A0A077ZKA5_TRITR Loading...

Translation initiation factor eIF2B subunit alpha

Acts as a component of the translation initiation factor 2B (eIF2B) complex, which catalyzes the exchange of GDP for GTP on eukaryotic initiation factor 2 (eIF2) gamma subunit. Its guanine nucleotide exchange factor activity is repressed when bound to eIF2 complex phosphorylated on the alpha subunit, thereby limiting the amount of methionyl-initiator methionine tRNA available to the ribosome and consequently global translation is repressed.

AlphaFold DB , UniProt , Accession A0A077ZKA5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 272 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
1M49.9Very low65.2Low156 Ų156120.8 Ų120.877%0.76855%0.552SS**  0-58.10-66.1-122.5-60.700112.6E3 E4 K5M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.37Å; M1-E4 PolarHBondContact O-N 2.74Å; M1-E4 VanDerWaalsContact O-N 3.16Å; M1-K5 PolarHBondContact O-N 3.27Å
2L56Low66.3Low128 Ų128113.8 Ų113.867%0.6752%0.522SS*.Hα-helixtrans-58.8-43177.9-147.289.1000112.4E4 K5 Q6L2-E4 VanDerWaalsContact C-N 3.31Å; L2-E4 PolarHBondContact O-N 2.74Å; L2-K5 PolarHBondContact O-N 2.7Å; L2-Q6 WeakPolarHBondContact O-CG 3.48Å; L2-Q6 PolarHBondContact O-N 2.77Å
3E59.2Low67.4Low160 Ų160108.8 Ų108.875%0.74850%0.502SS*.Hα-helixtrans-61.3-36.9176.2-66.7179.516200112.8M1 Q6 R7M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.37Å; E3-Q6 PolarHBondContact O-N 2.94Å; E3-R7 WeakPolarHBondContact O-CB 3.19Å; E3-R7 PolarHBondContact O-N 3.22Å
4E62.5Low68.7Low102 Ų102106.3 Ų106.348%0.47749%0.494SS..Hα-helixtrans-70.7-43.7-177.6-147.5-179.1169.600110.9M1 L2 Q6 R7 Y8M1-E4 PolarHBondContact O-N 2.74Å; M1-E4 VanDerWaalsContact O-N 3.16Å; L2-E4 VanDerWaalsContact C-N 3.31Å; L2-E4 PolarHBondContact O-N 2.74Å; E4-Q6 PolarHBondContact O-N 3.47Å; E4-R7 WeakPolarHBondContact O-CB 3.39Å; E4-R7 PolarHBondContact O-N 3.21Å; E4-R7 VanDerWaalsContact O-N 3.15Å; E4-Y8 HydrophobicContact CB-CE2 4.46Å; E4-Y8 HydrophobicContact CG-CD2 4.41Å; E4-Y8 HydrophobicContact CG-CE2 3.69Å; E4-Y8 WeakPolarHBondContact O-CD2 3.26Å; E4-Y8 PolarHBondContact O-N 3.12Å; E4-Y8 PolarHBondContact OE1-OH 2.84Å
5K60.7Low70Confident77 Ų77105.5 Ų105.534%0.33549%0.49SS..Hα-helixtrans-60.3-44.6173.1-179.8-176.7173.8-172.80112.4M1 L2 R7 Y8 T9 L49M1-K5 PolarHBondContact O-N 3.27Å; L2-K5 PolarHBondContact O-N 2.7Å; K5-R7 VanDerWaalsContact C-N 3.29Å; K5-R7 PolarHBondContact O-N 3.1Å; K5-Y8 PolarHBondContact O-N 2.79Å; K5-T9 PolarHBondContact O-N 3.2Å; K5-T9 PolarHBondContact O-OG1 3.31Å; K5-L49 PolarHBondContact NZ-O 3.3Å
