A0A3Q0KV49_SCHMA Loading...

SCP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KV49, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 197 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
1M53.1Low59.3Low186 Ų186110.2 Ų110.292%0.91655%0.549SS*.  0111.50-152.7176.7-160.500106.8
2N70.8Confident61.2Low109 Ų109108.3 Ų108.358%0.58354%0.542SS*.  trans-68.1138.7-169.9-176.2-12.3000111.5K4 Q5 Q6N2-K4 PolarHBondContact O-N 3.21Å; N2-K4 VanDerWaalsContact O-N 3.11Å; N2-K4 PolarHBondContact OD1-N 3.15Å; N2-Q5 WeakPolarHBondContact O-CB 3.45Å; N2-Q5 PolarHBondContact O-N 3.32Å; N2-Q6 PolarHBondContact O-N 2.87Å
3D72.1Confident63.3Low114 Ų114112.5 Ų112.561%0.6156%0.555SS**Hα-helixtrans-50.3-36.3179.1-67.2-26.4000112.7Q5 Q6 I7D3-Q5 VanDerWaalsContact C-N 3.32Å; D3-Q5 PolarHBondContact O-N 2.95Å; D3-Q6 PolarHBondContact O-N 2.88Å; D3-I7 WeakPolarHBondContact O-CG1 3.43Å; D3-I7 PolarHBondContact O-N 3.36Å
4K63.2Low65.3Low151 Ų151108.8 Ų108.866%0.65755%0.551SS**Hα-helixtrans-57.1-42.8174.7-67.5-172.7178.6-175.90112.7N2 Q6 I7 I8N2-K4 PolarHBondContact O-N 3.21Å; N2-K4 VanDerWaalsContact O-N 3.11Å; N2-K4 PolarHBondContact OD1-N 3.15Å; K4-Q6 VanDerWaalsContact C-N 3.34Å; K4-I7 PolarHBondContact O-N 3.37Å; K4-I8 VanDerWaalsContact O-CG1 3.31Å; K4-I8 WeakPolarHBondContact O-CG1 3.5Å; K4-I8 PolarHBondContact O-N 3.11Å
5Q51.8Low67.2Low90 Ų90105.9 Ų105.942%0.42153%0.534SS..Hα-helixtrans-68.9-36.1179.8-169.463.348.500111.3N2 D3 N9N2-Q5 WeakPolarHBondContact O-CB 3.45Å; N2-Q5 PolarHBondContact O-N 3.32Å; D3-Q5 VanDerWaalsContact C-N 3.32Å; D3-Q5 PolarHBondContact O-N 2.95Å; Q5-N9 PolarHBondContact NE2-OD1 3.45Å; Q5-N9 VanDerWaalsContact O-CB 3.31Å; Q5-N9 WeakPolarHBondContact O-CB 3.4Å; Q5-N9 PolarHBondContact O-N 3.49Å; Q5-N9 PolarHBondContact O-ND2 3.36Å; Q5-N9 PolarHBondContact O-OD1 3.02Å
6Q44Very low69Low85 Ų85100.9 Ų100.940%0.39751%0.51SS..Hα-helixtrans-66.6-41176.1-62.9-170.615.800111.6N2 D3 K4 N9 K10N2-Q6 PolarHBondContact O-N 2.87Å; D3-Q6 PolarHBondContact O-N 2.88Å; K4-Q6 VanDerWaalsContact C-N 3.34Å; Q6-N9 PolarHBondContact O-N 2.83Å; Q6-K10 WeakPolarHBondContact O-CB 3.48Å; Q6-K10 VanDerWaalsContact O-CG 3.3Å; Q6-K10 WeakPolarHBondContact O-CG 3.32Å; Q6-K10 PolarHBondContact O-N 3.16Å
7I50.1Low70.6Confident115 Ų115100.7 Ų100.759%0.5951%0.505SS*.Hα-helixtrans-63.7-47.3176.9-66.4165000110.6D3 K4 N9 K10 S11D3-I7 WeakPolarHBondContact O-CG1 3.43Å; D3-I7 PolarHBondContact O-N 3.36Å; K4-I7 PolarHBondContact O-N 3.37Å; I7-N9 PolarHBondContact O-N 3.3Å; I7-K10 PolarHBondContact O-N 3.09Å; I7-S11 WeakPolarHBondContact O-CB 3.48Å; I7-S11 PolarHBondContact O-N 2.77Å
8I53.6Low72Confident84 Ų8498.6 Ų98.643%0.43150%0.496SS..Hα-helixtrans-59.9-47.4176.7-67.8165.1000110.7K4 K10 S11 N12K4-I8 VanDerWaalsContact O-CG1 3.31Å; K4-I8 WeakPolarHBondContact O-CG1 3.5Å; K4-I8 PolarHBondContact O-N 3.11Å; I8-K10 VanDerWaalsContact C-N 3.29Å; I8-K10 PolarHBondContact O-N 3.31Å; I8-S11 PolarHBondContact O-N 3Å; I8-N12 WeakPolarHBondContact O-CB 3.49Å; I8-N12 PolarHBondContact O-N 2.91Å; I8-N12 PolarHBondContact O-OD1 3.41Å
9N67.5Low73.4Confident75 Ų7593.4 Ų93.440%0.40147%0.47SS..Hα-helixtrans-62.6-36.6178.7-70.7-6.1000112.3Q5 Q6 I7 K13Q5-N9 PolarHBondContact NE2-OD1 3.45Å; Q5-N9 VanDerWaalsContact O-CB 3.31Å; Q5-N9 WeakPolarHBondContact O-CB 3.4Å; Q5-N9 PolarHBondContact O-N 3.49Å; Q5-N9 PolarHBondContact O-ND2 3.36Å; Q5-N9 PolarHBondContact O-OD1 3.02Å; Q6-N9 PolarHBondContact O-N 2.83Å; I7-N9 PolarHBondContact O-N 3.3Å; N9-K13 WeakPolarHBondContact O-CB 3.42Å; N9-K13 PolarHBondContact O-N 2.97Å; N9-K13 VanDerWaalsContact O-N 3.14Å
10K60Low74.6Confident147 Ų14788.8 Ų88.864%0.63945%0.446SS*.Hα-helixtrans-68.3-43.9174.5-77.2-179.9-176.6-1800111.6Q6 I7 I8 K13 A14Q6-K10 WeakPolarHBondContact O-CB 3.48Å; Q6-K10 VanDerWaalsContact O-CG 3.3Å; Q6-K10 WeakPolarHBondContact O-CG 3.32Å; Q6-K10 PolarHBondContact O-N 3.16Å; I7-K10 PolarHBondContact O-N 3.09Å; I8-K10 VanDerWaalsContact C-N 3.29Å; I8-K10 PolarHBondContact O-N 3.31Å; K10-K13 PolarHBondContact O-N 3.05Å; K10-A14 PolarHBondContact O-N 2.98Å
11S65.9Low75.8Confident56 Ų5688.4 Ų88.439%0.39244%0.443SS..Hα-helixtrans-58.6-52.9176.5-168.40000110.8I7 I8 K13 A14 E15I7-S11 WeakPolarHBondContact O-CB 3.48Å; I7-S11 PolarHBondContact O-N 2.77Å; I8-S11 PolarHBondContact O-N 3Å; S11-K13 PolarHBondContact O-N 3.39Å; S11-A14 PolarHBondContact O-N 3.38Å; S11-E15 WeakPolarHBondContact O-CG 3.29Å; S11-E15 PolarHBondContact O-N 3.43Å
12N82.3Confident77.9Confident87 Ų8781.4 Ų81.447%0.46541%0.409SS..Hα-helixtrans-59.5-36.5-179.9-64.61.6000111.7I8 L16I8-N12 WeakPolarHBondContact O-CB 3.49Å; I8-N12 PolarHBondContact O-N 2.91Å; I8-N12 PolarHBondContact O-OD1 3.41Å; N12-L16 VanDerWaalsContact O-CB 3.26Å; N12-L16 WeakPolarHBondContact O-CB 3.45Å; N12-L16 PolarHBondContact O-N 3.38Å
13K88.3Confident79.2Confident163 Ų16376.3 Ų76.371%0.70938%0.382SS*.Hα-helixtrans-68.1-40.5176.6-173.1178.4177.8-174.90112.3N9 K10 S11 F17N9-K13 WeakPolarHBondContact O-CB 3.42Å; N9-K13 PolarHBondContact O-N 2.97Å; N9-K13 VanDerWaalsContact O-N 3.14Å; K10-K13 PolarHBondContact O-N 3.05Å; S11-K13 PolarHBondContact O-N 3.39Å; K13-F17 WeakPolarHBondContact O-CB 3.34Å; K13-F17 PolarHBondContact O-N 3.01Å
14A91.8Very high80.5Confident61 Ų6171.8 Ų71.850%0.50436%0.357SS..Hα-helixtrans-67.9-42.9177.500000111.5K10 S11 F17 N18K10-A14 PolarHBondContact O-N 2.98Å; S11-A14 PolarHBondContact O-N 3.38Å; A14-F17 PolarHBondContact O-N 2.98Å; A14-N18 PolarHBondContact O-N 2.73Å
15E93.6Very high82.2Confident65 Ų6572.6 Ų72.630%0.30436%0.361SS..Hα-helixtrans-61.8-47175.7-68.1177.7141.200111.7S11 F17 N18 F19 Y83 F129S11-E15 WeakPolarHBondContact O-CG 3.29Å; S11-E15 PolarHBondContact O-N 3.43Å; E15-F17 VanDerWaalsContact C-N 3.31Å; E15-F17 PolarHBondContact O-N 3.48Å; E15-N18 PolarHBondContact O-N 3.47Å; E15-F19 VanDerWaalsContact O-CB 3.31Å; E15-F19 WeakPolarHBondContact O-CB 3.47Å; E15-F19 PolarHBondContact O-N 2.95Å; E15-Y83 HydrophobicContact CB-CE1 4.42Å; E15-Y83 HydrophobicContact CB-CE2 4.47Å; E15-Y83 HydrophobicContact CG-CE1 4.32Å; E15-F129 HydrophobicContact CB-CZ 4.47Å
16L95.5Very high84.4Confident27 Ų2769.6 Ų69.614%0.14135%0.347CS..Hα-helixtrans-60.8-40.3176.3-178.260.6000112.2N12 N20 Q50 F129N12-L16 VanDerWaalsContact O-CB 3.26Å; N12-L16 WeakPolarHBondContact O-CB 3.45Å; N12-L16 PolarHBondContact O-N 3.38Å; L16-N20 WeakPolarHBondContact CD1-ND2 3.31Å; L16-N20 WeakPolarHBondContact O-CB 3.33Å; L16-N20 PolarHBondContact O-N 3.45Å; L16-N20 VanDerWaalsContact O-N 3.08Å; L16-N20 PolarHBondContact O-ND2 2.86Å; L16-Q50 HydrophobicContact CD2-CB 4.14Å; L16-Q50 HydrophobicContact CD2-CG 4.14Å; L16-F129 HydrophobicContact CD1-CD1 4.32Å; L16-F129 HydrophobicContact CD1-CE1 4.32Å
17F96.3Very high87Confident97 Ų9765.5 Ų65.543%0.42533%0.328SS..Hα-helixtrans-64-49.1176.9-175.8-94.3000111.4K13 A14 E15 F19 N20 E21 M46K13-F17 WeakPolarHBondContact O-CB 3.34Å; K13-F17 PolarHBondContact O-N 3.01Å; A14-F17 PolarHBondContact O-N 2.98Å; E15-F17 VanDerWaalsContact C-N 3.31Å; E15-F17 PolarHBondContact O-N 3.48Å; F17-F19 PolarHBondContact O-N 2.87Å; F17-N20 WeakPolarHBondContact O-CB 3.44Å; F17-N20 PolarHBondContact O-N 3.07Å; F17-E21 HydrophobicContact CD1-CG 4.3Å; F17-E21 HydrophobicContact CE1-CG 3.84Å; F17-E21 HydrophobicContact CZ-CG 4.16Å; F17-E21 PolarHBondContact O-N 3.18Å; F17-M46 HydrophobicContact CD2-CE 4.25Å
18N96.4Very high89.3Confident63 Ų6361 Ų6134%0.33731%0.305SS..Hα-helixtrans-64.1-40.2179.1-175.448.4000112.6A14 E15 N20 E21 I22 Q84A14-N18 PolarHBondContact O-N 2.73Å; E15-N18 PolarHBondContact O-N 3.47Å; N18-N20 VanDerWaalsContact C-N 3.28Å; N18-N20 PolarHBondContact O-N 2.96Å; N18-E21 PolarHBondContact O-N 3.02Å; N18-I22 WeakPolarHBondContact O-CG1 3.31Å; N18-I22 PolarHBondContact O-N 2.84Å; N18-I22 VanDerWaalsContact O-N 3.13Å; N18-Q84 PolarHBondContact ND2-NE2 3.16Å
19F97.9Very high91.4Very high0 Ų060.3 Ų60.30%030%0.297CS..Hα-helixtrans-56.2-44172.6174.9-101.4000111.9E15 F17 I22 C23 Y83 G87 F127 F129 V140E15-F19 VanDerWaalsContact O-CB 3.31Å; E15-F19 WeakPolarHBondContact O-CB 3.47Å; E15-F19 PolarHBondContact O-N 2.95Å; F17-F19 PolarHBondContact O-N 2.87Å; F19-I22 PolarHBondContact O-N 2.81Å; F19-C23 WeakPolarHBondContact O-CB 3.37Å; F19-C23 PolarHBondContact O-N 3.32Å; F19-C23 PolarHBondContact O-SG 3.3Å; F19-Y83 HydrophobicContact CB-CD2 4.04Å; F19-Y83 HydrophobicContact CB-CE2 4.19Å; F19-Y83 AromaticContact CD2-CD2 3.89Å; F19-Y83 HydrophobicContact CD2-CD2 3.89Å; F19-Y83 WeakPolarHBondContact CD2-O 3.42Å; F19-Y83 WeakPolarHBondContact CE2-O 3.27Å; F19-Y83 HydrophobicContact CG-CD2 4.38Å; F19-G87 VanDerWaalsContact CE2-CA 3.4Å; F19-F127 HydrophobicContact CD1-CB 4.11Å; F19-F127 HydrophobicContact CE1-CB 3.62Å; F19-F129 HydrophobicContact CB-CD1 4.01Å; F19-F129 HydrophobicContact CB-CE1 3.79Å; F19-F129 AromaticContact CD1-CD1 3.53Å; F19-F129 HydrophobicContact CD1-CD1 3.53Å; F19-F129 HydrophobicContact CD1-CE1 4.17Å; F19-F129 HydrophobicContact CD1-CG 4.48Å; F19-F129 AromaticContact CD2-CD1 3.83Å; F19-F129 HydrophobicContact CD2-CD1 3.83Å; F19-F129 HydrophobicContact CD2-CE1 4.27Å; F19-F129 HydrophobicContact CD2-CG 4.39Å; F19-F129 HydrophobicContact CE1-CB 4.06Å; F19-F129 AromaticContact CE1-CD1 3.83Å; F19-F129 HydrophobicContact CE1-CD1 3.83Å; F19-F129 HydrophobicContact CE1-CG 4.39Å; F19-F129 HydrophobicContact CE2-CB 4.14Å; F19-F129 HydrophobicContact CE2-CD1 4.09Å; F19-F129 HydrophobicContact CE2-CG 4.29Å; F19-F129 AromaticContact CG-CD1 3.51Å; F19-F129 HydrophobicContact CG-CD1 3.51Å; F19-F129 AromaticContact CG-CE1 3.83Å; F19-F129 HydrophobicContact CG-CE1 3.83Å; F19-F129 HydrophobicContact CG-CG 4.46Å; F19-F129 HydrophobicContact CZ-CB 3.8Å; F19-F129 HydrophobicContact CZ-CD1 4.1Å; F19-F129 HydrophobicContact CZ-CG 4.3Å; F19-V140 HydrophobicContact CZ-CG1 3.89Å; F19-V140 HydrophobicContact CZ-CG2 4.31Å
20N98.5Very high92.9Very high0 Ų056.7 Ų56.70%028%0.278CS..Hα-helixtrans-66.1-40.4178.6-91.7-89.8000113.1L16 F17 N18 C23 L24 L41 M46 F127L16-N20 WeakPolarHBondContact CD1-ND2 3.31Å; L16-N20 WeakPolarHBondContact O-CB 3.33Å; L16-N20 PolarHBondContact O-N 3.45Å; L16-N20 VanDerWaalsContact O-N 3.08Å; L16-N20 PolarHBondContact O-ND2 2.86Å; F17-N20 WeakPolarHBondContact O-CB 3.44Å; F17-N20 PolarHBondContact O-N 3.07Å; N18-N20 VanDerWaalsContact C-N 3.28Å; N18-N20 PolarHBondContact O-N 2.96Å; N20-C23 PolarHBondContact O-N 3.28Å; N20-L24 WeakPolarHBondContact O-CB 3.29Å; N20-L24 PolarHBondContact O-N 3.34Å; N20-L41 HydrophobicContact CB-CD1 3.84Å; N20-L41 HydrophobicContact CB-CD2 3.82Å; N20-L41 WeakPolarHBondContact OD1-CD2 3.33Å; N20-M46 HydrophobicContact CB-CE 3.99Å; N20-M46 WeakPolarHBondContact OD1-CG 3.26Å; N20-F127 PolarHBondContact ND2-O 3.31Å; N20-F127 PolarHBondContact OD1-N 2.88Å; N20-F127 PolarHBondContact OD1-O 3.06Å
21E98.2Very high94.7Very high82 Ų8249.7 Ų49.738%0.38325%0.247SC..Hα-helixtrans-61.2-44.2176-74.8-63.4138.600111.7F17 N18 L24 K25 L41F17-E21 HydrophobicContact CD1-CG 4.3Å; F17-E21 HydrophobicContact CE1-CG 3.84Å; F17-E21 HydrophobicContact CZ-CG 4.16Å; F17-E21 PolarHBondContact O-N 3.18Å; N18-E21 PolarHBondContact O-N 3.02Å; E21-L24 PolarHBondContact O-N 3.23Å; E21-K25 WeakPolarHBondContact O-CB 3.34Å; E21-K25 PolarHBondContact O-N 3.45Å; E21-L41 HydrophobicContact CG-CD1 4.5Å; E21-L41 VanDerWaalsContact OE1-CD1 3.22Å; E21-L41 WeakPolarHBondContact OE1-CD1 3.26Å
22I98Very high96.2Very high39 Ų3953.9 Ų53.920%0.225%0.254CS..Hα-helixtrans-63.8-49.3178-67.8167.5000110.8N18 F19 L24 K25 E26 Q84 L88N18-I22 WeakPolarHBondContact O-CG1 3.31Å; N18-I22 PolarHBondContact O-N 2.84Å; N18-I22 VanDerWaalsContact O-N 3.13Å; F19-I22 PolarHBondContact O-N 2.81Å; I22-L24 PolarHBondContact O-N 2.78Å; I22-K25 PolarHBondContact O-N 2.97Å; I22-E26 PolarHBondContact O-N 3.2Å; I22-E26 VanDerWaalsContact O-N 3.15Å; I22-Q84 HydrophobicContact CD1-CB 3.83Å; I22-Q84 HydrophobicContact CD1-CG 3.67Å; I22-L88 HydrophobicContact CG2-CD1 4.11Å; I22-L88 HydrophobicContact CG2-CD2 3.62Å; I22-L88 HydrophobicContact CG2-CG 3.75Å
23C98.6Very high97Very high1 Ų150 Ų501%0.00723%0.234CC..Hα-helixtrans-64.2-40.6178.8-65.60000111.9F19 N20 E26 N27 I91 F127F19-C23 WeakPolarHBondContact O-CB 3.37Å; F19-C23 PolarHBondContact O-N 3.32Å; F19-C23 PolarHBondContact O-SG 3.3Å; N20-C23 PolarHBondContact O-N 3.28Å; C23-E26 PolarHBondContact O-N 2.89Å; C23-N27 VanDerWaalsContact O-CB 3.24Å; C23-N27 WeakPolarHBondContact O-CB 3.46Å; C23-N27 PolarHBondContact O-N 3.11Å; C23-I91 HydrophobicContact CB-CD1 4.49Å; C23-I91 HydrophobicContact CB-CG1 4.38Å; C23-F127 HydrophobicContact CB-CB 4.38Å; C23-F127 HydrophobicContact CB-CD1 4.14Å; C23-F127 HydrophobicContact CB-CD2 3.44Å; C23-F127 VanDerWaalsContact CB-CD2 3.44Å; C23-F127 HydrophobicContact CB-CE1 4.28Å; C23-F127 HydrophobicContact CB-CE2 3.58Å; C23-F127 HydrophobicContact CB-CG 3.73Å; C23-F127 HydrophobicContact CB-CZ 4Å
24L98.7Very high97.4Very high20 Ų2042.3 Ų42.311%0.10520%0.2CC..Hα-helixtrans-62.1-45.5176.2177.568.1000111.1N20 E21 I22 E26 N27 N28 L39 L41 V125 F127N20-L24 WeakPolarHBondContact O-CB 3.29Å; N20-L24 PolarHBondContact O-N 3.34Å; E21-L24 PolarHBondContact O-N 3.23Å; I22-L24 PolarHBondContact O-N 2.78Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 3.04Å; L24-N27 PolarHBondContact O-N 3.41Å; L24-N28 WeakPolarHBondContact CD1-ND2 3.31Å; L24-N28 WeakPolarHBondContact CG-ND2 3.16Å; L24-N28 VanDerWaalsContact O-CB 3.26Å; L24-N28 WeakPolarHBondContact O-CB 3.08Å; L24-N28 PolarHBondContact O-N 3.35Å; L24-N28 PolarHBondContact O-ND2 3.31Å; L24-L39 HydrophobicContact CD1-CB 3.99Å; L24-L41 HydrophobicContact CB-CD2 4.18Å; L24-L41 HydrophobicContact CB-CG 4.3Å; L24-L41 HydrophobicContact CD2-CD1 4.3Å; L24-L41 HydrophobicContact CD2-CD2 4.44Å; L24-L41 HydrophobicContact CD2-CG 3.74Å; L24-L41 HydrophobicContact CG-CG 4.42Å; L24-V125 HydrophobicContact CD1-CG1 3.62Å; L24-F127 HydrophobicContact CB-CE2 4.46Å
