SS*.THydrogen-bonded Turntrans-92.2-3.8-179.8-58.3178.349.900112.7C9 L10 D14 F94C9-Q12 WeakPolarHBondContact O-CB 3.45Å; C9-Q12 PolarHBondContact O-N 3.27Å; L10-Q12 PolarHBondContact O-N 2.84Å; Q12-D14 PolarHBondContact O-N 3.23Å; Q12-F94 HydrophobicContact CB-CE2 4.45Å; Q12-F94 HydrophobicContact CB-CZ 3.92Å
13V98.1Very high94.9Very high15 Ų1573.8 Ų73.89%0.09137%0.372CS..SBendtrans-72.5118.4177.8179.60000109L10 V61 I64 N90 F94L10-V13 HydrophobicContact CD2-CG2 4.22Å; L10-V13 PolarHBondContact O-N 3.22Å; V13-V61 HydrophobicContact CB-CG2 4.32Å; V13-V61 HydrophobicContact CG1-CG2 3.81Å; V13-I64 HydrophobicContact CB-CD1 4.41Å; V13-I64 HydrophobicContact CG1-CD1 3.68Å; V13-I64 HydrophobicContact CG2-CB 4.48Å; V13-I64 HydrophobicContact CG2-CD1 3.82Å; V13-I64 HydrophobicContact CG2-CG2 4.05Å; V13-N90 HydrophobicContact CG1-CB 4.46Å; V13-N90 WeakPolarHBondContact CG1-ND2 3.29Å; V13-F94 HydrophobicContact CG2-CE2 4.05Å; V13-F94 HydrophobicContact CG2-CZ 3.76Å
14D97.9Very high94.7Very high64 Ų6472 Ų7234%0.34236%0.362SS..  trans-63.3142.4175.4-75-29.8000110.8Q12 C59 I86 R89 N90Q12-D14 PolarHBondContact O-N 3.23Å; D14-C59 VanDerWaalsContact O-CB 3.22Å; D14-C59 WeakPolarHBondContact O-CB 3.38Å; D14-I86 HydrophobicContact CB-CG2 3.98Å; D14-R89 IonicContact OD2-CZ 3.02Å; D14-R89 IonicContact OD2-NE 3.94Å; D14-R89 PolarHBondContact OD2-NE 3.1Å; D14-R89 IonicContact OD2-NH2 3.99Å; D14-R89 PolarHBondContact OD2-NH2 2.93Å; D14-N90 VanDerWaalsContact CB-OD1 3.32Å; D14-N90 WeakPolarHBondContact CB-OD1 3.34Å; D14-N90 PolarHBondContact N-OD1 2.88Å; D14-N90 PolarHBondContact O-ND2 2.53Å
15A95.7Very high94.5Very high44 Ų4464 Ų6436%0.36433%0.328SS..  trans-108.2-177.8179.500000111.8E17 P27 C59A15-E17 PolarHBondContact O-N 3.06Å; A15-P27 HydrophobicContact CB-CB 4.24Å; A15-P27 HydrophobicContact CB-CG 3.96Å; A15-C59 VanDerWaalsContact C-SG 3.55Å
16F94.6Very high94.1Very high32 Ų3261.2 Ų61.214%0.1431%0.313CS..  trans-53.8124.7-177.8-55.4-82.9000112.8P19 Q25 P27 C59 A83F16-P19 HydrophobicContact CB-CB 3.9Å; F16-P19 HydrophobicContact CG-CB 4.37Å; F16-Q25 HydrophobicContact CD1-CB 4.02Å; F16-Q25 HydrophobicContact CD1-CG 4.07Å; F16-Q25 HydrophobicContact CD2-CB 4.15Å; F16-Q25 HydrophobicContact CE1-CB 3.83Å; F16-Q25 VanDerWaalsContact CE1-CD 3.46Å; F16-Q25 HydrophobicContact CE1-CG 3.57Å; F16-Q25 HydrophobicContact CE2-CB 3.97Å; F16-Q25 HydrophobicContact CE2-CG 4.48Å; F16-Q25 HydrophobicContact CG-CB 4.18Å; F16-Q25 HydrophobicContact CZ-CB 3.8Å; F16-Q25 HydrophobicContact CZ-CG 3.81Å; F16-P27 HydrophobicContact CE2-CB 4.46Å; F16-C59 PolarHBondContact N-SG 2.81Å; F16-A83 HydrophobicContact CD1-CB 4.2Å; F16-A83 HydrophobicContact CE1-CB 3.69Å
17E89.8Confident93.8Very high136 Ų13663.7 Ų63.764%0.63633%0.329SS*.SBendtrans-71.7-46173.3-64.5177.3-176.800110.9A15 I86 R89A15-E17 PolarHBondContact O-N 3.06Å; E17-I86 HydrophobicContact CB-CD1 4.45Å; E17-I86 HydrophobicContact CG-CD1 3.99Å; E17-R89 IonicContact OE1-CZ 4Å; E17-R89 IonicContact OE1-NH1 3.95Å; E17-R89 PolarHBondContact OE1-NH1 2.73Å; E17-R89 VanDerWaalsContact OE1-NH1 3.12Å; E17-R89 IonicContact OE1-NH2 3.6Å
18E92.3Very high93.6Very high171 Ų17162.1 Ų62.180%0.79932%0.323SS*.SBendtrans-129.582.6176.4-64.2-160.4137.600111.4K20E18-K20 PolarHBondContact O-N 2.83Å
19P92.6Very high93.4Very high38 Ų3861.3 Ų61.325%0.24732%0.317CS..  trans-66.8129.8-172.925.4-34.1000113.2F16 Q25 Y188F16-P19 HydrophobicContact CB-CB 3.9Å; F16-P19 HydrophobicContact CG-CB 4.37Å; P19-Q25 HydrophobicContact CB-CB 4.1Å; P19-Y188 HydrophobicContact CB-CE1 4.01Å; P19-Y188 HydrophobicContact CG-CD1 4.45Å; P19-Y188 HydrophobicContact CG-CE1 4.03Å
20K92.8Very high93.2Very high73 Ų7361.7 Ų61.732%0.31732%0.319SS..  trans-87.4108.4179.9-63.1169.5-171.8163.90110.8E18 L22 L23 E24 Q25 D80 D82E18-K20 PolarHBondContact O-N 2.83Å; K20-L22 VanDerWaalsContact C-N 3.29Å; K20-L22 PolarHBondContact O-N 3.19Å; K20-L23 HydrophobicContact CB-CB 4.28Å; K20-L23 HydrophobicContact CB-CD1 4.14Å; K20-L23 HydrophobicContact CB-CG 4.21Å; K20-L23 HydrophobicContact CD-CD1 3.98Å; K20-L23 PolarHBondContact O-N 3.11Å; K20-E24 PolarHBondContact O-N 3.43Å; K20-Q25 PolarHBondContact O-N 3.34Å; K20-D80 WeakPolarHBondContact CD-OD2 3.4Å; K20-D80 WeakPolarHBondContact CE-OD2 3.36Å; K20-D80 IonicContact NZ-OD1 3.3Å; K20-D80 PolarHBondContact NZ-OD1 2.95Å; K20-D80 IonicContact NZ-OD2 3.12Å; K20-D80 PolarHBondContact NZ-OD2 3.23Å; K20-D82 IonicContact NZ-OD2 3.31Å; K20-D82 PolarHBondContact NZ-OD2 3.25Å
21I87.5Confident93Very high81 Ų8166.4 Ų66.442%0.41534%0.341SS..G310 helixtrans-58.9-39.6-176.6-59.7145.8000112.5L23 E24 Y188 F190I21-L23 PolarHBondContact O-N 3.34Å; I21-E24 PolarHBondContact O-N 2.95Å; I21-Y188 WeakPolarHBondContact CA-OH 3.26Å; I21-Y188 HydrophobicContact CB-CE1 4.18Å; I21-Y188 HydrophobicContact CB-CE2 4.48Å; I21-Y188 HydrophobicContact CD1-CD1 3.99Å; I21-Y188 HydrophobicContact CD1-CE1 4.23Å; I21-Y188 HydrophobicContact CD1-CG 4.38Å; I21-Y188 HydrophobicContact CG1-CD1 3.36Å; I21-Y188 HydrophobicContact CG1-CD2 4.06Å; I21-Y188 HydrophobicContact CG1-CE1 3.16Å; I21-Y188 HydrophobicContact CG1-CE2 3.89Å; I21-Y188 HydrophobicContact CG1-CG 3.85Å; I21-Y188 VanDerWaalsContact CG1-CZ 3.46Å; I21-Y188 HydrophobicContact CG2-CE2 4.36Å; I21-F190 HydrophobicContact CD1-CE1 3.38Å; I21-F190 HydrophobicContact CD1-CZ 3.44Å; I21-F190 VanDerWaalsContact CD1-CZ 3.44Å; I21-F190 HydrophobicContact CG1-CE1 4.31Å; I21-F190 HydrophobicContact CG1-CZ 3.95Å; I21-F190 HydrophobicContact CG2-CZ 4.49Å
22L89.5Confident92.8Very high118 Ų11861 Ų6162%0.61832%0.316SS*.G310 helixtrans-67.6-19.1-179.1-63.8179.4000112.7K20 N132K20-L22 VanDerWaalsContact C-N 3.29Å; K20-L22 PolarHBondContact O-N 3.19Å; L22-N132 PolarHBondContact O-ND2 3.38Å
23L89.8Confident92.8Very high68 Ų6854.9 Ų54.936%0.35629%0.288SS..G310 helixtrans-96.92.1173.7-61-177.5000112.3K20 I21 Q25 I79 D80K20-L23 HydrophobicContact CB-CB 4.28Å; K20-L23 HydrophobicContact CB-CD1 4.14Å; K20-L23 HydrophobicContact CB-CG 4.21Å; K20-L23 HydrophobicContact CD-CD1 3.98Å; K20-L23 PolarHBondContact O-N 3.11Å; I21-L23 PolarHBondContact O-N 3.34Å; L23-Q25 VanDerWaalsContact C-N 3.27Å; L23-Q25 HydrophobicContact CB-CG 3.99Å; L23-Q25 PolarHBondContact O-N 3.32Å; L23-I79 HydrophobicContact CD1-CG2 3.96Å; L23-I79 HydrophobicContact CD2-CG2 4.02Å; L23-D80 HydrophobicContact CD1-CB 4.06Å
24E89.8Confident92.7Very high18 Ų1854.2 Ų54.28%0.08428%0.283CS..THydrogen-bonded Turntrans53.942.8-176.1-61.6-176.8-146.200112.3K20 I21 Y26 P126 F127 G128 T129 N132K20-E24 PolarHBondContact O-N 3.43Å; I21-E24 PolarHBondContact O-N 2.95Å; E24-Y26 HydrophobicContact CB-CE1 3.99Å; E24-Y26 WeakPolarHBondContact O-CD1 3.44Å; E24-Y26 WeakPolarHBondContact O-CE1 3.5Å; E24-Y26 PolarHBondContact O-N 3.23Å; E24-P126 HydrophobicContact CB-CB 3.96Å; E24-P126 HydrophobicContact CG-CB 4.31Å; E24-F127 PolarHBondContact OE2-N 2.84Å; E24-G128 PolarHBondContact OE1-N 3.18Å; E24-T129 PolarHBondContact OE1-N 3.46Å; E24-T129 PolarHBondContact OE1-OG1 3.3Å; E24-N132 WeakPolarHBondContact OE1-CB 3.48Å; E24-N132 PolarHBondContact OE1-ND2 3.2Å
25Q92.1Very high92.6Very high11 Ų1152.7 Ų52.75%0.05128%0.278CS..  trans-72.6101.8-178.7-76.2179.9-16.700112.2F16 P19 K20 L23 D80 Y188F16-Q25 HydrophobicContact CD1-CB 4.02Å; F16-Q25 HydrophobicContact CD1-CG 4.07Å; F16-Q25 HydrophobicContact CD2-CB 4.15Å; F16-Q25 HydrophobicContact CE1-CB 3.83Å; F16-Q25 VanDerWaalsContact CE1-CD 3.46Å; F16-Q25 HydrophobicContact CE1-CG 3.57Å; F16-Q25 HydrophobicContact CE2-CB 3.97Å; F16-Q25 HydrophobicContact CE2-CG 4.48Å; F16-Q25 HydrophobicContact CG-CB 4.18Å; F16-Q25 HydrophobicContact CZ-CB 3.8Å; F16-Q25 HydrophobicContact CZ-CG 3.81Å; P19-Q25 HydrophobicContact CB-CB 4.1Å; K20-Q25 PolarHBondContact O-N 3.34Å; L23-Q25 VanDerWaalsContact C-N 3.27Å; L23-Q25 HydrophobicContact CB-CG 3.99Å; L23-Q25 PolarHBondContact O-N 3.32Å; Q25-D80 PolarHBondContact NE2-OD2 2.89Å; Q25-Y188 PolarHBondContact O-OH 2.93Å
26Y89.5Confident92.7Very high33 Ų3350.6 Ų50.613%0.12926%0.26CS..  trans-137.1133.9165.250.7-90.6000108.5E24 F127 Y182 L184E24-Y26 HydrophobicContact CB-CE1 3.99Å; E24-Y26 WeakPolarHBondContact O-CD1 3.44Å; E24-Y26 WeakPolarHBondContact O-CE1 3.5Å; E24-Y26 PolarHBondContact O-N 3.23Å; Y26-F127 HydrophobicContact CE2-CE2 4.02Å; Y26-F127 AromaticContact CZ-CD2 3.87Å; Y26-F127 AromaticContact CZ-CE2 3.71Å; Y26-F127 WeakPolarHBondContact OH-CD2 3.1Å; Y26-F127 WeakPolarHBondContact OH-CE2 3.26Å; Y26-Y182 HydrophobicContact CD2-CE1 4.49Å; Y26-Y182 HydrophobicContact CE2-CE1 4.45Å; Y26-L184 HydrophobicContact CD1-CD2 4.14Å; Y26-L184 HydrophobicContact CD2-CD2 3.83Å; Y26-L184 HydrophobicContact CG-CD2 3.58Å
27P91Very high92.9Very high52 Ų5249.1 Ų49.134%0.33825%0.254SS..PPolyproline II helixtrans-70146.2178.830.8-34.5000109.7A15 F16 S29 V61A15-P27 HydrophobicContact CB-CB 4.24Å; A15-P27 HydrophobicContact CB-CG 3.96Å; F16-P27 HydrophobicContact CE2-CB 4.46Å; P27-S29 PolarHBondContact O-N 3.44Å; P27-V61 HydrophobicContact CB-CG2 4.36Å
28T93.8Very high93.3Very high12 Ų1246.1 Ų46.17%0.07424%0.237CC..PPolyproline II helixtrans-60128.9163.5-53.60000108I32 A33 L62 N124T28-I32 HydrophobicContact CG2-CB 4.12Å; T28-I32 HydrophobicContact CG2-CG2 3.78Å; T28-A33 HydrophobicContact CG2-CB 3.78Å; T28-L62 HydrophobicContact CG2-CD2 4.14Å; T28-N124 WeakPolarHBondContact OG1-CB 3.36Å; T28-N124 PolarHBondContact OG1-ND2 2.96Å
29S93.1Very high93.5Very high41 Ų4139.6 Ų39.629%0.28721%0.209SC..PPolyproline II helixtrans-66.1147.3-179.571.50000110.6P27 H31 I32 A33P27-S29 PolarHBondContact O-N 3.44Å; S29-H31 PolarHBondContact O-N 2.95Å; S29-I32 PolarHBondContact O-N 3.26Å; S29-I32 VanDerWaalsContact O-N 3.09Å; S29-I32 WeakPolarHBondContact OG-CB 3.41Å; S29-I32 WeakPolarHBondContact OG-CG1 3.03Å; S29-I32 PolarHBondContact OG-N 2.88Å; S29-A33 WeakPolarHBondContact O-CB 3.5Å; S29-A33 PolarHBondContact O-N 3.04Å
30P95.3Very high93.8Very high38 Ų3837.8 Ų37.825%0.24720%0.197CC..Hα-helixtrans-53.5-40-178.6-30.136.4000113.4E7 L10 Q11 A34E7-P30 HydrophobicContact CG-CB 4.33Å; L10-P30 HydrophobicContact CB-CB 3.91Å; Q11-P30 HydrophobicContact CB-CG 4.39Å; Q11-P30 HydrophobicContact CG-CB 3.72Å; Q11-P30 HydrophobicContact CG-CG 3.82Å; P30-A34 WeakPolarHBondContact O-CB 3.49Å; P30-A34 PolarHBondContact O-N 3.24Å
31H93Very high94Very high101 Ų10135.5 Ų35.547%0.46819%0.188SC..Hα-helixtrans-62.7-48.5177.4-177.363.8000112.5E7 S29 A34 C35E7-H31 IonicContact OE1-CG 3.95Å; E7-H31 IonicContact OE1-ND1 3.02Å; E7-H31 IonicContact OE2-CE1 2.72Å; E7-H31 IonicContact OE2-CG 3.97Å; E7-H31 IonicContact OE2-ND1 2.66Å; E7-H31 PolarHBondContact OE2-ND1 2.96Å; S29-H31 PolarHBondContact O-N 2.95Å; H31-A34 PolarHBondContact O-N 2.76Å; H31-C35 WeakPolarHBondContact O-CB 3.26Å; H31-C35 PolarHBondContact O-N 3.08Å; H31-C35 PolarHBondContact O-SG 3.28Å; H31-C35 VanDerWaalsContact O-SG 3.39Å
32I93.1Very high94.4Very high7 Ų735.6 Ų35.64%0.03619%0.189CC..Hα-helixtrans-63.9-47.8178.8-66.1-75.5000110.2T28 S29 A34 C35 M36 L154 L180 Y182T28-I32 HydrophobicContact CG2-CB 4.12Å; T28-I32 HydrophobicContact CG2-CG2 3.78Å; S29-I32 PolarHBondContact O-N 3.26Å; S29-I32 VanDerWaalsContact O-N 3.09Å; S29-I32 WeakPolarHBondContact OG-CB 3.41Å; S29-I32 WeakPolarHBondContact OG-CG1 3.03Å; S29-I32 PolarHBondContact OG-N 2.88Å; I32-A34 PolarHBondContact O-N 3.17Å; I32-C35 PolarHBondContact O-N 3.24Å; I32-M36 VanDerWaalsContact O-CB 3.22Å; I32-M36 WeakPolarHBondContact O-CB 3.14Å; I32-M36 PolarHBondContact O-N 3.25Å; I32-L154 HydrophobicContact CG2-CD1 3.88Å; I32-L180 HydrophobicContact CD1-CB 3.73Å; I32-L180 HydrophobicContact CD1-CD1 3.8Å; I32-L180 HydrophobicContact CD1-CD2 4.4Å; I32-L180 HydrophobicContact CD1-CG 4.19Å; I32-L180 HydrophobicContact CG2-CD1 4.04Å; I32-Y182 HydrophobicContact CB-CE2 4.49Å; I32-Y182 HydrophobicContact CD1-CD2 4.31Å; I32-Y182 HydrophobicContact CD1-CE2 4.18Å; I32-Y182 HydrophobicContact CG1-CD2 4.41Å; I32-Y182 HydrophobicContact CG1-CE2 4.08Å; I32-Y182 HydrophobicContact CG2-CE2 3.87Å
33A97.2Very high94.8Very high0 Ų034.5 Ų34.50%019%0.187CC..Hα-helixtrans-59.6-46.6179.100000111.3L10 T28 S29 M36 L37 V61 L62L10-A33 HydrophobicContact CD1-CB 3.68Å; T28-A33 HydrophobicContact CG2-CB 3.78Å; S29-A33 WeakPolarHBondContact O-CB 3.5Å; S29-A33 PolarHBondContact O-N 3.04Å; A33-M36 PolarHBondContact O-N 3.21Å; A33-L37 VanDerWaalsContact O-CB 3.3Å; A33-L37 WeakPolarHBondContact O-CB 3.45Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.36Å; A33-L37 PolarHBondContact O-N 3.12Å; A33-V61 HydrophobicContact CB-CG1 3.67Å; A33-L62 HydrophobicContact CB-CD2 3.81Å
34A96.9Very high95.1Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-62.7-48.1178.100000111.8L3 L6 E7 L10 P30 H31 I32 M36 Y38L3-A34 VanDerWaalsContact CD1-C 3.47Å; L3-A34 HydrophobicContact CD1-CB 3.86Å; L3-A34 WeakPolarHBondContact CD1-O 3.43Å; L6-A34 HydrophobicContact CD2-CB 4.22Å; L6-A34 HydrophobicContact CG-CB 4.16Å; E7-A34 HydrophobicContact CB-CB 3.66Å; E7-A34 HydrophobicContact CG-CB 4.26Å; L10-A34 HydrophobicContact CD1-CB 4.22Å; P30-A34 WeakPolarHBondContact O-CB 3.49Å; P30-A34 PolarHBondContact O-N 3.24Å; H31-A34 PolarHBondContact O-N 2.76Å; I32-A34 PolarHBondContact O-N 3.17Å; A34-M36 VanDerWaalsContact C-N 3.33Å; A34-M36 PolarHBondContact O-N 3.19Å; A34-Y38 WeakPolarHBondContact O-CB 3.33Å; A34-Y38 PolarHBondContact O-N 3.02Å
35C95.5Very high95.5Very high33 Ų3337.6 Ų37.622%0.22320%0.202CC..Hα-helixtrans-60.6-42.4176.9-74.20000112.2H31 I32 T39H31-C35 WeakPolarHBondContact O-CB 3.26Å; H31-C35 PolarHBondContact O-N 3.08Å; H31-C35 PolarHBondContact O-SG 3.28Å; H31-C35 VanDerWaalsContact O-SG 3.39Å; I32-C35 PolarHBondContact O-N 3.24Å; C35-T39 WeakPolarHBondContact O-CB 3.19Å; C35-T39 PolarHBondContact O-N 3.33Å; C35-T39 VanDerWaalsContact O-N 3.16Å; C35-T39 PolarHBondContact O-OG1 2.84Å
36M97.8Very high95.8Very high0 Ų037.5 Ų37.50%020%0.202CC..Hα-helixtrans-61.8-60.6177.2177.6176.7173.900110.5I32 A33 A34 Y38 T39 I40 L62 I122 L154 F202I32-M36 VanDerWaalsContact O-CB 3.22Å; I32-M36 WeakPolarHBondContact O-CB 3.14Å; I32-M36 PolarHBondContact O-N 3.25Å; A33-M36 PolarHBondContact O-N 3.21Å; A34-M36 VanDerWaalsContact C-N 3.33Å; A34-M36 PolarHBondContact O-N 3.19Å; M36-Y38 PolarHBondContact O-N 2.8Å; M36-T39 WeakPolarHBondContact O-CB 3.38Å; M36-T39 PolarHBondContact O-N 3.5Å; M36-T39 VanDerWaalsContact O-N 3.11Å; M36-I40 HydrophobicContact CE-CD1 4.15Å; M36-I40 HydrophobicContact CG-CD1 3.92Å; M36-I40 VanDerWaalsContact O-CG1 3.29Å; M36-I40 WeakPolarHBondContact O-CG1 3.16Å; M36-I40 PolarHBondContact O-N 2.89Å; M36-L62 HydrophobicContact CE-CD1 4.5Å; M36-L62 HydrophobicContact SD-CD1 4.5Å; M36-L62 HydrophobicContact SD-CD2 4.16Å; M36-I122 HydrophobicContact CE-CB 4.27Å; M36-L154 HydrophobicContact SD-CD1 4.3Å; M36-L154 HydrophobicContact SD-CD2 4.27Å; M36-L154 HydrophobicContact SD-CG 4.17Å; M36-F202 HydrophobicContact CB-CZ 4.47Å; M36-F202 HydrophobicContact CE-CE2 4.03Å; M36-F202 HydrophobicContact CG-CD2 4.12Å; M36-F202 HydrophobicContact CG-CE1 4.27Å; M36-F202 HydrophobicContact CG-CE2 3.64Å; M36-F202 HydrophobicContact CG-CZ 3.73Å; M36-F202 HydrophobicContact SD-CD2 4.48Å; M36-F202 HydrophobicContact SD-CE2 4.31Å
37L98.6Very high96.3Very high0 Ų036 Ų360%020%0.196CC..Hα-helixtrans-63-41.8-175.4-68169.9000112.7L6 L10 A33 T39 I40 H41 I47 L62 A66 L69 I122L6-L37 HydrophobicContact CD2-CB 4.18Å; L10-L37 HydrophobicContact CD1-CD1 4.38Å; A33-L37 VanDerWaalsContact O-CB 3.3Å; A33-L37 WeakPolarHBondContact O-CB 3.45Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.36Å; A33-L37 PolarHBondContact O-N 3.12Å; L37-T39 VanDerWaalsContact C-N 3.26Å; L37-T39 PolarHBondContact O-N 2.87Å; L37-I40 PolarHBondContact O-N 3.18Å; L37-H41 WeakPolarHBondContact O-CB 3.14Å; L37-H41 PolarHBondContact O-N 3.34Å; L37-I47 HydrophobicContact CB-CD1 4.27Å; L37-I47 HydrophobicContact CD2-CD1 3.83Å; L37-L62 HydrophobicContact CD1-CD2 4.4Å; L37-L62 HydrophobicContact CG-CD2 4.35Å; L37-A66 HydrophobicContact CD2-CB 4.25Å; L37-L69 HydrophobicContact CB-CD1 3.79Å; L37-I122 HydrophobicContact CD2-CD1 3.92Å