6Q65.3Low71.1Confident119 Ų119101.6 Ų101.656%0.55647%0.474SS*.Hα-helixtrans-61.1-40.5174.5-76.5178.5-15.500110.9L2 E3 E4 T9 T10L2-Q6 WeakPolarHBondContact O-CG 3.48Å; L2-Q6 PolarHBondContact O-N 2.77Å; E3-Q6 PolarHBondContact O-N 2.94Å; E4-Q6 PolarHBondContact O-N 3.47Å; Q6-T9 PolarHBondContact O-N 2.94Å; Q6-T10 VanDerWaalsContact O-CB 3.28Å; Q6-T10 WeakPolarHBondContact O-CB 3.31Å; Q6-T10 PolarHBondContact O-N 3.45Å; Q6-T10 PolarHBondContact O-OG1 2.99Å
7R69.7Low72.2Confident201 Ų201102.4 Ų102.476%0.75848%0.475SS*.Hα-helixtrans-62.8-42.7177.3-162.3-179.9-172.9-168.33.4112.5E3 E4 K5 R11E3-R7 WeakPolarHBondContact O-CB 3.19Å; E3-R7 PolarHBondContact O-N 3.22Å; E4-R7 WeakPolarHBondContact O-CB 3.39Å; E4-R7 PolarHBondContact O-N 3.21Å; E4-R7 VanDerWaalsContact O-N 3.15Å; K5-R7 VanDerWaalsContact C-N 3.29Å; K5-R7 PolarHBondContact O-N 3.1Å; R7-R11 WeakPolarHBondContact O-CB 3.37Å; R7-R11 PolarHBondContact O-N 2.92Å
8Y70Confident73.4Confident87 Ų87103 Ų10334%0.34148%0.476SS..Hα-helixtrans-66.9-47177-70.3-61.1000112.6E4 K5 T10 R11 I12 F56E4-Y8 HydrophobicContact CB-CE2 4.46Å; E4-Y8 HydrophobicContact CG-CD2 4.41Å; E4-Y8 HydrophobicContact CG-CE2 3.69Å; E4-Y8 WeakPolarHBondContact O-CD2 3.26Å; E4-Y8 PolarHBondContact O-N 3.12Å; E4-Y8 PolarHBondContact OE1-OH 2.84Å; K5-Y8 PolarHBondContact O-N 2.79Å; Y8-T10 VanDerWaalsContact C-N 3.27Å; Y8-T10 PolarHBondContact O-N 3.41Å; Y8-R11 PolarHBondContact O-N 3.48Å; Y8-R11 VanDerWaalsContact O-N 3.11Å; Y8-I12 WeakPolarHBondContact O-CG1 3.32Å; Y8-I12 PolarHBondContact O-N 2.97Å; Y8-F56 AromaticContact CD1-CD2 3.59Å; Y8-F56 HydrophobicContact CD1-CD2 3.59Å; Y8-F56 AromaticContact CD1-CE2 3.8Å; Y8-F56 HydrophobicContact CD1-CE2 3.8Å; Y8-F56 HydrophobicContact CD2-CD2 4.38Å; Y8-F56 HydrophobicContact CE1-CD2 4.03Å; Y8-F56 HydrophobicContact CE1-CE2 4.43Å; Y8-F56 AromaticContact CG-CD2 3.81Å; Y8-F56 HydrophobicContact CG-CD2 3.81Å; Y8-F56 HydrophobicContact CG-CE2 4.27Å
9T69.6Low74.5Confident49 Ų49100.2 Ų100.230%0.30147%0.473SS..Hα-helixtrans-59.3-42.8177.7-50.80000110.4K5 Q6 R11 I12 N13K5-T9 PolarHBondContact O-N 3.2Å; K5-T9 PolarHBondContact O-OG1 3.31Å; Q6-T9 PolarHBondContact O-N 2.94Å; T9-R11 PolarHBondContact O-N 2.87Å; T9-I12 PolarHBondContact O-N 2.71Å; T9-N13 WeakPolarHBondContact O-CB 3.24Å; T9-N13 PolarHBondContact O-N 3.18Å; T9-N13 PolarHBondContact O-ND2 3.21Å