25K98.6Very high97.6Very high167 Ų16744.6 Ų44.673%0.72620%0.2SC*.Hα-helixtrans-58.3-47.6-179.8-178.3179.3176.1-176.30110.8E21 I22 N28 R29E21-K25 WeakPolarHBondContact O-CB 3.34Å; E21-K25 PolarHBondContact O-N 3.45Å; I22-K25 PolarHBondContact O-N 2.97Å; K25-N28 PolarHBondContact O-N 2.81Å; K25-R29 PolarHBondContact O-N 3.31Å
26E98.5Very high97.8Very high27 Ų2741.9 Ų41.913%0.12619%0.188CC..Hα-helixtrans-70.6-42.8-179.8-174.953.7-157.700112.4I22 C23 L24 N28 R29 L30 L88 I91 Q92I22-E26 PolarHBondContact O-N 3.2Å; I22-E26 VanDerWaalsContact O-N 3.15Å; C23-E26 PolarHBondContact O-N 2.89Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 3.04Å; E26-N28 VanDerWaalsContact C-N 3.29Å; E26-N28 PolarHBondContact O-N 2.74Å; E26-R29 VanDerWaalsContact CD-NE 3.31Å; E26-R29 WeakPolarHBondContact O-CB 3.42Å; E26-R29 PolarHBondContact O-N 3.41Å; E26-R29 VanDerWaalsContact O-N 3.08Å; E26-R29 IonicContact OE1-CZ 3.01Å; E26-R29 IonicContact OE1-NE 3.95Å; E26-R29 PolarHBondContact OE1-NE 3.42Å; E26-R29 IonicContact OE1-NH2 2.87Å; E26-R29 PolarHBondContact OE1-NH2 3.45Å; E26-R29 IonicContact OE2-NE 2.89Å; E26-R29 PolarHBondContact OE2-NE 2.94Å; E26-L30 HydrophobicContact CG-CD1 4.38Å; E26-L30 WeakPolarHBondContact O-CG 3.35Å; E26-L30 PolarHBondContact O-N 3.37Å; E26-L88 HydrophobicContact CB-CD2 3.73Å; E26-L88 HydrophobicContact CG-CD2 4.04Å; E26-I91 HydrophobicContact CB-CG2 4.17Å; E26-I91 HydrophobicContact CG-CB 4.41Å; E26-I91 HydrophobicContact CG-CG2 3.65Å; E26-Q92 VanDerWaalsContact CD-NE2 3.35Å; E26-Q92 PolarHBondContact OE1-NE2 3.32Å
27N98.6Very high98Very high0 Ų043.6 Ų43.60%020%0.201CC..Hα-helixtrans-57.2-44.2174.8-165.9-75.5000111.4C23 L24 R29 L30 R31 I91 F127 Y144C23-N27 VanDerWaalsContact O-CB 3.24Å; C23-N27 WeakPolarHBondContact O-CB 3.46Å; C23-N27 PolarHBondContact O-N 3.11Å; L24-N27 PolarHBondContact O-N 3.41Å; N27-R29 PolarHBondContact O-N 3.13Å; N27-L30 PolarHBondContact O-N 2.94Å; N27-R31 WeakPolarHBondContact O-CB 3.3Å; N27-R31 VanDerWaalsContact O-CG 3.3Å; N27-R31 WeakPolarHBondContact O-CG 3.4Å; N27-R31 PolarHBondContact O-N 3.21Å; N27-R31 VanDerWaalsContact OD1-CD 3.23Å; N27-R31 WeakPolarHBondContact OD1-CD 3.31Å; N27-I91 HydrophobicContact CB-CD1 4.22Å; N27-F127 HydrophobicContact CB-CZ 4.31Å; N27-Y144 PolarHBondContact ND2-OH 2.88Å
28N98.7Very high98.1Very high20 Ų2047 Ų4711%0.10722%0.215CC..Hα-helixtrans-69.2-29.8177.1-79.8-27.3000113.6L24 K25 E26 R32 K38 L39L24-N28 WeakPolarHBondContact CD1-ND2 3.31Å; L24-N28 WeakPolarHBondContact CG-ND2 3.16Å; L24-N28 VanDerWaalsContact O-CB 3.26Å; L24-N28 WeakPolarHBondContact O-CB 3.08Å; L24-N28 PolarHBondContact O-N 3.35Å; L24-N28 PolarHBondContact O-ND2 3.31Å; K25-N28 PolarHBondContact O-N 2.81Å; E26-N28 VanDerWaalsContact C-N 3.29Å; E26-N28 PolarHBondContact O-N 2.74Å; N28-R32 PolarHBondContact O-N 3.21Å; N28-K38 HydrophobicContact CB-CG 4.38Å; N28-K38 WeakPolarHBondContact OD1-CA 3.46Å; N28-L39 PolarHBondContact ND2-O 2.92Å; N28-L39 PolarHBondContact OD1-N 2.81Å
29R98.1Very high98.2Very high69 Ų6944.1 Ų44.126%0.2620%0.2SC..Hα-helixtrans-61.2-48.5171.3-172.3-16871.885.8-2109.9K25 E26 N27 R32 E167K25-R29 PolarHBondContact O-N 3.31Å; E26-R29 VanDerWaalsContact CD-NE 3.31Å; E26-R29 WeakPolarHBondContact O-CB 3.42Å; E26-R29 PolarHBondContact O-N 3.41Å; E26-R29 VanDerWaalsContact O-N 3.08Å; E26-R29 IonicContact OE1-CZ 3.01Å; E26-R29 IonicContact OE1-NE 3.95Å; E26-R29 PolarHBondContact OE1-NE 3.42Å; E26-R29 IonicContact OE1-NH2 2.87Å; E26-R29 PolarHBondContact OE1-NH2 3.45Å; E26-R29 IonicContact OE2-NE 2.89Å; E26-R29 PolarHBondContact OE2-NE 2.94Å; N27-R29 PolarHBondContact O-N 3.13Å; R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 PolarHBondContact O-N 3.02Å; R29-E167 IonicContact NH2-OE1 3.88Å
30L98.2Very high98.2Very high0 Ų051.6 Ų51.60%023%0.233CC..Hα-helixtrans-67.3-44.1-179.9-65.6168.9000112E26 N27 R32 L33 H34 I91 Y95 M117E26-L30 HydrophobicContact CG-CD1 4.38Å; E26-L30 WeakPolarHBondContact O-CG 3.35Å; E26-L30 PolarHBondContact O-N 3.37Å; N27-L30 PolarHBondContact O-N 2.94Å; L30-R32 PolarHBondContact O-N 3.27Å; L30-L33 HydrophobicContact CD2-CD1 4.27Å; L30-L33 VanDerWaalsContact O-CB 3.28Å; L30-L33 WeakPolarHBondContact O-CB 3.21Å; L30-L33 PolarHBondContact O-N 2.88Å; L30-H34 PolarHBondContact O-CD2 3.23Å; L30-I91 HydrophobicContact CD1-CG2 3.61Å; L30-Y95 HydrophobicContact CB-CD2 3.9Å; L30-Y95 HydrophobicContact CB-CE2 3.92Å; L30-Y95 HydrophobicContact CD1-CD1 4.41Å; L30-Y95 HydrophobicContact CD1-CD2 3.94Å; L30-Y95 HydrophobicContact CD1-CG 3.79Å; L30-Y95 HydrophobicContact CD2-CD1 3.7Å; L30-Y95 HydrophobicContact CD2-CD2 3.93Å; L30-Y95 HydrophobicContact CD2-CE1 3.7Å; L30-Y95 HydrophobicContact CD2-CE2 3.9Å; L30-Y95 HydrophobicContact CD2-CG 3.81Å; L30-Y95 HydrophobicContact CG-CD2 4.15Å; L30-Y95 HydrophobicContact CG-CE2 4.37Å; L30-Y95 HydrophobicContact CG-CG 4.25Å; L30-M117 HydrophobicContact CD1-CE 3.65Å
31R98.4Very high98.2Very high0 Ų053.6 Ų53.60%024%0.243CC..Hα-helixtrans-56.8-36.2175.2-75.3178.264.783-1.8113.5N27 L33 H34 C36 P37 L39 M117 I118 W119 T122N27-R31 WeakPolarHBondContact O-CB 3.3Å; N27-R31 VanDerWaalsContact O-CG 3.3Å; N27-R31 WeakPolarHBondContact O-CG 3.4Å; N27-R31 PolarHBondContact O-N 3.21Å; N27-R31 VanDerWaalsContact OD1-CD 3.23Å; N27-R31 WeakPolarHBondContact OD1-CD 3.31Å; R31-L33 PolarHBondContact O-N 3.34Å; R31-H34 CarbonylContact O-C 3.57Å; R31-H34 PolarHBondContact O-N 3.2Å; R31-C36 HydrophobicContact CB-CB 3.96Å; R31-C36 HydrophobicContact CG-CB 4.41Å; R31-C36 WeakPolarHBondContact O-CB 3.15Å; R31-C36 PolarHBondContact O-N 2.74Å; R31-P37 VanDerWaalsContact CZ-O 3.3Å; R31-P37 PolarHBondContact NE-O 3.31Å; R31-P37 PolarHBondContact NH2-O 3.14Å; R31-L39 VanDerWaalsContact CZ-CD2 3.5Å; R31-M117 WeakPolarHBondContact CD-O 3.32Å; R31-M117 VanDerWaalsContact CG-O 3.32Å; R31-M117 WeakPolarHBondContact CG-O 3.24Å; R31-M117 PolarHBondContact NH1-O 2.91Å; R31-I118 HydrophobicContact CG-CG2 4.5Å; R31-W119 PolarHBondContact NH1-O 2.97Å; R31-W119 PolarHBondContact NH2-O 2.84Å; R31-T122 PolarHBondContact NH2-O 3.19Å
32R97.7Very high98.2Very high144 Ų14450.5 Ų50.554%0.54323%0.231SC..Hα-helixtrans-59-37.3177.6-177.1-178.165.6-133.4-0.3111.5N28 R29 L30 H34 H35 I162N28-R32 PolarHBondContact O-N 3.21Å; R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 PolarHBondContact O-N 3.02Å; L30-R32 PolarHBondContact O-N 3.27Å; R32-H34 PolarHBondContact O-N 2.85Å; R32-H34 VanDerWaalsContact O-N 3.13Å; R32-H35 PolarHBondContact O-N 2.92Å; R32-I162 WeakPolarHBondContact O-CD1 3.37Å
33L97.4Very high98.1Very high5 Ų555.1 Ų55.13%0.02625%0.251CS..Hα-helixtrans-61.7-20.5178.9-54.7177.7000112.4L30 R31 R161 I162 D165L30-L33 HydrophobicContact CD2-CD1 4.27Å; L30-L33 VanDerWaalsContact O-CB 3.28Å; L30-L33 WeakPolarHBondContact O-CB 3.21Å; L30-L33 PolarHBondContact O-N 2.88Å; R31-L33 PolarHBondContact O-N 3.34Å; L33-R161 HydrophobicContact CB-CG 4.14Å; L33-R161 CarbonylContact O-C 3.48Å; L33-R161 VanDerWaalsContact O-CA 3.23Å; L33-R161 WeakPolarHBondContact O-CA 3.34Å; L33-I162 WeakPolarHBondContact O-CG1 3.28Å; L33-I162 PolarHBondContact O-N 2.8Å; L33-D165 HydrophobicContact CD2-CB 4.24Å
34H97.6Very high98Very high1 Ų162.3 Ų62.31%0.00529%0.285CS..THydrogen-bonded Turntrans-113.827.8-177.4-64.9-89.4000112.9L30 R31 R32 C36 Y95 Y103 F114 I118 L159L30-H34 PolarHBondContact O-CD2 3.23Å; R31-H34 CarbonylContact O-C 3.57Å; R31-H34 PolarHBondContact O-N 3.2Å; R32-H34 PolarHBondContact O-N 2.85Å; R32-H34 VanDerWaalsContact O-N 3.13Å; H34-C36 PolarHBondContact O-N 3.35Å; H34-C36 PolarHBondContact O-SG 2.84Å; H34-Y95 AromaticContact CD2-CE2 3.96Å; H34-Y95 AromaticContact NE2-CE2 3.45Å; H34-Y95 WeakPolarHBondContact NE2-CE2 3.15Å; H34-Y95 AromaticContact NE2-CZ 3.61Å; H34-Y95 PolarHBondContact NE2-OH 3.11Å; H34-Y103 PolarHBondContact CE1-OH 3.24Å; H34-Y103 VanDerWaalsContact CE1-OH 3.25Å; H34-F114 AromaticContact CE1-CE2 3.87Å; H34-F114 AromaticContact CE1-CZ 3.63Å; H34-F114 AromaticContact NE2-CE2 3.75Å; H34-I118 HydrophobicContact CB-CB 4.3Å; H34-I118 HydrophobicContact CB-CD1 4.06Å; H34-I118 HydrophobicContact CB-CG2 4.4Å; H34-L159 PolarHBondContact ND1-O 2.65Å
35H96.4Very high98Very high109 Ų10961.8 Ų61.851%0.50528%0.282SS..THydrogen-bonded Turntrans56.621.2-179.1-52.4-89000114.9R32 L159 I162R32-H35 PolarHBondContact O-N 2.92Å; H35-L159 HydrophobicContact CB-CD1 3.91Å; H35-I162 WeakPolarHBondContact CE1-CG1 3.41Å; H35-I162 VanDerWaalsContact NE2-CG1 3.32Å; H35-I162 WeakPolarHBondContact NE2-CG1 3.28Å
36C98.1Very high98Very high9 Ų954.4 Ų54.46%0.06125%0.25CC..PPolyproline II helixtrans-93.9133.9-173.5-74.30000111.4R31 H34 I118R31-C36 HydrophobicContact CB-CB 3.96Å; R31-C36 HydrophobicContact CG-CB 4.41Å; R31-C36 WeakPolarHBondContact O-CB 3.15Å; R31-C36 PolarHBondContact O-N 2.74Å; H34-C36 PolarHBondContact O-N 3.35Å; H34-C36 PolarHBondContact O-SG 2.84Å; C36-I118 PolarHBondContact SG-O 3.48Å
37P98.2Very high97.8Very high62 Ų6259.6 Ų59.640%0.40327%0.272SS..PPolyproline II helixtrans-58.9149.7177.2-2433.3000112.1R31 L39R31-P37 VanDerWaalsContact CZ-O 3.3Å; R31-P37 PolarHBondContact NE-O 3.31Å; R31-P37 PolarHBondContact NH2-O 3.14Å; P37-L39 PolarHBondContact O-N 3.08Å
38K98.6Very high97.7Very high168 Ų16861.4 Ų61.473%0.7329%0.285SS*.PPolyproline II helixtrans-59.7136174.5-65.8-178.2-179.1177.50111N28N28-K38 HydrophobicContact CB-CG 4.38Å; N28-K38 WeakPolarHBondContact OD1-CA 3.46Å
39L98.8Very high97.6Very high4 Ų460.5 Ų60.52%0.02128%0.28CS..PPolyproline II helixtrans-76.3158.2167.6-55.3-177.1000110.3L24 N28 R31 P37 T122 K123 V125 Y144L24-L39 HydrophobicContact CD1-CB 3.99Å; N28-L39 PolarHBondContact ND2-O 2.92Å; N28-L39 PolarHBondContact OD1-N 2.81Å; R31-L39 VanDerWaalsContact CZ-CD2 3.5Å; P37-L39 PolarHBondContact O-N 3.08Å; L39-T122 HydrophobicContact CD1-CG2 4.32Å; L39-T122 HydrophobicContact CD2-CG2 3.78Å; L39-T122 WeakPolarHBondContact CD2-O 3.13Å; L39-K123 WeakPolarHBondContact CA-O 3.49Å; L39-V125 HydrophobicContact CB-CG1 4.02Å; L39-V125 HydrophobicContact CD1-CB 3.93Å; L39-V125 HydrophobicContact CD1-CG1 4.06Å; L39-Y144 HydrophobicContact CD1-CD1 4.12Å; L39-Y144 HydrophobicContact CD1-CE1 4.19Å
40K98.7Very high97.6Very high157 Ų15758.6 Ų58.668%0.68327%0.274SS*.EExtended strand (participates in β ladder)trans-114.3147.7169.5-61.4-175.9-179.4-177.80110.2K123 K124 V125K40-K123 PolarHBondContact N-O 3.19Å; K40-K124 CarbonylContact O-C 3.58Å; K40-K124 WeakPolarHBondContact O-CA 3.45Å; K40-V125 PolarHBondContact O-N 2.7Å
41L98.4Very high97.5Very high42 Ų4266.3 Ų66.322%0.2230%0.304CS..EExtended strand (participates in β ladder)trans-65.8143.6170.8-75175.9000111.1N20 E21 L24 V125N20-L41 HydrophobicContact CB-CD1 3.84Å; N20-L41 HydrophobicContact CB-CD2 3.82Å; N20-L41 WeakPolarHBondContact OD1-CD2 3.33Å; E21-L41 HydrophobicContact CG-CD1 4.5Å; E21-L41 VanDerWaalsContact OE1-CD1 3.22Å; E21-L41 WeakPolarHBondContact OE1-CD1 3.26Å; L24-L41 HydrophobicContact CB-CD2 4.18Å; L24-L41 HydrophobicContact CB-CG 4.3Å; L24-L41 HydrophobicContact CD2-CD1 4.3Å; L24-L41 HydrophobicContact CD2-CD2 4.44Å; L24-L41 HydrophobicContact CD2-CG 3.74Å; L24-L41 HydrophobicContact CG-CG 4.42Å; L41-V125 CarbonylContact C-O 3.55Å; L41-V125 WeakPolarHBondContact CA-O 3.39Å; L41-V125 HydrophobicContact CD2-CG1 4.33Å
42S98.2Very high97.4Very high17 Ų1766.4 Ų66.412%0.11931%0.305CS..  trans-123118.5170.8173.90000109.6Q44 L45 M46 V125S42-Q44 PolarHBondContact O-N 3.42Å; S42-Q44 VanDerWaalsContact O-N 3.16Å; S42-L45 PolarHBondContact O-N 2.85Å; S42-M46 VanDerWaalsContact O-CG 3.31Å; S42-M46 WeakPolarHBondContact O-CG 3.34Å; S42-M46 PolarHBondContact O-N 2.96Å; S42-V125 PolarHBondContact N-O 2.71Å
43H96.4Very high97.3Very high135 Ų13559.5 Ų59.563%0.62528%0.279SS*.Hα-helixtrans-56.4-32.5177.3-70.8-55.7000113.4K47H43-K47 WeakPolarHBondContact O-CG 3.35Å; H43-K47 PolarHBondContact O-N 3.2Å; H43-K47 VanDerWaalsContact O-N 3.15Å
44Q96.6Very high97.2Very high153 Ų15362.5 Ų62.572%0.71529%0.293SS*.Hα-helixtrans-67.5-43.5175.6-175179.11.300111.4S42 K47 S48S42-Q44 PolarHBondContact O-N 3.42Å; S42-Q44 VanDerWaalsContact O-N 3.16Å; Q44-K47 PolarHBondContact O-N 2.47Å; Q44-S48 WeakPolarHBondContact O-CB 3.47Å; Q44-S48 PolarHBondContact O-N 2.93Å
45L97.9Very high97.1Very high9 Ų966.3 Ų66.35%0.04731%0.308CS..Hα-helixtrans-69.6-36.1177.6-61.3177.4000111.5S42 K47 S48 A49 C70 K124 H143 L145S42-L45 PolarHBondContact O-N 2.85Å; L45-K47 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 3.26Å; L45-S48 PolarHBondContact O-N 2.85Å; L45-A49 VanDerWaalsContact O-CB 3.28Å; L45-A49 WeakPolarHBondContact O-CB 3.33Å; L45-A49 PolarHBondContact O-N 2.86Å; L45-C70 HydrophobicContact CD2-CB 4.1Å; L45-K124 HydrophobicContact CD1-CB 3.88Å; L45-H143 HydrophobicContact CB-CB 4.35Å; L45-H143 HydrophobicContact CD2-CB 4.24Å; L45-L145 HydrophobicContact CD1-CB 3.74Å; L45-L145 HydrophobicContact CD2-CB 4.33Å
46M97.7Very high97Very high11 Ų1161.1 Ų61.15%0.05428%0.284CS..Hα-helixtrans-58.5-47.4174.2-66167.666.600111F17 N20 S42 Q50F17-M46 HydrophobicContact CD2-CE 4.25Å; N20-M46 HydrophobicContact CB-CE 3.99Å; N20-M46 WeakPolarHBondContact OD1-CG 3.26Å; S42-M46 VanDerWaalsContact O-CG 3.31Å; S42-M46 WeakPolarHBondContact O-CG 3.34Å; S42-M46 PolarHBondContact O-N 2.96Å; M46-Q50 VanDerWaalsContact O-CB 3.31Å; M46-Q50 WeakPolarHBondContact O-CB 3.38Å; M46-Q50 PolarHBondContact O-N 3.32Å
47K95.8Very high96.8Very high137 Ų13762.9 Ų62.960%0.59629%0.291SS*.Hα-helixtrans-62.8-47.1176.5-72.5177.9178.6-175.40111.5H43 Q44 L45 Q50 Y51H43-K47 WeakPolarHBondContact O-CG 3.35Å; H43-K47 PolarHBondContact O-N 3.2Å; H43-K47 VanDerWaalsContact O-N 3.15Å; Q44-K47 PolarHBondContact O-N 2.47Å; L45-K47 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 3.26Å; K47-Q50 PolarHBondContact O-N 3.48Å; K47-Y51 HydrophobicContact CB-CE2 4.39Å; K47-Y51 WeakPolarHBondContact O-CD2 3.37Å; K47-Y51 PolarHBondContact O-N 3.3Å