38Y97.2Very high96.6Very high73 Ų7338.2 Ų38.229%0.28620%0.202SC..Hα-helixtrans-62-36176.2-169.3-90000111.8L3 A34 M36 N42L3-Y38 HydrophobicContact CB-CD1 4.25Å; L3-Y38 HydrophobicContact CB-CD2 3.81Å; L3-Y38 HydrophobicContact CB-CE1 4.39Å; L3-Y38 HydrophobicContact CB-CE2 3.95Å; L3-Y38 HydrophobicContact CB-CG 3.97Å; L3-Y38 HydrophobicContact CD1-CD1 4.42Å; L3-Y38 HydrophobicContact CD1-CD2 4.32Å; L3-Y38 HydrophobicContact CD1-CG 3.88Å; L3-Y38 HydrophobicContact CG-CG 4.47Å; A34-Y38 WeakPolarHBondContact O-CB 3.33Å; A34-Y38 PolarHBondContact O-N 3.02Å; M36-Y38 PolarHBondContact O-N 2.8Å; Y38-N42 VanDerWaalsContact CD1-ND2 3.26Å; Y38-N42 WeakPolarHBondContact CD1-ND2 3.26Å; Y38-N42 WeakPolarHBondContact CD2-ND2 3.35Å; Y38-N42 HydrophobicContact CE1-CB 4.3Å; Y38-N42 WeakPolarHBondContact CE1-ND2 3.36Å; Y38-N42 WeakPolarHBondContact CE2-ND2 3.44Å; Y38-N42 VanDerWaalsContact CG-ND2 3.29Å; Y38-N42 WeakPolarHBondContact O-CB 3.23Å; Y38-N42 PolarHBondContact O-N 2.79Å; Y38-N42 PolarHBondContact O-ND2 3.44Å
39T97.8Very high96.9Very high35 Ų3540.4 Ų40.422%0.21523%0.227CC..Hα-helixtrans-68.3-46.4175.4-580000111.1C35 M36 L37 H41 T43 F44 I177 F202C35-T39 WeakPolarHBondContact O-CB 3.19Å; C35-T39 PolarHBondContact O-N 3.33Å; C35-T39 VanDerWaalsContact O-N 3.16Å; C35-T39 PolarHBondContact O-OG1 2.84Å; M36-T39 WeakPolarHBondContact O-CB 3.38Å; M36-T39 PolarHBondContact O-N 3.5Å; M36-T39 VanDerWaalsContact O-N 3.11Å; L37-T39 VanDerWaalsContact C-N 3.26Å; L37-T39 PolarHBondContact O-N 2.87Å; T39-H41 VanDerWaalsContact C-N 3.33Å; T39-H41 PolarHBondContact O-N 3Å; T39-T43 WeakPolarHBondContact O-CB 3.48Å; T39-T43 PolarHBondContact O-N 3.4Å; T39-T43 PolarHBondContact O-OG1 2.9Å; T39-F44 HydrophobicContact CG2-CD2 4.49Å; T39-F44 HydrophobicContact CG2-CE2 4.04Å; T39-I177 HydrophobicContact CG2-CG2 3.81Å; T39-F202 HydrophobicContact CG2-CE1 4.09Å
40I98.4Very high97.1Very high0 Ų041.4 Ų41.40%023%0.226CC..Hα-helixtrans-57.2-47.8177.4-60.2169000110.3M36 L37 F44 D45 D46 I47 I122 Y152 F202M36-I40 HydrophobicContact CE-CD1 4.15Å; M36-I40 HydrophobicContact CG-CD1 3.92Å; M36-I40 VanDerWaalsContact O-CG1 3.29Å; M36-I40 WeakPolarHBondContact O-CG1 3.16Å; M36-I40 PolarHBondContact O-N 2.89Å; L37-I40 PolarHBondContact O-N 3.18Å; I40-F44 CarbonylContact O-C 3.56Å; I40-F44 PolarHBondContact O-N 2.98Å; I40-D45 PolarHBondContact O-N 2.81Å; I40-D46 HydrophobicContact CG2-CB 3.67Å; I40-D46 PolarHBondContact O-N 3.41Å; I40-I47 HydrophobicContact CB-CD1 3.94Å; I40-I47 HydrophobicContact CB-CG1 4.1Å; I40-I47 HydrophobicContact CG2-CD1 3.93Å; I40-I47 HydrophobicContact CG2-CG1 3.55Å; I40-I122 HydrophobicContact CD1-CG2 3.85Å; I40-Y152 HydrophobicContact CB-CE1 4.5Å; I40-Y152 HydrophobicContact CD1-CD1 3.95Å; I40-Y152 HydrophobicContact CD1-CD2 3.95Å; I40-Y152 HydrophobicContact CD1-CG 3.6Å; I40-Y152 HydrophobicContact CG1-CD1 3.63Å; I40-Y152 HydrophobicContact CG1-CD2 4.07Å; I40-Y152 HydrophobicContact CG1-CE1 3.76Å; I40-Y152 HydrophobicContact CG1-CE2 4.23Å; I40-Y152 HydrophobicContact CG1-CG 3.76Å; I40-Y152 HydrophobicContact CG2-CD2 3.96Å; I40-Y152 HydrophobicContact CG2-CE1 4.37Å; I40-Y152 HydrophobicContact CG2-CE2 3.59Å; I40-Y152 HydrophobicContact CG2-CG 4.49Å; I40-F202 HydrophobicContact CD1-CZ 4.19Å; I40-F202 HydrophobicContact CG1-CZ 3.83Å
41H97.9Very high97.3Very high25 Ų2542.3 Ų42.312%0.11623%0.229CC..Hα-helixtrans-67.2-57.8-179.9177.684000112.3L37 T39 D45 I47 E48 L69L37-H41 WeakPolarHBondContact O-CB 3.14Å; L37-H41 PolarHBondContact O-N 3.34Å; T39-H41 VanDerWaalsContact C-N 3.33Å; T39-H41 PolarHBondContact O-N 3Å; H41-D45 WeakPolarHBondContact O-CA 3.15Å; H41-D45 PolarHBondContact O-N 2.68Å; H41-D45 VanDerWaalsContact O-N 3.11Å; H41-I47 HydrophobicContact CB-CB 4.23Å; H41-I47 HydrophobicContact CB-CD1 4.18Å; H41-I47 HydrophobicContact CB-CG1 4.35Å; H41-E48 IonicContact CE1-OE2 2.62Å; H41-L69 HydrophobicContact CB-CD1 4.02Å
42N95.9Very high97.6Very high82 Ų8237.5 Ų37.544%0.43921%0.207SC..Hα-helixtrans-80.4-27.1-170-66.9-81.1000114.9Y38Y38-N42 VanDerWaalsContact CD1-ND2 3.26Å; Y38-N42 WeakPolarHBondContact CD1-ND2 3.26Å; Y38-N42 WeakPolarHBondContact CD2-ND2 3.35Å; Y38-N42 HydrophobicContact CE1-CB 4.3Å; Y38-N42 WeakPolarHBondContact CE1-ND2 3.36Å; Y38-N42 WeakPolarHBondContact CE2-ND2 3.44Å; Y38-N42 VanDerWaalsContact CG-ND2 3.29Å; Y38-N42 WeakPolarHBondContact O-CB 3.23Å; Y38-N42 PolarHBondContact O-N 2.79Å; Y38-N42 PolarHBondContact O-ND2 3.44Å
43T96.6Very high97.8Very high96 Ų9637.2 Ų37.259%0.58921%0.205SC*.Hα-helixtrans-96.3-34.3-175.3-51.10000111.8T39T39-T43 WeakPolarHBondContact O-CB 3.48Å; T39-T43 PolarHBondContact O-N 3.4Å; T39-T43 PolarHBondContact O-OG1 2.9Å
44F97.5Very high97.9Very high57 Ų5737.3 Ų37.325%0.2521%0.205CC..Hα-helixtrans-117.6-9.4-172.2-58.2-75.8000114.2T39 I40 D46 Y152 I177T39-F44 HydrophobicContact CG2-CD2 4.49Å; T39-F44 HydrophobicContact CG2-CE2 4.04Å; I40-F44 CarbonylContact O-C 3.56Å; I40-F44 PolarHBondContact O-N 2.98Å; F44-D46 HydrophobicContact CB-CB 4.31Å; F44-D46 PolarHBondContact O-N 2.9Å; F44-Y152 WeakPolarHBondContact CB-OH 3.39Å; F44-Y152 HydrophobicContact CD2-CE1 4.1Å; F44-Y152 WeakPolarHBondContact CD2-OH 3.18Å; F44-Y152 HydrophobicContact CE2-CE1 4.41Å; F44-Y152 VanDerWaalsContact CG-OH 3.26Å; F44-Y152 WeakPolarHBondContact CG-OH 3.35Å; F44-I177 HydrophobicContact CE2-CD1 3.59Å; F44-I177 HydrophobicContact CE2-CG1 4.28Å; F44-I177 HydrophobicContact CZ-CD1 3.96Å; F44-I177 HydrophobicContact CZ-CG1 4.25Å
45D97.9Very high98Very high93 Ų9337.3 Ų37.350%0.49721%0.205SC..  trans55.334.5-179-16738.4000113.3I40 H41 K50I40-D45 PolarHBondContact O-N 2.81Å; H41-D45 WeakPolarHBondContact O-CA 3.15Å; H41-D45 PolarHBondContact O-N 2.68Å; H41-D45 VanDerWaalsContact O-N 3.11Å; D45-K50 WeakPolarHBondContact O-CE 3.38Å
46D98.5Very high98Very high10 Ų1036.9 Ų36.95%0.05321%0.207CC..  trans-100.915-172.3-83.5-29000112.6I40 F44 T120 T149 A150 Y152 R204I40-D46 HydrophobicContact CG2-CB 3.67Å; I40-D46 PolarHBondContact O-N 3.41Å; F44-D46 HydrophobicContact CB-CB 4.31Å; F44-D46 PolarHBondContact O-N 2.9Å; D46-T120 HydrophobicContact CB-CG2 4.27Å; D46-T120 VanDerWaalsContact O-CB 3.29Å; D46-T120 WeakPolarHBondContact O-CB 3.43Å; D46-T120 PolarHBondContact O-OG1 3.17Å; D46-T149 WeakPolarHBondContact OD1-CG2 3.01Å; D46-A150 WeakPolarHBondContact OD2-CB 2.98Å; D46-Y152 HydrophobicContact CB-CE2 3.85Å; D46-Y152 PolarHBondContact OD2-OH 2.96Å; D46-R204 IonicContact OD2-NE 3.6Å; D46-R204 IonicContact OD2-NH2 3.76Å; D46-R204 PolarHBondContact OD2-NH2 3.3Å
47I98.6Very high98.1Very high0 Ų037.4 Ų37.40%021%0.21CC..SBendtrans-122.4-54.5176-60.7-171.6000113L37 I40 H41 G49 K50 A66 L69 A71L37-I47 HydrophobicContact CB-CD1 4.27Å; L37-I47 HydrophobicContact CD2-CD1 3.83Å; I40-I47 HydrophobicContact CB-CD1 3.94Å; I40-I47 HydrophobicContact CB-CG1 4.1Å; I40-I47 HydrophobicContact CG2-CD1 3.93Å; I40-I47 HydrophobicContact CG2-CG1 3.55Å; H41-I47 HydrophobicContact CB-CB 4.23Å; H41-I47 HydrophobicContact CB-CD1 4.18Å; H41-I47 HydrophobicContact CB-CG1 4.35Å; I47-G49 PolarHBondContact O-N 3.47Å; I47-K50 VanDerWaalsContact O-CB 3.28Å; I47-K50 WeakPolarHBondContact O-CB 3.28Å; I47-K50 WeakPolarHBondContact O-CG 3.15Å; I47-K50 PolarHBondContact O-N 2.69Å; I47-A66 HydrophobicContact CG2-CB 4.39Å; I47-A66 WeakPolarHBondContact CG2-O 3.49Å; I47-L69 HydrophobicContact CD1-CD1 3.97Å; I47-L69 HydrophobicContact CG2-CB 3.84Å; I47-A71 HydrophobicContact CG2-CB 4.04Å; I47-A71 WeakPolarHBondContact O-CA 3.44Å
48E98.6Very high98Very high100 Ų10037.6 Ų37.647%0.46721%0.213SC..BIsolated β-bridgetrans-60.3126.2-170.2-172.1174.5171.600111.4H41 K50 D70H41-E48 IonicContact CE1-OE2 2.62Å; E48-K50 WeakPolarHBondContact O-CG 3.47Å; E48-K50 PolarHBondContact O-N 2.96Å; E48-D70 HydrophobicContact CG-CB 4.22Å
49G98.6Very high98.1Very high58 Ų5834.3 Ų34.360%0.59820%0.2SC*.THydrogen-bonded Turntrans646.5-17700000115.2I47 D70I47-G49 PolarHBondContact O-N 3.47Å; G49-D70 PolarHBondContact N-O 3Å
50K98.8Very high98.1Very high62 Ų6232.6 Ų32.627%0.2719%0.19SC..  trans-88.2153.9-177.6-54.5-49.6178.3-170.40112.3D45 I47 E48 V52 G72 L73 D119D45-K50 WeakPolarHBondContact O-CE 3.38Å; I47-K50 VanDerWaalsContact O-CB 3.28Å; I47-K50 WeakPolarHBondContact O-CB 3.28Å; I47-K50 WeakPolarHBondContact O-CG 3.15Å; I47-K50 PolarHBondContact O-N 2.69Å; E48-K50 WeakPolarHBondContact O-CG 3.47Å; E48-K50 PolarHBondContact O-N 2.96Å; K50-V52 HydrophobicContact CB-CG2 4.17Å; K50-G72 PolarHBondContact O-N 2.72Å; K50-L73 PolarHBondContact O-N 2.66Å; K50-D119 HydrophobicContact CB-CB 3.95Å; K50-D119 HydrophobicContact CD-CB 4.32Å; K50-D119 HydrophobicContact CG-CB 4.4Å
51L98.8Very high98.1Very high57 Ų5733.2 Ų33.230%0.29819%0.193SC..EExtended strand (participates in β ladder)trans-85.9108.2165.2178.254.3000109.3L73 V75 K117 F118 D119 T120L51-L73 HydrophobicContact CD1-CB 3.84Å; L51-L73 HydrophobicContact CD1-CD2 3.92Å; L51-L73 HydrophobicContact CD1-CG 4.01Å; L51-V75 HydrophobicContact CD1-CG2 4.39Å; L51-K117 WeakPolarHBondContact CD2-O 3.49Å; L51-F118 HydrophobicContact CD1-CD1 3.93Å; L51-F118 HydrophobicContact CD1-CE1 3.81Å; L51-F118 HydrophobicContact CD2-CD1 4.33Å; L51-F118 HydrophobicContact CG-CD1 3.59Å; L51-F118 HydrophobicContact CG-CE1 3.94Å; L51-F118 HydrophobicContact CG-CG 4.41Å; L51-D119 PolarHBondContact N-OD2 2.93Å; L51-D119 PolarHBondContact O-N 2.87Å; L51-T120 PolarHBondContact O-N 3.07Å
52V98.9Very high98.2Very high0 Ų032.2 Ų32.20%019%0.189CC..EExtended strand (participates in β ladder)trans-105.2138.3-173.6-175.90000110.5K50 A71 L73 C74 V75 F118 T120 I122K50-V52 HydrophobicContact CB-CG2 4.17Å; V52-A71 HydrophobicContact CG2-CB 4.07Å; V52-L73 PolarHBondContact N-O 2.84Å; V52-C74 HydrophobicContact CB-CB 4.39Å; V52-C74 CarbonylContact O-C 3.6Å; V52-C74 WeakPolarHBondContact O-CA 3.34Å; V52-V75 PolarHBondContact O-N 3.02Å; V52-F118 VanDerWaalsContact C-CD1 3.48Å; V52-T120 CarbonylContact C-O 3.59Å; V52-T120 VanDerWaalsContact CA-O 3.31Å; V52-T120 WeakPolarHBondContact CA-O 3.32Å; V52-I122 HydrophobicContact CG1-CD1 3.93Å; V52-I122 HydrophobicContact CG1-CG1 4Å; V52-I122 HydrophobicContact CG1-CG2 4.27Å
53A98.8Very high98.3Very high0 Ų028.3 Ų28.30%017%0.168CC..EExtended strand (participates in β ladder)trans-110139.5165.100000111L55 V75 F77 F118 T120 V121 I122 M146A53-L55 HydrophobicContact CB-CD2 4.36Å; A53-V75 WeakPolarHBondContact CA-O 3.43Å; A53-F77 HydrophobicContact CB-CD2 4.3Å; A53-F77 HydrophobicContact CB-CE2 3.87Å; A53-F118 HydrophobicContact CB-CB 4.27Å; A53-F118 HydrophobicContact CB-CD1 3.54Å; A53-F118 HydrophobicContact CB-CD2 3.97Å; A53-F118 HydrophobicContact CB-CE1 3.77Å; A53-F118 HydrophobicContact CB-CE2 4.17Å; A53-F118 HydrophobicContact CB-CG 3.65Å; A53-F118 HydrophobicContact CB-CZ 4.08Å; A53-T120 PolarHBondContact N-O 2.94Å; A53-V121 HydrophobicContact CB-CG1 4.37Å; A53-V121 HydrophobicContact CB-CG2 4.19Å; A53-V121 CarbonylContact O-C 3.58Å; A53-V121 WeakPolarHBondContact O-CA 3.5Å; A53-I122 PolarHBondContact O-N 3.33Å; A53-M146 HydrophobicContact CB-CE 4.17Å
54D98.8Very high98.4Very high2 Ų223.7 Ų23.71%0.01114%0.14CC..EExtended strand (participates in β ladder)trans-114.4109.3173.3-175.28.1000109.4C57 L62 S63 V75 F77 I122D54-C57 HydrophobicContact CB-CB 3.95Å; D54-C57 VanDerWaalsContact CG-CB 3.48Å; D54-C57 VanDerWaalsContact OD2-CB 3.26Å; D54-C57 WeakPolarHBondContact OD2-CB 3.29Å; D54-L62 WeakPolarHBondContact OD2-CB 3.42Å; D54-S63 WeakPolarHBondContact CB-OG 3.29Å; D54-S63 PolarHBondContact OD2-N 3.47Å; D54-S63 VanDerWaalsContact OD2-N 3.12Å; D54-S63 PolarHBondContact OD2-OG 3.16Å; D54-V75 PolarHBondContact N-O 2.99Å; D54-F77 PolarHBondContact O-N 3.36Å; D54-I122 WeakPolarHBondContact CA-O 3.41Å; D54-I122 HydrophobicContact CB-CD1 4.45Å; D54-I122 HydrophobicContact CB-CG1 4.03Å
55L98.1Very high98.4Very high0 Ų021 Ų210%013%0.128CC..EExtended strand (participates in β ladder)trans-94.9119.9-175-52.8-175.1000111.2A53 F77 M106 V121 I122 M123 F139 T142 A143 M146A53-L55 HydrophobicContact CB-CD2 4.36Å; L55-F77 HydrophobicContact CD2-CB 4.13Å; L55-F77 HydrophobicContact CD2-CD2 3.73Å; L55-F77 HydrophobicContact CD2-CE2 4.41Å; L55-F77 HydrophobicContact CD2-CG 4.06Å; L55-M106 HydrophobicContact CB-CE 4.39Å; L55-M106 HydrophobicContact CD1-CE 3.82Å; L55-M106 HydrophobicContact CD2-CE 3.75Å; L55-M106 HydrophobicContact CD2-SD 4.14Å; L55-M106 HydrophobicContact CG-CE 4.2Å; L55-V121 HydrophobicContact CD1-CG1 3.73Å; L55-V121 HydrophobicContact CD2-CG1 4.46Å; L55-V121 HydrophobicContact CG-CG1 3.66Å; L55-I122 PolarHBondContact N-O 3.23Å; L55-I122 VanDerWaalsContact N-O 3.14Å; L55-M123 HydrophobicContact CB-CB 4.18Å; L55-M123 HydrophobicContact CB-SD 4.45Å; L55-M123 HydrophobicContact CD1-SD 4.39Å; L55-M123 WeakPolarHBondContact O-CB 3.36Å; L55-F139 HydrophobicContact CB-CD1 3.91Å; L55-F139 HydrophobicContact CB-CE1 4.18Å; L55-T142 HydrophobicContact CD1-CG2 4.45Å; L55-A143 HydrophobicContact CD1-CB 3.77Å; L55-M146 HydrophobicContact CD1-SD 4.46Å; L55-M146 HydrophobicContact CD2-CE 4.09Å; L55-M146 HydrophobicContact CD2-SD 4.15Å
56G97.3Very high98.5Very high25 Ų2516.6 Ų16.626%0.25810%0.104SC..THydrogen-bonded Turntrans72.648.4-168.500000110.3G58 F77 D78G56-G58 PolarHBondContact O-N 3.4Å; G56-F77 VanDerWaalsContact CA-O 3.27Å; G56-F77 WeakPolarHBondContact CA-O 3.47Å; G56-F77 PolarHBondContact N-O 3.01Å; G56-D78 VanDerWaalsContact C-OD2 3.32Å
57C98.1Very high98.5Very high10 Ų1016.2 Ų16.27%0.06810%0.103CC..  trans-65.2-19.5-170.263.30000113.5D54 C59 G60 F77 D78 F87D54-C57 HydrophobicContact CB-CB 3.95Å; D54-C57 VanDerWaalsContact CG-CB 3.48Å; D54-C57 VanDerWaalsContact OD2-CB 3.26Å; D54-C57 WeakPolarHBondContact OD2-CB 3.29Å; C57-C59 PolarHBondContact O-N 2.88Å; C57-G60 WeakPolarHBondContact O-CA 3.32Å; C57-G60 PolarHBondContact O-N 3.12Å; C57-F77 PolarHBondContact N-O 3.1Å; C57-F77 VanDerWaalsContact N-O 3.09Å; C57-D78 PolarHBondContact N-OD2 2.99Å; C57-F87 HydrophobicContact CB-CD1 4.34Å; C57-F87 HydrophobicContact CB-CE1 4.16Å
58G98.1Very high98.5Very high5 Ų517.8 Ų17.85%0.05211%0.11CC..THydrogen-bonded Turntrans54.7-125.6-178.300000111.6G56 G60 D78G56-G58 PolarHBondContact O-N 3.4Å; G58-G60 PolarHBondContact O-N 3.27Å; G58-D78 WeakPolarHBondContact CA-OD2 3.4Å; G58-D78 PolarHBondContact N-OD2 2.82Å
59C98.2Very high98.5Very high3 Ų313.1 Ų13.12%0.029%0.089CC..THydrogen-bonded Turntrans-81.85.1177.1-54.30000113.9D14 A15 F16 C57 I86 F87 N90D14-C59 VanDerWaalsContact O-CB 3.22Å; D14-C59 WeakPolarHBondContact O-CB 3.38Å; A15-C59 VanDerWaalsContact C-SG 3.55Å; F16-C59 PolarHBondContact N-SG 2.81Å; C57-C59 PolarHBondContact O-N 2.88Å; C59-I86 HydrophobicContact CB-CB 4.44Å; C59-I86 HydrophobicContact CB-CG2 3.91Å; C59-F87 WeakPolarHBondContact O-CA 3.36Å; C59-N90 PolarHBondContact O-ND2 3.19Å
60G98.3Very high98.5Very high0 Ų015.4 Ų15.40%09%0.087CC..SBendtrans9214.2168.100000116.8C57 G58 L62 S63 I64 F87C57-G60 WeakPolarHBondContact O-CA 3.32Å; C57-G60 PolarHBondContact O-N 3.12Å; G58-G60 PolarHBondContact O-N 3.27Å; G60-L62 VanDerWaalsContact C-N 3.29Å; G60-L62 PolarHBondContact O-N 3.24Å; G60-S63 PolarHBondContact O-N 3.11Å; G60-I64 WeakPolarHBondContact O-CB 3.29Å; G60-I64 VanDerWaalsContact O-CG1 3.28Å; G60-I64 WeakPolarHBondContact O-CG1 3.28Å; G60-I64 PolarHBondContact O-N 3.35Å; G60-F87 VanDerWaalsContact CA-CD2 3.48Å
61V98.5Very high98.5Very high12 Ų1212.6 Ų12.67%0.0738%0.075CC..Hα-helixtrans-52.4-46.3-177.5179.80000112.3L10 V13 P27 A33 G65L10-V61 HydrophobicContact CD2-CG1 4.26Å; L10-V61 VanDerWaalsContact CD2-O 3.3Å; L10-V61 WeakPolarHBondContact CD2-O 3.34Å; V13-V61 HydrophobicContact CB-CG2 4.32Å; V13-V61 HydrophobicContact CG1-CG2 3.81Å; P27-V61 HydrophobicContact CB-CG2 4.36Å; A33-V61 HydrophobicContact CB-CG1 3.67Å; V61-G65 PolarHBondContact O-N 3Å