10T75.4Confident75.4Confident75 Ų7596.3 Ų96.346%0.4646%0.455SS..Hα-helixtrans-62.4-43175.4-56.80000111.7Q6 Y8 N13 N14Q6-T10 VanDerWaalsContact O-CB 3.28Å; Q6-T10 WeakPolarHBondContact O-CB 3.31Å; Q6-T10 PolarHBondContact O-N 3.45Å; Q6-T10 PolarHBondContact O-OG1 2.99Å; Y8-T10 VanDerWaalsContact C-N 3.27Å; Y8-T10 PolarHBondContact O-N 3.41Å; T10-N13 PolarHBondContact O-N 3.23Å; T10-N14 WeakPolarHBondContact O-CB 3.28Å; T10-N14 PolarHBondContact O-N 3.29Å; T10-N14 PolarHBondContact O-ND2 2.82Å
11R79.3Confident76.3Confident175 Ų17597.8 Ų97.866%0.6646%0.462SS*.Hα-helixtrans-63.3-45.4178-171.9176.8-178.9179.70.1111.9R7 Y8 T9 N14 E15R7-R11 WeakPolarHBondContact O-CB 3.37Å; R7-R11 PolarHBondContact O-N 2.92Å; Y8-R11 PolarHBondContact O-N 3.48Å; Y8-R11 VanDerWaalsContact O-N 3.11Å; T9-R11 PolarHBondContact O-N 2.87Å; R11-N14 PolarHBondContact O-N 3.05Å; R11-E15 WeakPolarHBondContact O-CG 3.31Å; R11-E15 PolarHBondContact O-N 3.32Å
12I78.2Confident78.5Confident37 Ų3793.3 Ų93.319%0.1945%0.45CS..Hα-helixtrans-61.9-46.4177.3-68173.9000110.3Y8 T9 N14 E15 L16 F56 L63Y8-I12 WeakPolarHBondContact O-CG1 3.32Å; Y8-I12 PolarHBondContact O-N 2.97Å; T9-I12 PolarHBondContact O-N 2.71Å; I12-N14 VanDerWaalsContact C-N 3.28Å; I12-N14 PolarHBondContact O-N 3.17Å; I12-E15 PolarHBondContact O-N 3.03Å; I12-L16 HydrophobicContact CG2-CD1 3.89Å; I12-L16 HydrophobicContact CG2-CG 4.3Å; I12-L16 WeakPolarHBondContact O-CG 3.05Å; I12-L16 PolarHBondContact O-N 3.12Å; I12-F56 HydrophobicContact CD1-CE2 4.26Å; I12-L63 HydrophobicContact CD1-CD1 3.56Å; I12-L63 HydrophobicContact CG2-CD1 4.12Å
13N80.2Confident80.4Confident48 Ų4891.3 Ų91.326%0.25744%0.438SS..Hα-helixtrans-59.8-38.2176.9-77.7-21.4000112.4T9 T10 K17T9-N13 WeakPolarHBondContact O-CB 3.24Å; T9-N13 PolarHBondContact O-N 3.18Å; T9-N13 PolarHBondContact O-ND2 3.21Å; T10-N13 PolarHBondContact O-N 3.23Å; N13-K17 WeakPolarHBondContact O-CB 3.28Å; N13-K17 VanDerWaalsContact O-CG 3.29Å; N13-K17 WeakPolarHBondContact O-CG 3.25Å; N13-K17 PolarHBondContact O-N 3.2Å
14N86.2Confident82Confident74 Ų7485.2 Ų85.240%0.39641%0.41SS..Hα-helixtrans-67.2-42176.2-72.1-14.4000112.2T10 R11 I12 K17 K18T10-N14 WeakPolarHBondContact O-CB 3.28Å; T10-N14 PolarHBondContact O-N 3.29Å; T10-N14 PolarHBondContact O-ND2 2.82Å; R11-N14 PolarHBondContact O-N 3.05Å; I12-N14 VanDerWaalsContact C-N 3.28Å; I12-N14 PolarHBondContact O-N 3.17Å; N14-K17 PolarHBondContact O-N 2.81Å; N14-K18 WeakPolarHBondContact O-CG 3.21Å; N14-K18 PolarHBondContact O-N 2.91Å
15E88.1Confident83.4Confident94 Ų9484.3 Ų84.344%0.43941%0.409SS..Hα-helixtrans-66.6-38.4176.3-67.6-52.4128.200112R11 I12 K18 A19R11-E15 WeakPolarHBondContact O-CG 3.31Å; R11-E15 PolarHBondContact O-N 3.32Å; I12-E15 PolarHBondContact O-N 3.03Å; E15-K18 PolarHBondContact O-N 3.14Å; E15-K18 IonicContact OE1-NZ 2.79Å; E15-K18 PolarHBondContact OE1-NZ 3.11Å; E15-K18 IonicContact OE2-NZ 3.47Å; E15-A19 PolarHBondContact O-N 2.85Å