48S95.8Very high96.6Very high38 Ų3867.1 Ų67.127%0.26630%0.303SS..Hα-helixtrans-59.3-47.6179.1-177.60000112.1Q44 L45 Q50 Y51 H52 H143Q44-S48 WeakPolarHBondContact O-CB 3.47Å; Q44-S48 PolarHBondContact O-N 2.93Å; L45-S48 PolarHBondContact O-N 2.85Å; S48-Q50 VanDerWaalsContact C-N 3.33Å; S48-Q50 PolarHBondContact O-N 2.86Å; S48-Y51 PolarHBondContact O-N 2.88Å; S48-H52 WeakPolarHBondContact O-CB 3.31Å; S48-H52 PolarHBondContact O-N 2.83Å; S48-H143 WeakPolarHBondContact CB-ND1 3.5Å; S48-H143 PolarHBondContact OG-CE1 3.48Å; S48-H143 PolarHBondContact OG-ND1 3.49Å
49A97.5Very high96.3Very high0 Ų063.1 Ų63.10%029%0.287CS..Hα-helixtrans-65.4-36.9177.600000111.8L45 H52 S53 G126 V141 H143L45-A49 VanDerWaalsContact O-CB 3.28Å; L45-A49 WeakPolarHBondContact O-CB 3.33Å; L45-A49 PolarHBondContact O-N 2.86Å; A49-H52 PolarHBondContact O-N 2.92Å; A49-S53 PolarHBondContact O-N 3.39Å; A49-G126 WeakPolarHBondContact CB-O 3.18Å; A49-V141 HydrophobicContact CB-CB 4.3Å; A49-V141 HydrophobicContact CB-CG1 3.99Å; A49-H143 HydrophobicContact CB-CB 4.3Å; A49-H143 PolarHBondContact N-ND1 2.98Å
50Q97.3Very high95.9Very high30 Ų3069.8 Ų69.814%0.1431%0.312CS..Hα-helixtrans-62.9-50.1174.8-174.457.338.700111.4L16 M46 K47 S48 H52 S53 E54 F129 T130L16-Q50 HydrophobicContact CD2-CB 4.14Å; L16-Q50 HydrophobicContact CD2-CG 4.14Å; M46-Q50 VanDerWaalsContact O-CB 3.31Å; M46-Q50 WeakPolarHBondContact O-CB 3.38Å; M46-Q50 PolarHBondContact O-N 3.32Å; K47-Q50 PolarHBondContact O-N 3.48Å; S48-Q50 VanDerWaalsContact C-N 3.33Å; S48-Q50 PolarHBondContact O-N 2.86Å; Q50-H52 VanDerWaalsContact C-N 3.25Å; Q50-H52 PolarHBondContact O-N 2.87Å; Q50-S53 PolarHBondContact O-N 2.82Å; Q50-S53 VanDerWaalsContact O-N 3.11Å; Q50-S53 PolarHBondContact O-OG 2.97Å; Q50-E54 PolarHBondContact NE2-OE1 3.41Å; Q50-E54 WeakPolarHBondContact O-CG 3.45Å; Q50-E54 PolarHBondContact O-N 2.92Å; Q50-F129 PolarHBondContact NE2-O 3.19Å; Q50-F129 PolarHBondContact OE1-O 3.19Å; Q50-F129 VanDerWaalsContact OE1-O 3.13Å; Q50-T130 PolarHBondContact NE2-OG1 2.87Å
51Y95.5Very high95.4Very high162 Ų16267.3 Ų67.364%0.63530%0.303SS*.Hα-helixtrans-57.3-39.8174.4-74.5-55.1000112.4K47 S48 E54 Y55K47-Y51 HydrophobicContact CB-CE2 4.39Å; K47-Y51 WeakPolarHBondContact O-CD2 3.37Å; K47-Y51 PolarHBondContact O-N 3.3Å; S48-Y51 PolarHBondContact O-N 2.88Å; Y51-E54 PolarHBondContact O-N 2.89Å; Y51-Y55 PolarHBondContact O-N 3.04Å
52H96.5Very high95Very high1 Ų166.4 Ų66.41%0.00530%0.298CS..Hα-helixtrans-63.7-46176.1-170.5-172.1000111.2S48 A49 Q50 E54 Y55 L56 Q63 I65 Q72 M74 V141 H143S48-H52 WeakPolarHBondContact O-CB 3.31Å; S48-H52 PolarHBondContact O-N 2.83Å; A49-H52 PolarHBondContact O-N 2.92Å; Q50-H52 VanDerWaalsContact C-N 3.25Å; Q50-H52 PolarHBondContact O-N 2.87Å; H52-E54 VanDerWaalsContact C-N 3.28Å; H52-E54 PolarHBondContact O-N 3.32Å; H52-Y55 WeakPolarHBondContact O-CA 3.5Å; H52-Y55 WeakPolarHBondContact O-CB 3.4Å; H52-Y55 PolarHBondContact O-N 3.02Å; H52-L56 WeakPolarHBondContact O-CG 3.5Å; H52-L56 PolarHBondContact O-N 3.04Å; H52-Q63 PolarHBondContact NE2-O 3.47Å; H52-I65 HydrophobicContact CB-CD1 3.89Å; H52-I65 WeakPolarHBondContact CD2-CD1 3.4Å; H52-I65 VanDerWaalsContact CG-CD1 3.48Å; H52-Q72 PolarHBondContact CE1-OE1 3.47Å; H52-M74 PolarHBondContact CE1-SD 3.07Å; H52-V141 HydrophobicContact CB-CG1 4.07Å; H52-V141 HydrophobicContact CB-CG2 4.25Å; H52-V141 WeakPolarHBondContact ND1-CG1 3.47Å; H52-H143 AromaticContact ND1-CE1 3.92Å; H52-H143 AromaticContact ND1-NE2 3.28Å; H52-H143 PolarHBondContact ND1-NE2 2.98Å
53S96.2Very high94.7Very high0 Ų068.8 Ų68.80%031%0.307CS..Hα-helixtrans-60.9-35.8177.474.70000113.2A49 Q50 L56 Q57 F129 T130A49-S53 PolarHBondContact O-N 3.39Å; Q50-S53 PolarHBondContact O-N 2.82Å; Q50-S53 VanDerWaalsContact O-N 3.11Å; Q50-S53 PolarHBondContact O-OG 2.97Å; S53-L56 PolarHBondContact O-N 3Å; S53-Q57 PolarHBondContact O-N 3.16Å; S53-F129 PolarHBondContact OG-N 2.88Å; S53-F129 PolarHBondContact OG-O 2.96Å; S53-T130 PolarHBondContact OG-N 3.01Å; S53-T130 PolarHBondContact OG-OG1 3.08Å
54E95.6Very high94.3Very high68 Ų6868.3 Ų68.332%0.31831%0.305SS..Hα-helixtrans-68.5-35.9174.4-68169.1-16800111.6Q50 Y51 H52 Q57 K58 T130Q50-E54 PolarHBondContact NE2-OE1 3.41Å; Q50-E54 WeakPolarHBondContact O-CG 3.45Å; Q50-E54 PolarHBondContact O-N 2.92Å; Y51-E54 PolarHBondContact O-N 2.89Å; H52-E54 VanDerWaalsContact C-N 3.28Å; H52-E54 PolarHBondContact O-N 3.32Å; E54-Q57 WeakPolarHBondContact O-CB 3.26Å; E54-K58 WeakPolarHBondContact O-CG 3.38Å; E54-K58 PolarHBondContact O-N 3.07Å; E54-K58 VanDerWaalsContact O-N 3.16Å; E54-T130 HydrophobicContact CG-CG2 4.35Å; E54-T130 VanDerWaalsContact CG-OG1 3.29Å; E54-T130 WeakPolarHBondContact CG-OG1 3.28Å; E54-T130 PolarHBondContact N-OG1 3.32Å
55Y94.7Very high93.9Very high81 Ų8163.7 Ų63.732%0.31829%0.285SS..Hα-helixtrans-64.3-47.1172.3174.7-100000111.4Y51 H52 Q57 K58 Q59 Q63Y51-Y55 PolarHBondContact O-N 3.04Å; H52-Y55 WeakPolarHBondContact O-CA 3.5Å; H52-Y55 WeakPolarHBondContact O-CB 3.4Å; H52-Y55 PolarHBondContact O-N 3.02Å; Y55-Q57 VanDerWaalsContact C-N 3.28Å; Y55-Q57 PolarHBondContact O-N 3.15Å; Y55-K58 WeakPolarHBondContact O-CB 3.4Å; Y55-K58 PolarHBondContact O-N 3.1Å; Y55-K58 VanDerWaalsContact O-N 3.09Å; Y55-Q59 HydrophobicContact CD1-CG 4.18Å; Y55-Q59 HydrophobicContact CD2-CG 4.26Å; Y55-Q59 HydrophobicContact CE1-CG 3.69Å; Y55-Q59 HydrophobicContact CE2-CG 3.79Å; Y55-Q59 HydrophobicContact CG-CG 4.44Å; Y55-Q59 VanDerWaalsContact CZ-CG 3.48Å; Y55-Q59 WeakPolarHBondContact O-CG 3.34Å; Y55-Q59 PolarHBondContact O-N 2.95Å; Y55-Q63 HydrophobicContact CE1-CG 4.49Å; Y55-Q63 PolarHBondContact OH-NE2 2.92Å
56L94.5Very high93.3Very high0 Ų066 Ų660%031%0.31CS..Hα-helixtrans-58.4-41.1176.3-61.7-177.6000111.8H52 S53 K58 Q59 R60 Q61 L62 Q63 M74 F139 V141H52-L56 WeakPolarHBondContact O-CG 3.5Å; H52-L56 PolarHBondContact O-N 3.04Å; S53-L56 PolarHBondContact O-N 3Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.42Å; L56-Q59 PolarHBondContact O-N 3.34Å; L56-R60 WeakPolarHBondContact O-CA 3.25Å; L56-R60 PolarHBondContact O-N 3.05Å; L56-Q61 WeakPolarHBondContact CD2-O 3.42Å; L56-L62 HydrophobicContact CD1-CD2 3.9Å; L56-Q63 HydrophobicContact CD2-CB 4.29Å; L56-Q63 VanDerWaalsContact CD2-N 3.31Å; L56-Q63 WeakPolarHBondContact CD2-O 3.5Å; L56-M74 HydrophobicContact CD1-CB 4.4Å; L56-M74 HydrophobicContact CD1-CG 4.26Å; L56-M74 HydrophobicContact CD1-SD 4.05Å; L56-M74 HydrophobicContact CD2-SD 4.15Å; L56-F139 HydrophobicContact CB-CB 4.24Å; L56-F139 HydrophobicContact CB-CD1 3.6Å; L56-F139 HydrophobicContact CB-CE1 4.11Å; L56-F139 HydrophobicContact CB-CG 3.96Å; L56-F139 HydrophobicContact CD1-CD1 4.32Å; L56-V141 HydrophobicContact CD1-CG2 3.58Å
57Q94.7Very high92.6Very high45 Ų4573.9 Ų73.921%0.2135%0.353CS..Hα-helixtrans-57-46.5174.2-171.9-141.532.100112S53 E54 Y55 R60 T130 K131 F139S53-Q57 PolarHBondContact O-N 3.16Å; E54-Q57 WeakPolarHBondContact O-CB 3.26Å; Y55-Q57 VanDerWaalsContact C-N 3.28Å; Y55-Q57 PolarHBondContact O-N 3.15Å; Q57-R60 WeakPolarHBondContact O-CG 3.28Å; Q57-R60 PolarHBondContact O-N 2.95Å; Q57-T130 HydrophobicContact CB-CG2 3.6Å; Q57-T130 VanDerWaalsContact CD-CG2 3.4Å; Q57-T130 HydrophobicContact CG-CG2 3.65Å; Q57-K131 PolarHBondContact NE2-O 2.93Å; Q57-F139 HydrophobicContact CB-CD2 3.97Å; Q57-F139 HydrophobicContact CB-CE2 4.14Å; Q57-F139 HydrophobicContact CG-CD2 4.41Å; Q57-F139 HydrophobicContact CG-CE2 4.37Å
58K93.5Very high92.2Very high152 Ų15269.7 Ų69.766%0.66134%0.337SS*.Hα-helixtrans-66.4-39.8178.5-70.3173.5-175.5175.90112.8E54 Y55 L56 R60E54-K58 WeakPolarHBondContact O-CG 3.38Å; E54-K58 PolarHBondContact O-N 3.07Å; E54-K58 VanDerWaalsContact O-N 3.16Å; Y55-K58 WeakPolarHBondContact O-CB 3.4Å; Y55-K58 PolarHBondContact O-N 3.1Å; Y55-K58 VanDerWaalsContact O-N 3.09Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.42Å; K58-R60 VanDerWaalsContact C-N 3.28Å
59Q92.6Very high92Very high84 Ų8474 Ų7439%0.39336%0.361SS..Hα-helixtrans-76.1-17.7177-59.1-47.6-49.900112.9Y55 L56 Q61Y55-Q59 HydrophobicContact CD1-CG 4.18Å; Y55-Q59 HydrophobicContact CD2-CG 4.26Å; Y55-Q59 HydrophobicContact CE1-CG 3.69Å; Y55-Q59 HydrophobicContact CE2-CG 3.79Å; Y55-Q59 HydrophobicContact CG-CG 4.44Å; Y55-Q59 VanDerWaalsContact CZ-CG 3.48Å; Y55-Q59 WeakPolarHBondContact O-CG 3.34Å; Y55-Q59 PolarHBondContact O-N 2.95Å; L56-Q59 PolarHBondContact O-N 3.34Å; Q59-Q61 HydrophobicContact CB-CG 3.97Å; Q59-Q61 PolarHBondContact O-N 3.01Å
60R89.4Confident91.9Very high143 Ų14374.6 Ų74.654%0.5437%0.365SS..THydrogen-bonded Turntrans58.223.9-176.1-57.4-178.5172.5-168.1-1.9114L56 Q57 K58 D133 V134L56-R60 WeakPolarHBondContact O-CA 3.25Å; L56-R60 PolarHBondContact O-N 3.05Å; Q57-R60 WeakPolarHBondContact O-CG 3.28Å; Q57-R60 PolarHBondContact O-N 2.95Å; K58-R60 VanDerWaalsContact C-N 3.28Å; R60-D133 IonicContact CZ-OD2 3.67Å; R60-D133 IonicContact NE-OD1 2.58Å; R60-D133 IonicContact NH2-OD1 2.87Å; R60-D133 IonicContact NH2-OD2 3.86Å; R60-D133 PolarHBondContact NH2-OD2 3.26Å; R60-V134 VanDerWaalsContact NH2-CG2 3.29Å
61Q89Confident91.9Very high106 Ų10673.7 Ų73.750%0.49536%0.364SS..SBendtrans-148.7157.8179.665.3-178.429.600110.4L56 Q59L56-Q61 WeakPolarHBondContact CD2-O 3.42Å; Q59-Q61 HydrophobicContact CB-CG 3.97Å; Q59-Q61 PolarHBondContact O-N 3.01Å
62L89.6Confident92Very high23 Ų2367.4 Ų67.412%0.1234%0.34CS..  trans-76.5124.2169.1-62.2-177.2000108.9L56 M74 L76 F139 I197L56-L62 HydrophobicContact CD1-CD2 3.9Å; L62-M74 HydrophobicContact CD2-CB 4.14Å; L62-L76 HydrophobicContact CD1-CB 4.2Å; L62-L76 HydrophobicContact CD2-CB 4.16Å; L62-L76 HydrophobicContact CG-CB 4.26Å; L62-F139 HydrophobicContact CD2-CD1 3.98Å; L62-F139 HydrophobicContact CD2-CE1 4.37Å; L62-I197 HydrophobicContact CB-CD1 3.97Å; L62-I197 HydrophobicContact CB-CG1 4.46Å; L62-I197 HydrophobicContact CD1-CB 4.43Å; L62-I197 HydrophobicContact CD1-CD1 4.11Å; L62-I197 HydrophobicContact CD1-CG1 3.86Å; L62-I197 HydrophobicContact CG-CD1 4.33Å
63Q91.4Very high92Very high66 Ų6667.4 Ų67.431%0.30834%0.34SS..  trans-146.5122.8-177.7179.8172.1-10.200109.3H52 Y55 L56H52-Q63 PolarHBondContact NE2-O 3.47Å; Y55-Q63 HydrophobicContact CE1-CG 4.49Å; Y55-Q63 PolarHBondContact OH-NE2 2.92Å; L56-Q63 HydrophobicContact CD2-CB 4.29Å; L56-Q63 VanDerWaalsContact CD2-N 3.31Å; L56-Q63 WeakPolarHBondContact CD2-O 3.5Å
64Q87.8Confident92Very high126 Ų12667.6 Ų67.659%0.58934%0.341SS*.PPolyproline II helixtrans-65.4143176.3-68.1-17412.800110.8M74Q64-M74 HydrophobicContact CB-CE 4.3Å; Q64-M74 HydrophobicContact CG-CE 3.43Å; Q64-M74 VanDerWaalsContact CG-CE 3.43Å
65I89.2Confident92.1Very high55 Ų5564.3 Ų64.328%0.28233%0.326SS..PPolyproline II helixtrans-87.4124.7165.6-63.9172.4000107.7H52 L68 Q72H52-I65 HydrophobicContact CB-CD1 3.89Å; H52-I65 WeakPolarHBondContact CD2-CD1 3.4Å; H52-I65 VanDerWaalsContact CG-CD1 3.48Å; I65-L68 HydrophobicContact CB-CD1 3.78Å; I65-L68 HydrophobicContact CB-CG 3.98Å; I65-L68 HydrophobicContact CG2-CD1 4.12Å; I65-L68 HydrophobicContact CG2-CD2 3.95Å; I65-L68 HydrophobicContact CG2-CG 3.76Å; I65-Q72 VanDerWaalsContact N-OE1 3.16Å; I65-Q72 PolarHBondContact O-NE2 3.41Å
66G85.3Confident92.1Very high57 Ų5761.9 Ų61.959%0.58832%0.318SS*.THydrogen-bonded Turntrans-71.6162.7173.500000112.7L68G66-L68 PolarHBondContact O-N 2.91Å
67D83.7Confident92.2Very high177 Ų17761.9 Ų61.995%0.94732%0.318SS*.THydrogen-bonded Turntrans56.919.3175.5-53.9-41000115.9V69D67-V69 PolarHBondContact O-N 3.26Å
68L86.6Confident92.1Very high50 Ų5062.8 Ų62.826%0.26232%0.324SS..  trans-69.6128.2171.3-73.5179.9000110.4I65 G66 C70I65-L68 HydrophobicContact CB-CD1 3.78Å; I65-L68 HydrophobicContact CB-CG 3.98Å; I65-L68 HydrophobicContact CG2-CD1 4.12Å; I65-L68 HydrophobicContact CG2-CD2 3.95Å; I65-L68 HydrophobicContact CG2-CG 3.76Å; G66-L68 PolarHBondContact O-N 2.91Å; L68-C70 WeakPolarHBondContact CB-O 3.44Å; L68-C70 PolarHBondContact O-N 3.36Å
69V91.2Very high92Very high128 Ų12857 Ų5778%0.77631%0.308SS*.SBendtrans-68.2-11.3171.2-178.10000112.1D67 L145D67-V69 PolarHBondContact O-N 3.26Å; V69-L145 HydrophobicContact CG1-CD1 4.42Å
70C96.1Very high91.8Very high13 Ų1354 Ų549%0.08829%0.293CS..SBendtrans-114.2152.6-178.866.10000110.8L45 L68 Y144 L145L45-C70 HydrophobicContact CD2-CB 4.1Å; L68-C70 WeakPolarHBondContact CB-O 3.44Å; L68-C70 PolarHBondContact O-N 3.36Å; C70-Y144 CarbonylContact C-O 3.6Å; C70-Y144 VanDerWaalsContact CA-O 3.27Å; C70-Y144 WeakPolarHBondContact CA-O 3.45Å; C70-Y144 WeakPolarHBondContact CB-O 3.26Å; C70-L145 HydrophobicContact CB-CD1 4.23Å
71G97Very high91.8Very high10 Ų1054 Ų5410%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-73.1158.3172.100000111.4H143 Y144G71-H143 CarbonylContact O-C 3.53Å; G71-H143 VanDerWaalsContact O-CA 3.27Å; G71-H143 WeakPolarHBondContact O-CA 3.39Å; G71-Y144 PolarHBondContact N-O 3.47Å; G71-Y144 PolarHBondContact O-N 2.89Å
72Q96.4Very high91.9Very high31 Ų3152.1 Ų52.115%0.14529%0.293CS..EExtended strand (participates in β ladder)trans-136.2134.1-175.466.5-169.4-48.400112.6H52 I65 G142H52-Q72 PolarHBondContact CE1-OE1 3.47Å; I65-Q72 VanDerWaalsContact N-OE1 3.16Å; I65-Q72 PolarHBondContact O-NE2 3.41Å; Q72-G142 CarbonylContact C-O 3.57Å; Q72-G142 WeakPolarHBondContact CA-O 3.27Å
73N97.5Very high92.1Very high0 Ų053.2 Ų53.20%030%0.296CS..EExtended strand (participates in β ladder)trans-119.1144.8163.7-6813.3000109.1W94 Y113 Q116 V141 G142 Y144N73-W94 HydrophobicContact CB-CD2 3.63Å; N73-W94 VanDerWaalsContact CB-CE2 3.48Å; N73-W94 HydrophobicContact CB-CE3 3.85Å; N73-W94 HydrophobicContact CB-CG 4.22Å; N73-W94 HydrophobicContact CB-CH2 3.86Å; N73-W94 HydrophobicContact CB-CZ2 3.62Å; N73-W94 HydrophobicContact CB-CZ3 3.96Å; N73-Y113 HydrophobicContact CB-CD1 3.78Å; N73-Y113 HydrophobicContact CB-CE1 4.26Å; N73-Y113 HydrophobicContact CB-CG 4.48Å; N73-Y113 PolarHBondContact ND2-O 3.32Å; N73-Y113 WeakPolarHBondContact OD1-CD1 3.41Å; N73-Q116 WeakPolarHBondContact OD1-CB 3.16Å; N73-Q116 WeakPolarHBondContact OD1-CG 3.38Å; N73-V141 CarbonylContact O-C 3.54Å; N73-V141 WeakPolarHBondContact O-CA 3.32Å; N73-G142 PolarHBondContact N-O 3.39Å; N73-G142 PolarHBondContact O-N 3.34Å; N73-Y144 HydrophobicContact CB-CE2 4Å