62L98.8Very high98.5Very high4 Ų412.2 Ų12.22%0.0219%0.086CC..Hα-helixtrans-72.4-44.1179.4-67.4-177.1000111.7T28 A33 M36 L37 D54 G60 G65 A66 I122 N124T28-L62 HydrophobicContact CG2-CD2 4.14Å; A33-L62 HydrophobicContact CB-CD2 3.81Å; M36-L62 HydrophobicContact CE-CD1 4.5Å; M36-L62 HydrophobicContact SD-CD1 4.5Å; M36-L62 HydrophobicContact SD-CD2 4.16Å; L37-L62 HydrophobicContact CD1-CD2 4.4Å; L37-L62 HydrophobicContact CG-CD2 4.35Å; D54-L62 WeakPolarHBondContact OD2-CB 3.42Å; G60-L62 VanDerWaalsContact C-N 3.29Å; G60-L62 PolarHBondContact O-N 3.24Å; L62-G65 PolarHBondContact O-N 2.66Å; L62-A66 WeakPolarHBondContact O-CB 3.36Å; L62-A66 PolarHBondContact O-N 3.42Å; L62-I122 HydrophobicContact CB-CD1 3.89Å; L62-I122 HydrophobicContact CB-CG1 4.49Å; L62-N124 HydrophobicContact CD1-CB 4.26Å
63S98.8Very high98.4Very high0 Ų015.1 Ų15.10%010%0.101CC..Hα-helixtrans-60.4-45.8178-66.60000113.8D54 G60 A66 A67D54-S63 WeakPolarHBondContact CB-OG 3.29Å; D54-S63 PolarHBondContact OD2-N 3.47Å; D54-S63 VanDerWaalsContact OD2-N 3.12Å; D54-S63 PolarHBondContact OD2-OG 3.16Å; G60-S63 PolarHBondContact O-N 3.11Å; S63-A66 PolarHBondContact O-N 2.9Å; S63-A67 WeakPolarHBondContact O-CB 3.44Å; S63-A67 PolarHBondContact O-N 3.03Å
64I98.7Very high98.5Very high0 Ų015.1 Ų15.10%010%0.101CC..Hα-helixtrans-60.5-47.5176.1-71.8164.6000109.7L10 V13 G60 A66 A67 M68 F87 N90 F94 L96L10-I64 HydrophobicContact CD2-CG2 4.28Å; V13-I64 HydrophobicContact CB-CD1 4.41Å; V13-I64 HydrophobicContact CG1-CD1 3.68Å; V13-I64 HydrophobicContact CG2-CB 4.48Å; V13-I64 HydrophobicContact CG2-CD1 3.82Å; V13-I64 HydrophobicContact CG2-CG2 4.05Å; G60-I64 WeakPolarHBondContact O-CB 3.29Å; G60-I64 VanDerWaalsContact O-CG1 3.28Å; G60-I64 WeakPolarHBondContact O-CG1 3.28Å; G60-I64 PolarHBondContact O-N 3.35Å; I64-A66 VanDerWaalsContact C-N 3.34Å; I64-A66 PolarHBondContact O-N 2.87Å; I64-A67 WeakPolarHBondContact O-CB 3.42Å; I64-A67 PolarHBondContact O-N 3.06Å; I64-M68 HydrophobicContact CG2-CG 4.38Å; I64-M68 HydrophobicContact CG2-SD 3.96Å; I64-M68 WeakPolarHBondContact O-CB 3.4Å; I64-M68 VanDerWaalsContact O-CG 3.25Å; I64-M68 WeakPolarHBondContact O-CG 3.31Å; I64-M68 PolarHBondContact O-N 2.91Å; I64-F87 HydrophobicContact CD1-CD2 4.29Å; I64-F87 HydrophobicContact CD1-CE2 4.37Å; I64-F87 HydrophobicContact CG1-CD2 4.35Å; I64-F87 HydrophobicContact CG1-CE2 3.93Å; I64-N90 HydrophobicContact CD1-CB 3.48Å; I64-N90 VanDerWaalsContact CD1-CB 3.48Å; I64-F94 HydrophobicContact CG2-CD1 4.07Å; I64-F94 HydrophobicContact CG2-CE1 4.17Å; I64-F94 HydrophobicContact CG2-CG 4.32Å; I64-F94 HydrophobicContact CG2-CZ 4.5Å; I64-L96 HydrophobicContact CB-CD1 4.16Å; I64-L96 HydrophobicContact CG1-CD1 4.04Å; I64-L96 HydrophobicContact CG2-CD1 3.93Å
65G98.7Very high98.4Very high0 Ų015.5 Ų15.50%010%0.103CC..Hα-helixtrans-64.4-36.6178.600000113.3V61 L62 L69V61-G65 PolarHBondContact O-N 3Å; L62-G65 PolarHBondContact O-N 2.66Å; G65-L69 VanDerWaalsContact O-CG 3.31Å; G65-L69 WeakPolarHBondContact O-CG 3.02Å; G65-L69 PolarHBondContact O-N 2.89Å
66A98.8Very high98.5Very high0 Ų015.5 Ų15.50%010%0.103CC..Hα-helixtrans-65.1-43173.600000111.6L37 I47 L62 S63 I64 L69 A71 I122L37-A66 HydrophobicContact CD2-CB 4.25Å; I47-A66 HydrophobicContact CG2-CB 4.39Å; I47-A66 WeakPolarHBondContact CG2-O 3.49Å; L62-A66 WeakPolarHBondContact O-CB 3.36Å; L62-A66 PolarHBondContact O-N 3.42Å; S63-A66 PolarHBondContact O-N 2.9Å; I64-A66 VanDerWaalsContact C-N 3.34Å; I64-A66 PolarHBondContact O-N 2.87Å; A66-L69 CarbonylContact O-C 3.53Å; A66-L69 PolarHBondContact O-N 2.87Å; A66-A71 VanDerWaalsContact O-CB 3.31Å; A66-A71 WeakPolarHBondContact O-CB 3.33Å; A66-A71 PolarHBondContact O-N 3.36Å; A66-I122 HydrophobicContact CB-CD1 4.12Å
67A98.6Very high98.5Very high3 Ų314.3 Ų14.33%0.0259%0.091CC..Hα-helixtrans-62.9-40.8175.800000112.9S63 I64 L69 D70 L96 N98 V99S63-A67 WeakPolarHBondContact O-CB 3.44Å; S63-A67 PolarHBondContact O-N 3.03Å; I64-A67 WeakPolarHBondContact O-CB 3.42Å; I64-A67 PolarHBondContact O-N 3.06Å; A67-L69 PolarHBondContact O-N 3.26Å; A67-D70 PolarHBondContact O-N 3.08Å; A67-D70 VanDerWaalsContact O-N 3.12Å; A67-L96 HydrophobicContact CB-CD1 3.91Å; A67-L96 HydrophobicContact CB-CD2 4.16Å; A67-L96 HydrophobicContact CB-CG 4.49Å; A67-N98 WeakPolarHBondContact CB-OD1 3.32Å; A67-N98 PolarHBondContact O-ND2 3.47Å; A67-N98 VanDerWaalsContact O-ND2 3.08Å; A67-V99 HydrophobicContact CB-CG2 3.53Å
68M98.3Very high98.5Very high32 Ų3214.6 Ų14.616%0.1589%0.092CC..Hα-helixtrans-68.4-17174.7-68.9-178.27700114M1 L6 C9 I64 D70 F94 L96M1-M68 HydrophobicContact CE-CB 4.14Å; M1-M68 HydrophobicContact CE-CE 3.71Å; M1-M68 HydrophobicContact SD-CE 4.2Å; L6-M68 HydrophobicContact CD1-CB 4.49Å; C9-M68 HydrophobicContact CB-CE 3.32Å; C9-M68 HydrophobicContact CB-SD 3.84Å; C9-M68 WeakPolarHBondContact SG-CE 3.37Å; I64-M68 HydrophobicContact CG2-CG 4.38Å; I64-M68 HydrophobicContact CG2-SD 3.96Å; I64-M68 WeakPolarHBondContact O-CB 3.4Å; I64-M68 VanDerWaalsContact O-CG 3.25Å; I64-M68 WeakPolarHBondContact O-CG 3.31Å; I64-M68 PolarHBondContact O-N 2.91Å; M68-D70 VanDerWaalsContact C-N 3.29Å; M68-F94 HydrophobicContact CE-CD1 4.5Å; M68-F94 HydrophobicContact SD-CD1 3.95Å; M68-F94 HydrophobicContact SD-CE1 4.02Å; M68-L96 HydrophobicContact CG-CD2 4.18Å
69L98.6Very high98.5Very high2 Ų217.9 Ų17.91%0.0111%0.107CC..THydrogen-bonded Turntrans-97.925.5172.5-69.6174.5000111.7M1 L6 L37 H41 I47 G65 A66 A67 A71M1-L69 HydrophobicContact CB-CD2 4.25Å; L6-L69 HydrophobicContact CD1-CG 4.47Å; L6-L69 HydrophobicContact CD2-CD1 3.86Å; L6-L69 HydrophobicContact CD2-CD2 4.37Å; L6-L69 HydrophobicContact CD2-CG 4.27Å; L37-L69 HydrophobicContact CB-CD1 3.79Å; H41-L69 HydrophobicContact CB-CD1 4.02Å; I47-L69 HydrophobicContact CD1-CD1 3.97Å; I47-L69 HydrophobicContact CG2-CB 3.84Å; G65-L69 VanDerWaalsContact O-CG 3.31Å; G65-L69 WeakPolarHBondContact O-CG 3.02Å; G65-L69 PolarHBondContact O-N 2.89Å; A66-L69 CarbonylContact O-C 3.53Å; A66-L69 PolarHBondContact O-N 2.87Å; A67-L69 PolarHBondContact O-N 3.26Å; L69-A71 PolarHBondContact O-N 2.98Å
70D98.3Very high98.4Very high106 Ų10618.3 Ų18.357%0.56711%0.109SC*.THydrogen-bonded Turntrans62.635.2172.7-59.8-53.1000114.3E48 G49 A67 M68 G72E48-D70 HydrophobicContact CG-CB 4.22Å; G49-D70 PolarHBondContact N-O 3Å; A67-D70 PolarHBondContact O-N 3.08Å; A67-D70 VanDerWaalsContact O-N 3.12Å; M68-D70 VanDerWaalsContact C-N 3.29Å; D70-G72 PolarHBondContact O-N 3.25Å
71A98.7Very high98.4Very high3 Ų321.3 Ų21.33%0.02513%0.126CC..BIsolated β-bridgetrans-54.3139.5163.700000110.6I47 V52 A66 L69 L73 N98I47-A71 HydrophobicContact CG2-CB 4.04Å; I47-A71 WeakPolarHBondContact O-CA 3.44Å; V52-A71 HydrophobicContact CG2-CB 4.07Å; A66-A71 VanDerWaalsContact O-CB 3.31Å; A66-A71 WeakPolarHBondContact O-CB 3.33Å; A66-A71 PolarHBondContact O-N 3.36Å; L69-A71 PolarHBondContact O-N 2.98Å; A71-L73 VanDerWaalsContact C-N 3.32Å; A71-L73 PolarHBondContact O-N 3.38Å; A71-N98 PolarHBondContact O-ND2 3.39Å
72G98.6Very high98.4Very high50 Ų5024.5 Ų24.552%0.51514%0.142SC..SBendtrans-63.6-41.6177.600000111.6K50 D70K50-G72 PolarHBondContact O-N 2.72Å; D70-G72 PolarHBondContact O-N 3.25Å
73L98.8Very high98.4Very high61 Ų6124.4 Ų24.432%0.31914%0.142SC..EExtended strand (participates in β ladder)trans-157.8134.2168.1173.965.3000108.5K50 L51 V52 A71 V75 N98 D100K50-L73 PolarHBondContact O-N 2.66Å; L51-L73 HydrophobicContact CD1-CB 3.84Å; L51-L73 HydrophobicContact CD1-CD2 3.92Å; L51-L73 HydrophobicContact CD1-CG 4.01Å; V52-L73 PolarHBondContact N-O 2.84Å; A71-L73 VanDerWaalsContact C-N 3.32Å; A71-L73 PolarHBondContact O-N 3.38Å; L73-V75 HydrophobicContact CD2-CG2 3.94Å; L73-V75 HydrophobicContact CG-CG2 3.97Å; L73-N98 WeakPolarHBondContact CA-O 3.45Å; L73-D100 HydrophobicContact CD1-CB 4.25Å
74C98.8Very high98.3Very high0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-109.8121.3169.5-170.40000110.3V52 N98 V99 D100V52-C74 HydrophobicContact CB-CB 4.39Å; V52-C74 CarbonylContact O-C 3.6Å; V52-C74 WeakPolarHBondContact O-CA 3.34Å; C74-N98 PolarHBondContact N-O 3.01Å; C74-V99 CarbonylContact O-C 3.54Å; C74-V99 VanDerWaalsContact O-CA 3.29Å; C74-V99 WeakPolarHBondContact O-CA 3.43Å; C74-D100 PolarHBondContact O-N 3.41Å
75V98.7Very high98.3Very high9 Ų930.2 Ų30.26%0.05517%0.168CC..EExtended strand (participates in β ladder)trans-106.2115.2177.8-172.60000109.6L51 V52 A53 D54 L73 F77 D100 I102 F118L51-V75 HydrophobicContact CD1-CG2 4.39Å; V52-V75 PolarHBondContact O-N 3.02Å; A53-V75 WeakPolarHBondContact CA-O 3.43Å; D54-V75 PolarHBondContact N-O 2.99Å; L73-V75 HydrophobicContact CD2-CG2 3.94Å; L73-V75 HydrophobicContact CG-CG2 3.97Å; V75-F77 HydrophobicContact CB-CE2 3.96Å; V75-F77 HydrophobicContact CB-CZ 4.44Å; V75-F77 HydrophobicContact CG1-CD2 4.33Å; V75-F77 HydrophobicContact CG1-CE2 3.65Å; V75-F77 HydrophobicContact CG1-CZ 3.8Å; V75-F77 WeakPolarHBondContact O-CD2 3.4Å; V75-F77 WeakPolarHBondContact O-CE2 3.41Å; V75-D100 CarbonylContact C-O 3.51Å; V75-D100 WeakPolarHBondContact CA-O 3.47Å; V75-D100 HydrophobicContact CG2-CB 4.33Å; V75-I102 HydrophobicContact CG1-CD1 3.75Å; V75-I102 HydrophobicContact CG1-CG1 3.96Å; V75-F118 HydrophobicContact CB-CE1 3.81Å; V75-F118 HydrophobicContact CB-CZ 4.02Å; V75-F118 HydrophobicContact CG2-CE1 3.76Å; V75-F118 HydrophobicContact CG2-CZ 4.13Å
76G98.6Very high98.3Very high0 Ų030.8 Ų30.80%017%0.171CC..EExtended strand (participates in β ladder)trans-88.4134175.900000112.3D100 I102G76-D100 PolarHBondContact N-O 3.17Å; G76-I102 PolarHBondContact O-N 3.22Å
77F98.2Very high98.3Very high0 Ų030.8 Ų30.80%017%0.171CC..EExtended strand (participates in β ladder)trans-116.3124.1176.4-63-99000109.7A53 D54 L55 G56 C57 V75 I102 M106 Y114 F118 M146A53-F77 HydrophobicContact CB-CD2 4.3Å; A53-F77 HydrophobicContact CB-CE2 3.87Å; D54-F77 PolarHBondContact O-N 3.36Å; L55-F77 HydrophobicContact CD2-CB 4.13Å; L55-F77 HydrophobicContact CD2-CD2 3.73Å; L55-F77 HydrophobicContact CD2-CE2 4.41Å; L55-F77 HydrophobicContact CD2-CG 4.06Å; G56-F77 VanDerWaalsContact CA-O 3.27Å; G56-F77 WeakPolarHBondContact CA-O 3.47Å; G56-F77 PolarHBondContact N-O 3.01Å; C57-F77 PolarHBondContact N-O 3.1Å; C57-F77 VanDerWaalsContact N-O 3.09Å; V75-F77 HydrophobicContact CB-CE2 3.96Å; V75-F77 HydrophobicContact CB-CZ 4.44Å; V75-F77 HydrophobicContact CG1-CD2 4.33Å; V75-F77 HydrophobicContact CG1-CE2 3.65Å; V75-F77 HydrophobicContact CG1-CZ 3.8Å; V75-F77 WeakPolarHBondContact O-CD2 3.4Å; V75-F77 WeakPolarHBondContact O-CE2 3.41Å; F77-I102 WeakPolarHBondContact CA-O 3.18Å; F77-I102 HydrophobicContact CD1-CB 3.85Å; F77-I102 HydrophobicContact CD1-CD1 4.4Å; F77-I102 HydrophobicContact CD1-CG2 3.98Å; F77-I102 HydrophobicContact CE1-CB 3.97Å; F77-I102 HydrophobicContact CE1-CD1 3.63Å; F77-I102 HydrophobicContact CE1-CG1 4.31Å; F77-I102 HydrophobicContact CE1-CG2 4.08Å; F77-I102 HydrophobicContact CZ-CD1 3.92Å; F77-M106 HydrophobicContact CB-SD 3.88Å; F77-M106 HydrophobicContact CG-SD 4.48Å; F77-Y114 HydrophobicContact CE1-CE1 4.31Å; F77-Y114 HydrophobicContact CZ-CE1 4.35Å; F77-F118 HydrophobicContact CE2-CE2 4.23Å; F77-F118 AromaticContact CE2-CZ 3.85Å; F77-F118 HydrophobicContact CE2-CZ 3.85Å; F77-F118 HydrophobicContact CZ-CE2 4.04Å; F77-F118 AromaticContact CZ-CZ 3.81Å; F77-F118 HydrophobicContact CZ-CZ 3.81Å; F77-M146 HydrophobicContact CE2-CE 3.95Å; F77-M146 HydrophobicContact CZ-CE 3.9Å
78D98.1Very high98.3Very high16 Ų1636 Ų369%0.08619%0.193CC..EExtended strand (participates in β ladder)trans-145.7153.7172.3-149.8-70.2000111.4G56 C57 G58 D80 L84 I102 Q103 C104G56-D78 VanDerWaalsContact C-OD2 3.32Å; C57-D78 PolarHBondContact N-OD2 2.99Å; G58-D78 WeakPolarHBondContact CA-OD2 3.4Å; G58-D78 PolarHBondContact N-OD2 2.82Å; D78-D80 PolarHBondContact OD1-N 3.08Å; D78-L84 HydrophobicContact CB-CD1 4.39Å; D78-L84 HydrophobicContact CB-CD2 3.74Å; D78-L84 HydrophobicContact CB-CG 3.99Å; D78-I102 PolarHBondContact N-O 3.18Å; D78-Q103 CarbonylContact O-C 3.51Å; D78-Q103 VanDerWaalsContact O-CA 3.28Å; D78-Q103 WeakPolarHBondContact O-CA 3.31Å; D78-C104 CarbonylContact C-O 3.53Å; D78-C104 VanDerWaalsContact C-O 3.28Å; D78-C104 PolarHBondContact O-N 2.89Å
79I96.9Very high98.3Very high74 Ų7438.4 Ų38.438%0.37920%0.2SC..SBendtrans-80.2-26.9176.3-166.1171.9000111.2L23 Q103 C104 D105L23-I79 HydrophobicContact CD1-CG2 3.96Å; L23-I79 HydrophobicContact CD2-CG2 4.02Å; I79-Q103 PolarHBondContact O-NE2 3.44Å; I79-Q103 VanDerWaalsContact O-NE2 3.11Å; I79-C104 VanDerWaalsContact CA-O 3.24Å; I79-C104 WeakPolarHBondContact CA-O 3.46Å; I79-C104 PolarHBondContact N-O 2.96Å; I79-D105 HydrophobicContact CD1-CB 3.74Å; I79-D105 HydrophobicContact CG1-CB 4.1Å
80D97.6Very high98.3Very high12 Ų1238.3 Ų38.36%0.06420%0.199CC..  trans-94.5110.5-172-171.213.6000113.3K20 L23 Q25 D78 D82 A83 L84K20-D80 WeakPolarHBondContact CD-OD2 3.4Å; K20-D80 WeakPolarHBondContact CE-OD2 3.36Å; K20-D80 IonicContact NZ-OD1 3.3Å; K20-D80 PolarHBondContact NZ-OD1 2.95Å; K20-D80 IonicContact NZ-OD2 3.12Å; K20-D80 PolarHBondContact NZ-OD2 3.23Å; L23-D80 HydrophobicContact CD1-CB 4.06Å; Q25-D80 PolarHBondContact NE2-OD2 2.89Å; D78-D80 PolarHBondContact OD1-N 3.08Å; D80-D82 PolarHBondContact O-N 3.2Å; D80-D82 PolarHBondContact OD1-N 2.96Å; D80-D82 VanDerWaalsContact OD1-N 3.09Å; D80-A83 HydrophobicContact CB-CB 4.04Å; D80-A83 WeakPolarHBondContact O-CB 3.37Å; D80-A83 PolarHBondContact O-N 2.94Å; D80-L84 WeakPolarHBondContact O-CG 3.36Å; D80-L84 PolarHBondContact O-N 3.14Å; D80-L84 VanDerWaalsContact O-N 3.11Å
81D97.7Very high98.3Very high64 Ų6433.8 Ų33.834%0.34218%0.176SC..Hα-helixtrans-58.9-33.4175.1-176.150.8000112.7L84 K85D81-L84 PolarHBondContact O-N 2.83Å; D81-K85 WeakPolarHBondContact O-CG 3.34Å; D81-K85 PolarHBondContact O-N 2.84Å; D81-K85 WeakPolarHBondContact OD2-CE 3.26Å; D81-K85 IonicContact OD2-NZ 2.72Å; D81-K85 PolarHBondContact OD2-NZ 3.24Å
82D97.9Very high98.3Very high79 Ų7939.5 Ų39.542%0.42220%0.203SC..Hα-helixtrans-68.7-37.5179.9-60.6-35.6000111.3K20 D80 K85 I86K20-D82 IonicContact NZ-OD2 3.31Å; K20-D82 PolarHBondContact NZ-OD2 3.25Å; D80-D82 PolarHBondContact O-N 3.2Å; D80-D82 PolarHBondContact OD1-N 2.96Å; D80-D82 VanDerWaalsContact OD1-N 3.09Å; D82-K85 IonicContact OD1-NZ 3.4Å; D82-K85 PolarHBondContact OD1-NZ 2.78Å; D82-I86 WeakPolarHBondContact O-CG1 3.4Å; D82-I86 PolarHBondContact O-N 2.89Å
83A98.1Very high98.2Very high1 Ų142.6 Ų42.61%0.00820%0.204CC..Hα-helixtrans-66.5-42.6173.800000111.4F16 D80 K85 I86 F87F16-A83 HydrophobicContact CD1-CB 4.2Å; F16-A83 HydrophobicContact CE1-CB 3.69Å; D80-A83 HydrophobicContact CB-CB 4.04Å; D80-A83 WeakPolarHBondContact O-CB 3.37Å; D80-A83 PolarHBondContact O-N 2.94Å; A83-K85 VanDerWaalsContact C-N 3.34Å; A83-K85 PolarHBondContact O-N 3.31Å; A83-I86 PolarHBondContact O-N 3.22Å; A83-F87 PolarHBondContact O-N 2.98Å
84L98.5Very high98.2Very high13 Ų1341.8 Ų41.87%0.06820%0.198CC..Hα-helixtrans-65.9-32.7178.4-66.8175.3000112.9D78 D80 D81 F87 K88 L101 Q103D78-L84 HydrophobicContact CB-CD1 4.39Å; D78-L84 HydrophobicContact CB-CD2 3.74Å; D78-L84 HydrophobicContact CB-CG 3.99Å; D80-L84 WeakPolarHBondContact O-CG 3.36Å; D80-L84 PolarHBondContact O-N 3.14Å; D80-L84 VanDerWaalsContact O-N 3.11Å; D81-L84 PolarHBondContact O-N 2.83Å; L84-F87 PolarHBondContact O-N 2.88Å; L84-K88 WeakPolarHBondContact O-CB 3.31Å; L84-K88 PolarHBondContact O-N 2.86Å; L84-L101 HydrophobicContact CB-CD2 4.49Å; L84-L101 HydrophobicContact CD2-CB 4.42Å; L84-L101 HydrophobicContact CD2-CD2 3.9Å; L84-Q103 HydrophobicContact CD1-CB 3.57Å; L84-Q103 HydrophobicContact CD1-CG 3.88Å
85K98.4Very high98.1Very high110 Ų11050 Ų5048%0.47824%0.236SC..Hα-helixtrans-62.9-43.3171.9-75.1168.8-168.2147.10112.1D81 D82 A83 K88 R89D81-K85 WeakPolarHBondContact O-CG 3.34Å; D81-K85 PolarHBondContact O-N 2.84Å; D81-K85 WeakPolarHBondContact OD2-CE 3.26Å; D81-K85 IonicContact OD2-NZ 2.72Å; D81-K85 PolarHBondContact OD2-NZ 3.24Å; D82-K85 IonicContact OD1-NZ 3.4Å; D82-K85 PolarHBondContact OD1-NZ 2.78Å; A83-K85 VanDerWaalsContact C-N 3.34Å; A83-K85 PolarHBondContact O-N 3.31Å; K85-K88 PolarHBondContact O-N 3.34Å; K85-R89 PolarHBondContact O-N 3.47Å