16L87.5Confident85Confident43 Ų4383.4 Ų83.423%0.22541%0.41CS..Hα-helixtrans-64.9-41.6173.9-68.9174000112I12 K18 A19 I20 F40 L41 I44I12-L16 HydrophobicContact CG2-CD1 3.89Å; I12-L16 HydrophobicContact CG2-CG 4.3Å; I12-L16 WeakPolarHBondContact O-CG 3.05Å; I12-L16 PolarHBondContact O-N 3.12Å; L16-K18 PolarHBondContact O-N 3.43Å; L16-A19 PolarHBondContact O-N 2.74Å; L16-I20 WeakPolarHBondContact O-CD1 3.47Å; L16-I20 WeakPolarHBondContact O-CG1 3.32Å; L16-I20 PolarHBondContact O-N 3Å; L16-F40 HydrophobicContact CD2-CE1 4.21Å; L16-L41 HydrophobicContact CB-CD2 3.87Å; L16-L41 HydrophobicContact CD1-CD2 3.8Å; L16-L41 HydrophobicContact CG-CD2 4.48Å; L16-I44 HydrophobicContact CD1-CD1 3.25Å
17K90Very high86.3Confident115 Ų11580.7 Ų80.750%0.540%0.399SS..Hα-helixtrans-59.8-44.1174.5-77.5175.8179.3-177.60112N13 N14 A19 I20 E21N13-K17 WeakPolarHBondContact O-CB 3.28Å; N13-K17 VanDerWaalsContact O-CG 3.29Å; N13-K17 WeakPolarHBondContact O-CG 3.25Å; N13-K17 PolarHBondContact O-N 3.2Å; N14-K17 PolarHBondContact O-N 2.81Å; K17-A19 VanDerWaalsContact C-N 3.33Å; K17-A19 PolarHBondContact O-N 3.31Å; K17-I20 PolarHBondContact O-N 3.4Å; K17-E21 WeakPolarHBondContact O-CG 3.25Å; K17-E21 PolarHBondContact O-N 3.24Å
18K94.1Very high87.3Confident114 Ų11475.1 Ų75.150%0.49639%0.39SS..Hα-helixtrans-60.4-41.9174.5-70.2173.4-173.8170.40112.1N14 E15 L16 I20 E21 A22N14-K18 WeakPolarHBondContact O-CG 3.21Å; N14-K18 PolarHBondContact O-N 2.91Å; E15-K18 PolarHBondContact O-N 3.14Å; E15-K18 IonicContact OE1-NZ 2.79Å; E15-K18 PolarHBondContact OE1-NZ 3.11Å; E15-K18 IonicContact OE2-NZ 3.47Å; L16-K18 PolarHBondContact O-N 3.43Å; K18-I20 VanDerWaalsContact C-N 3.33Å; K18-I20 PolarHBondContact O-N 3.03Å; K18-E21 PolarHBondContact O-N 2.96Å; K18-A22 WeakPolarHBondContact O-CB 3.46Å; K18-A22 PolarHBondContact O-N 2.96Å
19A93.4Very high88.2Confident49 Ų4972.2 Ų72.241%0.40538%0.382SS..Hα-helixtrans-63.7-40176.500000111.7E15 L16 K17 A22 M23E15-A19 PolarHBondContact O-N 2.85Å; L16-A19 PolarHBondContact O-N 2.74Å; K17-A19 VanDerWaalsContact C-N 3.33Å; K17-A19 PolarHBondContact O-N 3.31Å; A19-A22 PolarHBondContact O-N 2.82Å; A19-M23 WeakPolarHBondContact O-CG 3.47Å; A19-M23 PolarHBondContact O-N 2.87Å