74M97.1Very high92.3Very high4 Ų452.8 Ų52.82%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-136.5146.7-179.5-56.2176.1-67.600110.7H52 L56 L62 Q64 W94 V140 V141H52-M74 PolarHBondContact CE1-SD 3.07Å; L56-M74 HydrophobicContact CD1-CB 4.4Å; L56-M74 HydrophobicContact CD1-CG 4.26Å; L56-M74 HydrophobicContact CD1-SD 4.05Å; L56-M74 HydrophobicContact CD2-SD 4.15Å; L62-M74 HydrophobicContact CD2-CB 4.14Å; Q64-M74 HydrophobicContact CB-CE 4.3Å; Q64-M74 HydrophobicContact CG-CE 3.43Å; Q64-M74 VanDerWaalsContact CG-CE 3.43Å; M74-W94 PolarHBondContact O-NE1 3.43Å; M74-V140 CarbonylContact C-O 3.56Å; M74-V140 WeakPolarHBondContact CA-O 3.37Å; M74-V141 HydrophobicContact CG-CG2 4.36Å
75A96.9Very high92.7Very high0 Ų049.3 Ų49.30%028%0.281CS..EExtended strand (participates in β ladder)trans-146.1150.6174.700000110.7I77 A90 W94 V140 V195 I196A75-I77 HydrophobicContact CB-CD1 4.13Å; A75-A90 HydrophobicContact CB-CB 3.69Å; A75-W94 HydrophobicContact CB-CZ2 4.11Å; A75-V140 HydrophobicContact CB-CB 4.45Å; A75-V140 PolarHBondContact N-O 3.13Å; A75-V140 PolarHBondContact O-N 2.83Å; A75-V195 WeakPolarHBondContact CA-O 3.33Å; A75-I196 HydrophobicContact CB-CG2 3.86Å
76L95.1Very high93Very high29 Ų2946.7 Ų46.715%0.15227%0.268CS..EExtended strand (participates in β ladder)trans-116.7115.4171.1-175.3160.6000107.6L62 I78 T137 F139 V195L62-L76 HydrophobicContact CD1-CB 4.2Å; L62-L76 HydrophobicContact CD2-CB 4.16Å; L62-L76 HydrophobicContact CG-CB 4.26Å; L76-I78 HydrophobicContact CD2-CD1 3.76Å; L76-I78 HydrophobicContact CD2-CG1 3.19Å; L76-T137 HydrophobicContact CD1-CG2 4.06Å; L76-T137 HydrophobicContact CD2-CG2 3.37Å; L76-T137 HydrophobicContact CG-CG2 3.42Å; L76-T137 VanDerWaalsContact CG-CG2 3.42Å; L76-F139 HydrophobicContact CD1-CD1 4.5Å; L76-F139 HydrophobicContact CD1-CE1 3.79Å; L76-F139 HydrophobicContact CD1-CZ 4.2Å; L76-F139 HydrophobicContact CG-CE1 4.29Å; L76-V195 HydrophobicContact CB-CB 4.33Å; L76-V195 PolarHBondContact N-O 2.84Å; L76-V195 PolarHBondContact O-N 2.88Å
77I95Very high93.6Very high0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-104109.3-178.7-46.8-57.1000109.3A75 Q80 A86 N89 A90 T137 I138 V140 C194A75-I77 HydrophobicContact CB-CD1 4.13Å; I77-Q80 HydrophobicContact CG2-CB 3.57Å; I77-Q80 HydrophobicContact CG2-CG 4.31Å; I77-A86 HydrophobicContact CB-CB 4.09Å; I77-A86 HydrophobicContact CG1-CB 3.98Å; I77-A86 HydrophobicContact CG2-CB 4.13Å; I77-N89 HydrophobicContact CD1-CB 4.14Å; I77-N89 HydrophobicContact CG2-CB 4.48Å; I77-A90 HydrophobicContact CD1-CB 4.21Å; I77-T137 CarbonylContact O-C 3.53Å; I77-T137 VanDerWaalsContact O-CA 3.29Å; I77-T137 WeakPolarHBondContact O-CA 3.25Å; I77-I138 PolarHBondContact N-O 3.04Å; I77-I138 PolarHBondContact O-N 2.9Å; I77-V140 HydrophobicContact CG1-CG2 4.21Å; I77-C194 HydrophobicContact CD1-CB 3.87Å; I77-C194 WeakPolarHBondContact CD1-SG 3.5Å
78I92.8Very high94.3Very high64 Ų6438.4 Ų38.433%0.32821%0.21SC..EExtended strand (participates in β ladder)trans-91.4140.2179.5-51.3176.9000109.2L76 Q80 N136 S192 Q193 V195L76-I78 HydrophobicContact CD2-CD1 3.76Å; L76-I78 HydrophobicContact CD2-CG1 3.19Å; I78-Q80 VanDerWaalsContact C-N 3.29Å; I78-Q80 PolarHBondContact O-N 3.05Å; I78-N136 CarbonylContact C-O 3.57Å; I78-S192 CarbonylContact O-C 3.54Å; I78-S192 WeakPolarHBondContact O-CA 3.23Å; I78-Q193 HydrophobicContact CB-CB 4.34Å; I78-Q193 PolarHBondContact N-O 3.34Å; I78-Q193 PolarHBondContact O-N 2.92Å; I78-Q193 VanDerWaalsContact O-N 3.08Å; I78-V195 HydrophobicContact CD1-CG2 4.25Å
79G91.7Very high94.7Very high32 Ų3238.4 Ų38.433%0.3321%0.21SC..SBendtrans83.9-2.8174.300000114.5N136G79-N136 WeakPolarHBondContact CA-ND2 3.27Å; G79-N136 PolarHBondContact N-O 3.43Å; G79-N136 PolarHBondContact O-ND2 2.79Å
80Q89.9Confident95Very high19 Ų1932.3 Ų32.39%0.08917%0.173CC..  trans-101.5128.1-177-172.349.5-109.400112.2I77 I78 N82 V85 A86 N136 I138 S192I77-Q80 HydrophobicContact CG2-CB 3.57Å; I77-Q80 HydrophobicContact CG2-CG 4.31Å; I78-Q80 VanDerWaalsContact C-N 3.29Å; I78-Q80 PolarHBondContact O-N 3.05Å; Q80-N82 WeakPolarHBondContact CG-O 3.48Å; Q80-V85 HydrophobicContact CG-CB 4.18Å; Q80-V85 HydrophobicContact CG-CG1 4.28Å; Q80-A86 HydrophobicContact CB-CB 4.39Å; Q80-A86 HydrophobicContact CG-CB 3.86Å; Q80-N136 PolarHBondContact O-OD1 3.02Å; Q80-I138 VanDerWaalsContact O-CD1 3.26Å; Q80-I138 WeakPolarHBondContact O-CD1 3.35Å; Q80-S192 PolarHBondContact NE2-OG 3.47Å
81Q87.8Confident95.2Very high144 Ų14431.8 Ų31.867%0.67317%0.169SC*.  trans-99.2-29.1176.6-64.8-174.216.100112.8Y83 N136Q81-Y83 PolarHBondContact O-N 3.09Å; Q81-N136 WeakPolarHBondContact CG-OD1 3.48Å
82N92.5Very high95.2Very high67 Ų6734.6 Ų34.636%0.35818%0.18SC..  trans-85112.7179.2-175.3-29.3000109.7Q80 Q84 V85 A86Q80-N82 WeakPolarHBondContact CG-O 3.48Å; N82-Q84 PolarHBondContact O-N 3.3Å; N82-Q84 WeakPolarHBondContact OD1-CA 3.19Å; N82-Q84 VanDerWaalsContact OD1-CB 3.25Å; N82-Q84 WeakPolarHBondContact OD1-CB 3.42Å; N82-Q84 PolarHBondContact OD1-N 2.86Å; N82-V85 HydrophobicContact CB-CB 4.22Å; N82-V85 HydrophobicContact CB-CG2 3.97Å; N82-V85 PolarHBondContact O-N 2.91Å; N82-V85 PolarHBondContact OD1-N 2.87Å; N82-A86 PolarHBondContact O-N 3.47Å
83Y93.9Very high95.2Very high45 Ų4534 Ų3418%0.17618%0.18CC..Hα-helixtrans-60.5-31.3-179.960.9-99.3000112.8E15 F19 Q81 A86 G87 F129E15-Y83 HydrophobicContact CB-CE1 4.42Å; E15-Y83 HydrophobicContact CB-CE2 4.47Å; E15-Y83 HydrophobicContact CG-CE1 4.32Å; F19-Y83 HydrophobicContact CB-CD2 4.04Å; F19-Y83 HydrophobicContact CB-CE2 4.19Å; F19-Y83 AromaticContact CD2-CD2 3.89Å; F19-Y83 HydrophobicContact CD2-CD2 3.89Å; F19-Y83 WeakPolarHBondContact CD2-O 3.42Å; F19-Y83 WeakPolarHBondContact CE2-O 3.27Å; F19-Y83 HydrophobicContact CG-CD2 4.38Å; Q81-Y83 PolarHBondContact O-N 3.09Å; Y83-A86 PolarHBondContact O-N 3.21Å; Y83-G87 PolarHBondContact O-N 3.38Å; Y83-F129 HydrophobicContact CD1-CE2 4.09Å; Y83-F129 HydrophobicContact CD1-CZ 4.11Å; Y83-F129 HydrophobicContact CD2-CE1 4.02Å; Y83-F129 HydrophobicContact CD2-CE2 4.3Å; Y83-F129 AromaticContact CD2-CZ 3.84Å; Y83-F129 HydrophobicContact CD2-CZ 3.84Å; Y83-F129 HydrophobicContact CE2-CZ 4.39Å; Y83-F129 HydrophobicContact CG-CD2 4.32Å; Y83-F129 HydrophobicContact CG-CE1 4.28Å; Y83-F129 AromaticContact CG-CE2 3.73Å; Y83-F129 HydrophobicContact CG-CE2 3.73Å; Y83-F129 AromaticContact CG-CZ 3.7Å; Y83-F129 HydrophobicContact CG-CZ 3.7Å
84Q95.2Very high95.2Very high58 Ų5834 Ų3427%0.27118%0.18SC..Hα-helixtrans-66.1-44.9178-56.1175.33.800110.8N18 I22 N82 A86 G87 L88N18-Q84 PolarHBondContact ND2-NE2 3.16Å; I22-Q84 HydrophobicContact CD1-CB 3.83Å; I22-Q84 HydrophobicContact CD1-CG 3.67Å; N82-Q84 PolarHBondContact O-N 3.3Å; N82-Q84 WeakPolarHBondContact OD1-CA 3.19Å; N82-Q84 VanDerWaalsContact OD1-CB 3.25Å; N82-Q84 WeakPolarHBondContact OD1-CB 3.42Å; N82-Q84 PolarHBondContact OD1-N 2.86Å; Q84-A86 VanDerWaalsContact C-N 3.34Å; Q84-G87 PolarHBondContact O-N 3.17Å; Q84-L88 PolarHBondContact O-N 3.08Å; Q84-L88 VanDerWaalsContact O-N 3.09Å
85V95.5Very high95.2Very high52 Ų5234.7 Ų34.732%0.31518%0.182SC..Hα-helixtrans-66-39.6175.8-179.40000110.3Q80 N82 G87 L88 N89Q80-V85 HydrophobicContact CG-CB 4.18Å; Q80-V85 HydrophobicContact CG-CG1 4.28Å; N82-V85 HydrophobicContact CB-CB 4.22Å; N82-V85 HydrophobicContact CB-CG2 3.97Å; N82-V85 PolarHBondContact O-N 2.91Å; N82-V85 PolarHBondContact OD1-N 2.87Å; V85-G87 VanDerWaalsContact C-N 3.33Å; V85-G87 PolarHBondContact O-N 2.88Å; V85-L88 PolarHBondContact O-N 2.82Å; V85-N89 WeakPolarHBondContact O-CB 3.4Å; V85-N89 PolarHBondContact O-N 3.45Å; V85-N89 PolarHBondContact O-OD1 2.9Å
86A96Very high95.2Very high0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-60.6-41.1174.700000112.4I77 Q80 N82 Y83 Q84 N89 A90 I138 V140I77-A86 HydrophobicContact CB-CB 4.09Å; I77-A86 HydrophobicContact CG1-CB 3.98Å; I77-A86 HydrophobicContact CG2-CB 4.13Å; Q80-A86 HydrophobicContact CB-CB 4.39Å; Q80-A86 HydrophobicContact CG-CB 3.86Å; N82-A86 PolarHBondContact O-N 3.47Å; Y83-A86 PolarHBondContact O-N 3.21Å; Q84-A86 VanDerWaalsContact C-N 3.34Å; A86-N89 PolarHBondContact O-N 3.47Å; A86-A90 WeakPolarHBondContact O-CB 3.24Å; A86-A90 PolarHBondContact O-N 2.84Å; A86-I138 HydrophobicContact CB-CB 4.11Å; A86-I138 HydrophobicContact CB-CD1 3.83Å; A86-I138 HydrophobicContact CB-CG2 4.07Å; A86-V140 HydrophobicContact CB-CG2 4.43Å
87G97.5Very high95.2Very high0 Ų040.3 Ų40.30%021%0.206CC..Hα-helixtrans-61.2-47.5174.900000112.7F19 Y83 Q84 V85 N89 A90 I91F19-G87 VanDerWaalsContact CE2-CA 3.4Å; Y83-G87 PolarHBondContact O-N 3.38Å; Q84-G87 PolarHBondContact O-N 3.17Å; V85-G87 VanDerWaalsContact C-N 3.33Å; V85-G87 PolarHBondContact O-N 2.88Å; G87-N89 VanDerWaalsContact C-N 3.35Å; G87-N89 PolarHBondContact O-N 3.13Å; G87-A90 PolarHBondContact O-N 2.88Å; G87-I91 WeakPolarHBondContact O-CG1 3.37Å; G87-I91 PolarHBondContact O-N 2.84Å
88L97.6Very high95.2Very high61 Ų6141.6 Ų41.632%0.31922%0.215SC..Hα-helixtrans-60.5-44.2175.3-68.3175.1000111.6I22 E26 Q84 V85 A90 I91 Q92I22-L88 HydrophobicContact CG2-CD1 4.11Å; I22-L88 HydrophobicContact CG2-CD2 3.62Å; I22-L88 HydrophobicContact CG2-CG 3.75Å; E26-L88 HydrophobicContact CB-CD2 3.73Å; E26-L88 HydrophobicContact CG-CD2 4.04Å; Q84-L88 PolarHBondContact O-N 3.08Å; Q84-L88 VanDerWaalsContact O-N 3.09Å; V85-L88 PolarHBondContact O-N 2.82Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 2.99Å; L88-I91 PolarHBondContact O-N 3.01Å; L88-Q92 WeakPolarHBondContact O-CG 3.31Å; L88-Q92 PolarHBondContact O-N 3.05Å
89N96.9Very high95.3Very high50 Ų5043.6 Ų43.627%0.26722%0.223SC..Hα-helixtrans-61.7-39177.3-70.5-6.2000112.3I77 V85 A86 G87 A93I77-N89 HydrophobicContact CD1-CB 4.14Å; I77-N89 HydrophobicContact CG2-CB 4.48Å; V85-N89 WeakPolarHBondContact O-CB 3.4Å; V85-N89 PolarHBondContact O-N 3.45Å; V85-N89 PolarHBondContact O-OD1 2.9Å; A86-N89 PolarHBondContact O-N 3.47Å; G87-N89 VanDerWaalsContact C-N 3.35Å; G87-N89 PolarHBondContact O-N 3.13Å; N89-A93 VanDerWaalsContact O-CB 3.28Å; N89-A93 WeakPolarHBondContact O-CB 3.47Å; N89-A93 PolarHBondContact O-N 3.29Å
90A97.8Very high95.2Very high0 Ų049.6 Ų49.60%025%0.248CC..Hα-helixtrans-63.4-46.3175.300000111.5A75 I77 A86 G87 L88 Q92 A93 W94 V140A75-A90 HydrophobicContact CB-CB 3.69Å; I77-A90 HydrophobicContact CD1-CB 4.21Å; A86-A90 WeakPolarHBondContact O-CB 3.24Å; A86-A90 PolarHBondContact O-N 2.84Å; G87-A90 PolarHBondContact O-N 2.88Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 2.99Å; A90-Q92 PolarHBondContact O-N 2.93Å; A90-A93 PolarHBondContact O-N 2.75Å; A90-W94 HydrophobicContact CB-CH2 4.3Å; A90-W94 HydrophobicContact CB-CZ2 4.11Å; A90-W94 VanDerWaalsContact O-CD2 3.28Å; A90-W94 VanDerWaalsContact O-CG 3.22Å; A90-W94 PolarHBondContact O-N 2.98Å; A90-V140 HydrophobicContact CB-CB 3.83Å; A90-V140 HydrophobicContact CB-CG1 3.57Å; A90-V140 HydrophobicContact CB-CG2 4.23Å
91I98.2Very high95.4Very high1 Ų149.5 Ų49.51%0.00525%0.246CC..Hα-helixtrans-60.4-45.2177.7-65.5-71.2000111.1C23 E26 N27 L30 G87 L88 W94 Y95 M117 F127C23-I91 HydrophobicContact CB-CD1 4.49Å; C23-I91 HydrophobicContact CB-CG1 4.38Å; E26-I91 HydrophobicContact CB-CG2 4.17Å; E26-I91 HydrophobicContact CG-CB 4.41Å; E26-I91 HydrophobicContact CG-CG2 3.65Å; N27-I91 HydrophobicContact CB-CD1 4.22Å; L30-I91 HydrophobicContact CD1-CG2 3.61Å; G87-I91 WeakPolarHBondContact O-CG1 3.37Å; G87-I91 PolarHBondContact O-N 2.84Å; L88-I91 PolarHBondContact O-N 3.01Å; I91-W94 HydrophobicContact CD1-CE3 3.85Å; I91-W94 HydrophobicContact CD1-CZ3 3.63Å; I91-W94 HydrophobicContact CG1-CZ3 4.46Å; I91-Y95 WeakPolarHBondContact O-CB 3.44Å; I91-Y95 PolarHBondContact O-N 2.73Å; I91-M117 HydrophobicContact CG2-CE 3.71Å; I91-F127 HydrophobicContact CD1-CE1 3.72Å; I91-F127 HydrophobicContact CD1-CZ 4.01Å
92Q97.3Very high95.8Very high70 Ų7046 Ų4633%0.32723%0.233SC..Hα-helixtrans-64.6-42.5176.4-65.4-51-26.200112.1E26 L88 A90 Y95 K96E26-Q92 VanDerWaalsContact CD-NE2 3.35Å; E26-Q92 PolarHBondContact OE1-NE2 3.32Å; L88-Q92 WeakPolarHBondContact O-CG 3.31Å; L88-Q92 PolarHBondContact O-N 3.05Å; A90-Q92 PolarHBondContact O-N 2.93Å; Q92-Y95 CarbonylContact O-C 3.59Å; Q92-Y95 PolarHBondContact O-N 3.21Å; Q92-K96 WeakPolarHBondContact O-CB 3.15Å; Q92-K96 PolarHBondContact O-N 3.41Å
93A96.6Very high95.8Very high18 Ų1846.4 Ų46.415%0.14923%0.229CC..Hα-helixtrans-63.8-43.6-179.800000112.2N89 A90 Y95 K96 C194 I196N89-A93 VanDerWaalsContact O-CB 3.28Å; N89-A93 WeakPolarHBondContact O-CB 3.47Å; N89-A93 PolarHBondContact O-N 3.29Å; A90-A93 PolarHBondContact O-N 2.75Å; A93-Y95 VanDerWaalsContact C-N 3.34Å; A93-Y95 PolarHBondContact O-N 3Å; A93-K96 WeakPolarHBondContact O-CB 3.39Å; A93-K96 PolarHBondContact O-N 2.82Å; A93-C194 HydrophobicContact CB-CB 4.05Å; A93-C194 WeakPolarHBondContact CB-SG 3.32Å; A93-I196 HydrophobicContact CB-CG2 4.05Å; A93-I196 WeakPolarHBondContact O-CD1 3.5Å