86I98.5Very high98.1Very high12 Ų1251.1 Ų51.16%0.06224%0.241CC..Hα-helixtrans-64.9-45176.1-61.5167000109.7D14 E17 C59 D82 A83 K88 R89 N90D14-I86 HydrophobicContact CB-CG2 3.98Å; E17-I86 HydrophobicContact CB-CD1 4.45Å; E17-I86 HydrophobicContact CG-CD1 3.99Å; C59-I86 HydrophobicContact CB-CB 4.44Å; C59-I86 HydrophobicContact CB-CG2 3.91Å; D82-I86 WeakPolarHBondContact O-CG1 3.4Å; D82-I86 PolarHBondContact O-N 2.89Å; A83-I86 PolarHBondContact O-N 3.22Å; I86-K88 VanDerWaalsContact C-N 3.34Å; I86-K88 PolarHBondContact O-N 2.85Å; I86-R89 WeakPolarHBondContact O-CB 3.46Å; I86-R89 PolarHBondContact O-N 3.07Å; I86-N90 PolarHBondContact O-N 3.23Å; I86-N90 PolarHBondContact O-ND2 2.67Å
87F98.5Very high98Very high0 Ų057.7 Ų57.70%028%0.282CS..Hα-helixtrans-59.3-45.1175.7-176.4-172.7000111.4C57 C59 G60 I64 A83 L84 R89 N90 S91 V99 L101C57-F87 HydrophobicContact CB-CD1 4.34Å; C57-F87 HydrophobicContact CB-CE1 4.16Å; C59-F87 WeakPolarHBondContact O-CA 3.36Å; G60-F87 VanDerWaalsContact CA-CD2 3.48Å; I64-F87 HydrophobicContact CD1-CD2 4.29Å; I64-F87 HydrophobicContact CD1-CE2 4.37Å; I64-F87 HydrophobicContact CG1-CD2 4.35Å; I64-F87 HydrophobicContact CG1-CE2 3.93Å; A83-F87 PolarHBondContact O-N 2.98Å; L84-F87 PolarHBondContact O-N 2.88Å; F87-R89 VanDerWaalsContact C-N 3.35Å; F87-R89 PolarHBondContact O-N 2.98Å; F87-N90 WeakPolarHBondContact O-CB 3.38Å; F87-N90 PolarHBondContact O-N 3.17Å; F87-N90 VanDerWaalsContact O-N 3.15Å; F87-S91 PolarHBondContact O-N 2.89Å; F87-V99 HydrophobicContact CE1-CG1 4.36Å; F87-V99 HydrophobicContact CE2-CG1 3.69Å; F87-V99 HydrophobicContact CZ-CG1 3.34Å; F87-L101 HydrophobicContact CB-CD2 3.81Å; F87-L101 HydrophobicContact CD1-CD2 3.18Å; F87-L101 HydrophobicContact CD1-CG 4.3Å; F87-L101 HydrophobicContact CD2-CD2 4.25Å; F87-L101 HydrophobicContact CE1-CD2 3.6Å; F87-L101 HydrophobicContact CE1-CG 4.26Å; F87-L101 HydrophobicContact CG-CD2 3.5Å; F87-L101 VanDerWaalsContact CG-CD2 3.5Å; F87-L101 HydrophobicContact CZ-CD2 4.23Å
88K98.5Very high98Very high113 Ų11359.1 Ų59.149%0.49129%0.29SS..Hα-helixtrans-57.1-47.2175.6-174.5176.4176.9-179.90111.9L84 K85 I86 N90 S91 E92 L101L84-K88 WeakPolarHBondContact O-CB 3.31Å; L84-K88 PolarHBondContact O-N 2.86Å; K85-K88 PolarHBondContact O-N 3.34Å; I86-K88 VanDerWaalsContact C-N 3.34Å; I86-K88 PolarHBondContact O-N 2.85Å; K88-N90 PolarHBondContact O-N 3.31Å; K88-S91 PolarHBondContact O-N 2.82Å; K88-S91 VanDerWaalsContact O-N 3.17Å; K88-S91 PolarHBondContact O-OG 3.45Å; K88-E92 WeakPolarHBondContact CE-OE1 3.39Å; K88-E92 WeakPolarHBondContact O-CG 3.47Å; K88-E92 PolarHBondContact O-N 3Å; K88-L101 HydrophobicContact CB-CD1 4.23Å; K88-L101 HydrophobicContact CG-CD1 4.44Å
89R98.4Very high98Very high81 Ų8159.5 Ų59.531%0.30629%0.292SS..Hα-helixtrans-56.5-49174.4-178.5177.673-150.5-0.3111.4D14 E17 K85 I86 F87 S91 E92 E93D14-R89 IonicContact OD2-CZ 3.02Å; D14-R89 IonicContact OD2-NE 3.94Å; D14-R89 PolarHBondContact OD2-NE 3.1Å; D14-R89 IonicContact OD2-NH2 3.99Å; D14-R89 PolarHBondContact OD2-NH2 2.93Å; E17-R89 IonicContact OE1-CZ 4Å; E17-R89 IonicContact OE1-NH1 3.95Å; E17-R89 PolarHBondContact OE1-NH1 2.73Å; E17-R89 VanDerWaalsContact OE1-NH1 3.12Å; E17-R89 IonicContact OE1-NH2 3.6Å; K85-R89 PolarHBondContact O-N 3.47Å; I86-R89 WeakPolarHBondContact O-CB 3.46Å; I86-R89 PolarHBondContact O-N 3.07Å; F87-R89 VanDerWaalsContact C-N 3.35Å; F87-R89 PolarHBondContact O-N 2.98Å; R89-S91 VanDerWaalsContact C-N 3.31Å; R89-S91 PolarHBondContact O-N 3.08Å; R89-E92 PolarHBondContact O-N 3.36Å; R89-E92 VanDerWaalsContact O-N 3.17Å; R89-E93 WeakPolarHBondContact CD-OE1 3.34Å; R89-E93 HydrophobicContact CG-CG 4.36Å; R89-E93 VanDerWaalsContact CG-OE1 3.28Å; R89-E93 WeakPolarHBondContact CG-OE1 3.47Å; R89-E93 IonicContact NE-OE1 3.54Å; R89-E93 WeakPolarHBondContact O-CG 3.36Å; R89-E93 PolarHBondContact O-N 2.86Å
90N98.5Very high98Very high0 Ų060 Ų600%030%0.296CS..Hα-helixtrans-57.5-43.2176.4-71.2-35.1000111.8V13 D14 C59 I64 I86 F87 K88 E92 E93 F94V13-N90 HydrophobicContact CG1-CB 4.46Å; V13-N90 WeakPolarHBondContact CG1-ND2 3.29Å; D14-N90 VanDerWaalsContact CB-OD1 3.32Å; D14-N90 WeakPolarHBondContact CB-OD1 3.34Å; D14-N90 PolarHBondContact N-OD1 2.88Å; D14-N90 PolarHBondContact O-ND2 2.53Å; C59-N90 PolarHBondContact O-ND2 3.19Å; I64-N90 HydrophobicContact CD1-CB 3.48Å; I64-N90 VanDerWaalsContact CD1-CB 3.48Å; I86-N90 PolarHBondContact O-N 3.23Å; I86-N90 PolarHBondContact O-ND2 2.67Å; F87-N90 WeakPolarHBondContact O-CB 3.38Å; F87-N90 PolarHBondContact O-N 3.17Å; F87-N90 VanDerWaalsContact O-N 3.15Å; K88-N90 PolarHBondContact O-N 3.31Å; N90-E92 VanDerWaalsContact C-N 3.31Å; N90-E92 PolarHBondContact O-N 2.76Å; N90-E93 PolarHBondContact O-N 3.42Å; N90-F94 WeakPolarHBondContact O-CB 3.44Å; N90-F94 WeakPolarHBondContact O-CD2 3.4Å; N90-F94 PolarHBondContact O-N 3.36Å
91S98Very high98.1Very high12 Ų1261.6 Ų61.68%0.08430%0.304CS..Hα-helixtrans-64.1-36.3179.168.40000112.9F87 K88 R89 E95 L96F87-S91 PolarHBondContact O-N 2.89Å; K88-S91 PolarHBondContact O-N 2.82Å; K88-S91 VanDerWaalsContact O-N 3.17Å; K88-S91 PolarHBondContact O-OG 3.45Å; R89-S91 VanDerWaalsContact C-N 3.31Å; R89-S91 PolarHBondContact O-N 3.08Å; S91-E95 PolarHBondContact O-N 3.34Å; S91-L96 PolarHBondContact O-N 3.48Å
92E98.1Very high98Very high123 Ų12360.8 Ų60.858%0.57530%0.299SS*.Hα-helixtrans-70.1-43.6176.3-69.7171.8179.800111.3K88 R89 N90 F94 E95K88-E92 WeakPolarHBondContact CE-OE1 3.39Å; K88-E92 WeakPolarHBondContact O-CG 3.47Å; K88-E92 PolarHBondContact O-N 3Å; R89-E92 PolarHBondContact O-N 3.36Å; R89-E92 VanDerWaalsContact O-N 3.17Å; N90-E92 VanDerWaalsContact C-N 3.31Å; N90-E92 PolarHBondContact O-N 2.76Å; E92-F94 VanDerWaalsContact C-N 3.34Å; E92-F94 PolarHBondContact O-N 2.87Å; E92-E95 PolarHBondContact O-N 3.43Å
93E97.9Very high98Very high115 Ų11562.5 Ų62.554%0.53731%0.305SS..Hα-helixtrans-66.7-33179.3-72.8178.3-172.700113.3R89 N90 E95R89-E93 WeakPolarHBondContact CD-OE1 3.34Å; R89-E93 HydrophobicContact CG-CG 4.36Å; R89-E93 VanDerWaalsContact CG-OE1 3.28Å; R89-E93 WeakPolarHBondContact CG-OE1 3.47Å; R89-E93 IonicContact NE-OE1 3.54Å; R89-E93 WeakPolarHBondContact O-CG 3.36Å; R89-E93 PolarHBondContact O-N 2.86Å; N90-E93 PolarHBondContact O-N 3.42Å; E93-E95 VanDerWaalsContact C-N 3.26Å
94F97.7Very high97.8Very high44 Ų4463.4 Ų63.419%0.19331%0.311CS..THydrogen-bonded Turntrans-84.21.8173-78.5-107.9000113.1C9 Q12 V13 I64 M68 N90 E92 L96C9-F94 HydrophobicContact CB-CE1 4.3Å; C9-F94 WeakPolarHBondContact O-CZ 3.42Å; Q12-F94 HydrophobicContact CB-CE2 4.45Å; Q12-F94 HydrophobicContact CB-CZ 3.92Å; V13-F94 HydrophobicContact CG2-CE2 4.05Å; V13-F94 HydrophobicContact CG2-CZ 3.76Å; I64-F94 HydrophobicContact CG2-CD1 4.07Å; I64-F94 HydrophobicContact CG2-CE1 4.17Å; I64-F94 HydrophobicContact CG2-CG 4.32Å; I64-F94 HydrophobicContact CG2-CZ 4.5Å; M68-F94 HydrophobicContact CE-CD1 4.5Å; M68-F94 HydrophobicContact SD-CD1 3.95Å; M68-F94 HydrophobicContact SD-CE1 4.02Å; N90-F94 WeakPolarHBondContact O-CB 3.44Å; N90-F94 WeakPolarHBondContact O-CD2 3.4Å; N90-F94 PolarHBondContact O-N 3.36Å; E92-F94 VanDerWaalsContact C-N 3.34Å; E92-F94 PolarHBondContact O-N 2.87Å; F94-L96 HydrophobicContact CB-CD1 3.99Å; F94-L96 HydrophobicContact CB-CG 3.8Å; F94-L96 PolarHBondContact O-N 2.85Å
95E97.8Very high97.5Very high171 Ų17165.4 Ų65.480%0.79932%0.322SS*.THydrogen-bonded Turntrans54.633.4-179-55.3-174.6133.500113.5S91 E92 E93S91-E95 PolarHBondContact O-N 3.34Å; E92-E95 PolarHBondContact O-N 3.43Å; E93-E95 VanDerWaalsContact C-N 3.26Å
96L97.4Very high97.1Very high33 Ų3360.7 Ų60.717%0.17330%0.301CS..  trans-81.7126.7-177.8-63.4175.1000110.9I64 A67 M68 S91 F94 V99I64-L96 HydrophobicContact CB-CD1 4.16Å; I64-L96 HydrophobicContact CG1-CD1 4.04Å; I64-L96 HydrophobicContact CG2-CD1 3.93Å; A67-L96 HydrophobicContact CB-CD1 3.91Å; A67-L96 HydrophobicContact CB-CD2 4.16Å; A67-L96 HydrophobicContact CB-CG 4.49Å; M68-L96 HydrophobicContact CG-CD2 4.18Å; S91-L96 PolarHBondContact O-N 3.48Å; F94-L96 HydrophobicContact CB-CD1 3.99Å; F94-L96 HydrophobicContact CB-CG 3.8Å; F94-L96 PolarHBondContact O-N 2.85Å; L96-V99 HydrophobicContact CB-CG2 4.22Å; L96-V99 HydrophobicContact CD1-CG2 4.29Å
97T96.9Very high96.3Very high139 Ų13962.9 Ų62.985%0.85332%0.317SS*.SBendtrans-107.3-8.1-179.155.30000113.4
98N97.9Very high95.6Very high30 Ų3067.2 Ų67.216%0.1635%0.347CS..SBendtrans-10635-17759-26.3000112.1A67 A71 L73 C74A67-N98 WeakPolarHBondContact CB-OD1 3.32Å; A67-N98 PolarHBondContact O-ND2 3.47Å; A67-N98 VanDerWaalsContact O-ND2 3.08Å; A71-N98 PolarHBondContact O-ND2 3.39Å; L73-N98 WeakPolarHBondContact CA-O 3.45Å; C74-N98 PolarHBondContact N-O 3.01Å
99V98.3Very high95Very high23 Ų2363.1 Ų63.114%0.13933%0.331CS..EExtended strand (participates in β ladder)trans-129.3139177.4175.50000110.2A67 C74 F87 L96A67-V99 HydrophobicContact CB-CG2 3.53Å; C74-V99 CarbonylContact O-C 3.54Å; C74-V99 VanDerWaalsContact O-CA 3.29Å; C74-V99 WeakPolarHBondContact O-CA 3.43Å; F87-V99 HydrophobicContact CE1-CG1 4.36Å; F87-V99 HydrophobicContact CE2-CG1 3.69Å; F87-V99 HydrophobicContact CZ-CG1 3.34Å; L96-V99 HydrophobicContact CB-CG2 4.22Å; L96-V99 HydrophobicContact CD1-CG2 4.29Å
100D98.2Very high94.4Very high86 Ų8669.3 Ų69.346%0.4635%0.354SS..EExtended strand (participates in β ladder)trans-133.9159.4169.8-1615.2000110.8L73 C74 V75 G76L73-D100 HydrophobicContact CD1-CB 4.25Å; C74-D100 PolarHBondContact O-N 3.41Å; V75-D100 CarbonylContact C-O 3.51Å; V75-D100 WeakPolarHBondContact CA-O 3.47Å; V75-D100 HydrophobicContact CG2-CB 4.33Å; G76-D100 PolarHBondContact N-O 3.17Å
101L97.9Very high93.5Very high45 Ų4570.1 Ų70.124%0.23636%0.36CS..EExtended strand (participates in β ladder)trans-130.5133.6-172.4-54.7114.4000111.1L84 F87 K88L84-L101 HydrophobicContact CB-CD2 4.49Å; L84-L101 HydrophobicContact CD2-CB 4.42Å; L84-L101 HydrophobicContact CD2-CD2 3.9Å; F87-L101 HydrophobicContact CB-CD2 3.81Å; F87-L101 HydrophobicContact CD1-CD2 3.18Å; F87-L101 HydrophobicContact CD1-CG 4.3Å; F87-L101 HydrophobicContact CD2-CD2 4.25Å; F87-L101 HydrophobicContact CE1-CD2 3.6Å; F87-L101 HydrophobicContact CE1-CG 4.26Å; F87-L101 HydrophobicContact CG-CD2 3.5Å; F87-L101 VanDerWaalsContact CG-CD2 3.5Å; F87-L101 HydrophobicContact CZ-CD2 4.23Å; K88-L101 HydrophobicContact CB-CD1 4.23Å; K88-L101 HydrophobicContact CG-CD1 4.44Å
102I97.1Very high92.8Very high46 Ų4677.1 Ų77.124%0.23639%0.391CS..EExtended strand (participates in β ladder)trans-127118.2175.9-62.1179.3000109.2V75 G76 F77 D78 C104V75-I102 HydrophobicContact CG1-CD1 3.75Å; V75-I102 HydrophobicContact CG1-CG1 3.96Å; G76-I102 PolarHBondContact O-N 3.22Å; F77-I102 WeakPolarHBondContact CA-O 3.18Å; F77-I102 HydrophobicContact CD1-CB 3.85Å; F77-I102 HydrophobicContact CD1-CD1 4.4Å; F77-I102 HydrophobicContact CD1-CG2 3.98Å; F77-I102 HydrophobicContact CE1-CB 3.97Å; F77-I102 HydrophobicContact CE1-CD1 3.63Å; F77-I102 HydrophobicContact CE1-CG1 4.31Å; F77-I102 HydrophobicContact CE1-CG2 4.08Å; F77-I102 HydrophobicContact CZ-CD1 3.92Å; D78-I102 PolarHBondContact N-O 3.18Å; I102-C104 HydrophobicContact CG2-CB 4.27Å; I102-C104 PolarHBondContact O-N 3.39Å
103Q97.4Very high92.4Very high116 Ų11674.5 Ų74.554%0.54239%0.39SS..EExtended strand (participates in β ladder)trans-75.8116.3167.4-166.3-171.51200109.9D78 I79 L84D78-Q103 CarbonylContact O-C 3.51Å; D78-Q103 VanDerWaalsContact O-CA 3.28Å; D78-Q103 WeakPolarHBondContact O-CA 3.31Å; I79-Q103 PolarHBondContact O-NE2 3.44Å; I79-Q103 VanDerWaalsContact O-NE2 3.11Å; L84-Q103 HydrophobicContact CD1-CB 3.57Å; L84-Q103 HydrophobicContact CD1-CG 3.88Å
104C93.9Very high92Very high20 Ų2072.4 Ų72.414%0.13538%0.378CS..  trans-155.9151.3174.774.60000113.1D78 I79 I102 M106 L109D78-C104 CarbonylContact C-O 3.53Å; D78-C104 VanDerWaalsContact C-O 3.28Å; D78-C104 PolarHBondContact O-N 2.89Å; I79-C104 VanDerWaalsContact CA-O 3.24Å; I79-C104 WeakPolarHBondContact CA-O 3.46Å; I79-C104 PolarHBondContact N-O 2.96Å; I102-C104 HydrophobicContact CG2-CB 4.27Å; I102-C104 PolarHBondContact O-N 3.39Å; C104-M106 PolarHBondContact O-N 2.94Å; C104-L109 HydrophobicContact CB-CD1 4.32Å
105D93Very high91.9Very high55 Ų5572.1 Ų72.129%0.29438%0.383SS..  trans-81.7113.8163.517317.4000109.7I79 C107 S108 L109I79-D105 HydrophobicContact CD1-CB 3.74Å; I79-D105 HydrophobicContact CG1-CB 4.1Å; D105-C107 PolarHBondContact O-N 3.44Å; D105-C107 VanDerWaalsContact OD1-CB 3.28Å; D105-C107 WeakPolarHBondContact OD1-CB 3.22Å; D105-C107 PolarHBondContact OD1-N 3.45Å; D105-S108 CarbonylContact O-C 3.6Å; D105-S108 PolarHBondContact O-N 3.02Å; D105-S108 WeakPolarHBondContact OD2-CB 3.24Å; D105-S108 PolarHBondContact OD2-N 3.04Å; D105-S108 PolarHBondContact OD2-OG 3.18Å; D105-L109 PolarHBondContact O-N 2.79Å
106M88.8Confident91.8Very high10 Ų1068.7 Ų68.75%0.04937%0.366CS..THydrogen-bonded Turntrans-59.6-26178.4-68.3-54.5-53.200113.5L55 F77 C104 S108 L109 F139 T142L55-M106 HydrophobicContact CB-CE 4.39Å; L55-M106 HydrophobicContact CD1-CE 3.82Å; L55-M106 HydrophobicContact CD2-CE 3.75Å; L55-M106 HydrophobicContact CD2-SD 4.14Å; L55-M106 HydrophobicContact CG-CE 4.2Å; F77-M106 HydrophobicContact CB-SD 3.88Å; F77-M106 HydrophobicContact CG-SD 4.48Å; C104-M106 PolarHBondContact O-N 2.94Å; M106-S108 VanDerWaalsContact C-N 3.35Å; M106-L109 HydrophobicContact CE-CD2 3.72Å; M106-L109 HydrophobicContact SD-CD2 4.08Å; M106-F139 HydrophobicContact CB-CD2 4.16Å; M106-F139 HydrophobicContact CB-CE1 4.27Å; M106-F139 HydrophobicContact CB-CE2 3.54Å; M106-F139 HydrophobicContact CB-CZ 3.62Å; M106-F139 HydrophobicContact CG-CE1 3.79Å; M106-F139 HydrophobicContact CG-CE2 3.97Å; M106-F139 HydrophobicContact CG-CZ 3.48Å; M106-F139 VanDerWaalsContact CG-CZ 3.48Å; M106-T142 HydrophobicContact CE-CG2 3.41Å; M106-T142 VanDerWaalsContact CE-CG2 3.41Å
107C81.8Confident91.8Very high58 Ų5873.3 Ų73.339%0.39238%0.384SS..THydrogen-bonded Turntrans-74.9-28.2176.1-59.90000112.2D105 M135 Q138D105-C107 PolarHBondContact O-N 3.44Å; D105-C107 VanDerWaalsContact OD1-CB 3.28Å; D105-C107 WeakPolarHBondContact OD1-CB 3.22Å; D105-C107 PolarHBondContact OD1-N 3.45Å; C107-M135 PolarHBondContact SG-SD 3.39Å; C107-Q138 PolarHBondContact SG-OE1 3.15Å
108S84.9Confident91.8Very high91 Ų9167.1 Ų67.164%0.63635%0.346SS*.THydrogen-bonded Turntrans-99.7-7.7-179.7-60.50000112.8D105 M106 R110D105-S108 CarbonylContact O-C 3.6Å; D105-S108 PolarHBondContact O-N 3.02Å; D105-S108 WeakPolarHBondContact OD2-CB 3.24Å; D105-S108 PolarHBondContact OD2-N 3.04Å; D105-S108 PolarHBondContact OD2-OG 3.18Å; M106-S108 VanDerWaalsContact C-N 3.35Å; S108-R110 PolarHBondContact O-N 3.31Å
109L85.1Confident91.9Very high27 Ų2768.3 Ų68.314%0.14135%0.352CS..  trans-61.8125.8-179.6-170.170.2000110C104 D105 M106 S111 Y114 T142 M146C104-L109 HydrophobicContact CB-CD1 4.32Å; D105-L109 PolarHBondContact O-N 2.79Å; M106-L109 HydrophobicContact CE-CD2 3.72Å; M106-L109 HydrophobicContact SD-CD2 4.08Å; L109-S111 PolarHBondContact O-N 3.12Å; L109-Y114 HydrophobicContact CD1-CD2 4.14Å; L109-Y114 HydrophobicContact CD1-CE2 3.67Å; L109-Y114 HydrophobicContact CD2-CD2 4.27Å; L109-Y114 HydrophobicContact CG-CD2 4.27Å; L109-Y114 HydrophobicContact CG-CE2 4.3Å; L109-T142 HydrophobicContact CD2-CG2 4.12Å; L109-M146 HydrophobicContact CD2-SD 4.21Å
110R86.6Confident91.9Very high212 Ų21267.2 Ų67.280%0.835%0.345SS*.  trans-72.475.5168.4-65.5-176.3-178.6179.81.2108.8S108 H112 A113S108-R110 PolarHBondContact O-N 3.31Å; R110-H112 PolarHBondContact O-N 3.31Å; R110-A113 VanDerWaalsContact O-CB 3.26Å; R110-A113 WeakPolarHBondContact O-CB 3.49Å; R110-A113 PolarHBondContact O-N 3.19Å
111S79.2Confident91.9Very high17 Ų1763.1 Ų63.112%0.11932%0.323CS..G310 helixtrans-52.6-28.1-174.357.80000113.8L109 A113 Y114 A115L109-S111 PolarHBondContact O-N 3.12Å; S111-A113 VanDerWaalsContact C-N 3.28Å; S111-A113 PolarHBondContact O-N 3.05Å; S111-Y114 CarbonylContact O-C 3.59Å; S111-Y114 WeakPolarHBondContact O-CA 3.3Å; S111-Y114 PolarHBondContact O-N 3.3Å; S111-A115 PolarHBondContact O-N 3.43Å; S111-A115 VanDerWaalsContact O-N 3.08Å