20I93.7Very high89.3Confident22 Ų2272.7 Ų72.711%0.11338%0.379CS..Hα-helixtrans-64.2-46.5175.5-65.4162.4000110.6L16 K17 K18 A22 M23 L24 L41L16-I20 WeakPolarHBondContact O-CD1 3.47Å; L16-I20 WeakPolarHBondContact O-CG1 3.32Å; L16-I20 PolarHBondContact O-N 3Å; K17-I20 PolarHBondContact O-N 3.4Å; K18-I20 VanDerWaalsContact C-N 3.33Å; K18-I20 PolarHBondContact O-N 3.03Å; I20-A22 VanDerWaalsContact C-N 3.31Å; I20-A22 PolarHBondContact O-N 3.38Å; I20-M23 HydrophobicContact CB-CE 4.5Å; I20-M23 HydrophobicContact CG1-CE 4.09Å; I20-M23 PolarHBondContact O-N 3.28Å; I20-M23 VanDerWaalsContact O-N 3.15Å; I20-L24 HydrophobicContact CG2-CD1 3.84Å; I20-L24 HydrophobicContact CG2-CG 4.21Å; I20-L24 WeakPolarHBondContact O-CB 3.39Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 3.23Å; I20-L41 HydrophobicContact CD1-CD1 3.5Å; I20-L41 HydrophobicContact CD1-CD2 4.21Å; I20-L41 HydrophobicContact CD1-CG 3.84Å
21E94Very high90.1Very high128 Ų12869.2 Ų69.260%0.59836%0.357SS*.Hα-helixtrans-58-43.9175.4-73.9168.7-170.800111.5K17 K18 M23 L24 D25K17-E21 WeakPolarHBondContact O-CG 3.25Å; K17-E21 PolarHBondContact O-N 3.24Å; K18-E21 PolarHBondContact O-N 2.96Å; E21-M23 VanDerWaalsContact C-N 3.34Å; E21-M23 PolarHBondContact O-N 3.48Å; E21-L24 PolarHBondContact O-N 3.16Å; E21-D25 PolarHBondContact O-N 3.36Å
22A95.5Very high90.7Very high63 Ų6362.9 Ų62.952%0.52134%0.338SS..Hα-helixtrans-62.4-38.9175.900000112.6K18 A19 I20 D25K18-A22 WeakPolarHBondContact O-CB 3.46Å; K18-A22 PolarHBondContact O-N 2.96Å; A19-A22 PolarHBondContact O-N 2.82Å; I20-A22 VanDerWaalsContact C-N 3.31Å; I20-A22 PolarHBondContact O-N 3.38Å; A22-D25 PolarHBondContact O-N 3.25Å
23M95.2Very high91.4Very high85 Ų8562.3 Ų62.342%0.41934%0.336SS..Hα-helixtrans-67.7-44.1174.3-71.4-174.8-70.500111.7A19 I20 E21 D25 T26 I33A19-M23 WeakPolarHBondContact O-CG 3.47Å; A19-M23 PolarHBondContact O-N 2.87Å; I20-M23 HydrophobicContact CB-CE 4.5Å; I20-M23 HydrophobicContact CG1-CE 4.09Å; I20-M23 PolarHBondContact O-N 3.28Å; I20-M23 VanDerWaalsContact O-N 3.15Å; E21-M23 VanDerWaalsContact C-N 3.34Å; E21-M23 PolarHBondContact O-N 3.48Å; M23-D25 PolarHBondContact O-N 3.18Å; M23-T26 WeakPolarHBondContact O-CB 3.4Å; M23-T26 WeakPolarHBondContact O-CG2 3.12Å; M23-T26 PolarHBondContact O-N 3.5Å; M23-T26 VanDerWaalsContact O-N 3.1Å; M23-T26 PolarHBondContact O-OG1 2.96Å; M23-I33 HydrophobicContact CB-CD1 4.3Å; M23-I33 HydrophobicContact CB-CG2 3.68Å; M23-I33 WeakPolarHBondContact O-CD1 3.44Å