94W98Very high95.7Very high0 Ų051 Ų510%026%0.257CS..Hα-helixtrans-61.1-43.6173.3-63-29000111.6N73 M74 A75 A90 I91 K96 Q97 Y113 F114 M117 F127 V140N73-W94 HydrophobicContact CB-CD2 3.63Å; N73-W94 VanDerWaalsContact CB-CE2 3.48Å; N73-W94 HydrophobicContact CB-CE3 3.85Å; N73-W94 HydrophobicContact CB-CG 4.22Å; N73-W94 HydrophobicContact CB-CH2 3.86Å; N73-W94 HydrophobicContact CB-CZ2 3.62Å; N73-W94 HydrophobicContact CB-CZ3 3.96Å; M74-W94 PolarHBondContact O-NE1 3.43Å; A75-W94 HydrophobicContact CB-CZ2 4.11Å; A90-W94 HydrophobicContact CB-CH2 4.3Å; A90-W94 HydrophobicContact CB-CZ2 4.11Å; A90-W94 VanDerWaalsContact O-CD2 3.28Å; A90-W94 VanDerWaalsContact O-CG 3.22Å; A90-W94 PolarHBondContact O-N 2.98Å; I91-W94 HydrophobicContact CD1-CE3 3.85Å; I91-W94 HydrophobicContact CD1-CZ3 3.63Å; I91-W94 HydrophobicContact CG1-CZ3 4.46Å; W94-K96 VanDerWaalsContact C-N 3.3Å; W94-K96 PolarHBondContact O-N 3.41Å; W94-Q97 WeakPolarHBondContact O-CB 3.38Å; W94-Q97 PolarHBondContact O-N 3.22Å; W94-Y113 AromaticContact CD1-CD2 3.89Å; W94-Y113 AromaticContact CD1-CG 3.81Å; W94-Y113 HydrophobicContact CG-CG 4.43Å; W94-F114 WeakPolarHBondContact O-CB 3.42Å; W94-F114 PolarHBondContact O-N 2.84Å; W94-M117 HydrophobicContact CB-CG 4.35Å; W94-M117 HydrophobicContact CB-SD 3.27Å; W94-M117 WeakPolarHBondContact CB-SD 3.43Å; W94-M117 HydrophobicContact CE3-CG 4.5Å; W94-M117 HydrophobicContact CE3-SD 4.2Å; W94-M117 HydrophobicContact CG-SD 4.33Å; W94-F127 HydrophobicContact CZ3-CD1 4.43Å; W94-F127 HydrophobicContact CZ3-CE1 4.14Å; W94-V140 HydrophobicContact CH2-CG1 4.06Å; W94-V140 HydrophobicContact CZ2-CG1 4.37Å
95Y97.8Very high95.5Very high18 Ų1853.2 Ų53.27%0.07127%0.267CS..Hα-helixtrans-68.6-28.1178.6-173-100000113.3L30 H34 I91 Q92 A93 Q97 S98 F114 M117 I118L30-Y95 HydrophobicContact CB-CD2 3.9Å; L30-Y95 HydrophobicContact CB-CE2 3.92Å; L30-Y95 HydrophobicContact CD1-CD1 4.41Å; L30-Y95 HydrophobicContact CD1-CD2 3.94Å; L30-Y95 HydrophobicContact CD1-CG 3.79Å; L30-Y95 HydrophobicContact CD2-CD1 3.7Å; L30-Y95 HydrophobicContact CD2-CD2 3.93Å; L30-Y95 HydrophobicContact CD2-CE1 3.7Å; L30-Y95 HydrophobicContact CD2-CE2 3.9Å; L30-Y95 HydrophobicContact CD2-CG 3.81Å; L30-Y95 HydrophobicContact CG-CD2 4.15Å; L30-Y95 HydrophobicContact CG-CE2 4.37Å; L30-Y95 HydrophobicContact CG-CG 4.25Å; H34-Y95 AromaticContact CD2-CE2 3.96Å; H34-Y95 AromaticContact NE2-CE2 3.45Å; H34-Y95 WeakPolarHBondContact NE2-CE2 3.15Å; H34-Y95 AromaticContact NE2-CZ 3.61Å; H34-Y95 PolarHBondContact NE2-OH 3.11Å; I91-Y95 WeakPolarHBondContact O-CB 3.44Å; I91-Y95 PolarHBondContact O-N 2.73Å; Q92-Y95 CarbonylContact O-C 3.59Å; Q92-Y95 PolarHBondContact O-N 3.21Å; A93-Y95 VanDerWaalsContact C-N 3.34Å; A93-Y95 PolarHBondContact O-N 3Å; Y95-Q97 PolarHBondContact O-N 3.15Å; Y95-Q97 VanDerWaalsContact O-N 3.09Å; Y95-S98 WeakPolarHBondContact O-CB 3.43Å; Y95-S98 PolarHBondContact O-N 3.36Å; Y95-S98 PolarHBondContact O-OG 3.09Å; Y95-F114 AromaticContact CD2-CD2 3.84Å; Y95-F114 HydrophobicContact CD2-CD2 3.84Å; Y95-F114 AromaticContact CD2-CE2 3.96Å; Y95-F114 HydrophobicContact CD2-CE2 3.96Å; Y95-F114 HydrophobicContact CE2-CD2 4.13Å; Y95-F114 AromaticContact CE2-CE2 3.75Å; Y95-F114 HydrophobicContact CE2-CE2 3.75Å; Y95-M117 HydrophobicContact CD2-CE 4.4Å; Y95-I118 HydrophobicContact CE2-CG2 4.45Å
96K96.4Very high95.2Very high122 Ų12253.8 Ų53.853%0.5327%0.269SS..Hα-helixtrans-58.3-23.4177-166.2176.7-179.6179.90112.7Q92 A93 W94 S98 E99Q92-K96 WeakPolarHBondContact O-CB 3.15Å; Q92-K96 PolarHBondContact O-N 3.41Å; A93-K96 WeakPolarHBondContact O-CB 3.39Å; A93-K96 PolarHBondContact O-N 2.82Å; W94-K96 VanDerWaalsContact C-N 3.3Å; W94-K96 PolarHBondContact O-N 3.41Å; K96-S98 PolarHBondContact O-N 3.37Å; K96-S98 VanDerWaalsContact O-N 3.11Å; K96-E99 VanDerWaalsContact CE-CD 3.48Å; K96-E99 WeakPolarHBondContact CE-OE1 3.33Å; K96-E99 WeakPolarHBondContact CE-OE2 3.42Å; K96-E99 VanDerWaalsContact CG-CD 3.47Å; K96-E99 HydrophobicContact CG-CG 4.23Å; K96-E99 WeakPolarHBondContact CG-OE1 3.3Å; K96-E99 VanDerWaalsContact O-CB 3.3Å; K96-E99 WeakPolarHBondContact O-CB 3.21Å; K96-E99 VanDerWaalsContact O-CG 3.32Å; K96-E99 WeakPolarHBondContact O-CG 3.32Å; K96-E99 PolarHBondContact O-N 3.07Å
97Q95.2Very high94.9Very high26 Ų2656.2 Ų56.212%0.12128%0.282CS..THydrogen-bonded Turntrans-59.5-19.4170.2-71.7-178.1-13.700113W94 Y95 E99 S110 K111 Y113 F114 I196W94-Q97 WeakPolarHBondContact O-CB 3.38Å; W94-Q97 PolarHBondContact O-N 3.22Å; Y95-Q97 PolarHBondContact O-N 3.15Å; Y95-Q97 VanDerWaalsContact O-N 3.09Å; Q97-E99 PolarHBondContact O-N 3.27Å; Q97-S110 PolarHBondContact NE2-O 3.48Å; Q97-K111 HydrophobicContact CB-CD 4.1Å; Q97-K111 WeakPolarHBondContact O-CD 3.41Å; Q97-K111 WeakPolarHBondContact O-CE 3.27Å; Q97-K111 PolarHBondContact O-NZ 3.46Å; Q97-K111 PolarHBondContact OE1-O 2.96Å; Q97-Y113 VanDerWaalsContact OE1-CB 3.26Å; Q97-F114 HydrophobicContact CB-CB 3.62Å; Q97-F114 VanDerWaalsContact OE1-N 3.15Å; Q97-I196 HydrophobicContact CG-CD1 4.18Å
98S95.2Very high94.6Very high26 Ų2657.3 Ų57.318%0.18229%0.287CS..THydrogen-bonded Turntrans-59.4-23.4170.8650000114Y95 K96 N100 Y101 F114Y95-S98 WeakPolarHBondContact O-CB 3.43Å; Y95-S98 PolarHBondContact O-N 3.36Å; Y95-S98 PolarHBondContact O-OG 3.09Å; K96-S98 PolarHBondContact O-N 3.37Å; K96-S98 VanDerWaalsContact O-N 3.11Å; S98-N100 PolarHBondContact O-N 3.43Å; S98-Y101 WeakPolarHBondContact O-CB 3.27Å; S98-Y101 PolarHBondContact O-N 3.43Å; S98-Y101 VanDerWaalsContact O-N 3.08Å; S98-F114 VanDerWaalsContact CB-CE2 3.43Å
99E93.6Very high94.1Very high106 Ų10662.5 Ų62.550%0.49531%0.31SS..THydrogen-bonded Turntrans-58.1122.3175.1-68.2175.4179.800109.6K96 Q97 Y101 K111K96-E99 VanDerWaalsContact CE-CD 3.48Å; K96-E99 WeakPolarHBondContact CE-OE1 3.33Å; K96-E99 WeakPolarHBondContact CE-OE2 3.42Å; K96-E99 VanDerWaalsContact CG-CD 3.47Å; K96-E99 HydrophobicContact CG-CG 4.23Å; K96-E99 WeakPolarHBondContact CG-OE1 3.3Å; K96-E99 VanDerWaalsContact O-CB 3.3Å; K96-E99 WeakPolarHBondContact O-CB 3.21Å; K96-E99 VanDerWaalsContact O-CG 3.32Å; K96-E99 WeakPolarHBondContact O-CG 3.32Å; K96-E99 PolarHBondContact O-N 3.07Å; Q97-E99 PolarHBondContact O-N 3.27Å; E99-Y101 PolarHBondContact O-N 3.3Å; E99-K111 PolarHBondContact O-NZ 3.36Å
100N90.2Very high93.9Very high159 Ų15964.1 Ų64.185%0.8533%0.325SS*.THydrogen-bonded Turntrans58.529.2-177.7-46.8-48.3000114.2S98 D102S98-N100 PolarHBondContact O-N 3.43Å; N100-D102 PolarHBondContact O-N 3.5Å
101Y94.9Very high93.8Very high16 Ų1665.7 Ų65.76%0.06333%0.332CS..  trans-71.8122.3170.5-171.8-83.8000110.4S98 E99 Y103 Q108 K111 F114 T115 V158S98-Y101 WeakPolarHBondContact O-CB 3.27Å; S98-Y101 PolarHBondContact O-N 3.43Å; S98-Y101 VanDerWaalsContact O-N 3.08Å; E99-Y101 PolarHBondContact O-N 3.3Å; Y101-Y103 AromaticContact CD1-CD1 3.88Å; Y101-Y103 HydrophobicContact CD1-CD1 3.88Å; Y101-Y103 HydrophobicContact CD1-CD2 4.09Å; Y101-Y103 AromaticContact CD1-CE1 3.86Å; Y101-Y103 HydrophobicContact CD1-CE1 3.86Å; Y101-Y103 HydrophobicContact CD1-CE2 4.06Å; Y101-Y103 HydrophobicContact CD1-CG 4Å; Y101-Y103 AromaticContact CD1-CZ 3.94Å; Y101-Y103 HydrophobicContact CE1-CD1 4.01Å; Y101-Y103 HydrophobicContact CE1-CE1 4.24Å; Y101-Y103 HydrophobicContact CE1-CG 4.34Å; Y101-Y103 WeakPolarHBondContact O-CD2 3.46Å; Y101-Y103 PolarHBondContact O-N 2.81Å; Y101-Q108 HydrophobicContact CE2-CB 4.29Å; Y101-K111 HydrophobicContact CD2-CB 3.56Å; Y101-K111 HydrophobicContact CD2-CD 4.45Å; Y101-K111 HydrophobicContact CD2-CG 3.69Å; Y101-K111 HydrophobicContact CE2-CB 3.58Å; Y101-K111 HydrophobicContact CE2-CG 4.03Å; Y101-F114 HydrophobicContact CD1-CE1 4.24Å; Y101-F114 AromaticContact CD2-CD1 3.77Å; Y101-F114 HydrophobicContact CD2-CD1 3.77Å; Y101-F114 AromaticContact CD2-CE1 3.84Å; Y101-F114 HydrophobicContact CD2-CE1 3.84Å; Y101-F114 HydrophobicContact CE2-CD1 4.21Å; Y101-F114 HydrophobicContact CE2-CE1 4.33Å; Y101-F114 HydrophobicContact CG-CD1 4.19Å; Y101-F114 AromaticContact CG-CE1 3.81Å; Y101-F114 HydrophobicContact CG-CE1 3.81Å; Y101-T115 HydrophobicContact CD2-CG2 4.33Å; Y101-T115 HydrophobicContact CE2-CG2 3.39Å; Y101-V158 HydrophobicContact CE1-CG1 3.85Å
102D94.8Very high93.7Very high72 Ų7266.3 Ų66.339%0.38534%0.338SS..  trans-82.8110.7173.4-170.5-8.1000111.3N100 N104 E105 Q108N100-D102 PolarHBondContact O-N 3.5Å; D102-N104 PolarHBondContact O-N 3.24Å; D102-N104 WeakPolarHBondContact OD1-CB 3.47Å; D102-N104 PolarHBondContact OD1-N 3.03Å; D102-N104 PolarHBondContact OD1-ND2 2.94Å; D102-E105 HydrophobicContact CB-CB 4.24Å; D102-E105 PolarHBondContact O-N 3.27Å; D102-Q108 VanDerWaalsContact N-NE2 3.19Å; D102-Q108 PolarHBondContact O-NE2 3.19Å
103Y93.9Very high93.7Very high74 Ų7463.7 Ų63.729%0.2933%0.325SS..THydrogen-bonded Turntrans-73.2-3.3179.3-66.2-88.5000113.9H34 Y101 V158 L159 P160H34-Y103 PolarHBondContact CE1-OH 3.24Å; H34-Y103 VanDerWaalsContact CE1-OH 3.25Å; Y101-Y103 AromaticContact CD1-CD1 3.88Å; Y101-Y103 HydrophobicContact CD1-CD1 3.88Å; Y101-Y103 HydrophobicContact CD1-CD2 4.09Å; Y101-Y103 AromaticContact CD1-CE1 3.86Å; Y101-Y103 HydrophobicContact CD1-CE1 3.86Å; Y101-Y103 HydrophobicContact CD1-CE2 4.06Å; Y101-Y103 HydrophobicContact CD1-CG 4Å; Y101-Y103 AromaticContact CD1-CZ 3.94Å; Y101-Y103 HydrophobicContact CE1-CD1 4.01Å; Y101-Y103 HydrophobicContact CE1-CE1 4.24Å; Y101-Y103 HydrophobicContact CE1-CG 4.34Å; Y101-Y103 WeakPolarHBondContact O-CD2 3.46Å; Y101-Y103 PolarHBondContact O-N 2.81Å; Y103-V158 HydrophobicContact CD1-CG1 4.42Å; Y103-V158 HydrophobicContact CE1-CG1 4.22Å; Y103-L159 WeakPolarHBondContact CE1-O 3.41Å; Y103-P160 HydrophobicContact CD1-CB 4.17Å; Y103-P160 HydrophobicContact CD2-CB 4.31Å; Y103-P160 VanDerWaalsContact CE1-CA 3.48Å; Y103-P160 HydrophobicContact CE1-CB 4.34Å; Y103-P160 HydrophobicContact CE2-CB 4.48Å; Y103-P160 HydrophobicContact CG-CB 4.16Å
104N92Very high93.7Very high143 Ų14362.8 Ų62.877%0.76532%0.318SS*.THydrogen-bonded Turntrans-94.6-9.5173.5-51.2-69.6000112.9D102D102-N104 PolarHBondContact O-N 3.24Å; D102-N104 WeakPolarHBondContact OD1-CB 3.47Å; D102-N104 PolarHBondContact OD1-N 3.03Å; D102-N104 PolarHBondContact OD1-ND2 2.94Å
105E90.8Very high93.7Very high103 Ų10362.9 Ų62.948%0.48132%0.319SS..SBendtrans-109.7123.7178.3-172.2-176.9-178.300110.6D102 Q108D102-E105 HydrophobicContact CB-CB 4.24Å; D102-E105 PolarHBondContact O-N 3.27Å; E105-Q108 HydrophobicContact CB-CG 4.34Å; E105-Q108 HydrophobicContact CG-CG 4.12Å; E105-Q108 PolarHBondContact O-NE2 3.01Å
106D89.5Confident93.7Very high64 Ų6462.2 Ų62.234%0.34232%0.316SS..SBendtrans-79148.3173.4-70.3-17.3000110.7Q108 Y154 Q155D106-Q108 PolarHBondContact O-N 2.66Å; D106-Y154 HydrophobicContact CB-CD2 4.39Å; D106-Y154 HydrophobicContact CB-CG 4.12Å; D106-Y154 WeakPolarHBondContact OD1-CB 3.41Å; D106-Q155 WeakPolarHBondContact OD1-CG 3.46Å
107N88.3Confident93.8Very high52 Ų5256.4 Ų56.428%0.27829%0.291SS..  trans54.649.4169.8-167.346.4000116.1E109 Y154N107-E109 PolarHBondContact O-N 3.19Å; N107-Y154 VanDerWaalsContact CA-CZ 3.5Å; N107-Y154 HydrophobicContact CB-CD2 4.26Å; N107-Y154 HydrophobicContact CB-CE1 4.49Å; N107-Y154 HydrophobicContact CB-CE2 3.73Å; N107-Y154 PolarHBondContact OD1-OH 3.03Å; N107-Y154 VanDerWaalsContact OD1-OH 3.07Å
108Q92.1Very high94Very high22 Ų2255.1 Ų55.110%0.10329%0.285CS..  trans-66.397.9164.5-69.4165.358.800109.4Y101 D102 E105 D106 S110 K111Y101-Q108 HydrophobicContact CE2-CB 4.29Å; D102-Q108 VanDerWaalsContact N-NE2 3.19Å; D102-Q108 PolarHBondContact O-NE2 3.19Å; E105-Q108 HydrophobicContact CB-CG 4.34Å; E105-Q108 HydrophobicContact CG-CG 4.12Å; E105-Q108 PolarHBondContact O-NE2 3.01Å; D106-Q108 PolarHBondContact O-N 2.66Å; Q108-S110 PolarHBondContact O-N 3.03Å; Q108-S110 VanDerWaalsContact O-N 3.1Å; Q108-K111 HydrophobicContact CB-CB 4.01Å; Q108-K111 HydrophobicContact CB-CG 3.54Å; Q108-K111 WeakPolarHBondContact O-CA 3.45Å; Q108-K111 VanDerWaalsContact O-CB 3.27Å; Q108-K111 WeakPolarHBondContact O-CB 3.27Å; Q108-K111 PolarHBondContact O-N 3.26Å
109E87.7Confident94.1Very high171 Ų17154 Ų5480%0.79928%0.277SS*.G310 helixtrans-51.7-40.8-170.1-65.8-173.9164.400113.2N107 K111 G112N107-E109 PolarHBondContact O-N 3.19Å; E109-K111 PolarHBondContact O-N 3.15Å; E109-G112 PolarHBondContact O-N 3.48Å
110S92.6Very high94.4Very high84 Ų8453 Ų5359%0.58727%0.271SS*.G310 helixtrans-66-6.6178.168.40000114.8Q97 Q108Q97-S110 PolarHBondContact NE2-O 3.48Å; Q108-S110 PolarHBondContact O-N 3.03Å; Q108-S110 VanDerWaalsContact O-N 3.1Å
111K95.1Very high94.7Very high33 Ų3349.2 Ų49.214%0.14325%0.247CC..G310 helixtrans-113.46.9-173.9-48.8-57-156.9160.30113.4Q97 E99 Y101 Q108 E109 Y113 F114 T115Q97-K111 HydrophobicContact CB-CD 4.1Å; Q97-K111 WeakPolarHBondContact O-CD 3.41Å; Q97-K111 WeakPolarHBondContact O-CE 3.27Å; Q97-K111 PolarHBondContact O-NZ 3.46Å; Q97-K111 PolarHBondContact OE1-O 2.96Å; E99-K111 PolarHBondContact O-NZ 3.36Å; Y101-K111 HydrophobicContact CD2-CB 3.56Å; Y101-K111 HydrophobicContact CD2-CD 4.45Å; Y101-K111 HydrophobicContact CD2-CG 3.69Å; Y101-K111 HydrophobicContact CE2-CB 3.58Å; Y101-K111 HydrophobicContact CE2-CG 4.03Å; Q108-K111 HydrophobicContact CB-CB 4.01Å; Q108-K111 HydrophobicContact CB-CG 3.54Å; Q108-K111 WeakPolarHBondContact O-CA 3.45Å; Q108-K111 VanDerWaalsContact O-CB 3.27Å; Q108-K111 WeakPolarHBondContact O-CB 3.27Å; Q108-K111 PolarHBondContact O-N 3.26Å; E109-K111 PolarHBondContact O-N 3.15Å; K111-Y113 VanDerWaalsContact C-N 3.28Å; K111-Y113 PolarHBondContact O-N 2.95Å; K111-F114 PolarHBondContact O-N 3.43Å; K111-F114 VanDerWaalsContact O-N 3.15Å; K111-T115 PolarHBondContact O-N 3.47Å; K111-T115 PolarHBondContact O-OG1 3.43Å
112G95.5Very high94.9Very high14 Ų1448.5 Ų48.514%0.14424%0.244CC..Hα-helixtrans-58.2-32.6-173.300000114.9E109 T115 Q116 N149E109-G112 PolarHBondContact O-N 3.48Å; G112-T115 WeakPolarHBondContact CA-OG1 3.37Å; G112-T115 PolarHBondContact O-OG1 3.48Å; G112-Q116 VanDerWaalsContact O-CB 3.27Å; G112-Q116 WeakPolarHBondContact O-CB 3.49Å; G112-Q116 PolarHBondContact O-N 3.48Å; G112-N149 PolarHBondContact O-ND2 2.86Å