112H83.5Confident92Very high159 Ų15961 Ų6174%0.73631%0.312SS*.G310 helixtrans-64.1-27.7175-66.677.2000113.7R110 Y114 A115R110-H112 PolarHBondContact O-N 3.31Å; H112-Y114 PolarHBondContact O-N 3.45Å; H112-A115 WeakPolarHBondContact O-CB 3.36Å; H112-A115 PolarHBondContact O-N 3.43Å
113A88.9Confident92Very high68 Ų6858.8 Ų58.856%0.56230%0.301SS*.G310 helixtrans-65.9-26.4172.400000111.8R110 S111R110-A113 VanDerWaalsContact O-CB 3.26Å; R110-A113 WeakPolarHBondContact O-CB 3.49Å; R110-A113 PolarHBondContact O-N 3.19Å; S111-A113 VanDerWaalsContact C-N 3.28Å; S111-A113 PolarHBondContact O-N 3.05Å
114Y90.1Very high92Very high71 Ų7154 Ų5428%0.27828%0.279SS..G310 helixtrans-104.411.3177.5-62.5-86.7000112.7F77 L109 S111 H112 K116 K117 F118 M146F77-Y114 HydrophobicContact CE1-CE1 4.31Å; F77-Y114 HydrophobicContact CZ-CE1 4.35Å; L109-Y114 HydrophobicContact CD1-CD2 4.14Å; L109-Y114 HydrophobicContact CD1-CE2 3.67Å; L109-Y114 HydrophobicContact CD2-CD2 4.27Å; L109-Y114 HydrophobicContact CG-CD2 4.27Å; L109-Y114 HydrophobicContact CG-CE2 4.3Å; S111-Y114 CarbonylContact O-C 3.59Å; S111-Y114 WeakPolarHBondContact O-CA 3.3Å; S111-Y114 PolarHBondContact O-N 3.3Å; H112-Y114 PolarHBondContact O-N 3.45Å; Y114-K116 PolarHBondContact O-N 2.93Å; Y114-K117 WeakPolarHBondContact O-CB 3.42Å; Y114-K117 WeakPolarHBondContact O-CG 3.26Å; Y114-K117 PolarHBondContact O-N 3.12Å; Y114-F118 HydrophobicContact CD1-CE2 4.09Å; Y114-M146 HydrophobicContact CG-CE 4.39Å; Y114-M146 WeakPolarHBondContact O-CA 3.38Å
115A94.8Very high92Very high37 Ų3753 Ų5331%0.30627%0.273SS..THydrogen-bonded Turntrans-60125.3-176.600000110.7S111 H112 K117 T145S111-A115 PolarHBondContact O-N 3.43Å; S111-A115 VanDerWaalsContact O-N 3.08Å; H112-A115 WeakPolarHBondContact O-CB 3.36Å; H112-A115 PolarHBondContact O-N 3.43Å; A115-K117 PolarHBondContact O-N 2.93Å; A115-T145 WeakPolarHBondContact CA-O 3.17Å; A115-T145 HydrophobicContact CB-CG2 4.08Å
116K95.8Very high91.9Very high100 Ų10051.1 Ų51.144%0.43526%0.263SS..THydrogen-bonded Turntrans54.238.2177.2-55.1-57.6177-175.60112.6Y114 L144 T145 M146 A147 T148Y114-K116 PolarHBondContact O-N 2.93Å; K116-L144 PolarHBondContact NZ-O 3.36Å; K116-T145 PolarHBondContact N-O 3.39Å; K116-M146 CarbonylContact C-O 3.59Å; K116-M146 VanDerWaalsContact CA-O 3.28Å; K116-M146 WeakPolarHBondContact CA-O 3.41Å; K116-M146 PolarHBondContact N-O 3.28Å; K116-A147 WeakPolarHBondContact CD-O 3.16Å; K116-A147 WeakPolarHBondContact CE-O 3.3Å; K116-A147 PolarHBondContact NZ-O 2.65Å; K116-T148 HydrophobicContact CB-CG2 3.86Å; K116-T148 HydrophobicContact CD-CG2 4.4Å; K116-T148 WeakPolarHBondContact O-CG2 3.41Å
117K97.1Very high91.6Very high129 Ų12951.2 Ų51.256%0.56126%0.263SS*.  trans-99.8-20.9178.9-66.3-57.7-175.4-178.60114L51 Y114 A115 M146L51-K117 WeakPolarHBondContact CD2-O 3.49Å; Y114-K117 WeakPolarHBondContact O-CB 3.42Å; Y114-K117 WeakPolarHBondContact O-CG 3.26Å; Y114-K117 PolarHBondContact O-N 3.12Å; A115-K117 PolarHBondContact O-N 2.93Å; K117-M146 PolarHBondContact N-O 3.04Å; K117-M146 VanDerWaalsContact N-O 3.08Å
118F98.3Very high91.3Very high10 Ų1049.2 Ų49.24%0.04425%0.253CS..EExtended strand (participates in β ladder)trans-112.3140.5179.3-68.7-88.5000109.3L51 V52 A53 V75 F77 Y114 V121 M146 A147 T148L51-F118 HydrophobicContact CD1-CD1 3.93Å; L51-F118 HydrophobicContact CD1-CE1 3.81Å; L51-F118 HydrophobicContact CD2-CD1 4.33Å; L51-F118 HydrophobicContact CG-CD1 3.59Å; L51-F118 HydrophobicContact CG-CE1 3.94Å; L51-F118 HydrophobicContact CG-CG 4.41Å; V52-F118 VanDerWaalsContact C-CD1 3.48Å; A53-F118 HydrophobicContact CB-CB 4.27Å; A53-F118 HydrophobicContact CB-CD1 3.54Å; A53-F118 HydrophobicContact CB-CD2 3.97Å; A53-F118 HydrophobicContact CB-CE1 3.77Å; A53-F118 HydrophobicContact CB-CE2 4.17Å; A53-F118 HydrophobicContact CB-CG 3.65Å; A53-F118 HydrophobicContact CB-CZ 4.08Å; V75-F118 HydrophobicContact CB-CE1 3.81Å; V75-F118 HydrophobicContact CB-CZ 4.02Å; V75-F118 HydrophobicContact CG2-CE1 3.76Å; V75-F118 HydrophobicContact CG2-CZ 4.13Å; F77-F118 HydrophobicContact CE2-CE2 4.23Å; F77-F118 AromaticContact CE2-CZ 3.85Å; F77-F118 HydrophobicContact CE2-CZ 3.85Å; F77-F118 HydrophobicContact CZ-CE2 4.04Å; F77-F118 AromaticContact CZ-CZ 3.81Å; F77-F118 HydrophobicContact CZ-CZ 3.81Å; Y114-F118 HydrophobicContact CD1-CE2 4.09Å; F118-V121 HydrophobicContact CB-CG2 4.32Å; F118-M146 HydrophobicContact CD2-CB 4.34Å; F118-M146 HydrophobicContact CD2-CE 3.65Å; F118-M146 HydrophobicContact CE2-CE 3.49Å; F118-M146 VanDerWaalsContact CE2-CE 3.49Å; F118-M146 HydrophobicContact CZ-CE 4.44Å; F118-M146 PolarHBondContact N-O 3.17Å; F118-A147 CarbonylContact O-C 3.42Å; F118-A147 VanDerWaalsContact O-CA 3.29Å; F118-A147 WeakPolarHBondContact O-CA 3Å; F118-T148 PolarHBondContact O-N 2.68Å; F118-T148 PolarHBondContact O-OG1 3.28Å
119D98.5Very high90.7Very high54 Ų5448 Ų4829%0.28924%0.242SC..EExtended strand (participates in β ladder)trans-66.2-48.6174.4-65-51.9000110.5K50 L51 T148 T149 A150K50-D119 HydrophobicContact CB-CB 3.95Å; K50-D119 HydrophobicContact CD-CB 4.32Å; K50-D119 HydrophobicContact CG-CB 4.4Å; L51-D119 PolarHBondContact N-OD2 2.93Å; L51-D119 PolarHBondContact O-N 2.87Å; D119-T148 VanDerWaalsContact CA-OG1 3.26Å; D119-T148 WeakPolarHBondContact CA-OG1 3.27Å; D119-T149 VanDerWaalsContact O-CB 3.29Å; D119-T149 WeakPolarHBondContact O-CB 3.35Å; D119-T149 PolarHBondContact O-N 3.17Å; D119-A150 PolarHBondContact O-N 3.35Å
120T98.8Very high89.7Confident0 Ų055.5 Ų55.50%027%0.273CS..EExtended strand (participates in β ladder)trans-130.9138-175.1-56.10000109.9D46 L51 V52 A53 I122 A150 Y152D46-T120 HydrophobicContact CB-CG2 4.27Å; D46-T120 VanDerWaalsContact O-CB 3.29Å; D46-T120 WeakPolarHBondContact O-CB 3.43Å; D46-T120 PolarHBondContact O-OG1 3.17Å; L51-T120 PolarHBondContact O-N 3.07Å; V52-T120 CarbonylContact C-O 3.59Å; V52-T120 VanDerWaalsContact CA-O 3.31Å; V52-T120 WeakPolarHBondContact CA-O 3.32Å; A53-T120 PolarHBondContact N-O 2.94Å; T120-I122 HydrophobicContact CG2-CG2 4.08Å; T120-A150 WeakPolarHBondContact CA-O 3.05Å; T120-Y152 HydrophobicContact CG2-CD2 3.58Å; T120-Y152 HydrophobicContact CG2-CE2 3.71Å
121V98.8Very high88.7Confident0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-114.6128.8167.6-177.10000108.8A53 L55 F118 A143 M146 A147 A150 V151 Y152A53-V121 HydrophobicContact CB-CG1 4.37Å; A53-V121 HydrophobicContact CB-CG2 4.19Å; A53-V121 CarbonylContact O-C 3.58Å; A53-V121 WeakPolarHBondContact O-CA 3.5Å; L55-V121 HydrophobicContact CD1-CG1 3.73Å; L55-V121 HydrophobicContact CD2-CG1 4.46Å; L55-V121 HydrophobicContact CG-CG1 3.66Å; F118-V121 HydrophobicContact CB-CG2 4.32Å; V121-A143 HydrophobicContact CB-CB 4.12Å; V121-A143 HydrophobicContact CG1-CB 3.64Å; V121-M146 HydrophobicContact CG2-CB 4.03Å; V121-A147 HydrophobicContact CB-CB 4.43Å; V121-A147 HydrophobicContact CG2-CB 3.79Å; V121-A150 PolarHBondContact N-O 2.83Å; V121-V151 HydrophobicContact CB-CG2 4.22Å; V121-V151 CarbonylContact O-C 3.59Å; V121-V151 VanDerWaalsContact O-CA 3.32Å; V121-V151 WeakPolarHBondContact O-CA 3.28Å; V121-Y152 PolarHBondContact O-N 3.31Å
122I98.8Very high88.4Confident0 Ų053.4 Ų53.40%027%0.271CS..EExtended strand (participates in β ladder)trans-114.3148.7174.165.3-178.9000109.2M36 L37 I40 V52 A53 D54 L55 L62 A66 T120 Y152M36-I122 HydrophobicContact CE-CB 4.27Å; L37-I122 HydrophobicContact CD2-CD1 3.92Å; I40-I122 HydrophobicContact CD1-CG2 3.85Å; V52-I122 HydrophobicContact CG1-CD1 3.93Å; V52-I122 HydrophobicContact CG1-CG1 4Å; V52-I122 HydrophobicContact CG1-CG2 4.27Å; A53-I122 PolarHBondContact O-N 3.33Å; D54-I122 WeakPolarHBondContact CA-O 3.41Å; D54-I122 HydrophobicContact CB-CD1 4.45Å; D54-I122 HydrophobicContact CB-CG1 4.03Å; L55-I122 PolarHBondContact N-O 3.23Å; L55-I122 VanDerWaalsContact N-O 3.14Å; L62-I122 HydrophobicContact CB-CD1 3.89Å; L62-I122 HydrophobicContact CB-CG1 4.49Å; A66-I122 HydrophobicContact CB-CD1 4.12Å; T120-I122 HydrophobicContact CG2-CG2 4.08Å; I122-Y152 CarbonylContact C-O 3.59Å; I122-Y152 WeakPolarHBondContact CA-O 3.45Å; I122-Y152 HydrophobicContact CG2-CD2 4.43Å
123M98.1Very high88.2Confident0 Ų053.3 Ų53.30%027%0.271CS..EExtended strand (participates in β ladder)trans-164.3151.6175.251.9-176.2173.500113.1L55 P125 F139 L140 A143 V151 Y152 S153 L154L55-M123 HydrophobicContact CB-CB 4.18Å; L55-M123 HydrophobicContact CB-SD 4.45Å; L55-M123 HydrophobicContact CD1-SD 4.39Å; L55-M123 WeakPolarHBondContact O-CB 3.36Å; M123-P125 HydrophobicContact CG-CG 4.48Å; M123-P125 HydrophobicContact SD-CB 4.46Å; M123-P125 HydrophobicContact SD-CG 4.4Å; M123-F139 HydrophobicContact SD-CB 3.99Å; M123-F139 HydrophobicContact SD-CD1 4.48Å; M123-L140 HydrophobicContact CE-CB 4.19Å; M123-L140 HydrophobicContact CE-CD1 3.73Å; M123-A143 HydrophobicContact CE-CB 3.71Å; M123-A143 HydrophobicContact SD-CB 4.14Å; M123-V151 HydrophobicContact CE-CG1 3.63Å; M123-Y152 PolarHBondContact N-O 2.91Å; M123-S153 VanDerWaalsContact CE-CB 3.47Å; M123-S153 VanDerWaalsContact CE-OG 3.26Å; M123-S153 WeakPolarHBondContact CE-OG 3.44Å; M123-S153 WeakPolarHBondContact O-CA 3.49Å; M123-L154 PolarHBondContact O-N 2.79Å
124N96.6Very high88.1Confident15 Ų1551.5 Ų51.58%0.0826%0.259CS..  trans-119.580.4159.7176.724.3000107.5T28 L62 L154 Y182T28-N124 WeakPolarHBondContact OG1-CB 3.36Å; T28-N124 PolarHBondContact OG1-ND2 2.96Å; L62-N124 HydrophobicContact CD1-CB 4.26Å; N124-L154 HydrophobicContact CB-CD1 4.04Å; N124-Y182 PolarHBondContact ND2-OH 3.21Å; N124-Y182 VanDerWaalsContact ND2-OH 3.07Å
125P94.2Very high88Confident0 Ų049.9 Ų49.90%026%0.255CS..  trans-72.4160.3-168.331.2-36.1000112M123 F127 D136 F139 L154M123-P125 HydrophobicContact CG-CG 4.48Å; M123-P125 HydrophobicContact SD-CB 4.46Å; M123-P125 HydrophobicContact SD-CG 4.4Å; P125-F127 PolarHBondContact O-N 2.9Å; P125-D136 HydrophobicContact CG-CB 4.35Å; P125-F139 HydrophobicContact CB-CB 3.98Å; P125-F139 HydrophobicContact CB-CD1 3.92Å; P125-F139 HydrophobicContact CB-CG 4.06Å; P125-L154 WeakPolarHBondContact CD-O 3.28Å
126P90.5Very high87.8Confident16 Ų1648.8 Ų48.810%0.10424%0.244CC..  trans-56.5128.1168.825.4-35.2000110.1E24 G128 M135 D136 F139E24-P126 HydrophobicContact CB-CB 3.96Å; E24-P126 HydrophobicContact CG-CB 4.31Å; P126-G128 PolarHBondContact O-N 3.25Å; P126-M135 HydrophobicContact CG-CB 3.98Å; P126-M135 HydrophobicContact CG-CE 4.26Å; P126-D136 WeakPolarHBondContact O-CB 3.5Å; P126-D136 PolarHBondContact O-N 2.99Å; P126-F139 HydrophobicContact CG-CE2 4.37Å; P126-F139 HydrophobicContact CG-CZ 4.45Å
127F83.9Confident87.7Confident11 Ų1145.2 Ų45.25%0.04823%0.229CC..  trans-78.914.9-172-64-56000114.2E24 Y26 P125 K156 V200E24-F127 PolarHBondContact OE2-N 2.84Å; Y26-F127 HydrophobicContact CE2-CE2 4.02Å; Y26-F127 AromaticContact CZ-CD2 3.87Å; Y26-F127 AromaticContact CZ-CE2 3.71Å; Y26-F127 WeakPolarHBondContact OH-CD2 3.1Å; Y26-F127 WeakPolarHBondContact OH-CE2 3.26Å; P125-F127 PolarHBondContact O-N 2.9Å; F127-K156 HydrophobicContact CB-CD 4.01Å; F127-K156 HydrophobicContact CB-CG 4.22Å; F127-K156 VanDerWaalsContact CB-NZ 3.27Å; F127-K156 HydrophobicContact CD1-CG 4.09Å; F127-K156 HydrophobicContact CD2-CG 4.46Å; F127-K156 HydrophobicContact CG-CD 4.35Å; F127-K156 HydrophobicContact CG-CG 4.04Å; F127-K156 PolarHBondContact O-NZ 3.09Å; F127-K156 VanDerWaalsContact O-NZ 3.15Å; F127-V200 HydrophobicContact CE1-CG1 4.19Å; F127-V200 HydrophobicContact CE2-CG1 4.26Å; F127-V200 HydrophobicContact CZ-CG1 3.66Å
128G74.4Confident87.5Confident16 Ų1643.6 Ų43.617%0.16522%0.223CC..  trans5960.2176.400000114.2E24 P126 N132E24-G128 PolarHBondContact OE1-N 3.18Å; P126-G128 PolarHBondContact O-N 3.25Å; G128-N132 WeakPolarHBondContact CA-O 3.29Å
129T73.1Confident87.4Confident66 Ų6643.7 Ų43.741%0.40522%0.224SC..  trans-65.5-177.317062.10000111.6E24 H131 N132 Q133E24-T129 PolarHBondContact OE1-N 3.46Å; E24-T129 PolarHBondContact OE1-OG1 3.3Å; T129-H131 PolarHBondContact O-N 2.94Å; T129-N132 CarbonylContact O-C 3.57Å; T129-N132 PolarHBondContact O-N 3.12Å; T129-Q133 PolarHBondContact O-N 3.34Å
130K63.2Low87.3Confident185 Ų18541.1 Ų41.180%0.80421%0.21SC*.THydrogen-bonded Turntrans-45.7-31.5-168.7-80.4-175.3176.2-178.70115.9
131H66.3Low87.1Confident150 Ų15046.9 Ų46.969%0.69423%0.231SC*.THydrogen-bonded Turntrans-98.4-9.2-178.3-61.6-69.5000114.6T129T129-H131 PolarHBondContact O-N 2.94Å
132N72.6Confident86.9Confident34 Ų3447.6 Ų47.618%0.18224%0.236CC..SBendtrans-126.225.4-171-73-23.1000112.5L22 E24 G128 T129 G134 M135L22-N132 PolarHBondContact O-ND2 3.38Å; E24-N132 WeakPolarHBondContact OE1-CB 3.48Å; E24-N132 PolarHBondContact OE1-ND2 3.2Å; G128-N132 WeakPolarHBondContact CA-O 3.29Å; T129-N132 CarbonylContact O-C 3.57Å; T129-N132 PolarHBondContact O-N 3.12Å; N132-G134 PolarHBondContact O-N 2.96Å; N132-G134 VanDerWaalsContact O-N 3.15Å; N132-M135 HydrophobicContact CB-CB 4.37Å; N132-M135 HydrophobicContact CB-CG 3.73Å; N132-M135 VanDerWaalsContact O-CB 3.3Å; N132-M135 WeakPolarHBondContact O-CB 3.09Å; N132-M135 WeakPolarHBondContact O-CG 3.38Å; N132-M135 PolarHBondContact O-N 3.43Å
133Q80.3Confident86.8Confident157 Ų15747.6 Ų47.673%0.73424%0.236SC*.THydrogen-bonded Turntrans-54124.1-173.7-69.1-173.5-15.800111.9T129T129-Q133 PolarHBondContact O-N 3.34Å
134G85.1Confident86.8Confident30 Ų3048.6 Ų48.631%0.30924%0.241SC..THydrogen-bonded Turntrans84.62.6178.600000115.6N132 D136 M137 Q138N132-G134 PolarHBondContact O-N 2.96Å; N132-G134 VanDerWaalsContact O-N 3.15Å; G134-D136 VanDerWaalsContact C-N 3.32Å; G134-D136 PolarHBondContact O-N 2.9Å; G134-M137 PolarHBondContact O-N 3.29Å; G134-Q138 PolarHBondContact O-N 2.92Å
135M89.3Confident86.8Confident38 Ų3849.2 Ų49.219%0.18725%0.246CC..Hα-helixtrans-57.7-43.3175.1-77.8-69.1-71.400112.4C107 P126 N132 M137 Q138 F139C107-M135 PolarHBondContact SG-SD 3.39Å; P126-M135 HydrophobicContact CG-CB 3.98Å; P126-M135 HydrophobicContact CG-CE 4.26Å; N132-M135 HydrophobicContact CB-CB 4.37Å; N132-M135 HydrophobicContact CB-CG 3.73Å; N132-M135 VanDerWaalsContact O-CB 3.3Å; N132-M135 WeakPolarHBondContact O-CB 3.09Å; N132-M135 WeakPolarHBondContact O-CG 3.38Å; N132-M135 PolarHBondContact O-N 3.43Å; M135-M137 VanDerWaalsContact C-N 3.27Å; M135-M137 PolarHBondContact O-N 3.45Å; M135-Q138 PolarHBondContact O-N 3.19Å; M135-Q138 VanDerWaalsContact O-N 3.12Å; M135-F139 HydrophobicContact CE-CD2 4.44Å; M135-F139 HydrophobicContact CE-CE2 3.71Å; M135-F139 VanDerWaalsContact O-CD2 3.32Å; M135-F139 WeakPolarHBondContact O-CD2 3.39Å; M135-F139 PolarHBondContact O-N 3.49Å
136D91.4Very high86.9Confident14 Ų1449.2 Ų49.28%0.07525%0.246CC..Hα-helixtrans-57.2-40176.265.4-35.9000112.4P125 P126 G134 L140 H155P125-D136 HydrophobicContact CG-CB 4.35Å; P126-D136 WeakPolarHBondContact O-CB 3.5Å; P126-D136 PolarHBondContact O-N 2.99Å; G134-D136 VanDerWaalsContact C-N 3.32Å; G134-D136 PolarHBondContact O-N 2.9Å; D136-L140 WeakPolarHBondContact O-CB 3.45Å; D136-L140 PolarHBondContact O-N 3.35Å; D136-H155 IonicContact OD2-CE1 3.75Å; D136-H155 IonicContact OD2-ND1 3.31Å; D136-H155 PolarHBondContact OD2-ND1 3.02Å
137M93.2Very high87.2Confident24 Ų2448.7 Ų48.712%0.11824%0.242CC..Hα-helixtrans-73.5-31.9177.7-62.4-54.6-50.700113G134 M135 L140 R141 I163 K166 W170G134-M137 PolarHBondContact O-N 3.29Å; M135-M137 VanDerWaalsContact C-N 3.27Å; M135-M137 PolarHBondContact O-N 3.45Å; M137-L140 HydrophobicContact CE-CD2 3.95Å; M137-L140 HydrophobicContact SD-CD2 4.45Å; M137-R141 WeakPolarHBondContact O-CB 3.47Å; M137-R141 PolarHBondContact O-N 3.03Å; M137-I163 HydrophobicContact SD-CG1 3.87Å; M137-K166 HydrophobicContact CE-CB 3.78Å; M137-K166 HydrophobicContact CE-CG 3.85Å; M137-W170 HydrophobicContact CE-CH2 3.58Å; M137-W170 HydrophobicContact CE-CZ2 4.43Å; M137-W170 HydrophobicContact CE-CZ3 4.02Å