24L93.2Very high92.1Very high32 Ų3261.9 Ų61.917%0.16834%0.336CS..Hα-helixtrans-64.6-20.3176.9-67.2173.6000112.4I20 E21 T26 Y30 I33I20-L24 HydrophobicContact CG2-CD1 3.84Å; I20-L24 HydrophobicContact CG2-CG 4.21Å; I20-L24 WeakPolarHBondContact O-CB 3.39Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 3.23Å; E21-L24 PolarHBondContact O-N 3.16Å; L24-T26 PolarHBondContact O-N 3.43Å; L24-Y30 HydrophobicContact CB-CD2 4.37Å; L24-Y30 HydrophobicContact CB-CE2 4.2Å; L24-Y30 HydrophobicContact CD1-CE2 4.06Å; L24-Y30 HydrophobicContact CD2-CD1 4.44Å; L24-Y30 HydrophobicContact CD2-CD2 3.61Å; L24-Y30 HydrophobicContact CD2-CE1 4.42Å; L24-Y30 HydrophobicContact CD2-CE2 3.6Å; L24-Y30 HydrophobicContact CD2-CG 4.04Å; L24-Y30 HydrophobicContact CG-CD2 4.46Å; L24-Y30 HydrophobicContact CG-CE2 4.16Å; L24-I33 HydrophobicContact CD2-CB 3.8Å; L24-I33 HydrophobicContact CD2-CG2 3.45Å; L24-I33 VanDerWaalsContact CD2-CG2 3.45Å; L24-I33 HydrophobicContact CG-CG2 3.85Å
25D93.1Very high92.4Very high84 Ų8458.4 Ų58.445%0.44932%0.318SS..THydrogen-bonded Turntrans-76.1-8.4175.4-149.354.1000114.2E21 A22 M23 N224 K228E21-D25 PolarHBondContact O-N 3.36Å; A22-D25 PolarHBondContact O-N 3.25Å; M23-D25 PolarHBondContact O-N 3.18Å; D25-N224 VanDerWaalsContact C-ND2 3.27Å; D25-N224 VanDerWaalsContact CA-ND2 3.3Å; D25-N224 WeakPolarHBondContact CA-ND2 3.2Å; D25-N224 PolarHBondContact O-ND2 2.93Å; D25-N224 PolarHBondContact OD1-ND2 3.47Å; D25-K228 VanDerWaalsContact OD1-CE 3.24Å; D25-K228 WeakPolarHBondContact OD1-CE 3.36Å; D25-K228 IonicContact OD1-NZ 3.43Å; D25-K228 PolarHBondContact OD1-NZ 2.86Å; D25-K228 IonicContact OD2-NZ 2.61Å; D25-K228 PolarHBondContact OD2-NZ 3.19Å
26T94.2Very high92.6Very high58 Ų5855.1 Ų55.136%0.35631%0.307SS..SBendtrans-84.4169.8177.971.60000112.7M23 L24 C28 N224M23-T26 WeakPolarHBondContact O-CB 3.4Å; M23-T26 WeakPolarHBondContact O-CG2 3.12Å; M23-T26 PolarHBondContact O-N 3.5Å; M23-T26 VanDerWaalsContact O-N 3.1Å; M23-T26 PolarHBondContact O-OG1 2.96Å; L24-T26 PolarHBondContact O-N 3.43Å; T26-C28 PolarHBondContact O-N 2.88Å; T26-C28 WeakPolarHBondContact OG1-CB 3.23Å; T26-C28 PolarHBondContact OG1-N 2.87Å; T26-N224 WeakPolarHBondContact O-CB 3.44Å
27D91.7Very high92.9Very high61 Ų6153.6 Ų53.633%0.32630%0.299SS..SBendtrans-85.110.4175-79.3-13.7000114.2R223 N224 S225 R239D27-R223 HydrophobicContact CB-CB 4.38Å; D27-R223 HydrophobicContact CB-CG 3.97Å; D27-R223 WeakPolarHBondContact OD1-CB 3.05Å; D27-N224 PolarHBondContact OD1-N 2.7Å; D27-N224 VanDerWaalsContact OD1-N 3.08Å; D27-S225 WeakPolarHBondContact OD1-CB 3.42Å; D27-S225 PolarHBondContact OD1-N 3.5Å; D27-S225 PolarHBondContact OD1-OG 3.36Å; D27-S225 WeakPolarHBondContact OD2-CB 3.33Å; D27-S225 PolarHBondContact OD2-OG 2.93Å; D27-R239 PolarHBondContact O-NH1 3.11Å