113Y96.6Very high95.1Very high14 Ų1449.9 Ų49.96%0.05525%0.247CC..Hα-helixtrans-69.6-42.9177.8-63.5-43.4000111.6N73 W94 Q97 K111 M117 I196 I197N73-Y113 HydrophobicContact CB-CD1 3.78Å; N73-Y113 HydrophobicContact CB-CE1 4.26Å; N73-Y113 HydrophobicContact CB-CG 4.48Å; N73-Y113 PolarHBondContact ND2-O 3.32Å; N73-Y113 WeakPolarHBondContact OD1-CD1 3.41Å; W94-Y113 AromaticContact CD1-CD2 3.89Å; W94-Y113 AromaticContact CD1-CG 3.81Å; W94-Y113 HydrophobicContact CG-CG 4.43Å; Q97-Y113 VanDerWaalsContact OE1-CB 3.26Å; K111-Y113 VanDerWaalsContact C-N 3.28Å; K111-Y113 PolarHBondContact O-N 2.95Å; Y113-M117 WeakPolarHBondContact O-CG 3.33Å; Y113-M117 PolarHBondContact O-N 3.11Å; Y113-I196 HydrophobicContact CD2-CB 4.07Å; Y113-I196 HydrophobicContact CD2-CD1 4.2Å; Y113-I196 HydrophobicContact CE2-CB 3.91Å; Y113-I197 WeakPolarHBondContact CE2-O 3.33Å; Y113-I197 PolarHBondContact OH-O 3.26Å
114F97.8Very high95.3Very high0 Ų051.2 Ų51.20%025%0.254CS..Hα-helixtrans-61.4-52.4174.2160.7-114.2000111.4H34 W94 Y95 Q97 S98 Y101 K111 Q116 M117 I118 V158H34-F114 AromaticContact CE1-CE2 3.87Å; H34-F114 AromaticContact CE1-CZ 3.63Å; H34-F114 AromaticContact NE2-CE2 3.75Å; W94-F114 WeakPolarHBondContact O-CB 3.42Å; W94-F114 PolarHBondContact O-N 2.84Å; Y95-F114 AromaticContact CD2-CD2 3.84Å; Y95-F114 HydrophobicContact CD2-CD2 3.84Å; Y95-F114 AromaticContact CD2-CE2 3.96Å; Y95-F114 HydrophobicContact CD2-CE2 3.96Å; Y95-F114 HydrophobicContact CE2-CD2 4.13Å; Y95-F114 AromaticContact CE2-CE2 3.75Å; Y95-F114 HydrophobicContact CE2-CE2 3.75Å; Q97-F114 HydrophobicContact CB-CB 3.62Å; Q97-F114 VanDerWaalsContact OE1-N 3.15Å; S98-F114 VanDerWaalsContact CB-CE2 3.43Å; Y101-F114 HydrophobicContact CD1-CE1 4.24Å; Y101-F114 AromaticContact CD2-CD1 3.77Å; Y101-F114 HydrophobicContact CD2-CD1 3.77Å; Y101-F114 AromaticContact CD2-CE1 3.84Å; Y101-F114 HydrophobicContact CD2-CE1 3.84Å; Y101-F114 HydrophobicContact CE2-CD1 4.21Å; Y101-F114 HydrophobicContact CE2-CE1 4.33Å; Y101-F114 HydrophobicContact CG-CD1 4.19Å; Y101-F114 AromaticContact CG-CE1 3.81Å; Y101-F114 HydrophobicContact CG-CE1 3.81Å; K111-F114 PolarHBondContact O-N 3.43Å; K111-F114 VanDerWaalsContact O-N 3.15Å; F114-Q116 VanDerWaalsContact C-N 3.25Å; F114-Q116 PolarHBondContact O-N 3.15Å; F114-M117 WeakPolarHBondContact O-CB 3.23Å; F114-M117 PolarHBondContact O-N 3.26Å; F114-I118 HydrophobicContact CD2-CD1 4.41Å; F114-I118 HydrophobicContact CD2-CG1 4.28Å; F114-I118 HydrophobicContact CD2-CG2 4.35Å; F114-I118 HydrophobicContact CE1-CD1 3.83Å; F114-I118 HydrophobicContact CE1-CG1 4.41Å; F114-I118 HydrophobicContact CE2-CD1 3.53Å; F114-I118 HydrophobicContact CE2-CG1 3.83Å; F114-I118 HydrophobicContact CE2-CG2 3.92Å; F114-I118 HydrophobicContact CZ-CD1 3.2Å; F114-I118 HydrophobicContact CZ-CG1 3.92Å; F114-I118 WeakPolarHBondContact O-CG1 3.42Å; F114-I118 PolarHBondContact O-N 3.47Å; F114-I118 VanDerWaalsContact O-N 3.15Å; F114-V158 HydrophobicContact CE1-CG1 4.41Å
115T97.9Very high95.7Very high1 Ų144.4 Ų44.41%0.00622%0.218CC..Hα-helixtrans-62.5-34.8-176.455.30000111.8Y101 K111 G112 I118 W119 N149 Y154 V158Y101-T115 HydrophobicContact CD2-CG2 4.33Å; Y101-T115 HydrophobicContact CE2-CG2 3.39Å; K111-T115 PolarHBondContact O-N 3.47Å; K111-T115 PolarHBondContact O-OG1 3.43Å; G112-T115 WeakPolarHBondContact CA-OG1 3.37Å; G112-T115 PolarHBondContact O-OG1 3.48Å; T115-I118 CarbonylContact O-C 3.5Å; T115-I118 PolarHBondContact O-N 2.82Å; T115-W119 WeakPolarHBondContact O-CA 3.49Å; T115-W119 WeakPolarHBondContact O-CB 3.16Å; T115-W119 PolarHBondContact O-N 2.91Å; T115-N149 WeakPolarHBondContact CB-OD1 3.27Å; T115-N149 PolarHBondContact OG1-OD1 2.99Å; T115-Y154 HydrophobicContact CG2-CE1 4.04Å; T115-V158 HydrophobicContact CG2-CG1 3.91Å; T115-V158 HydrophobicContact CG2-CG2 3.97Å
116Q98.1Very high96Very high4 Ų439.5 Ų39.52%0.01920%0.195CC..Hα-helixtrans-64-41.7173.5179.957.78800112.3N73 G112 F114 I118 W119 T122 Y144 N149N73-Q116 WeakPolarHBondContact OD1-CB 3.16Å; N73-Q116 WeakPolarHBondContact OD1-CG 3.38Å; G112-Q116 VanDerWaalsContact O-CB 3.27Å; G112-Q116 WeakPolarHBondContact O-CB 3.49Å; G112-Q116 PolarHBondContact O-N 3.48Å; F114-Q116 VanDerWaalsContact C-N 3.25Å; F114-Q116 PolarHBondContact O-N 3.15Å; Q116-I118 VanDerWaalsContact C-N 3.33Å; Q116-I118 PolarHBondContact O-N 3.33Å; Q116-W119 PolarHBondContact O-N 2.92Å; Q116-T122 PolarHBondContact NE2-OG1 2.89Å; Q116-Y144 HydrophobicContact CG-CD1 4.45Å; Q116-Y144 HydrophobicContact CG-CD2 3.44Å; Q116-Y144 VanDerWaalsContact CG-CD2 3.44Å; Q116-Y144 HydrophobicContact CG-CE2 3.87Å; Q116-Y144 HydrophobicContact CG-CG 3.77Å; Q116-N149 PolarHBondContact N-OD1 2.81Å
117M98.4Very high96.5Very high0 Ų036.5 Ų36.50%018%0.179CC..Hα-helixtrans-60.6-44.6178.2-71.717561.700111.7L30 R31 I91 W94 Y95 Y113 F114L30-M117 HydrophobicContact CD1-CE 3.65Å; R31-M117 WeakPolarHBondContact CD-O 3.32Å; R31-M117 VanDerWaalsContact CG-O 3.32Å; R31-M117 WeakPolarHBondContact CG-O 3.24Å; R31-M117 PolarHBondContact NH1-O 2.91Å; I91-M117 HydrophobicContact CG2-CE 3.71Å; W94-M117 HydrophobicContact CB-CG 4.35Å; W94-M117 HydrophobicContact CB-SD 3.27Å; W94-M117 WeakPolarHBondContact CB-SD 3.43Å; W94-M117 HydrophobicContact CE3-CG 4.5Å; W94-M117 HydrophobicContact CE3-SD 4.2Å; W94-M117 HydrophobicContact CG-SD 4.33Å; Y95-M117 HydrophobicContact CD2-CE 4.4Å; Y113-M117 WeakPolarHBondContact O-CG 3.33Å; Y113-M117 PolarHBondContact O-N 3.11Å; F114-M117 WeakPolarHBondContact O-CB 3.23Å; F114-M117 PolarHBondContact O-N 3.26Å
118I98.3Very high96.9Very high0 Ų034 Ų340%017%0.165CC..THydrogen-bonded Turntrans-95.311.2-175.766.9154.4000113.6R31 H34 C36 Y95 F114 T115 Q116 K120 N157 V158R31-I118 HydrophobicContact CG-CG2 4.5Å; H34-I118 HydrophobicContact CB-CB 4.3Å; H34-I118 HydrophobicContact CB-CD1 4.06Å; H34-I118 HydrophobicContact CB-CG2 4.4Å; C36-I118 PolarHBondContact SG-O 3.48Å; Y95-I118 HydrophobicContact CE2-CG2 4.45Å; F114-I118 HydrophobicContact CD2-CD1 4.41Å; F114-I118 HydrophobicContact CD2-CG1 4.28Å; F114-I118 HydrophobicContact CD2-CG2 4.35Å; F114-I118 HydrophobicContact CE1-CD1 3.83Å; F114-I118 HydrophobicContact CE1-CG1 4.41Å; F114-I118 HydrophobicContact CE2-CD1 3.53Å; F114-I118 HydrophobicContact CE2-CG1 3.83Å; F114-I118 HydrophobicContact CE2-CG2 3.92Å; F114-I118 HydrophobicContact CZ-CD1 3.2Å; F114-I118 HydrophobicContact CZ-CG1 3.92Å; F114-I118 WeakPolarHBondContact O-CG1 3.42Å; F114-I118 PolarHBondContact O-N 3.47Å; F114-I118 VanDerWaalsContact O-N 3.15Å; T115-I118 CarbonylContact O-C 3.5Å; T115-I118 PolarHBondContact O-N 2.82Å; Q116-I118 VanDerWaalsContact C-N 3.33Å; Q116-I118 PolarHBondContact O-N 3.33Å; I118-K120 PolarHBondContact O-N 3.2Å; I118-N157 VanDerWaalsContact O-O 3.13Å; I118-V158 HydrophobicContact CD1-CG1 3.84Å; I118-V158 HydrophobicContact CG1-CG1 4.49Å
119W98.5Very high97.2Very high1 Ų134.4 Ų34.40%0.00417%0.167CC..  trans-62114.3-179.3-160.6-99.2000111.7R31 T115 Q116 K121 T122 G148 N149 K150 E153 Y154 N157 V158R31-W119 PolarHBondContact NH1-O 2.97Å; R31-W119 PolarHBondContact NH2-O 2.84Å; T115-W119 WeakPolarHBondContact O-CA 3.49Å; T115-W119 WeakPolarHBondContact O-CB 3.16Å; T115-W119 PolarHBondContact O-N 2.91Å; Q116-W119 PolarHBondContact O-N 2.92Å; W119-K121 VanDerWaalsContact C-N 3.33Å; W119-K121 PolarHBondContact O-N 3.48Å; W119-T122 WeakPolarHBondContact CB-OG1 3.01Å; W119-T122 WeakPolarHBondContact O-CB 3.35Å; W119-T122 PolarHBondContact O-N 3.29Å; W119-T122 VanDerWaalsContact O-N 3.13Å; W119-G148 VanDerWaalsContact CD1-CA 3.49Å; W119-G148 VanDerWaalsContact CD2-CA 3.45Å; W119-G148 VanDerWaalsContact CE2-CA 3.5Å; W119-G148 VanDerWaalsContact CG-CA 3.47Å; W119-N149 VanDerWaalsContact CZ3-N 3.33Å; W119-K150 HydrophobicContact CZ2-CB 4.27Å; W119-E153 HydrophobicContact CH2-CB 4.17Å; W119-E153 HydrophobicContact CZ2-CB 3.69Å; W119-Y154 HydrophobicContact CH2-CD2 4Å; W119-Y154 HydrophobicContact CH2-CE2 4.17Å; W119-Y154 HydrophobicContact CH2-CG 4.18Å; W119-Y154 HydrophobicContact CZ3-CD1 4.07Å; W119-Y154 HydrophobicContact CZ3-CD2 4.27Å; W119-Y154 HydrophobicContact CZ3-CE1 4.1Å; W119-Y154 HydrophobicContact CZ3-CE2 4.27Å; W119-Y154 HydrophobicContact CZ3-CG 4.14Å; W119-N157 HydrophobicContact CD2-CB 3.44Å; W119-N157 VanDerWaalsContact CD2-CB 3.44Å; W119-N157 VanDerWaalsContact CE2-CB 3.42Å; W119-N157 HydrophobicContact CE3-CB 3.74Å; W119-N157 HydrophobicContact CG-CB 3.97Å; W119-N157 HydrophobicContact CH2-CB 3.98Å; W119-N157 HydrophobicContact CZ2-CB 3.72Å; W119-N157 WeakPolarHBondContact CZ2-ND2 3.49Å; W119-N157 HydrophobicContact CZ3-CB 3.98Å; W119-N157 VanDerWaalsContact NE1-CG 3.28Å; W119-N157 PolarHBondContact NE1-OD1 3.08Å; W119-V158 HydrophobicContact CE3-CG2 3.73Å; W119-V158 HydrophobicContact CZ3-CG2 3.65Å
120K98.6Very high97.6Very high87 Ų8726.9 Ų26.938%0.37813%0.133SC..THydrogen-bonded Turntrans-58.1-39.6-172.4-171.1-177.3-177.7176.50113.8I118 T122 K123 E156 N157 L159I118-K120 PolarHBondContact O-N 3.2Å; K120-T122 VanDerWaalsContact C-N 3.35Å; K120-K123 PolarHBondContact O-NZ 3.4Å; K120-E156 VanDerWaalsContact CD-O 3.28Å; K120-E156 WeakPolarHBondContact CD-O 3.38Å; K120-N157 HydrophobicContact CB-CB 4.38Å; K120-N157 PolarHBondContact N-O 2.82Å; K120-N157 PolarHBondContact N-OD1 3.21Å; K120-L159 HydrophobicContact CD-CD1 4.15Å
121K98.4Very high97.6Very high78 Ų7827.9 Ų27.934%0.33913%0.126SC..THydrogen-bonded Turntrans-75.5-19.2-179.8-75.7176.9-172175.20113.5W119 K123 E153 E156 N157W119-K121 VanDerWaalsContact C-N 3.33Å; W119-K121 PolarHBondContact O-N 3.48Å; K121-K123 WeakPolarHBondContact O-CE 3.22Å; K121-K123 WeakPolarHBondContact O-CG 3.22Å; K121-K123 PolarHBondContact O-N 2.68Å; K121-E153 WeakPolarHBondContact CD-OE2 3.19Å; K121-E153 IonicContact NZ-OE2 3.2Å; K121-E153 PolarHBondContact NZ-OE2 3.21Å; K121-E156 WeakPolarHBondContact CE-OE1 3.13Å; K121-E156 WeakPolarHBondContact CE-OE2 3.37Å; K121-E156 IonicContact NZ-OE1 2.99Å; K121-E156 PolarHBondContact NZ-OE1 2.99Å; K121-E156 IonicContact NZ-OE2 2.71Å; K121-E156 PolarHBondContact NZ-OE2 2.74Å; K121-N157 WeakPolarHBondContact CB-OD1 3.35Å; K121-N157 WeakPolarHBondContact CG-OD1 3.49Å; K121-N157 PolarHBondContact N-OD1 3.25Å
122T98.8Very high97.4Very high1 Ų127.1 Ų27.11%0.00613%0.125CC..  trans-62135.5173.5-61.20000110.1R31 L39 Q116 W119 K120 Y144 P146R31-T122 PolarHBondContact NH2-O 3.19Å; L39-T122 HydrophobicContact CD1-CG2 4.32Å; L39-T122 HydrophobicContact CD2-CG2 3.78Å; L39-T122 WeakPolarHBondContact CD2-O 3.13Å; Q116-T122 PolarHBondContact NE2-OG1 2.89Å; W119-T122 WeakPolarHBondContact CB-OG1 3.01Å; W119-T122 WeakPolarHBondContact O-CB 3.35Å; W119-T122 PolarHBondContact O-N 3.29Å; W119-T122 VanDerWaalsContact O-N 3.13Å; K120-T122 VanDerWaalsContact C-N 3.35Å; T122-Y144 HydrophobicContact CG2-CD1 4.09Å; T122-Y144 HydrophobicContact CG2-CG 4.47Å; T122-P146 PolarHBondContact OG1-O 3.45Å; T122-P146 VanDerWaalsContact OG1-O 3.11Å
123K98.7Very high97.1Very high102 Ų10231.4 Ų31.444%0.44315%0.145SC..  trans-121.5-29.6-174.9-56.4-54.8174.4-160.70113.9L39 K40 K120 K121 L145L39-K123 WeakPolarHBondContact CA-O 3.49Å; K40-K123 PolarHBondContact N-O 3.19Å; K120-K123 PolarHBondContact O-NZ 3.4Å; K121-K123 WeakPolarHBondContact O-CE 3.22Å; K121-K123 WeakPolarHBondContact O-CG 3.22Å; K121-K123 PolarHBondContact O-N 2.68Å; K123-L145 PolarHBondContact N-O 2.82Å
124K98.7Very high96.5Very high102 Ų10234.3 Ų34.344%0.44316%0.164SC..EExtended strand (participates in β ladder)trans-128149.7-174.9-59.3-178.3-175.2177.80110.8K40 L45 L145K40-K124 CarbonylContact O-C 3.58Å; K40-K124 WeakPolarHBondContact O-CA 3.45Å; L45-K124 HydrophobicContact CD1-CB 3.88Å; K124-L145 HydrophobicContact CB-CB 4.39Å; K124-L145 PolarHBondContact N-O 3.47Å; K124-L145 PolarHBondContact O-N 3.44Å
125V98.8Very high95.9Very high0 Ų037.3 Ų37.30%019%0.194CC..EExtended strand (participates in β ladder)trans-140.9157174.767.40000110.7L24 L39 K40 L41 S42 F127 H143 Y144L24-V125 HydrophobicContact CD1-CG1 3.62Å; L39-V125 HydrophobicContact CB-CG1 4.02Å; L39-V125 HydrophobicContact CD1-CB 3.93Å; L39-V125 HydrophobicContact CD1-CG1 4.06Å; K40-V125 PolarHBondContact O-N 2.7Å; L41-V125 CarbonylContact C-O 3.55Å; L41-V125 WeakPolarHBondContact CA-O 3.39Å; L41-V125 HydrophobicContact CD2-CG1 4.33Å; S42-V125 PolarHBondContact N-O 2.71Å; V125-F127 HydrophobicContact CB-CE2 4.39Å; V125-F127 HydrophobicContact CB-CZ 4.38Å; V125-F127 HydrophobicContact CG1-CE2 3.76Å; V125-F127 HydrophobicContact CG1-CZ 4.08Å; V125-F127 HydrophobicContact CG2-CD1 4.41Å; V125-F127 HydrophobicContact CG2-CD2 4.34Å; V125-F127 HydrophobicContact CG2-CE1 3.77Å; V125-F127 HydrophobicContact CG2-CE2 3.7Å; V125-F127 HydrophobicContact CG2-CZ 3.39Å; V125-H143 CarbonylContact C-O 3.57Å; V125-H143 VanDerWaalsContact CA-O 3.24Å; V125-H143 WeakPolarHBondContact CA-O 3.32Å; V125-H143 WeakPolarHBondContact CG2-O 3.3Å; V125-Y144 HydrophobicContact CB-CD1 4.2Å; V125-Y144 HydrophobicContact CB-CE1 4.37Å; V125-Y144 HydrophobicContact CG2-CD1 3.7Å; V125-Y144 HydrophobicContact CG2-CE1 3.56Å; V125-Y144 HydrophobicContact CG2-CG 4.32Å
126G98.6Very high95.5Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-147.7145.6162.500000109.6A49 H143A49-G126 WeakPolarHBondContact CB-O 3.18Å; G126-H143 PolarHBondContact N-O 2.88Å; G126-H143 PolarHBondContact O-N 2.79Å
127F98.6Very high95.2Very high0 Ų040.3 Ų40.30%021%0.211CC..EExtended strand (participates in β ladder)trans-118.1149.9-178.2-53.8-82.6000110.3F19 N20 C23 L24 N27 I91 W94 V125 V141F19-F127 HydrophobicContact CD1-CB 4.11Å; F19-F127 HydrophobicContact CE1-CB 3.62Å; N20-F127 PolarHBondContact ND2-O 3.31Å; N20-F127 PolarHBondContact OD1-N 2.88Å; N20-F127 PolarHBondContact OD1-O 3.06Å; C23-F127 HydrophobicContact CB-CB 4.38Å; C23-F127 HydrophobicContact CB-CD1 4.14Å; C23-F127 HydrophobicContact CB-CD2 3.44Å; C23-F127 VanDerWaalsContact CB-CD2 3.44Å; C23-F127 HydrophobicContact CB-CE1 4.28Å; C23-F127 HydrophobicContact CB-CE2 3.58Å; C23-F127 HydrophobicContact CB-CG 3.73Å; C23-F127 HydrophobicContact CB-CZ 4Å; L24-F127 HydrophobicContact CB-CE2 4.46Å; N27-F127 HydrophobicContact CB-CZ 4.31Å; I91-F127 HydrophobicContact CD1-CE1 3.72Å; I91-F127 HydrophobicContact CD1-CZ 4.01Å; W94-F127 HydrophobicContact CZ3-CD1 4.43Å; W94-F127 HydrophobicContact CZ3-CE1 4.14Å; V125-F127 HydrophobicContact CB-CE2 4.39Å; V125-F127 HydrophobicContact CB-CZ 4.38Å; V125-F127 HydrophobicContact CG1-CE2 3.76Å; V125-F127 HydrophobicContact CG1-CZ 4.08Å; V125-F127 HydrophobicContact CG2-CD1 4.41Å; V125-F127 HydrophobicContact CG2-CD2 4.34Å; V125-F127 HydrophobicContact CG2-CE1 3.77Å; V125-F127 HydrophobicContact CG2-CE2 3.7Å; V125-F127 HydrophobicContact CG2-CZ 3.39Å; F127-V141 CarbonylContact C-O 3.57Å; F127-V141 WeakPolarHBondContact CA-O 3.37Å