138Q92.7Very high87.9Confident95 Ų9550.4 Ų50.444%0.44425%0.254SS..Hα-helixtrans-67.6-46.4173.1-69.2-175.925.400110.9C107 G134 M135 L140 R141 T142C107-Q138 PolarHBondContact SG-OE1 3.15Å; G134-Q138 PolarHBondContact O-N 2.92Å; M135-Q138 PolarHBondContact O-N 3.19Å; M135-Q138 VanDerWaalsContact O-N 3.12Å; Q138-L140 VanDerWaalsContact C-N 3.32Å; Q138-L140 PolarHBondContact O-N 3.5Å; Q138-R141 PolarHBondContact O-N 3.23Å; Q138-T142 PolarHBondContact O-N 2.78Å; Q138-T142 PolarHBondContact O-OG1 2.84Å
139F95.6Very high88.9Confident13 Ų1352.6 Ų52.66%0.05726%0.264CS..Hα-helixtrans-56.1-48.1172.7-88.7-120.6000110.8L55 M106 M123 P125 P126 M135 R141 T142 A143L55-F139 HydrophobicContact CB-CD1 3.91Å; L55-F139 HydrophobicContact CB-CE1 4.18Å; M106-F139 HydrophobicContact CB-CD2 4.16Å; M106-F139 HydrophobicContact CB-CE1 4.27Å; M106-F139 HydrophobicContact CB-CE2 3.54Å; M106-F139 HydrophobicContact CB-CZ 3.62Å; M106-F139 HydrophobicContact CG-CE1 3.79Å; M106-F139 HydrophobicContact CG-CE2 3.97Å; M106-F139 HydrophobicContact CG-CZ 3.48Å; M106-F139 VanDerWaalsContact CG-CZ 3.48Å; M123-F139 HydrophobicContact SD-CB 3.99Å; M123-F139 HydrophobicContact SD-CD1 4.48Å; P125-F139 HydrophobicContact CB-CB 3.98Å; P125-F139 HydrophobicContact CB-CD1 3.92Å; P125-F139 HydrophobicContact CB-CG 4.06Å; P126-F139 HydrophobicContact CG-CE2 4.37Å; P126-F139 HydrophobicContact CG-CZ 4.45Å; M135-F139 HydrophobicContact CE-CD2 4.44Å; M135-F139 HydrophobicContact CE-CE2 3.71Å; M135-F139 VanDerWaalsContact O-CD2 3.32Å; M135-F139 WeakPolarHBondContact O-CD2 3.39Å; M135-F139 PolarHBondContact O-N 3.49Å; F139-R141 VanDerWaalsContact C-N 3.33Å; F139-R141 PolarHBondContact O-N 3.09Å; F139-T142 PolarHBondContact O-N 2.85Å; F139-A143 WeakPolarHBondContact O-CB 3.44Å; F139-A143 PolarHBondContact O-N 2.88Å
140L95.9Very high90.1Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-59.1-42.5178.4-176.459.3000112.8M123 D136 M137 Q138 A143 L144 V151 I163 W170 F205M123-L140 HydrophobicContact CE-CB 4.19Å; M123-L140 HydrophobicContact CE-CD1 3.73Å; D136-L140 WeakPolarHBondContact O-CB 3.45Å; D136-L140 PolarHBondContact O-N 3.35Å; M137-L140 HydrophobicContact CE-CD2 3.95Å; M137-L140 HydrophobicContact SD-CD2 4.45Å; Q138-L140 VanDerWaalsContact C-N 3.32Å; Q138-L140 PolarHBondContact O-N 3.5Å; L140-A143 PolarHBondContact O-N 3.15Å; L140-L144 HydrophobicContact CD1-CD1 4.46Å; L140-L144 HydrophobicContact CD1-CD2 4.19Å; L140-L144 HydrophobicContact CG-CD1 4.27Å; L140-L144 WeakPolarHBondContact O-CB 3.31Å; L140-L144 PolarHBondContact O-N 3.01Å; L140-V151 HydrophobicContact CD1-CG1 4.14Å; L140-I163 HydrophobicContact CD2-CG2 4.01Å; L140-W170 HydrophobicContact CD2-CZ3 4.01Å; L140-W170 HydrophobicContact CG-CZ3 4.06Å; L140-F205 HydrophobicContact CD1-CD2 3.72Å; L140-F205 HydrophobicContact CD1-CE1 4.31Å; L140-F205 HydrophobicContact CD1-CE2 3.5Å; L140-F205 VanDerWaalsContact CD1-CE2 3.5Å; L140-F205 HydrophobicContact CD1-CG 4.23Å; L140-F205 HydrophobicContact CD1-CZ 3.81Å; L140-F205 HydrophobicContact CD2-CE1 4.02Å; L140-F205 HydrophobicContact CD2-CE2 4.25Å; L140-F205 HydrophobicContact CD2-CZ 3.7Å; L140-F205 HydrophobicContact CG-CZ 4.42Å
141R94.7Very high91.8Very high120 Ų12040.9 Ų40.945%0.45321%0.208SC..Hα-helixtrans-65.1-40.3177.5-174.961.8178.2-170.34112.1M137 Q138 F139 T145 W170M137-R141 WeakPolarHBondContact O-CB 3.47Å; M137-R141 PolarHBondContact O-N 3.03Å; Q138-R141 PolarHBondContact O-N 3.23Å; F139-R141 VanDerWaalsContact C-N 3.33Å; F139-R141 PolarHBondContact O-N 3.09Å; R141-T145 PolarHBondContact O-N 2.95Å; R141-T145 PolarHBondContact O-OG1 3.18Å; R141-W170 HydrophobicContact CB-CH2 4.15Å; R141-W170 HydrophobicContact CB-CZ2 4.44Å
142T95.6Very high93.4Very high15 Ų1533.7 Ų33.79%0.09218%0.175CC..Hα-helixtrans-66.4-45.8176.2-65.60000111.2L55 M106 L109 Q138 F139 L144 T145 M146L55-T142 HydrophobicContact CD1-CG2 4.45Å; M106-T142 HydrophobicContact CE-CG2 3.41Å; M106-T142 VanDerWaalsContact CE-CG2 3.41Å; L109-T142 HydrophobicContact CD2-CG2 4.12Å; Q138-T142 PolarHBondContact O-N 2.78Å; Q138-T142 PolarHBondContact O-OG1 2.84Å; F139-T142 PolarHBondContact O-N 2.85Å; T142-L144 PolarHBondContact O-N 3.46Å; T142-T145 WeakPolarHBondContact O-CA 3.25Å; T142-T145 WeakPolarHBondContact O-CB 3.14Å; T142-T145 PolarHBondContact O-N 3.27Å; T142-M146 HydrophobicContact CG2-CG 4.36Å; T142-M146 HydrophobicContact CG2-SD 3.63Å; T142-M146 WeakPolarHBondContact O-CG 3.28Å; T142-M146 PolarHBondContact O-N 2.89Å
143A97.3Very high94.6Very high0 Ų032.1 Ų32.10%017%0.166CC..Hα-helixtrans-56.4-47.817600000112.4L55 V121 M123 F139 L140 T145 M146 A147 V151L55-A143 HydrophobicContact CD1-CB 3.77Å; V121-A143 HydrophobicContact CB-CB 4.12Å; V121-A143 HydrophobicContact CG1-CB 3.64Å; M123-A143 HydrophobicContact CE-CB 3.71Å; M123-A143 HydrophobicContact SD-CB 4.14Å; F139-A143 WeakPolarHBondContact O-CB 3.44Å; F139-A143 PolarHBondContact O-N 2.88Å; L140-A143 PolarHBondContact O-N 3.15Å; A143-T145 PolarHBondContact O-N 2.82Å; A143-M146 PolarHBondContact O-N 2.98Å; A143-M146 VanDerWaalsContact O-N 3.1Å; A143-A147 WeakPolarHBondContact O-CB 3.3Å; A143-A147 PolarHBondContact O-N 3.41Å; A143-V151 HydrophobicContact CB-CB 4.39Å; A143-V151 HydrophobicContact CB-CG1 3.55Å; A143-V151 HydrophobicContact CB-CG2 3.9Å
144L96.8Very high95.3Very high22 Ų2224.6 Ų24.612%0.11513%0.131CC..Hα-helixtrans-58.3-32.8176-100.3150.9000113K116 L140 T142 V151 W170 V172 F205K116-L144 PolarHBondContact NZ-O 3.36Å; L140-L144 HydrophobicContact CD1-CD1 4.46Å; L140-L144 HydrophobicContact CD1-CD2 4.19Å; L140-L144 HydrophobicContact CG-CD1 4.27Å; L140-L144 WeakPolarHBondContact O-CB 3.31Å; L140-L144 PolarHBondContact O-N 3.01Å; T142-L144 PolarHBondContact O-N 3.46Å; L144-V151 HydrophobicContact CD2-CB 3.91Å; L144-V151 HydrophobicContact CD2-CG1 4.43Å; L144-V151 HydrophobicContact CD2-CG2 3.54Å; L144-W170 HydrophobicContact CD1-CD2 4.48Å; L144-W170 HydrophobicContact CD1-CE3 3.45Å; L144-W170 VanDerWaalsContact CD1-CE3 3.45Å; L144-W170 HydrophobicContact CD1-CZ3 3.71Å; L144-V172 HydrophobicContact CD1-CG2 4.12Å; L144-V172 HydrophobicContact CG-CG1 4.3Å; L144-F205 HydrophobicContact CD2-CB 3.74Å; L144-F205 HydrophobicContact CD2-CG 4.17Å
145T95.9Very high95.8Very high28 Ų2823.2 Ų23.217%0.17212%0.117CC..Hα-helixtrans-73.8-40.8177.2-55.90000110.7A115 K116 R141 T142 A143A115-T145 WeakPolarHBondContact CA-O 3.17Å; A115-T145 HydrophobicContact CB-CG2 4.08Å; K116-T145 PolarHBondContact N-O 3.39Å; R141-T145 PolarHBondContact O-N 2.95Å; R141-T145 PolarHBondContact O-OG1 3.18Å; T142-T145 WeakPolarHBondContact O-CA 3.25Å; T142-T145 WeakPolarHBondContact O-CB 3.14Å; T142-T145 PolarHBondContact O-N 3.27Å; A143-T145 PolarHBondContact O-N 2.82Å
146M97Very high95.9Very high0 Ų023.7 Ų23.70%012%0.118CC..Hα-helixtrans-76.7-40-175.9-69173.566.500113.7A53 L55 F77 L109 Y114 K116 K117 F118 V121 T142 A143A53-M146 HydrophobicContact CB-CE 4.17Å; L55-M146 HydrophobicContact CD1-SD 4.46Å; L55-M146 HydrophobicContact CD2-CE 4.09Å; L55-M146 HydrophobicContact CD2-SD 4.15Å; F77-M146 HydrophobicContact CE2-CE 3.95Å; F77-M146 HydrophobicContact CZ-CE 3.9Å; L109-M146 HydrophobicContact CD2-SD 4.21Å; Y114-M146 HydrophobicContact CG-CE 4.39Å; Y114-M146 WeakPolarHBondContact O-CA 3.38Å; K116-M146 CarbonylContact C-O 3.59Å; K116-M146 VanDerWaalsContact CA-O 3.28Å; K116-M146 WeakPolarHBondContact CA-O 3.41Å; K116-M146 PolarHBondContact N-O 3.28Å; K117-M146 PolarHBondContact N-O 3.04Å; K117-M146 VanDerWaalsContact N-O 3.08Å; F118-M146 HydrophobicContact CD2-CB 4.34Å; F118-M146 HydrophobicContact CD2-CE 3.65Å; F118-M146 HydrophobicContact CE2-CE 3.49Å; F118-M146 VanDerWaalsContact CE2-CE 3.49Å; F118-M146 HydrophobicContact CZ-CE 4.44Å; F118-M146 PolarHBondContact N-O 3.17Å; V121-M146 HydrophobicContact CG2-CB 4.03Å; T142-M146 HydrophobicContact CG2-CG 4.36Å; T142-M146 HydrophobicContact CG2-SD 3.63Å; T142-M146 WeakPolarHBondContact O-CG 3.28Å; T142-M146 PolarHBondContact O-N 2.89Å; A143-M146 PolarHBondContact O-N 2.98Å; A143-M146 VanDerWaalsContact O-N 3.1Å
147A97.8Very high96Very high4 Ų424.7 Ų24.73%0.03312%0.124CC..EExtended strand (participates in β ladder)trans-70.6133.6-178.200000112.8K116 F118 V121 A143 A150 V151K116-A147 WeakPolarHBondContact CD-O 3.16Å; K116-A147 WeakPolarHBondContact CE-O 3.3Å; K116-A147 PolarHBondContact NZ-O 2.65Å; F118-A147 CarbonylContact O-C 3.42Å; F118-A147 VanDerWaalsContact O-CA 3.29Å; F118-A147 WeakPolarHBondContact O-CA 3Å; V121-A147 HydrophobicContact CB-CB 4.43Å; V121-A147 HydrophobicContact CG2-CB 3.79Å; A143-A147 WeakPolarHBondContact O-CB 3.3Å; A143-A147 PolarHBondContact O-N 3.41Å; A147-A150 WeakPolarHBondContact CB-O 3.33Å; A147-V151 HydrophobicContact CB-CG2 3.55Å
148T97.3Very high95.9Very high48 Ų4828.8 Ų28.829%0.29416%0.155SC..EExtended strand (participates in β ladder)trans-80.8-46.7165.757.50000110.8K116 F118 D119K116-T148 HydrophobicContact CB-CG2 3.86Å; K116-T148 HydrophobicContact CD-CG2 4.4Å; K116-T148 WeakPolarHBondContact O-CG2 3.41Å; F118-T148 PolarHBondContact O-N 2.68Å; F118-T148 PolarHBondContact O-OG1 3.28Å; D119-T148 VanDerWaalsContact CA-OG1 3.26Å; D119-T148 WeakPolarHBondContact CA-OG1 3.27Å
149T97.1Very high95.9Very high62 Ų6226.3 Ų26.338%0.3815%0.147SC..EExtended strand (participates in β ladder)trans-101.7-61.9-170.1-53.30000112.2D46 D119D46-T149 WeakPolarHBondContact OD1-CG2 3.01Å; D119-T149 VanDerWaalsContact O-CB 3.29Å; D119-T149 WeakPolarHBondContact O-CB 3.35Å; D119-T149 PolarHBondContact O-N 3.17Å
150A98.2Very high95.9Very high1 Ų128.8 Ų28.81%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-146.2151.4-169.600000114.1D46 D119 T120 V121 A147 Y152 F205D46-A150 WeakPolarHBondContact OD2-CB 2.98Å; D119-A150 PolarHBondContact O-N 3.35Å; T120-A150 WeakPolarHBondContact CA-O 3.05Å; V121-A150 PolarHBondContact N-O 2.83Å; A147-A150 WeakPolarHBondContact CB-O 3.33Å; A150-Y152 HydrophobicContact CB-CD2 4.27Å; A150-Y152 HydrophobicContact CB-CE2 3.54Å; A150-F205 VanDerWaalsContact CA-O 3.31Å; A150-F205 WeakPolarHBondContact CA-O 3.37Å
151V98.7Very high95.9Very high3 Ų331.4 Ų31.42%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-120.7132.6168.3178.40000109.2V121 M123 L140 A143 L144 A147 R204 F205V121-V151 HydrophobicContact CB-CG2 4.22Å; V121-V151 CarbonylContact O-C 3.59Å; V121-V151 VanDerWaalsContact O-CA 3.32Å; V121-V151 WeakPolarHBondContact O-CA 3.28Å; M123-V151 HydrophobicContact CE-CG1 3.63Å; L140-V151 HydrophobicContact CD1-CG1 4.14Å; A143-V151 HydrophobicContact CB-CB 4.39Å; A143-V151 HydrophobicContact CB-CG1 3.55Å; A143-V151 HydrophobicContact CB-CG2 3.9Å; L144-V151 HydrophobicContact CD2-CB 3.91Å; L144-V151 HydrophobicContact CD2-CG1 4.43Å; L144-V151 HydrophobicContact CD2-CG2 3.54Å; A147-V151 HydrophobicContact CB-CG2 3.55Å; V151-R204 CarbonylContact O-C 3.49Å; V151-R204 WeakPolarHBondContact O-CA 3.48Å; V151-F205 HydrophobicContact CB-CB 4.21Å; V151-F205 HydrophobicContact CB-CD2 4.32Å; V151-F205 HydrophobicContact CG1-CD2 4.33Å; V151-F205 PolarHBondContact N-O 3.07Å; V151-F205 PolarHBondContact O-N 3.4Å
152Y98.7Very high95.9Very high0 Ų030.5 Ų30.50%018%0.183CC..EExtended strand (participates in β ladder)trans-119121.5178.5-68.6-81.9000109.3I40 F44 D46 T120 V121 I122 M123 A150 I177 F202 L203 R204I40-Y152 HydrophobicContact CB-CE1 4.5Å; I40-Y152 HydrophobicContact CD1-CD1 3.95Å; I40-Y152 HydrophobicContact CD1-CD2 3.95Å; I40-Y152 HydrophobicContact CD1-CG 3.6Å; I40-Y152 HydrophobicContact CG1-CD1 3.63Å; I40-Y152 HydrophobicContact CG1-CD2 4.07Å; I40-Y152 HydrophobicContact CG1-CE1 3.76Å; I40-Y152 HydrophobicContact CG1-CE2 4.23Å; I40-Y152 HydrophobicContact CG1-CG 3.76Å; I40-Y152 HydrophobicContact CG2-CD2 3.96Å; I40-Y152 HydrophobicContact CG2-CE1 4.37Å; I40-Y152 HydrophobicContact CG2-CE2 3.59Å; I40-Y152 HydrophobicContact CG2-CG 4.49Å; F44-Y152 WeakPolarHBondContact CB-OH 3.39Å; F44-Y152 HydrophobicContact CD2-CE1 4.1Å; F44-Y152 WeakPolarHBondContact CD2-OH 3.18Å; F44-Y152 HydrophobicContact CE2-CE1 4.41Å; F44-Y152 VanDerWaalsContact CG-OH 3.26Å; F44-Y152 WeakPolarHBondContact CG-OH 3.35Å; D46-Y152 HydrophobicContact CB-CE2 3.85Å; D46-Y152 PolarHBondContact OD2-OH 2.96Å; T120-Y152 HydrophobicContact CG2-CD2 3.58Å; T120-Y152 HydrophobicContact CG2-CE2 3.71Å; V121-Y152 PolarHBondContact O-N 3.31Å; I122-Y152 CarbonylContact C-O 3.59Å; I122-Y152 WeakPolarHBondContact CA-O 3.45Å; I122-Y152 HydrophobicContact CG2-CD2 4.43Å; M123-Y152 PolarHBondContact N-O 2.91Å; A150-Y152 HydrophobicContact CB-CD2 4.27Å; A150-Y152 HydrophobicContact CB-CE2 3.54Å; Y152-I177 HydrophobicContact CD1-CD1 4.07Å; Y152-I177 HydrophobicContact CE1-CD1 3.85Å; Y152-F202 AromaticContact CD1-CE2 3.67Å; Y152-F202 HydrophobicContact CD1-CE2 3.67Å; Y152-F202 AromaticContact CD1-CZ 3.67Å; Y152-F202 HydrophobicContact CD1-CZ 3.67Å; Y152-F202 HydrophobicContact CE1-CZ 4.31Å; Y152-F202 HydrophobicContact CG-CE2 4.29Å; Y152-L203 WeakPolarHBondContact CA-O 3.4Å; Y152-R204 HydrophobicContact CD1-CB 3.98Å; Y152-R204 HydrophobicContact CD1-CG 4.12Å; Y152-R204 HydrophobicContact CE1-CB 3.78Å; Y152-R204 HydrophobicContact CE1-CG 3.57Å; Y152-R204 WeakPolarHBondContact OH-CD 3.34Å; Y152-R204 PolarHBondContact OH-NE 3.12Å
153S98.1Very high95.9Very high0 Ų029.8 Ų29.80%018%0.179CC..EExtended strand (participates in β ladder)trans-142.5147.9-172.3-165.10000112.6M123 H155 L203M123-S153 VanDerWaalsContact CE-CB 3.47Å; M123-S153 VanDerWaalsContact CE-OG 3.26Å; M123-S153 WeakPolarHBondContact CE-OG 3.44Å; M123-S153 WeakPolarHBondContact O-CA 3.49Å; S153-H155 WeakPolarHBondContact CB-NE2 3.4Å; S153-H155 PolarHBondContact OG-CD2 3.36Å; S153-H155 PolarHBondContact OG-NE2 3.47Å; S153-L203 PolarHBondContact N-O 3.29Å; S153-L203 PolarHBondContact O-N 2.75Å
154L96.1Very high95.9Very high0 Ų035.2 Ų35.20%021%0.205CC..EExtended strand (participates in β ladder)trans-98.2129.5169.6-59179.1000109.9I32 M36 M123 N124 P125 L180 Y182 D201 F202I32-L154 HydrophobicContact CG2-CD1 3.88Å; M36-L154 HydrophobicContact SD-CD1 4.3Å; M36-L154 HydrophobicContact SD-CD2 4.27Å; M36-L154 HydrophobicContact SD-CG 4.17Å; M123-L154 PolarHBondContact O-N 2.79Å; N124-L154 HydrophobicContact CB-CD1 4.04Å; P125-L154 WeakPolarHBondContact CD-O 3.28Å; L154-L180 HydrophobicContact CD2-CD1 4.03Å; L154-Y182 HydrophobicContact CD1-CE2 4.04Å; L154-Y182 WeakPolarHBondContact CD1-OH 3.16Å; L154-D201 WeakPolarHBondContact CA-O 2.96Å; L154-F202 HydrophobicContact CD2-CB 3.89Å; L154-F202 HydrophobicContact CD2-CD2 4.09Å; L154-F202 HydrophobicContact CD2-CG 4.31Å
155H94.1Very high95.9Very high0 Ų040.7 Ų40.70%023%0.228CC..EExtended strand (participates in β ladder)trans-138.6152.5175.3-68.5-93.9000111.3D136 S153 T157 I163 V200 D201 L203D136-H155 IonicContact OD2-CE1 3.75Å; D136-H155 IonicContact OD2-ND1 3.31Å; D136-H155 PolarHBondContact OD2-ND1 3.02Å; S153-H155 WeakPolarHBondContact CB-NE2 3.4Å; S153-H155 PolarHBondContact OG-CD2 3.36Å; S153-H155 PolarHBondContact OG-NE2 3.47Å; H155-T157 PolarHBondContact O-N 3.37Å; H155-I163 HydrophobicContact CB-CD1 3.33Å; H155-I163 VanDerWaalsContact CG-CD1 3.4Å; H155-V200 CarbonylContact O-C 3.41Å; H155-V200 WeakPolarHBondContact O-CA 3.39Å; H155-V200 WeakPolarHBondContact O-CB 3.46Å; H155-D201 PolarHBondContact N-O 2.62Å; H155-D201 VanDerWaalsContact N-O 3.1Å; H155-D201 PolarHBondContact O-N 2.94Å; H155-L203 HydrophobicContact CB-CD1 4.22Å
156K91.9Very high95.9Very high49 Ų4942.7 Ų42.721%0.21323%0.234CC..EExtended strand (participates in β ladder)trans-56.8132.1175.8-71.8171.5179.4149.30110.7F127 S158 T159 I198F127-K156 HydrophobicContact CB-CD 4.01Å; F127-K156 HydrophobicContact CB-CG 4.22Å; F127-K156 VanDerWaalsContact CB-NZ 3.27Å; F127-K156 HydrophobicContact CD1-CG 4.09Å; F127-K156 HydrophobicContact CD2-CG 4.46Å; F127-K156 HydrophobicContact CG-CD 4.35Å; F127-K156 HydrophobicContact CG-CG 4.04Å; F127-K156 PolarHBondContact O-NZ 3.09Å; F127-K156 VanDerWaalsContact O-NZ 3.15Å; K156-S158 PolarHBondContact O-N 3.37Å; K156-S158 VanDerWaalsContact O-N 3.07Å; K156-T159 HydrophobicContact CB-CG2 4.36Å; K156-T159 PolarHBondContact O-N 3.38Å; K156-T159 PolarHBondContact O-OG1 2.97Å; K156-I198 HydrophobicContact CG-CG2 4.3Å
157T93.1Very high95.9Very high35 Ų3542.8 Ų42.822%0.21524%0.235CC..G310 helixtrans-56.6-31.5177.8-56.30000112.5H155 T159 R160 K199 V200 D201H155-T157 PolarHBondContact O-N 3.37Å; T157-T159 PolarHBondContact O-N 3.37Å; T157-R160 WeakPolarHBondContact O-CB 3.24Å; T157-R160 PolarHBondContact O-N 3.16Å; T157-K199 PolarHBondContact N-O 3.05Å; T157-K199 VanDerWaalsContact OG1-C 3.32Å; T157-K199 PolarHBondContact OG1-O 3.26Å; T157-V200 PolarHBondContact OG1-N 3.05Å; T157-D201 WeakPolarHBondContact CB-OD1 3.49Å; T157-D201 WeakPolarHBondContact CG2-OD1 3.38Å; T157-D201 PolarHBondContact OG1-OD1 3.09Å
158S92.3Very high95.8Very high109 Ų10947 Ų4776%0.76226%0.264SS*.G310 helixtrans-64.6-19.4176.556.50000114.3K156K156-S158 PolarHBondContact O-N 3.37Å; K156-S158 VanDerWaalsContact O-N 3.07Å
159T92.6Very high95.7Very high43 Ų4349.3 Ų49.326%0.26428%0.275SS..G310 helixtrans-98.9-1178.763.90000113.2K156 T157 G161 H162 I163K156-T159 HydrophobicContact CB-CG2 4.36Å; K156-T159 PolarHBondContact O-N 3.38Å; K156-T159 PolarHBondContact O-OG1 2.97Å; T157-T159 PolarHBondContact O-N 3.37Å; T159-G161 VanDerWaalsContact C-N 3.33Å; T159-G161 PolarHBondContact O-N 2.85Å; T159-H162 WeakPolarHBondContact O-CB 3.4Å; T159-H162 PolarHBondContact O-N 2.79Å; T159-I163 PolarHBondContact O-N 3.23Å; T159-I163 VanDerWaalsContact O-N 3.08Å; T159-I163 WeakPolarHBondContact OG1-CD1 3.44Å
160R95.1Very high95.6Very high65 Ų6549.7 Ų49.725%0.24527%0.269CS..Hα-helixtrans-45.7-51.2-179.2-177.8-174.4-63.1171.22.2113.5T157 H162 I163 Q164 M174 E179 D201T157-R160 WeakPolarHBondContact O-CB 3.24Å; T157-R160 PolarHBondContact O-N 3.16Å; R160-H162 VanDerWaalsContact C-N 3.28Å; R160-H162 PolarHBondContact O-N 2.68Å; R160-I163 PolarHBondContact O-N 2.97Å; R160-Q164 WeakPolarHBondContact O-CB 3.5Å; R160-Q164 PolarHBondContact O-N 3.11Å; R160-M174 HydrophobicContact CG-CE 4.2Å; R160-E179 IonicContact CZ-OE1 3.83Å; R160-E179 VanDerWaalsContact CZ-OE1 3.31Å; R160-E179 IonicContact NH1-OE1 2.96Å; R160-E179 PolarHBondContact NH1-OE1 3.25Å; R160-E179 IonicContact NH2-OE1 3.25Å; R160-E179 PolarHBondContact NH2-OE1 2.84Å; R160-D201 IonicContact CZ-OD1 3.23Å; R160-D201 IonicContact CZ-OD2 2.75Å; R160-D201 VanDerWaalsContact CZ-OD2 3.25Å; R160-D201 IonicContact NE-OD1 2.69Å; R160-D201 IonicContact NE-OD2 3.34Å; R160-D201 PolarHBondContact NE-OD2 2.75Å; R160-D201 IonicContact NH2-OD1 3.52Å; R160-D201 PolarHBondContact NH2-OD1 3.38Å; R160-D201 IonicContact NH2-OD2 3.82Å; R160-D201 PolarHBondContact NH2-OD2 3.37Å
161G96.3Very high95.5Very high56 Ų5652 Ų5258%0.57729%0.293SS*.Hα-helixtrans-62.7-34.3-177.900000113.2T159 K165T159-G161 VanDerWaalsContact C-N 3.33Å; T159-G161 PolarHBondContact O-N 2.85Å; G161-K165 PolarHBondContact O-N 2.84Å
162H94.8Very high95.4Very high100 Ų10053.1 Ų53.146%0.46330%0.3SS..Hα-helixtrans-68-46.4174.4-179.975.5000111.4T159 R160 Q164 K165 K166T159-H162 WeakPolarHBondContact O-CB 3.4Å; T159-H162 PolarHBondContact O-N 2.79Å; R160-H162 VanDerWaalsContact C-N 3.28Å; R160-H162 PolarHBondContact O-N 2.68Å; H162-Q164 PolarHBondContact O-N 2.83Å; H162-K165 PolarHBondContact O-N 2.98Å; H162-K166 WeakPolarHBondContact O-CG 3.14Å; H162-K166 PolarHBondContact O-N 3.33Å
163I96.1Very high95.3Very high0 Ų058 Ų580%032%0.321CS..Hα-helixtrans-64.1-42.5-179.5-61.1166.3000110.4M137 L140 H155 T159 R160 K165 K166 A167 M174 L203 F205M137-I163 HydrophobicContact SD-CG1 3.87Å; L140-I163 HydrophobicContact CD2-CG2 4.01Å; H155-I163 HydrophobicContact CB-CD1 3.33Å; H155-I163 VanDerWaalsContact CG-CD1 3.4Å; T159-I163 PolarHBondContact O-N 3.23Å; T159-I163 VanDerWaalsContact O-N 3.08Å; T159-I163 WeakPolarHBondContact OG1-CD1 3.44Å; R160-I163 PolarHBondContact O-N 2.97Å; I163-K165 VanDerWaalsContact C-N 3.35Å; I163-K165 PolarHBondContact O-N 3.35Å; I163-K166 CarbonylContact O-C 3.56Å; I163-K166 PolarHBondContact O-N 3.21Å; I163-K166 VanDerWaalsContact O-N 3.12Å; I163-A167 WeakPolarHBondContact O-CB 3.28Å; I163-A167 PolarHBondContact O-N 3.2Å; I163-M174 HydrophobicContact CB-CE 4.42Å; I163-M174 HydrophobicContact CB-SD 4.32Å; I163-M174 HydrophobicContact CG2-CE 4.14Å; I163-M174 HydrophobicContact CG2-SD 3.7Å; I163-L203 HydrophobicContact CD1-CD1 4.15Å; I163-L203 HydrophobicContact CG2-CD1 4Å; I163-F205 HydrophobicContact CG2-CE1 3.86Å; I163-F205 HydrophobicContact CG2-CZ 3.64Å
164Q96.9Very high95.3Very high115 Ų11559.3 Ų59.354%0.53733%0.327SS..Hα-helixtrans-62.8-41178-170.2168.530.800112.2R160 H162 K166 A167 S168 M174R160-Q164 WeakPolarHBondContact O-CB 3.5Å; R160-Q164 PolarHBondContact O-N 3.11Å; H162-Q164 PolarHBondContact O-N 2.83Å; Q164-K166 VanDerWaalsContact C-N 3.34Å; Q164-A167 PolarHBondContact O-N 3.37Å; Q164-S168 PolarHBondContact O-N 3.39Å; Q164-S168 VanDerWaalsContact O-N 3.08Å; Q164-M174 VanDerWaalsContact CA-SD 3.51Å; Q164-M174 HydrophobicContact CB-CE 4.3Å; Q164-M174 HydrophobicContact CB-SD 3.92Å; Q164-M174 HydrophobicContact CG-SD 4.4Å
165K96.5Very high95.4Very high137 Ų13762.1 Ų62.160%0.59634%0.341SS*.Hα-helixtrans-60.5-45.3172.3-175.5178.4178.9178.60111.2G161 H162 I163 S168 D169G161-K165 PolarHBondContact O-N 2.84Å; H162-K165 PolarHBondContact O-N 2.98Å; I163-K165 VanDerWaalsContact C-N 3.35Å; I163-K165 PolarHBondContact O-N 3.35Å; K165-S168 WeakPolarHBondContact O-CB 3.22Å; K165-S168 PolarHBondContact O-N 3.11Å; K165-D169 VanDerWaalsContact O-CG 3.28Å; K165-D169 PolarHBondContact O-N 3.41Å
166K95.9Very high95.6Very high69 Ų6965.1 Ų65.130%0.336%0.359SS..Hα-helixtrans-65.7-40179.2-73-68.2-179-166.70113.2M137 H162 I163 Q164 S168 D169 W170M137-K166 HydrophobicContact CE-CB 3.78Å; M137-K166 HydrophobicContact CE-CG 3.85Å; H162-K166 WeakPolarHBondContact O-CG 3.14Å; H162-K166 PolarHBondContact O-N 3.33Å; I163-K166 CarbonylContact O-C 3.56Å; I163-K166 PolarHBondContact O-N 3.21Å; I163-K166 VanDerWaalsContact O-N 3.12Å; Q164-K166 VanDerWaalsContact C-N 3.34Å; K166-S168 VanDerWaalsContact C-N 3.3Å; K166-S168 PolarHBondContact O-N 2.92Å; K166-D169 PolarHBondContact O-N 3.06Å; K166-W170 HydrophobicContact CB-CD2 4.48Å; K166-W170 HydrophobicContact CB-CE3 4.4Å; K166-W170 HydrophobicContact CB-CH2 4.28Å; K166-W170 HydrophobicContact CB-CZ2 4.31Å; K166-W170 HydrophobicContact CB-CZ3 4.3Å; K166-W170 HydrophobicContact CD-CZ2 4.23Å; K166-W170 WeakPolarHBondContact O-CB 3.37Å; K166-W170 VanDerWaalsContact O-CD2 3.24Å; K166-W170 PolarHBondContact O-N 3.44Å
167A96.1Very high95.8Very high3 Ų365.2 Ų65.23%0.02536%0.361CS..Hα-helixtrans-57.7-45.1172.900000111.1I163 Q164 W170 G171 V172 M174 F205I163-A167 WeakPolarHBondContact O-CB 3.28Å; I163-A167 PolarHBondContact O-N 3.2Å; Q164-A167 PolarHBondContact O-N 3.37Å; A167-W170 CarbonylContact O-C 3.34Å; A167-W170 PolarHBondContact O-N 3.3Å; A167-G171 PolarHBondContact O-N 3.28Å; A167-V172 CarbonylContact C-O 3.58Å; A167-V172 HydrophobicContact CB-CG2 3.87Å; A167-V172 WeakPolarHBondContact O-CG2 2.96Å; A167-V172 PolarHBondContact O-N 3.34Å; A167-M174 HydrophobicContact CB-CB 3.73Å; A167-M174 HydrophobicContact CB-SD 4.29Å; A167-F205 HydrophobicContact CB-CD1 4.37Å; A167-F205 HydrophobicContact CB-CE1 4.24Å
168S95.7Very high95.7Very high92 Ų9265.2 Ų65.264%0.64336%0.364SS*.Hα-helixtrans-62.8-45.9174.5-170.40000112.7Q164 K165 K166 W170 G171Q164-S168 PolarHBondContact O-N 3.39Å; Q164-S168 VanDerWaalsContact O-N 3.08Å; K165-S168 WeakPolarHBondContact O-CB 3.22Å; K165-S168 PolarHBondContact O-N 3.11Å; K166-S168 VanDerWaalsContact C-N 3.3Å; K166-S168 PolarHBondContact O-N 2.92Å; S168-W170 PolarHBondContact O-N 2.93Å; S168-G171 PolarHBondContact O-N 2.81Å; S168-G171 VanDerWaalsContact O-N 3.09Å
169D95.9Very high95.7Very high97 Ų9766.2 Ų66.252%0.51936%0.357SS..Hα-helixtrans-59.8-30.4177-67.7-16.6000111.7K165 K166K165-D169 VanDerWaalsContact O-CG 3.28Å; K165-D169 PolarHBondContact O-N 3.41Å; K166-D169 PolarHBondContact O-N 3.06Å
170W95.6Very high95.4Very high69 Ų6965.6 Ų65.626%0.26135%0.352SS..THydrogen-bonded Turntrans-91.7-1.8179.6-61.5-19.8000113.9M137 L140 R141 L144 K166 A167 S168 V172M137-W170 HydrophobicContact CE-CH2 3.58Å; M137-W170 HydrophobicContact CE-CZ2 4.43Å; M137-W170 HydrophobicContact CE-CZ3 4.02Å; L140-W170 HydrophobicContact CD2-CZ3 4.01Å; L140-W170 HydrophobicContact CG-CZ3 4.06Å; R141-W170 HydrophobicContact CB-CH2 4.15Å; R141-W170 HydrophobicContact CB-CZ2 4.44Å; L144-W170 HydrophobicContact CD1-CD2 4.48Å; L144-W170 HydrophobicContact CD1-CE3 3.45Å; L144-W170 VanDerWaalsContact CD1-CE3 3.45Å; L144-W170 HydrophobicContact CD1-CZ3 3.71Å; K166-W170 HydrophobicContact CB-CD2 4.48Å; K166-W170 HydrophobicContact CB-CE3 4.4Å; K166-W170 HydrophobicContact CB-CH2 4.28Å; K166-W170 HydrophobicContact CB-CZ2 4.31Å; K166-W170 HydrophobicContact CB-CZ3 4.3Å; K166-W170 HydrophobicContact CD-CZ2 4.23Å; K166-W170 WeakPolarHBondContact O-CB 3.37Å; K166-W170 VanDerWaalsContact O-CD2 3.24Å; K166-W170 PolarHBondContact O-N 3.44Å; A167-W170 CarbonylContact O-C 3.34Å; A167-W170 PolarHBondContact O-N 3.3Å; S168-W170 PolarHBondContact O-N 2.93Å; W170-V172 VanDerWaalsContact C-N 3.3Å; W170-V172 HydrophobicContact CB-CG2 4.25Å; W170-V172 PolarHBondContact O-N 3.15Å
171G95.4Very high94.5Very high49 Ų4971 Ų7151%0.50537%0.373SS..THydrogen-bonded Turntrans65.828.8-178.800000114A167 S168 T208A167-G171 PolarHBondContact O-N 3.28Å; S168-G171 PolarHBondContact O-N 2.81Å; S168-G171 VanDerWaalsContact O-N 3.09Å; G171-T208 PolarHBondContact O-OG1 2.94Å
172V96.6Very high93.1Very high28 Ų2868.7 Ų68.717%0.1735%0.346CS..  trans-110.3141.6178.4-61.90000111L144 A167 W170 F205L144-V172 HydrophobicContact CD1-CG2 4.12Å; L144-V172 HydrophobicContact CG-CG1 4.3Å; A167-V172 CarbonylContact C-O 3.58Å; A167-V172 HydrophobicContact CB-CG2 3.87Å; A167-V172 WeakPolarHBondContact O-CG2 2.96Å; A167-V172 PolarHBondContact O-N 3.34Å; W170-V172 VanDerWaalsContact C-N 3.3Å; W170-V172 HydrophobicContact CB-CG2 4.25Å; W170-V172 PolarHBondContact O-N 3.15Å; V172-F205 HydrophobicContact CG2-CD1 4.4Å
173K97.4Very high91.6Very high101 Ų10169.2 Ų69.244%0.43935%0.353SS..EExtended strand (participates in β ladder)trans-73.3134174.4-171.5-174-178.1-154.10108.5E175 F205 S206 T208K173-E175 HydrophobicContact CD-CG 4.46Å; K173-E175 WeakPolarHBondContact CE-OE1 3.49Å; K173-E175 HydrophobicContact CG-CG 4.42Å; K173-E175 VanDerWaalsContact NZ-CD 3.26Å; K173-E175 IonicContact NZ-OE1 2.66Å; K173-E175 PolarHBondContact NZ-OE1 3.39Å; K173-E175 IonicContact NZ-OE2 2.7Å; K173-F205 CarbonylContact O-C 3.52Å; K173-F205 WeakPolarHBondContact O-CA 3.44Å; K173-S206 PolarHBondContact N-O 2.9Å; K173-S206 PolarHBondContact O-N 3.46Å; K173-T208 HydrophobicContact CB-CG2 4.49Å
174M97.7Very high89.8Confident28 Ų2870.5 Ų70.514%0.13836%0.359CS..EExtended strand (participates in β ladder)trans-121.6133.2174.3171.7-175.2159.100109.7R160 I163 Q164 A167 V176 L203 R204 F205R160-M174 HydrophobicContact CG-CE 4.2Å; I163-M174 HydrophobicContact CB-CE 4.42Å; I163-M174 HydrophobicContact CB-SD 4.32Å; I163-M174 HydrophobicContact CG2-CE 4.14Å; I163-M174 HydrophobicContact CG2-SD 3.7Å; Q164-M174 VanDerWaalsContact CA-SD 3.51Å; Q164-M174 HydrophobicContact CB-CE 4.3Å; Q164-M174 HydrophobicContact CB-SD 3.92Å; Q164-M174 HydrophobicContact CG-SD 4.4Å; A167-M174 HydrophobicContact CB-CB 3.73Å; A167-M174 HydrophobicContact CB-SD 4.29Å; M174-V176 HydrophobicContact CE-CG2 4.31Å; M174-L203 HydrophobicContact CE-CD1 3.69Å; M174-L203 HydrophobicContact CE-CD2 3.71Å; M174-L203 HydrophobicContact CE-CG 4.31Å; M174-R204 CarbonylContact C-O 3.53Å; M174-R204 WeakPolarHBondContact CA-O 3.44Å; M174-F205 HydrophobicContact CB-CD1 3.86Å; M174-F205 HydrophobicContact CB-CE1 3.84Å; M174-F205 HydrophobicContact CG-CD1 4.1Å; M174-F205 HydrophobicContact CG-CE1 3.64Å; M174-F205 HydrophobicContact CG-CZ 4.2Å; M174-F205 HydrophobicContact SD-CE1 3.86Å; M174-F205 HydrophobicContact SD-CZ 4.31Å
175E97.7Very high88Confident60 Ų6069.1 Ų69.128%0.2836%0.36SS..EExtended strand (participates in β ladder)trans-128.4133.3178.1-62.1178-120.700109.6K173 L203 R204K173-E175 HydrophobicContact CD-CG 4.46Å; K173-E175 WeakPolarHBondContact CE-OE1 3.49Å; K173-E175 HydrophobicContact CG-CG 4.42Å; K173-E175 VanDerWaalsContact NZ-CD 3.26Å; K173-E175 IonicContact NZ-OE1 2.66Å; K173-E175 PolarHBondContact NZ-OE1 3.39Å; K173-E175 IonicContact NZ-OE2 2.7Å; E175-L203 WeakPolarHBondContact O-CA 3.32Å; E175-R204 PolarHBondContact N-O 3.43Å; E175-R204 PolarHBondContact O-N 2.72Å; E175-R204 IonicContact OE1-NH1 2.94Å
176V97.9Very high86.2Confident62 Ų6265 Ų6538%0.37635%0.352SS..EExtended strand (participates in β ladder)trans-87.2106.8168.8-1770000106.9M174 D201 L203M174-V176 HydrophobicContact CE-CG2 4.31Å; V176-D201 HydrophobicContact CG1-CB 4.35Å; V176-L203 HydrophobicContact CB-CD2 4.16Å; V176-L203 HydrophobicContact CG1-CD2 4.31Å; V176-L203 HydrophobicContact CG2-CD2 3.7Å
177I96.6Very high84.2Confident51 Ų5163.9 Ų63.926%0.26235%0.353SS..EExtended strand (participates in β ladder)trans-75.8-45.2179.6-64.9173.9000110.1T39 F44 Y152 F202 R204T39-I177 HydrophobicContact CG2-CG2 3.81Å; F44-I177 HydrophobicContact CE2-CD1 3.59Å; F44-I177 HydrophobicContact CE2-CG1 4.28Å; F44-I177 HydrophobicContact CZ-CD1 3.96Å; F44-I177 HydrophobicContact CZ-CG1 4.25Å; Y152-I177 HydrophobicContact CD1-CD1 4.07Å; Y152-I177 HydrophobicContact CE1-CD1 3.85Å; I177-F202 HydrophobicContact CB-CD1 3.69Å; I177-F202 HydrophobicContact CB-CE1 3.98Å; I177-F202 HydrophobicContact CB-CG 4.23Å; I177-F202 HydrophobicContact CD1-CD1 4.15Å; I177-F202 HydrophobicContact CD1-CE1 3.64Å; I177-F202 HydrophobicContact CD1-CE2 4.15Å; I177-F202 HydrophobicContact CD1-CZ 3.62Å; I177-F202 HydrophobicContact CG1-CE1 4.41Å; I177-F202 HydrophobicContact CG2-CD1 3.64Å; I177-F202 HydrophobicContact CG2-CE1 3.7Å; I177-F202 PolarHBondContact N-O 3.38Å; I177-R204 HydrophobicContact CD1-CB 3.5Å; I177-R204 HydrophobicContact CD1-CG 4.45Å; I177-R204 HydrophobicContact CG1-CB 4.01Å
178A91.8Very high82.2Confident35 Ų3565.4 Ų65.429%0.28936%0.358SS..EExtended strand (participates in β ladder)trans-153.8154.5-178.800000111.8L180 F202A178-L180 HydrophobicContact CB-CD2 4.04Å; A178-L180 HydrophobicContact CB-CG 4.46Å; A178-F202 HydrophobicContact CB-CB 4.35Å; A178-F202 PolarHBondContact N-O 3.41Å; A178-F202 PolarHBondContact O-N 3.41Å
179E90.8Very high80Confident130 Ų13071.7 Ų71.761%0.60737%0.374SS*.EExtended strand (participates in β ladder)trans-101.4117.7166.4-61.5-177.2148.600108.3R160R160-E179 IonicContact CZ-OE1 3.83Å; R160-E179 VanDerWaalsContact CZ-OE1 3.31Å; R160-E179 IonicContact NH1-OE1 2.96Å; R160-E179 PolarHBondContact NH1-OE1 3.25Å; R160-E179 IonicContact NH2-OE1 3.25Å; R160-E179 PolarHBondContact NH2-OE1 2.84Å
180L85.9Confident77.8Confident31 Ų3173.1 Ų73.116%0.16238%0.376CS..EExtended strand (participates in β ladder)trans-110156.9-175.2-53.6176.3000111I32 L154 A178 V200 F202I32-L180 HydrophobicContact CD1-CB 3.73Å; I32-L180 HydrophobicContact CD1-CD1 3.8Å; I32-L180 HydrophobicContact CD1-CD2 4.4Å; I32-L180 HydrophobicContact CD1-CG 4.19Å; I32-L180 HydrophobicContact CG2-CD1 4.04Å; L154-L180 HydrophobicContact CD2-CD1 4.03Å; A178-L180 HydrophobicContact CB-CD2 4.04Å; A178-L180 HydrophobicContact CB-CG 4.46Å; L180-V200 HydrophobicContact CB-CG2 3.8Å; L180-V200 PolarHBondContact N-O 2.72Å; L180-V200 PolarHBondContact O-N 3.4Å; L180-F202 HydrophobicContact CD1-CB 3.96Å; L180-F202 HydrophobicContact CG-CB 4.4Å
181R76.2Confident75.7Confident179 Ų17974.1 Ų74.168%0.67538%0.383SS*.EExtended strand (participates in β ladder)trans-118.3117.8174.8-62-175.7-176-148.45.2109.2