128G97.9Very high95.1Very high0 Ų040.4 Ų40.40%021%0.212CC..EExtended strand (participates in β ladder)trans-135.9153.9175.200000110.5V140 V141G128-V140 WeakPolarHBondContact O-CA 3.34Å; G128-V141 PolarHBondContact N-O 2.93Å; G128-V141 PolarHBondContact O-N 3.31Å
129F97.3Very high95Very high30 Ų3040.6 Ų40.613%0.13221%0.213CC..EExtended strand (participates in β ladder)trans-142.7145.2174.272.4-84.8000111.5E15 L16 F19 Q50 S53 Y83 I138 F139 V140E15-F129 HydrophobicContact CB-CZ 4.47Å; L16-F129 HydrophobicContact CD1-CD1 4.32Å; L16-F129 HydrophobicContact CD1-CE1 4.32Å; F19-F129 HydrophobicContact CB-CD1 4.01Å; F19-F129 HydrophobicContact CB-CE1 3.79Å; F19-F129 AromaticContact CD1-CD1 3.53Å; F19-F129 HydrophobicContact CD1-CD1 3.53Å; F19-F129 HydrophobicContact CD1-CE1 4.17Å; F19-F129 HydrophobicContact CD1-CG 4.48Å; F19-F129 AromaticContact CD2-CD1 3.83Å; F19-F129 HydrophobicContact CD2-CD1 3.83Å; F19-F129 HydrophobicContact CD2-CE1 4.27Å; F19-F129 HydrophobicContact CD2-CG 4.39Å; F19-F129 HydrophobicContact CE1-CB 4.06Å; F19-F129 AromaticContact CE1-CD1 3.83Å; F19-F129 HydrophobicContact CE1-CD1 3.83Å; F19-F129 HydrophobicContact CE1-CG 4.39Å; F19-F129 HydrophobicContact CE2-CB 4.14Å; F19-F129 HydrophobicContact CE2-CD1 4.09Å; F19-F129 HydrophobicContact CE2-CG 4.29Å; F19-F129 AromaticContact CG-CD1 3.51Å; F19-F129 HydrophobicContact CG-CD1 3.51Å; F19-F129 AromaticContact CG-CE1 3.83Å; F19-F129 HydrophobicContact CG-CE1 3.83Å; F19-F129 HydrophobicContact CG-CG 4.46Å; F19-F129 HydrophobicContact CZ-CB 3.8Å; F19-F129 HydrophobicContact CZ-CD1 4.1Å; F19-F129 HydrophobicContact CZ-CG 4.3Å; Q50-F129 PolarHBondContact NE2-O 3.19Å; Q50-F129 PolarHBondContact OE1-O 3.19Å; Q50-F129 VanDerWaalsContact OE1-O 3.13Å; S53-F129 PolarHBondContact OG-N 2.88Å; S53-F129 PolarHBondContact OG-O 2.96Å; Y83-F129 HydrophobicContact CD1-CE2 4.09Å; Y83-F129 HydrophobicContact CD1-CZ 4.11Å; Y83-F129 HydrophobicContact CD2-CE1 4.02Å; Y83-F129 HydrophobicContact CD2-CE2 4.3Å; Y83-F129 AromaticContact CD2-CZ 3.84Å; Y83-F129 HydrophobicContact CD2-CZ 3.84Å; Y83-F129 HydrophobicContact CE2-CZ 4.39Å; Y83-F129 HydrophobicContact CG-CD2 4.32Å; Y83-F129 HydrophobicContact CG-CE1 4.28Å; Y83-F129 AromaticContact CG-CE2 3.73Å; Y83-F129 HydrophobicContact CG-CE2 3.73Å; Y83-F129 AromaticContact CG-CZ 3.7Å; Y83-F129 HydrophobicContact CG-CZ 3.7Å; F129-I138 HydrophobicContact CB-CG2 4.16Å; F129-F139 CarbonylContact C-O 3.54Å; F129-F139 WeakPolarHBondContact CA-O 3.23Å; F129-V140 HydrophobicContact CB-CG2 4.48Å
130T95.7Very high94.9Very high14 Ų1440.6 Ų40.69%0.08621%0.213CC..EExtended strand (participates in β ladder)trans-140.9127.6171.7-62.60000109.6Q50 S53 E54 Q57 F139Q50-T130 PolarHBondContact NE2-OG1 2.87Å; S53-T130 PolarHBondContact OG-N 3.01Å; S53-T130 PolarHBondContact OG-OG1 3.08Å; E54-T130 HydrophobicContact CG-CG2 4.35Å; E54-T130 VanDerWaalsContact CG-OG1 3.29Å; E54-T130 WeakPolarHBondContact CG-OG1 3.28Å; E54-T130 PolarHBondContact N-OG1 3.32Å; Q57-T130 HydrophobicContact CB-CG2 3.6Å; Q57-T130 VanDerWaalsContact CD-CG2 3.4Å; Q57-T130 HydrophobicContact CG-CG2 3.65Å; T130-F139 PolarHBondContact N-O 3.2Å; T130-F139 PolarHBondContact O-N 2.88Å
131K93.9Very high94.9Very high105 Ų10536.5 Ų36.546%0.45720%0.195SC..EExtended strand (participates in β ladder)trans-73.9133.9172.9-169.4178.9-178.6177.80109.5Q57 I138Q57-K131 PolarHBondContact NE2-O 2.93Å; K131-I138 HydrophobicContact CB-CG1 4.48Å; K131-I138 HydrophobicContact CG-CG1 4.31Å
132S90.7Very high94.9Very high16 Ų1632.8 Ų32.811%0.11218%0.179CC..  trans-61.3146.6172.9-169.80000111.3V134 T137S132-V134 VanDerWaalsContact CB-O 3.32Å; S132-V134 WeakPolarHBondContact CB-O 3.13Å; S132-V134 PolarHBondContact OG-N 2.84Å; S132-V134 VanDerWaalsContact OG-N 3.15Å; S132-V134 PolarHBondContact OG-O 3.14Å; S132-T137 PolarHBondContact N-O 3.46Å
133D88.4Confident94.9Very high104 Ų10432.7 Ų32.756%0.55618%0.178SC*.SBendtrans-72.6-15.8167.361.6-29.6000112.1R60R60-D133 IonicContact CZ-OD2 3.67Å; R60-D133 IonicContact NE-OD1 2.58Å; R60-D133 IonicContact NH2-OD1 2.87Å; R60-D133 IonicContact NH2-OD2 3.86Å; R60-D133 PolarHBondContact NH2-OD2 3.26Å
134V84.9Confident94.9Very high76 Ų7627.9 Ų27.946%0.46116%0.157SC..SBendtrans-124130.3-179.6-179.50000110.7R60 S132R60-V134 VanDerWaalsContact NH2-CG2 3.29Å; S132-V134 VanDerWaalsContact CB-O 3.32Å; S132-V134 WeakPolarHBondContact CB-O 3.13Å; S132-V134 PolarHBondContact OG-N 2.84Å; S132-V134 VanDerWaalsContact OG-N 3.15Å; S132-V134 PolarHBondContact OG-O 3.14Å
135G85.1Confident94.8Very high62 Ų6225.6 Ų25.664%0.63915%0.15SC*.SBendtrans68.7-170.7-17900000113.2
136N89.4Confident94.8Very high47 Ų4728.5 Ų28.525%0.25117%0.169SC..SBendtrans-105.670.9179.6-172.627000109.6I78 G79 Q80 Q81I78-N136 CarbonylContact C-O 3.57Å; G79-N136 WeakPolarHBondContact CA-ND2 3.27Å; G79-N136 PolarHBondContact N-O 3.43Å; G79-N136 PolarHBondContact O-ND2 2.79Å; Q80-N136 PolarHBondContact O-OD1 3.02Å; Q81-N136 WeakPolarHBondContact CG-OD1 3.48Å
137T91.9Very high94.8Very high21 Ų2129.8 Ų29.813%0.12918%0.179CC..EExtended strand (participates in β ladder)trans-128.6141.1-173-62.30000111.1L76 I77 S132L76-T137 HydrophobicContact CD1-CG2 4.06Å; L76-T137 HydrophobicContact CD2-CG2 3.37Å; L76-T137 HydrophobicContact CG-CG2 3.42Å; L76-T137 VanDerWaalsContact CG-CG2 3.42Å; I77-T137 CarbonylContact O-C 3.53Å; I77-T137 VanDerWaalsContact O-CA 3.29Å; I77-T137 WeakPolarHBondContact O-CA 3.25Å; S132-T137 PolarHBondContact N-O 3.46Å
138I95.4Very high94.7Very high3 Ų330.2 Ų30.22%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-122.5124.8174.2-59.3178.4000109.2I77 Q80 A86 F129 K131 V140I77-I138 PolarHBondContact N-O 3.04Å; I77-I138 PolarHBondContact O-N 2.9Å; Q80-I138 VanDerWaalsContact O-CD1 3.26Å; Q80-I138 WeakPolarHBondContact O-CD1 3.35Å; A86-I138 HydrophobicContact CB-CB 4.11Å; A86-I138 HydrophobicContact CB-CD1 3.83Å; A86-I138 HydrophobicContact CB-CG2 4.07Å; F129-I138 HydrophobicContact CB-CG2 4.16Å; K131-I138 HydrophobicContact CB-CG1 4.48Å; K131-I138 HydrophobicContact CG-CG1 4.31Å; I138-V140 HydrophobicContact CG2-CG2 4.05Å
139F95.8Very high94.6Very high4 Ų432.7 Ų32.72%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-82.4131.5168.6-63.8-86000109L56 Q57 L62 L76 F129 T130L56-F139 HydrophobicContact CB-CB 4.24Å; L56-F139 HydrophobicContact CB-CD1 3.6Å; L56-F139 HydrophobicContact CB-CE1 4.11Å; L56-F139 HydrophobicContact CB-CG 3.96Å; L56-F139 HydrophobicContact CD1-CD1 4.32Å; Q57-F139 HydrophobicContact CB-CD2 3.97Å; Q57-F139 HydrophobicContact CB-CE2 4.14Å; Q57-F139 HydrophobicContact CG-CD2 4.41Å; Q57-F139 HydrophobicContact CG-CE2 4.37Å; L62-F139 HydrophobicContact CD2-CD1 3.98Å; L62-F139 HydrophobicContact CD2-CE1 4.37Å; L76-F139 HydrophobicContact CD1-CD1 4.5Å; L76-F139 HydrophobicContact CD1-CE1 3.79Å; L76-F139 HydrophobicContact CD1-CZ 4.2Å; L76-F139 HydrophobicContact CG-CE1 4.29Å; F129-F139 CarbonylContact C-O 3.54Å; F129-F139 WeakPolarHBondContact CA-O 3.23Å; T130-F139 PolarHBondContact N-O 3.2Å; T130-F139 PolarHBondContact O-N 2.88Å
140V97.5Very high94.4Very high1 Ų135.7 Ų35.71%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-125.4133.6177.6177.10000109.2F19 M74 A75 I77 A86 A90 W94 G128 F129 I138F19-V140 HydrophobicContact CZ-CG1 3.89Å; F19-V140 HydrophobicContact CZ-CG2 4.31Å; M74-V140 CarbonylContact C-O 3.56Å; M74-V140 WeakPolarHBondContact CA-O 3.37Å; A75-V140 HydrophobicContact CB-CB 4.45Å; A75-V140 PolarHBondContact N-O 3.13Å; A75-V140 PolarHBondContact O-N 2.83Å; I77-V140 HydrophobicContact CG1-CG2 4.21Å; A86-V140 HydrophobicContact CB-CG2 4.43Å; A90-V140 HydrophobicContact CB-CB 3.83Å; A90-V140 HydrophobicContact CB-CG1 3.57Å; A90-V140 HydrophobicContact CB-CG2 4.23Å; W94-V140 HydrophobicContact CH2-CG1 4.06Å; W94-V140 HydrophobicContact CZ2-CG1 4.37Å; G128-V140 WeakPolarHBondContact O-CA 3.34Å; F129-V140 HydrophobicContact CB-CG2 4.48Å; I138-V140 HydrophobicContact CG2-CG2 4.05Å
141V98Very high94.3Very high0 Ų040.6 Ų40.60%024%0.235CC..EExtended strand (participates in β ladder)trans-128.3139.2179.1177.30000109.8A49 H52 L56 N73 M74 F127 G128A49-V141 HydrophobicContact CB-CB 4.3Å; A49-V141 HydrophobicContact CB-CG1 3.99Å; H52-V141 HydrophobicContact CB-CG1 4.07Å; H52-V141 HydrophobicContact CB-CG2 4.25Å; H52-V141 WeakPolarHBondContact ND1-CG1 3.47Å; L56-V141 HydrophobicContact CD1-CG2 3.58Å; N73-V141 CarbonylContact O-C 3.54Å; N73-V141 WeakPolarHBondContact O-CA 3.32Å; M74-V141 HydrophobicContact CG-CG2 4.36Å; F127-V141 CarbonylContact C-O 3.57Å; F127-V141 WeakPolarHBondContact CA-O 3.37Å; G128-V141 PolarHBondContact N-O 2.93Å; G128-V141 PolarHBondContact O-N 3.31Å
142G98.4Very high94.3Very high0 Ų041.7 Ų41.70%025%0.25CS..EExtended strand (participates in β ladder)trans-118.8128.816600000110.9Q72 N73Q72-G142 CarbonylContact C-O 3.57Å; Q72-G142 WeakPolarHBondContact CA-O 3.27Å; N73-G142 PolarHBondContact N-O 3.39Å; N73-G142 PolarHBondContact O-N 3.34Å
143H98.5Very high94.5Very high0 Ų042.4 Ų42.40%025%0.252CS..EExtended strand (participates in β ladder)trans-111.9130.8173.7-77.4173.5000110.8L45 S48 A49 H52 G71 V125 G126L45-H143 HydrophobicContact CB-CB 4.35Å; L45-H143 HydrophobicContact CD2-CB 4.24Å; S48-H143 WeakPolarHBondContact CB-ND1 3.5Å; S48-H143 PolarHBondContact OG-CE1 3.48Å; S48-H143 PolarHBondContact OG-ND1 3.49Å; A49-H143 HydrophobicContact CB-CB 4.3Å; A49-H143 PolarHBondContact N-ND1 2.98Å; H52-H143 AromaticContact ND1-CE1 3.92Å; H52-H143 AromaticContact ND1-NE2 3.28Å; H52-H143 PolarHBondContact ND1-NE2 2.98Å; G71-H143 CarbonylContact O-C 3.53Å; G71-H143 VanDerWaalsContact O-CA 3.27Å; G71-H143 WeakPolarHBondContact O-CA 3.39Å; V125-H143 CarbonylContact C-O 3.57Å; V125-H143 VanDerWaalsContact CA-O 3.24Å; V125-H143 WeakPolarHBondContact CA-O 3.32Å; V125-H143 WeakPolarHBondContact CG2-O 3.3Å; G126-H143 PolarHBondContact N-O 2.88Å; G126-H143 PolarHBondContact O-N 2.79Å
144Y98.6Very high94.9Very high0 Ų037.7 Ų37.70%023%0.226CC..EExtended strand (participates in β ladder)trans-122.5132.4-168.3-63-90.9000112N27 L39 C70 G71 N73 Q116 T122 V125N27-Y144 PolarHBondContact ND2-OH 2.88Å; L39-Y144 HydrophobicContact CD1-CD1 4.12Å; L39-Y144 HydrophobicContact CD1-CE1 4.19Å; C70-Y144 CarbonylContact C-O 3.6Å; C70-Y144 VanDerWaalsContact CA-O 3.27Å; C70-Y144 WeakPolarHBondContact CA-O 3.45Å; C70-Y144 WeakPolarHBondContact CB-O 3.26Å; G71-Y144 PolarHBondContact N-O 3.47Å; G71-Y144 PolarHBondContact O-N 2.89Å; N73-Y144 HydrophobicContact CB-CE2 4Å; Q116-Y144 HydrophobicContact CG-CD1 4.45Å; Q116-Y144 HydrophobicContact CG-CD2 3.44Å; Q116-Y144 VanDerWaalsContact CG-CD2 3.44Å; Q116-Y144 HydrophobicContact CG-CE2 3.87Å; Q116-Y144 HydrophobicContact CG-CG 3.77Å; T122-Y144 HydrophobicContact CG2-CD1 4.09Å; T122-Y144 HydrophobicContact CG2-CG 4.47Å; V125-Y144 HydrophobicContact CB-CD1 4.2Å; V125-Y144 HydrophobicContact CB-CE1 4.37Å; V125-Y144 HydrophobicContact CG2-CD1 3.7Å; V125-Y144 HydrophobicContact CG2-CE1 3.56Å; V125-Y144 HydrophobicContact CG2-CG 4.32Å
145L98.4Very high95.4Very high55 Ų5541.1 Ų41.129%0.28824%0.237SC..EExtended strand (participates in β ladder)trans-134.6132.4-178.3-168.473.8000112.9L45 V69 C70 K123 K124L45-L145 HydrophobicContact CD1-CB 3.74Å; L45-L145 HydrophobicContact CD2-CB 4.33Å; V69-L145 HydrophobicContact CG1-CD1 4.42Å; C70-L145 HydrophobicContact CB-CD1 4.23Å; K123-L145 PolarHBondContact N-O 2.82Å; K124-L145 HydrophobicContact CB-CB 4.39Å; K124-L145 PolarHBondContact N-O 3.47Å; K124-L145 PolarHBondContact O-N 3.44Å
146P98Very high95.9Very high61 Ų6142.3 Ų42.340%0.39623%0.226SC..SBendcis-54.7158.2-13.7-24.835.5000112.9T122T122-P146 PolarHBondContact OG1-O 3.45Å; T122-P146 VanDerWaalsContact OG1-O 3.11Å
147A97.5Very high96.3Very high27 Ų2740 Ų4022%0.22321%0.214CC..  trans-59.9141.3172.600000110.6
148G97Very high96.6Very high9 Ų939.5 Ų39.59%0.09321%0.211CC..  trans-90.6-158.4172.100000112W119 K150W119-G148 VanDerWaalsContact CD1-CA 3.49Å; W119-G148 VanDerWaalsContact CD2-CA 3.45Å; W119-G148 VanDerWaalsContact CE2-CA 3.5Å; W119-G148 VanDerWaalsContact CG-CA 3.47Å; G148-K150 PolarHBondContact O-N 2.58Å; G148-K150 VanDerWaalsContact O-N 3.16Å
149N95.7Very high96.6Very high51 Ų5141.1 Ų41.127%0.27322%0.219SC..  trans53.537172.5-58.8-8.2000113.9G112 T115 Q116 W119 Y154G112-N149 PolarHBondContact O-ND2 2.86Å; T115-N149 WeakPolarHBondContact CB-OD1 3.27Å; T115-N149 PolarHBondContact OG1-OD1 2.99Å; Q116-N149 PolarHBondContact N-OD1 2.81Å; W119-N149 VanDerWaalsContact CZ3-N 3.33Å; N149-Y154 WeakPolarHBondContact CB-OH 3.21Å
150K94.2Very high96.6Very high93 Ų9344.3 Ų44.340%0.40424%0.24SC..  trans-83.8124.2170.9-63.2176-179.5-174.80108.3W119 G148 T152 E153 Y154W119-K150 HydrophobicContact CZ2-CB 4.27Å; G148-K150 PolarHBondContact O-N 2.58Å; G148-K150 VanDerWaalsContact O-N 3.16Å; K150-T152 PolarHBondContact O-N 2.86Å; K150-E153 HydrophobicContact CB-CB 4.13Å; K150-E153 HydrophobicContact CB-CG 4.15Å; K150-E153 HydrophobicContact CD-CG 4.27Å; K150-E153 WeakPolarHBondContact CD-OE1 3.33Å; K150-E153 IonicContact NZ-OE1 2.86Å; K150-E153 PolarHBondContact NZ-OE1 2.78Å; K150-E153 PolarHBondContact O-N 3.48Å; K150-Y154 VanDerWaalsContact O-CD2 3.27Å; K150-Y154 WeakPolarHBondContact O-CD2 3.15Å; K150-Y154 WeakPolarHBondContact O-CE2 3.18Å
151I93.1Very high96.5Very high118 Ų11848.4 Ų48.461%0.60526%0.256SS*.G310 helixtrans-48.6-38.9-173.1-65.3171.4000112.7E153I151-E153 PolarHBondContact O-N 3.22Å