182Y67.6Low73.5Confident6 Ų682.1 Ų82.12%0.02440%0.404CS..EExtended strand (participates in β ladder)trans-87.6117.3172.1-96.5-109.3000109.5Y26 I32 N124 L154 L184 V196 D197 I198 V200Y26-Y182 HydrophobicContact CD2-CE1 4.49Å; Y26-Y182 HydrophobicContact CE2-CE1 4.45Å; I32-Y182 HydrophobicContact CB-CE2 4.49Å; I32-Y182 HydrophobicContact CD1-CD2 4.31Å; I32-Y182 HydrophobicContact CD1-CE2 4.18Å; I32-Y182 HydrophobicContact CG1-CD2 4.41Å; I32-Y182 HydrophobicContact CG1-CE2 4.08Å; I32-Y182 HydrophobicContact CG2-CE2 3.87Å; N124-Y182 PolarHBondContact ND2-OH 3.21Å; N124-Y182 VanDerWaalsContact ND2-OH 3.07Å; L154-Y182 HydrophobicContact CD1-CE2 4.04Å; L154-Y182 WeakPolarHBondContact CD1-OH 3.16Å; Y182-L184 HydrophobicContact CD1-CD1 4.21Å; Y182-L184 HydrophobicContact CD1-CG 4.16Å; Y182-L184 PolarHBondContact O-N 3.38Å; Y182-V196 VanDerWaalsContact O-O 3.07Å; Y182-D197 CarbonylContact O-C 3.28Å; Y182-D197 VanDerWaalsContact O-CA 3.28Å; Y182-D197 WeakPolarHBondContact O-CA 3.49Å; Y182-I198 PolarHBondContact N-O 3.26Å; Y182-I198 PolarHBondContact O-N 2.66Å; Y182-V200 HydrophobicContact CD2-CB 4.43Å; Y182-V200 HydrophobicContact CD2-CG1 4.03Å; Y182-V200 HydrophobicContact CD2-CG2 3.49Å; Y182-V200 VanDerWaalsContact CD2-CG2 3.49Å; Y182-V200 HydrophobicContact CE2-CG1 4.42Å; Y182-V200 HydrophobicContact CE2-CG2 3.59Å
183D63.4Low71.4Confident112 Ų11288.2 Ų88.260%0.59943%0.428SS*.EExtended strand (participates in β ladder)trans-86.291.1157.4-68.5-22.4000106.9P185D183-P185 WeakPolarHBondContact O-CD 3.5Å
184L59.2Low69.3Low26 Ų2692.6 Ų92.614%0.13645%0.447CS..EExtended strand (participates in β ladder)trans-72.9113.6173.3-92.2137.5000108.4Y26 Y182 S195 V196 I198Y26-L184 HydrophobicContact CD1-CD2 4.14Å; Y26-L184 HydrophobicContact CD2-CD2 3.83Å; Y26-L184 HydrophobicContact CG-CD2 3.58Å; Y182-L184 HydrophobicContact CD1-CD1 4.21Å; Y182-L184 HydrophobicContact CD1-CG 4.16Å; Y182-L184 PolarHBondContact O-N 3.38Å; L184-S195 WeakPolarHBondContact O-CA 3.42Å; L184-S195 WeakPolarHBondContact O-CB 3.22Å; L184-V196 PolarHBondContact N-O 3.15Å; L184-V196 PolarHBondContact O-N 3.43Å; L184-I198 HydrophobicContact CD1-CB 4.3Å; L184-I198 HydrophobicContact CD1-CD1 3.21Å; L184-I198 HydrophobicContact CD1-CG1 3.69Å
185P58.6Low67.5Low86 Ų8693.8 Ų93.856%0.55846%0.458SS*.EExtended strand (participates in β ladder)trans-62.4158.7173.827.5-32.8000109.4D183 S187D183-P185 WeakPolarHBondContact O-CD 3.5Å; P185-S187 PolarHBondContact O-N 3.22Å; P185-S187 PolarHBondContact O-OG 3.03Å
186A57.6Low65.8Low50 Ų5094.7 Ų94.741%0.41347%0.468SS..  trans-66.881.4174.500000111.1Y188 H191 K194A186-Y188 VanDerWaalsContact C-N 3.28Å; A186-Y188 PolarHBondContact O-N 3.27Å; A186-H191 HydrophobicContact CB-CB 3.86Å; A186-K194 PolarHBondContact N-O 2.93Å; A186-K194 VanDerWaalsContact N-O 3.15Å
187S54.7Low64.3Low47 Ų4796.7 Ų96.733%0.32948%0.476SS..  trans-75.7-14.5-178-48.20000113.7P185P185-S187 PolarHBondContact O-N 3.22Å; P185-S187 PolarHBondContact O-OG 3.03Å
188Y54Low63.2Low35 Ų3596.2 Ų96.214%0.13747%0.474CS..SBendtrans-115.4139.9-178-57.3-54.8000112.5P19 I21 Q25 A186 F190 H191P19-Y188 HydrophobicContact CB-CE1 4.01Å; P19-Y188 HydrophobicContact CG-CD1 4.45Å; P19-Y188 HydrophobicContact CG-CE1 4.03Å; I21-Y188 WeakPolarHBondContact CA-OH 3.26Å; I21-Y188 HydrophobicContact CB-CE1 4.18Å; I21-Y188 HydrophobicContact CB-CE2 4.48Å; I21-Y188 HydrophobicContact CD1-CD1 3.99Å; I21-Y188 HydrophobicContact CD1-CE1 4.23Å; I21-Y188 HydrophobicContact CD1-CG 4.38Å; I21-Y188 HydrophobicContact CG1-CD1 3.36Å; I21-Y188 HydrophobicContact CG1-CD2 4.06Å; I21-Y188 HydrophobicContact CG1-CE1 3.16Å; I21-Y188 HydrophobicContact CG1-CE2 3.89Å; I21-Y188 HydrophobicContact CG1-CG 3.85Å; I21-Y188 VanDerWaalsContact CG1-CZ 3.46Å; I21-Y188 HydrophobicContact CG2-CE2 4.36Å; Q25-Y188 PolarHBondContact O-OH 2.93Å; A186-Y188 VanDerWaalsContact C-N 3.28Å; A186-Y188 PolarHBondContact O-N 3.27Å; Y188-F190 HydrophobicContact CD1-CZ 4.4Å; Y188-F190 HydrophobicContact CD2-CE2 4.19Å; Y188-F190 AromaticContact CD2-CZ 3.93Å; Y188-F190 HydrophobicContact CD2-CZ 3.93Å; Y188-F190 HydrophobicContact CG-CE1 4.18Å; Y188-F190 HydrophobicContact CG-CE2 4.19Å; Y188-F190 AromaticContact CG-CZ 3.66Å; Y188-F190 HydrophobicContact CG-CZ 3.66Å; Y188-F190 PolarHBondContact O-N 2.96Å; Y188-H191 AromaticContact CD2-CE1 3.37Å; Y188-H191 WeakPolarHBondContact CD2-CE1 3.28Å; Y188-H191 AromaticContact CD2-NE2 3.54Å; Y188-H191 PolarHBondContact O-N 2.97Å
189K48.5Very low63Low224 Ų224100.8 Ų100.897%0.97449%0.487SS*.THydrogen-bonded Turntrans-57-16.5-177.2-66.4-178.6179.7173.40114.7
190F51.2Low63Low127 Ų12794.6 Ų94.656%0.55746%0.458SS*.THydrogen-bonded Turntrans-103.24.2-178.150.4-100.2000114.5I21 Y188 K192I21-F190 HydrophobicContact CD1-CE1 3.38Å; I21-F190 HydrophobicContact CD1-CZ 3.44Å; I21-F190 VanDerWaalsContact CD1-CZ 3.44Å; I21-F190 HydrophobicContact CG1-CE1 4.31Å; I21-F190 HydrophobicContact CG1-CZ 3.95Å; I21-F190 HydrophobicContact CG2-CZ 4.49Å; Y188-F190 HydrophobicContact CD1-CZ 4.4Å; Y188-F190 HydrophobicContact CD2-CE2 4.19Å; Y188-F190 AromaticContact CD2-CZ 3.93Å; Y188-F190 HydrophobicContact CD2-CZ 3.93Å; Y188-F190 HydrophobicContact CG-CE1 4.18Å; Y188-F190 HydrophobicContact CG-CE2 4.19Å; Y188-F190 AromaticContact CG-CZ 3.66Å; Y188-F190 HydrophobicContact CG-CZ 3.66Å; Y188-F190 PolarHBondContact O-N 2.96Å; F190-K192 PolarHBondContact O-N 3.33Å
191H51.1Low63.4Low90 Ų9093.2 Ų93.242%0.41745%0.451SS..  trans-71.3120176.1-73.1164.4000111.8A186 Y188A186-H191 HydrophobicContact CB-CB 3.86Å; Y188-H191 AromaticContact CD2-CE1 3.37Å; Y188-H191 WeakPolarHBondContact CD2-CE1 3.28Å; Y188-H191 AromaticContact CD2-NE2 3.54Å; Y188-H191 PolarHBondContact O-N 2.97Å
192K50.3Low64.4Low217 Ų21784.8 Ų84.894%0.94342%0.419SS*.SBendtrans-78.6-19.1175.2-70.1-173.9178.1-177.70113.7F190F190-K192 PolarHBondContact O-N 3.33Å
193K51.2Low65.9Low156 Ų15684.5 Ų84.568%0.67842%0.418SS*.SBendtrans-109.6141.1179.6-68.9-174.9177.6-176.50109.5S195K193-S195 VanDerWaalsContact C-N 3.3Å; K193-S195 PolarHBondContact O-N 3.29Å
194K54.2Low67.5Low193 Ų19380.6 Ų80.684%0.83940%0.395SS*.SBendtrans-65-32.1-178.8-70.5-173.1176-175.50113.1A186A186-K194 PolarHBondContact N-O 2.93Å; A186-K194 VanDerWaalsContact N-O 3.15Å
195S58.8Low69.4Low52 Ų5279.4 Ų79.436%0.36439%0.389SS..EExtended strand (participates in β ladder)trans-151.1161.7173.458.50000111.1L184 K193L184-S195 WeakPolarHBondContact O-CA 3.42Å; L184-S195 WeakPolarHBondContact O-CB 3.22Å; K193-S195 VanDerWaalsContact C-N 3.3Å; K193-S195 PolarHBondContact O-N 3.29Å
196V61.9Low71.2Confident79 Ų7976 Ų7648%0.47937%0.367SS..EExtended strand (participates in β ladder)trans-127.7124.1168.7179.80000108.8Y182 L184 I198Y182-V196 VanDerWaalsContact O-O 3.07Å; L184-V196 PolarHBondContact N-O 3.15Å; L184-V196 PolarHBondContact O-N 3.43Å; V196-I198 HydrophobicContact CG1-CG1 4.22Å; V196-I198 PolarHBondContact O-N 3.3Å
197D66.4Low72.3Confident105 Ų10577.5 Ų77.556%0.56137%0.371SS*.EExtended strand (participates in β ladder)trans-73.9111.3174-61.514000109.7Y182Y182-D197 CarbonylContact O-C 3.28Å; Y182-D197 VanDerWaalsContact O-CA 3.28Å; Y182-D197 WeakPolarHBondContact O-CA 3.49Å
198I73.6Confident72.5Confident40 Ų4083.5 Ų83.521%0.20541%0.406CS..EExtended strand (participates in β ladder)trans-105.4121.6171.5-53.5-167000109K156 Y182 L184 V196 V200K156-I198 HydrophobicContact CG-CG2 4.3Å; Y182-I198 PolarHBondContact N-O 3.26Å; Y182-I198 PolarHBondContact O-N 2.66Å; L184-I198 HydrophobicContact CD1-CB 4.3Å; L184-I198 HydrophobicContact CD1-CD1 3.21Å; L184-I198 HydrophobicContact CD1-CG1 3.69Å; V196-I198 HydrophobicContact CG1-CG1 4.22Å; V196-I198 PolarHBondContact O-N 3.3Å; I198-V200 HydrophobicContact CG2-CG1 3.77Å
199K86.9Confident73.5Confident132 Ų13286 Ų8657%0.57442%0.42SS*.EExtended strand (participates in β ladder)trans-80.5121.4170.7-62.7-177.2-178.3-178.10109T157T157-K199 PolarHBondContact N-O 3.05Å; T157-K199 VanDerWaalsContact OG1-C 3.32Å; T157-K199 PolarHBondContact OG1-O 3.26Å
200V90.9Very high74.8Confident0 Ų078.7 Ų78.70%039%0.391CS..EExtended strand (participates in β ladder)trans-128.3149178.5-54.40000109.9F127 H155 T157 L180 Y182 I198F127-V200 HydrophobicContact CE1-CG1 4.19Å; F127-V200 HydrophobicContact CE2-CG1 4.26Å; F127-V200 HydrophobicContact CZ-CG1 3.66Å; H155-V200 CarbonylContact O-C 3.41Å; H155-V200 WeakPolarHBondContact O-CA 3.39Å; H155-V200 WeakPolarHBondContact O-CB 3.46Å; T157-V200 PolarHBondContact OG1-N 3.05Å; L180-V200 HydrophobicContact CB-CG2 3.8Å; L180-V200 PolarHBondContact N-O 2.72Å; L180-V200 PolarHBondContact O-N 3.4Å; Y182-V200 HydrophobicContact CD2-CB 4.43Å; Y182-V200 HydrophobicContact CD2-CG1 4.03Å; Y182-V200 HydrophobicContact CD2-CG2 3.49Å; Y182-V200 VanDerWaalsContact CD2-CG2 3.49Å; Y182-V200 HydrophobicContact CE2-CG1 4.42Å; Y182-V200 HydrophobicContact CE2-CG2 3.59Å; I198-V200 HydrophobicContact CG2-CG1 3.77Å
201D95.3Very high76.1Confident1 Ų176 Ų761%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-98.6133.3172.9-61.3-14.9000108.8L154 H155 T157 R160 V176 L203L154-D201 WeakPolarHBondContact CA-O 2.96Å; H155-D201 PolarHBondContact N-O 2.62Å; H155-D201 VanDerWaalsContact N-O 3.1Å; H155-D201 PolarHBondContact O-N 2.94Å; T157-D201 WeakPolarHBondContact CB-OD1 3.49Å; T157-D201 WeakPolarHBondContact CG2-OD1 3.38Å; T157-D201 PolarHBondContact OG1-OD1 3.09Å; R160-D201 IonicContact CZ-OD1 3.23Å; R160-D201 IonicContact CZ-OD2 2.75Å; R160-D201 VanDerWaalsContact CZ-OD2 3.25Å; R160-D201 IonicContact NE-OD1 2.69Å; R160-D201 IonicContact NE-OD2 3.34Å; R160-D201 PolarHBondContact NE-OD2 2.75Å; R160-D201 IonicContact NH2-OD1 3.52Å; R160-D201 PolarHBondContact NH2-OD1 3.38Å; R160-D201 IonicContact NH2-OD2 3.82Å; R160-D201 PolarHBondContact NH2-OD2 3.37Å; V176-D201 HydrophobicContact CG1-CB 4.35Å; D201-L203 HydrophobicContact CB-CD2 3.56Å; D201-L203 HydrophobicContact CB-CG 3.98Å
202F97.1Very high77.6Confident3 Ų375.2 Ų75.21%0.01338%0.379CS..EExtended strand (participates in β ladder)trans-86110.2164175.4-148.5000108.9M36 T39 I40 Y152 L154 I177 A178 L180M36-F202 HydrophobicContact CB-CZ 4.47Å; M36-F202 HydrophobicContact CE-CE2 4.03Å; M36-F202 HydrophobicContact CG-CD2 4.12Å; M36-F202 HydrophobicContact CG-CE1 4.27Å; M36-F202 HydrophobicContact CG-CE2 3.64Å; M36-F202 HydrophobicContact CG-CZ 3.73Å; M36-F202 HydrophobicContact SD-CD2 4.48Å; M36-F202 HydrophobicContact SD-CE2 4.31Å; T39-F202 HydrophobicContact CG2-CE1 4.09Å; I40-F202 HydrophobicContact CD1-CZ 4.19Å; I40-F202 HydrophobicContact CG1-CZ 3.83Å; Y152-F202 AromaticContact CD1-CE2 3.67Å; Y152-F202 HydrophobicContact CD1-CE2 3.67Å; Y152-F202 AromaticContact CD1-CZ 3.67Å; Y152-F202 HydrophobicContact CD1-CZ 3.67Å; Y152-F202 HydrophobicContact CE1-CZ 4.31Å; Y152-F202 HydrophobicContact CG-CE2 4.29Å; L154-F202 HydrophobicContact CD2-CB 3.89Å; L154-F202 HydrophobicContact CD2-CD2 4.09Å; L154-F202 HydrophobicContact CD2-CG 4.31Å; I177-F202 HydrophobicContact CB-CD1 3.69Å; I177-F202 HydrophobicContact CB-CE1 3.98Å; I177-F202 HydrophobicContact CB-CG 4.23Å; I177-F202 HydrophobicContact CD1-CD1 4.15Å; I177-F202 HydrophobicContact CD1-CE1 3.64Å; I177-F202 HydrophobicContact CD1-CE2 4.15Å; I177-F202 HydrophobicContact CD1-CZ 3.62Å; I177-F202 HydrophobicContact CG1-CE1 4.41Å; I177-F202 HydrophobicContact CG2-CD1 3.64Å; I177-F202 HydrophobicContact CG2-CE1 3.7Å; I177-F202 PolarHBondContact N-O 3.38Å; A178-F202 HydrophobicContact CB-CB 4.35Å; A178-F202 PolarHBondContact N-O 3.41Å; A178-F202 PolarHBondContact O-N 3.41Å; L180-F202 HydrophobicContact CD1-CB 3.96Å; L180-F202 HydrophobicContact CG-CB 4.4Å
203L98.3Very high79.3Confident0 Ų066.3 Ų66.30%034%0.344CS..EExtended strand (participates in β ladder)trans-108.6142.1-172.9-56.5-175.9000111.3Y152 S153 H155 I163 M174 E175 V176 D201 F205Y152-L203 WeakPolarHBondContact CA-O 3.4Å; S153-L203 PolarHBondContact N-O 3.29Å; S153-L203 PolarHBondContact O-N 2.75Å; H155-L203 HydrophobicContact CB-CD1 4.22Å; I163-L203 HydrophobicContact CD1-CD1 4.15Å; I163-L203 HydrophobicContact CG2-CD1 4Å; M174-L203 HydrophobicContact CE-CD1 3.69Å; M174-L203 HydrophobicContact CE-CD2 3.71Å; M174-L203 HydrophobicContact CE-CG 4.31Å; E175-L203 WeakPolarHBondContact O-CA 3.32Å; V176-L203 HydrophobicContact CB-CD2 4.16Å; V176-L203 HydrophobicContact CG1-CD2 4.31Å; V176-L203 HydrophobicContact CG2-CD2 3.7Å; D201-L203 HydrophobicContact CB-CD2 3.56Å; D201-L203 HydrophobicContact CB-CG 3.98Å; L203-F205 HydrophobicContact CB-CD2 4.47Å; L203-F205 HydrophobicContact CB-CE2 3.64Å; L203-F205 HydrophobicContact CB-CZ 3.98Å; L203-F205 HydrophobicContact CD1-CE2 4.21Å; L203-F205 HydrophobicContact CD1-CZ 3.79Å
204R98.4Very high81.1Confident29 Ų2960.3 Ų60.311%0.10932%0.322CS..EExtended strand (participates in β ladder)trans-115.4133.1166.3177.8-178.8-167.1-84.9-5.5110D46 V151 Y152 M174 E175 I177 S206D46-R204 IonicContact OD2-NE 3.6Å; D46-R204 IonicContact OD2-NH2 3.76Å; D46-R204 PolarHBondContact OD2-NH2 3.3Å; V151-R204 CarbonylContact O-C 3.49Å; V151-R204 WeakPolarHBondContact O-CA 3.48Å; Y152-R204 HydrophobicContact CD1-CB 3.98Å; Y152-R204 HydrophobicContact CD1-CG 4.12Å; Y152-R204 HydrophobicContact CE1-CB 3.78Å; Y152-R204 HydrophobicContact CE1-CG 3.57Å; Y152-R204 WeakPolarHBondContact OH-CD 3.34Å; Y152-R204 PolarHBondContact OH-NE 3.12Å; M174-R204 CarbonylContact C-O 3.53Å; M174-R204 WeakPolarHBondContact CA-O 3.44Å; E175-R204 PolarHBondContact N-O 3.43Å; E175-R204 PolarHBondContact O-N 2.72Å; E175-R204 IonicContact OE1-NH1 2.94Å; I177-R204 HydrophobicContact CD1-CB 3.5Å; I177-R204 HydrophobicContact CD1-CG 4.45Å; I177-R204 HydrophobicContact CG1-CB 4.01Å; R204-S206 PolarHBondContact NH1-OG 3.34Å
205F98.6Very high83.1Confident1 Ų150.9 Ų50.90%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-116.2139.8171.2-51.9-98.1000109.5L140 L144 A150 V151 I163 A167 V172 K173 M174 L203L140-F205 HydrophobicContact CD1-CD2 3.72Å; L140-F205 HydrophobicContact CD1-CE1 4.31Å; L140-F205 HydrophobicContact CD1-CE2 3.5Å; L140-F205 VanDerWaalsContact CD1-CE2 3.5Å; L140-F205 HydrophobicContact CD1-CG 4.23Å; L140-F205 HydrophobicContact CD1-CZ 3.81Å; L140-F205 HydrophobicContact CD2-CE1 4.02Å; L140-F205 HydrophobicContact CD2-CE2 4.25Å; L140-F205 HydrophobicContact CD2-CZ 3.7Å; L140-F205 HydrophobicContact CG-CZ 4.42Å; L144-F205 HydrophobicContact CD2-CB 3.74Å; L144-F205 HydrophobicContact CD2-CG 4.17Å; A150-F205 VanDerWaalsContact CA-O 3.31Å; A150-F205 WeakPolarHBondContact CA-O 3.37Å; V151-F205 HydrophobicContact CB-CB 4.21Å; V151-F205 HydrophobicContact CB-CD2 4.32Å; V151-F205 HydrophobicContact CG1-CD2 4.33Å; V151-F205 PolarHBondContact N-O 3.07Å; V151-F205 PolarHBondContact O-N 3.4Å; I163-F205 HydrophobicContact CG2-CE1 3.86Å; I163-F205 HydrophobicContact CG2-CZ 3.64Å; A167-F205 HydrophobicContact CB-CD1 4.37Å; A167-F205 HydrophobicContact CB-CE1 4.24Å; V172-F205 HydrophobicContact CG2-CD1 4.4Å; K173-F205 CarbonylContact O-C 3.52Å; K173-F205 WeakPolarHBondContact O-CA 3.44Å; M174-F205 HydrophobicContact CB-CD1 3.86Å; M174-F205 HydrophobicContact CB-CE1 3.84Å; M174-F205 HydrophobicContact CG-CD1 4.1Å; M174-F205 HydrophobicContact CG-CE1 3.64Å; M174-F205 HydrophobicContact CG-CZ 4.2Å; M174-F205 HydrophobicContact SD-CE1 3.86Å; M174-F205 HydrophobicContact SD-CZ 4.31Å; L203-F205 HydrophobicContact CB-CD2 4.47Å; L203-F205 HydrophobicContact CB-CE2 3.64Å; L203-F205 HydrophobicContact CB-CZ 3.98Å; L203-F205 HydrophobicContact CD1-CE2 4.21Å; L203-F205 HydrophobicContact CD1-CZ 3.79Å
206S95.3Very high84.9Confident16 Ų1650.8 Ų50.811%0.11228%0.279CS..EExtended strand (participates in β ladder)trans-142.9154.9176.346.70000111K173 R204K173-S206 PolarHBondContact N-O 2.9Å; K173-S206 PolarHBondContact O-N 3.46Å; R204-S206 PolarHBondContact NH1-OG 3.34Å
207T81.6Confident86.8Confident80 Ų8048.4 Ų48.449%0.49126%0.262SS..  trans-68.2145.7168.850.70000109.2
208T59.7Low88.7Confident174 Ų17443.3 Ų43.3100%1.06724%0.235SC*.  trans-79.90177.416.90000111.5G171 K173G171-T208 PolarHBondContact O-OG1 2.94Å; K173-T208 HydrophobicContact CB-CG2 4.49Å

Retrieved 208 of 208 residues in 563.2 ms (Link to these results)

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