152T93.2Very high96.2Very high128 Ų12851 Ų5179%0.78527%0.269SS*.G310 helixtrans-88.42.4-174.960.90000114.9K150K150-T152 PolarHBondContact O-N 2.86Å
153E95.9Very high95.3Very high31 Ų3160.1 Ų60.115%0.14531%0.312CS..G310 helixtrans-125.212.7-167.4-65.5-166.3-147.100112.9W119 K121 K150 I151 E156 N157W119-E153 HydrophobicContact CH2-CB 4.17Å; W119-E153 HydrophobicContact CZ2-CB 3.69Å; K121-E153 WeakPolarHBondContact CD-OE2 3.19Å; K121-E153 IonicContact NZ-OE2 3.2Å; K121-E153 PolarHBondContact NZ-OE2 3.21Å; K150-E153 HydrophobicContact CB-CB 4.13Å; K150-E153 HydrophobicContact CB-CG 4.15Å; K150-E153 HydrophobicContact CD-CG 4.27Å; K150-E153 WeakPolarHBondContact CD-OE1 3.33Å; K150-E153 IonicContact NZ-OE1 2.86Å; K150-E153 PolarHBondContact NZ-OE1 2.78Å; K150-E153 PolarHBondContact O-N 3.48Å; I151-E153 PolarHBondContact O-N 3.22Å; E153-E156 HydrophobicContact CB-CG 4.41Å; E153-E156 VanDerWaalsContact CB-OE1 3.25Å; E153-E156 WeakPolarHBondContact CB-OE1 3.45Å; E153-E156 VanDerWaalsContact CG-OE1 3.27Å; E153-E156 WeakPolarHBondContact CG-OE1 3.34Å; E153-E156 VanDerWaalsContact O-CG 3.23Å; E153-E156 WeakPolarHBondContact O-CG 3.25Å; E153-N157 WeakPolarHBondContact O-CB 3.39Å; E153-N157 PolarHBondContact O-N 3Å; E153-N157 PolarHBondContact O-ND2 3.47Å
154Y96.4Very high93.9Very high5 Ų563.2 Ų63.22%0.0234%0.343CS..Hα-helixtrans-66.3-53.3-173.5-89.2-99.7000113.2D106 N107 T115 W119 N149 K150 E156 N157 V158D106-Y154 HydrophobicContact CB-CD2 4.39Å; D106-Y154 HydrophobicContact CB-CG 4.12Å; D106-Y154 WeakPolarHBondContact OD1-CB 3.41Å; N107-Y154 VanDerWaalsContact CA-CZ 3.5Å; N107-Y154 HydrophobicContact CB-CD2 4.26Å; N107-Y154 HydrophobicContact CB-CE1 4.49Å; N107-Y154 HydrophobicContact CB-CE2 3.73Å; N107-Y154 PolarHBondContact OD1-OH 3.03Å; N107-Y154 VanDerWaalsContact OD1-OH 3.07Å; T115-Y154 HydrophobicContact CG2-CE1 4.04Å; W119-Y154 HydrophobicContact CH2-CD2 4Å; W119-Y154 HydrophobicContact CH2-CE2 4.17Å; W119-Y154 HydrophobicContact CH2-CG 4.18Å; W119-Y154 HydrophobicContact CZ3-CD1 4.07Å; W119-Y154 HydrophobicContact CZ3-CD2 4.27Å; W119-Y154 HydrophobicContact CZ3-CE1 4.1Å; W119-Y154 HydrophobicContact CZ3-CE2 4.27Å; W119-Y154 HydrophobicContact CZ3-CG 4.14Å; N149-Y154 WeakPolarHBondContact CB-OH 3.21Å; K150-Y154 VanDerWaalsContact O-CD2 3.27Å; K150-Y154 WeakPolarHBondContact O-CD2 3.15Å; K150-Y154 WeakPolarHBondContact O-CE2 3.18Å; Y154-E156 PolarHBondContact O-N 2.93Å; Y154-E156 VanDerWaalsContact O-N 3.14Å; Y154-N157 PolarHBondContact O-N 2.89Å; Y154-V158 HydrophobicContact CD1-CG2 3.88Å; Y154-V158 HydrophobicContact CE1-CG2 4.43Å; Y154-V158 PolarHBondContact O-N 3.49Å
155Q94.3Very high92.1Very high148 Ų14866.5 Ų66.569%0.69236%0.361SS*.Hα-helixtrans-55-35.7-176.4-62.7-174.5-17.600114.2D106D106-Q155 WeakPolarHBondContact OD1-CG 3.46Å
156E96.3Very high89.9Confident86 Ų8671.9 Ų71.940%0.40238%0.384SS..Hα-helixtrans-83.5-16.3179.355.1165.8-179.800113.7K120 K121 E153 Y154K120-E156 VanDerWaalsContact CD-O 3.28Å; K120-E156 WeakPolarHBondContact CD-O 3.38Å; K121-E156 WeakPolarHBondContact CE-OE1 3.13Å; K121-E156 WeakPolarHBondContact CE-OE2 3.37Å; K121-E156 IonicContact NZ-OE1 2.99Å; K121-E156 PolarHBondContact NZ-OE1 2.99Å; K121-E156 IonicContact NZ-OE2 2.71Å; K121-E156 PolarHBondContact NZ-OE2 2.74Å; E153-E156 HydrophobicContact CB-CG 4.41Å; E153-E156 VanDerWaalsContact CB-OE1 3.25Å; E153-E156 WeakPolarHBondContact CB-OE1 3.45Å; E153-E156 VanDerWaalsContact CG-OE1 3.27Å; E153-E156 WeakPolarHBondContact CG-OE1 3.34Å; E153-E156 VanDerWaalsContact O-CG 3.23Å; E153-E156 WeakPolarHBondContact O-CG 3.25Å; Y154-E156 PolarHBondContact O-N 2.93Å; Y154-E156 VanDerWaalsContact O-N 3.14Å
157N98Very high87.9Confident0 Ų074.7 Ų74.70%039%0.392CS..Hα-helixtrans-113-25.8-172.4-77.8-74.4000115.5I118 W119 K120 K121 E153 Y154I118-N157 VanDerWaalsContact O-O 3.13Å; W119-N157 HydrophobicContact CD2-CB 3.44Å; W119-N157 VanDerWaalsContact CD2-CB 3.44Å; W119-N157 VanDerWaalsContact CE2-CB 3.42Å; W119-N157 HydrophobicContact CE3-CB 3.74Å; W119-N157 HydrophobicContact CG-CB 3.97Å; W119-N157 HydrophobicContact CH2-CB 3.98Å; W119-N157 HydrophobicContact CZ2-CB 3.72Å; W119-N157 WeakPolarHBondContact CZ2-ND2 3.49Å; W119-N157 HydrophobicContact CZ3-CB 3.98Å; W119-N157 VanDerWaalsContact NE1-CG 3.28Å; W119-N157 PolarHBondContact NE1-OD1 3.08Å; K120-N157 HydrophobicContact CB-CB 4.38Å; K120-N157 PolarHBondContact N-O 2.82Å; K120-N157 PolarHBondContact N-OD1 3.21Å; K121-N157 WeakPolarHBondContact CB-OD1 3.35Å; K121-N157 WeakPolarHBondContact CG-OD1 3.49Å; K121-N157 PolarHBondContact N-OD1 3.25Å; E153-N157 WeakPolarHBondContact O-CB 3.39Å; E153-N157 PolarHBondContact O-N 3Å; E153-N157 PolarHBondContact O-ND2 3.47Å; Y154-N157 PolarHBondContact O-N 2.89Å
158V97.5Very high85.3Confident10 Ų1078.9 Ų78.96%0.06142%0.415CS..SBendtrans-11388-175.6-1750000107.9Y101 Y103 F114 T115 I118 W119 Y154Y101-V158 HydrophobicContact CE1-CG1 3.85Å; Y103-V158 HydrophobicContact CD1-CG1 4.42Å; Y103-V158 HydrophobicContact CE1-CG1 4.22Å; F114-V158 HydrophobicContact CE1-CG1 4.41Å; T115-V158 HydrophobicContact CG2-CG1 3.91Å; T115-V158 HydrophobicContact CG2-CG2 3.97Å; I118-V158 HydrophobicContact CD1-CG1 3.84Å; I118-V158 HydrophobicContact CG1-CG1 4.49Å; W119-V158 HydrophobicContact CE3-CG2 3.73Å; W119-V158 HydrophobicContact CZ3-CG2 3.65Å; Y154-V158 HydrophobicContact CD1-CG2 3.88Å; Y154-V158 HydrophobicContact CE1-CG2 4.43Å; Y154-V158 PolarHBondContact O-N 3.49Å
159L96.3Very high82.7Confident36 Ų3682.9 Ų82.919%0.18844%0.441CS..PPolyproline II helixtrans-91.9147.5-174.4-58.1179000111.1H34 H35 Y103 K120H34-L159 PolarHBondContact ND1-O 2.65Å; H35-L159 HydrophobicContact CB-CD1 3.91Å; Y103-L159 WeakPolarHBondContact CE1-O 3.41Å; K120-L159 HydrophobicContact CD-CD1 4.15Å
160P95.6Very high80Confident71 Ų7187.5 Ų87.546%0.46147%0.466SS..PPolyproline II helixtrans-60.3161.1174.527.1-34.8000111.5Y103Y103-P160 HydrophobicContact CD1-CB 4.17Å; Y103-P160 HydrophobicContact CD2-CB 4.31Å; Y103-P160 VanDerWaalsContact CE1-CA 3.48Å; Y103-P160 HydrophobicContact CE1-CB 4.34Å; Y103-P160 HydrophobicContact CE2-CB 4.48Å; Y103-P160 HydrophobicContact CG-CB 4.16Å
161R94.9Very high77.4Confident88 Ų8890.7 Ų90.733%0.33248%0.483SS..PPolyproline II helixtrans-65.6144.7174.7-170179.5179.2170.46.2110.1L33 E163 D165L33-R161 HydrophobicContact CB-CG 4.14Å; L33-R161 CarbonylContact O-C 3.48Å; L33-R161 VanDerWaalsContact O-CA 3.23Å; L33-R161 WeakPolarHBondContact O-CA 3.34Å; R161-E163 PolarHBondContact O-N 3Å; R161-D165 PolarHBondContact NE-O 3.13Å; R161-D165 PolarHBondContact NH2-O 2.9Å
162I91.8Very high74.7Confident54 Ų5492.2 Ų92.228%0.27749%0.492SS..PPolyproline II helixtrans-57.1123.2169.3-62.8160.7000109.2R32 L33 H35 G164R32-I162 WeakPolarHBondContact O-CD1 3.37Å; L33-I162 WeakPolarHBondContact O-CG1 3.28Å; L33-I162 PolarHBondContact O-N 2.8Å; H35-I162 WeakPolarHBondContact CE1-CG1 3.41Å; H35-I162 VanDerWaalsContact NE2-CG1 3.32Å; H35-I162 WeakPolarHBondContact NE2-CG1 3.28Å; I162-G164 PolarHBondContact O-N 3.46Å
163E80.2Confident72Confident192 Ų19293.4 Ų93.490%0.89749%0.493SS*.THydrogen-bonded Turntrans-58.8133.9174.1-66.5-177.1178.100110.7R161R161-E163 PolarHBondContact O-N 3Å
164G69.1Low68.9Low65 Ų6598.7 Ų98.767%0.6753%0.532SS*.THydrogen-bonded Turntrans89.5-8.3174.400000116.7I162 H166I162-G164 PolarHBondContact O-N 3.46Å; G164-H166 VanDerWaalsContact C-N 3.27Å; G164-H166 PolarHBondContact O-N 3.05Å
165D60.2Low66Low69 Ų69102.7 Ų102.737%0.36956%0.561SS.*  trans-7678170.8-100.1-5.3000109.3L33 R161L33-D165 HydrophobicContact CD2-CB 4.24Å; R161-D165 PolarHBondContact NE-O 3.13Å; R161-D165 PolarHBondContact NH2-O 2.9Å
166H53.4Low63.2Low168 Ų168103.3 Ų103.378%0.77857%0.569SS**  trans-67.4135.9166.8-73.1-80.1000109.3G164 T168G164-H166 VanDerWaalsContact C-N 3.27Å; G164-H166 PolarHBondContact O-N 3.05Å; H166-T168 PolarHBondContact O-N 3.04Å
167E54.9Low60.6Low119 Ų119104.8 Ų104.856%0.55659%0.589SS**  trans-59.5102.6173.3-75.5-171.7137.900109.1R29 S169R29-E167 IonicContact NH2-OE1 3.88Å; E167-S169 VanDerWaalsContact C-N 3.26Å; E167-S169 PolarHBondContact O-N 3.33Å
168T42.7Very low57.7Low116 Ų116111 Ų11171%0.71263%0.629SS**  trans-7194.4159.948.60000106.7H166 N170H166-T168 PolarHBondContact O-N 3.04Å; T168-N170 PolarHBondContact O-N 3.23Å
169S43.9Very low55.3Low92 Ų92116.3 Ų116.364%0.64366%0.657SS**  trans-58.393.6152.351.90000106.4E167 E171E167-S169 VanDerWaalsContact C-N 3.26Å; E167-S169 PolarHBondContact O-N 3.33Å; S169-E171 PolarHBondContact O-N 3.4Å
170N37.9Very low52.8Low148 Ų148123 Ų12379%0.79169%0.685SS**  trans-71.370.2163.9-79.4-9.4000107.7T168T168-N170 PolarHBondContact O-N 3.23Å
171E38.9Very low50.1Low161 Ų161126.9 Ų126.975%0.75270%0.702SS**  trans-74.5138.8140.5-63.2-175.3165.900105.2S169S169-E171 PolarHBondContact O-N 3.4Å
172D37.3Very low47.1Very low149 Ų149128 Ų12880%0.79772%0.72SS**  trans81.887.2176.8-49.3-27.8000118.2
173N35.8Very low44.5Very low153 Ų153134.9 Ų134.982%0.81875%0.748SS**  trans-170.388.1131.2-102.2-39.9000111.4
174C31.7Very low42.3Very low142 Ų142134.1 Ų134.196%0.95975%0.745SS**  trans-145.554.4155.9-121.30000109.6
175S35Very low40.7Very low89 Ų89139.9 Ų139.962%0.62275%0.754SS**  trans-9699.4162430000107.9
176N36Very low39.3Very low162 Ų162147.4 Ų147.487%0.86678%0.777SS**  trans172.483.8145.1-84.2-23.6000111.4
177S42.5Very low38Very low117 Ų117146.8 Ų146.882%0.81878%0.78SS**  trans-166.5129.4141.2-95.10000110.5
178P36.7Very low36.9Very low129 Ų129146.7 Ų146.784%0.83879%0.792SS**  trans-92.7104.217633.8-24.7000109
179D46.4Very low36.3Very low123 Ų123147.5 Ų147.566%0.65880%0.801SS**  trans-166.7126.1143.4-129.2-8.5000113.3
180K43.7Very low36.5Very low175 Ų175146.3 Ų146.376%0.76179%0.792SS**  trans52.3104.4148.5-68.4156.8-167.6144.10119.7
181N40Very low37.2Very low154 Ų154147.1 Ų147.182%0.82480%0.797SS**  143.7110.3104-149.46.3000110.9K183N181-K183 PolarHBondContact O-N 3.15Å
182P32Very low38.3Very low111 Ų111140.9 Ų140.972%0.72177%0.771SS**  trans-92.3103.6-172.533.4-27.7000110.5
183K36.2Very low40Very low198 Ų198139.8 Ų139.886%0.86176%0.761SS**  trans-178.6132.7156.1-97.5153.4-155.2-169.90109N181N181-K183 PolarHBondContact O-N 3.15Å
184Q34.7Very low42Very low176 Ų176134.6 Ų134.682%0.82274%0.736SS**  trans92.486.7172.3-51.9178.37.100116.8
185H35Very low44.3Very low186 Ų186130.1 Ų130.186%0.86170%0.704SS**  177.187.7113.4-100.8-74.1000108.9
186R29.8Very low46.5Very low228 Ų228128.1 Ų128.186%0.8669%0.686SS**  trans-85.2129.5161.8-70.2-177.3-172.3-177.11.5107.5
187N28.1Very low47.5Very low155 Ų155127.6 Ų127.683%0.82968%0.682SS**  trans59101.9150.2-54.9-9.4000118
188S31.3Very low47.8Very low116 Ų116128.2 Ų128.281%0.81168%0.675SS**  trans-134.874144.673.10000110.1S190S188-S190 VanDerWaalsContact C-N 3.32Å; S188-S190 PolarHBondContact O-N 2.97Å; S188-S190 VanDerWaalsContact O-N 3.07Å
189C30.5Very low48.4Very low134 Ų134128.1 Ų128.191%0.90567%0.667SS**  trans-6698.4155.1-121.20000106
190S47.2Very low48.5Very low66 Ų66128.4 Ų128.446%0.46267%0.667SS.*  trans-78.2124.4178.479.70000108.7S188 S192S188-S190 VanDerWaalsContact C-N 3.32Å; S188-S190 PolarHBondContact O-N 2.97Å; S188-S190 VanDerWaalsContact O-N 3.07Å; S190-S192 PolarHBondContact O-N 3.19Å; S190-S192 PolarHBondContact OG-OG 3.28Å
191N52.6Low48.8Very low165 Ų165125.6 Ų125.688%0.88266%0.662SS**  trans-64.756168.2-77.4-13.6000111.4Q193N191-Q193 PolarHBondContact O-N 3.06Å
192S61Low49.3Very low30 Ų30123.9 Ų123.921%0.2165%0.651CS.*PPolyproline II helixtrans-75.1116.7176.1-67.50000108.6I78 Q80 S190I78-S192 CarbonylContact O-C 3.54Å; I78-S192 WeakPolarHBondContact O-CA 3.23Å; Q80-S192 PolarHBondContact NE2-OG 3.47Å; S190-S192 PolarHBondContact O-N 3.19Å; S190-S192 PolarHBondContact OG-OG 3.28Å
193Q74.3Confident50.5Low126 Ų126124.7 Ų124.759%0.58965%0.647SS**EExtended strand (participates in β ladder)trans-94.4129.1174.1-174.3176.4-2.600108.7I78 N191I78-Q193 HydrophobicContact CB-CB 4.34Å; I78-Q193 PolarHBondContact N-O 3.34Å; I78-Q193 PolarHBondContact O-N 2.92Å; I78-Q193 VanDerWaalsContact O-N 3.08Å; N191-Q193 PolarHBondContact O-N 3.06Å
194C77.6Confident51.5Low44 Ų44119.5 Ų119.530%0.29763%0.632SS.*EExtended strand (participates in β ladder)trans-102.3130.3173.4-175.90000109.2I77 A93I77-C194 HydrophobicContact CD1-CB 3.87Å; I77-C194 WeakPolarHBondContact CD1-SG 3.5Å; A93-C194 HydrophobicContact CB-CB 4.05Å; A93-C194 WeakPolarHBondContact CB-SG 3.32Å
195V80.7Confident52.8Low49 Ų49115.2 Ų115.230%0.29762%0.617SS.*EExtended strand (participates in β ladder)trans-113.6122.6171.7-178.30000108A75 L76 I78 I197A75-V195 WeakPolarHBondContact CA-O 3.33Å; L76-V195 HydrophobicContact CB-CB 4.33Å; L76-V195 PolarHBondContact N-O 2.84Å; L76-V195 PolarHBondContact O-N 2.88Å; I78-V195 HydrophobicContact CD1-CG2 4.25Å; V195-I197 HydrophobicContact CG1-CG1 4.09Å
196I79.3Confident54.3Low47 Ų47109.3 Ų109.324%0.24160%0.596CS.*  trans-119.6135.5167.958.6172.6000105.6A75 A93 Q97 Y113A75-I196 HydrophobicContact CB-CG2 3.86Å; A93-I196 HydrophobicContact CB-CG2 4.05Å; A93-I196 WeakPolarHBondContact O-CD1 3.5Å; Q97-I196 HydrophobicContact CG-CD1 4.18Å; Y113-I196 HydrophobicContact CD2-CB 4.07Å; Y113-I196 HydrophobicContact CD2-CD1 4.2Å; Y113-I196 HydrophobicContact CE2-CB 3.91Å
197I59Low56.5Low151 Ų15198.5 Ų98.577%0.77457%0.573SS**  trans-115.70-179.8-50.8178.3000108.2L62 Y113 V195L62-I197 HydrophobicContact CB-CD1 3.97Å; L62-I197 HydrophobicContact CB-CG1 4.46Å; L62-I197 HydrophobicContact CD1-CB 4.43Å; L62-I197 HydrophobicContact CD1-CD1 4.11Å; L62-I197 HydrophobicContact CD1-CG1 3.86Å; L62-I197 HydrophobicContact CG-CD1 4.33Å; Y113-I197 WeakPolarHBondContact CE2-O 3.33Å; Y113-I197 PolarHBondContact OH-O 3.26Å; V195-I197 HydrophobicContact CG1-CG1 4.09Å

Retrieved 197 of 197 residues in 236.3 ms (Link to these results)

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