28C90.8Very high92.9Very high84 Ų8451 Ų5157%0.56829%0.289SS*.SBendtrans-68.1173.4170.3-67.80000111.6T26 Y30 I33T26-C28 PolarHBondContact O-N 2.88Å; T26-C28 WeakPolarHBondContact OG1-CB 3.23Å; T26-C28 PolarHBondContact OG1-N 2.87Å; C28-Y30 PolarHBondContact O-N 3.47Å; C28-I33 HydrophobicContact CB-CD1 3.67Å
29S89.8Confident92.6Very high26 Ų2646.3 Ų46.318%0.18227%0.269CS..  trans-61.6110.3176.5169.90000110.9I31 T32 I33 E168S29-I31 PolarHBondContact O-N 3.38Å; S29-I31 PolarHBondContact OG-N 3.32Å; S29-T32 PolarHBondContact O-N 3.38Å; S29-T32 WeakPolarHBondContact OG-CB 3.39Å; S29-T32 PolarHBondContact OG-N 2.95Å; S29-T32 PolarHBondContact OG-OG1 2.91Å; S29-I33 WeakPolarHBondContact O-CD1 3.45Å; S29-I33 VanDerWaalsContact O-CG1 3.31Å; S29-I33 WeakPolarHBondContact O-CG1 3.45Å; S29-I33 PolarHBondContact O-N 3.09Å; S29-E168 WeakPolarHBondContact CA-OE1 3.37Å; S29-E168 WeakPolarHBondContact CB-OE1 3.38Å; S29-E168 WeakPolarHBondContact OG-CG 3.42Å; S29-E168 PolarHBondContact OG-OE1 3.47Å
30Y92.6Very high92.5Very high60 Ų6046.7 Ų46.724%0.23526%0.262CS..Hα-helixtrans-56.9-41.1172.1-177-77.5000110.6L24 C28 I33 S34 R219 F220L24-Y30 HydrophobicContact CB-CD2 4.37Å; L24-Y30 HydrophobicContact CB-CE2 4.2Å; L24-Y30 HydrophobicContact CD1-CE2 4.06Å; L24-Y30 HydrophobicContact CD2-CD1 4.44Å; L24-Y30 HydrophobicContact CD2-CD2 3.61Å; L24-Y30 HydrophobicContact CD2-CE1 4.42Å; L24-Y30 HydrophobicContact CD2-CE2 3.6Å; L24-Y30 HydrophobicContact CD2-CG 4.04Å; L24-Y30 HydrophobicContact CG-CD2 4.46Å; L24-Y30 HydrophobicContact CG-CE2 4.16Å; C28-Y30 PolarHBondContact O-N 3.47Å; Y30-I33 PolarHBondContact O-N 2.87Å; Y30-S34 WeakPolarHBondContact O-CB 3.49Å; Y30-S34 PolarHBondContact O-N 3.34Å; Y30-R219 WeakPolarHBondContact CB-O 3.3Å; Y30-R219 HydrophobicContact CD1-CG 4.17Å; Y30-R219 HydrophobicContact CD2-CB 4.3Å; Y30-R219 HydrophobicContact CD2-CG 4.43Å; Y30-R219 HydrophobicContact CE1-CG 4.18Å; Y30-R219 VanDerWaalsContact CE1-NE 3.34Å; Y30-R219 HydrophobicContact CE2-CG 4.43Å; Y30-R219 HydrophobicContact CG-CB 4.43Å; Y30-R219 HydrophobicContact CG-CG 4.31Å; Y30-R219 VanDerWaalsContact CZ-CD 3.41Å; Y30-R219 PolarHBondContact OH-NE 3.36Å; Y30-F220 AromaticContact CD1-CD1 3.78Å; Y30-F220 HydrophobicContact CD1-CD1 3.78Å; Y30-F220 AromaticContact CD1-CE1 3.51Å; Y30-F220 HydrophobicContact CD1-CE1 3.51Å; Y30-F220 HydrophobicContact CE1-CD1 4.43Å; Y30-F220 AromaticContact CE1-CE1 3.79Å; Y30-F220 HydrophobicContact CE1-CE1 3.79Å
31I92.2Very high92.2Very high1 Ų147.4 Ų47.41%0.00527%0.266CS..Hα-helixtrans-61.6-50.6-177-60.2172.5000110.6S29 S34 S35 E168 I177 V206 F220S29-I31 PolarHBondContact O-N 3.38Å; S29-I31 PolarHBondContact OG-N 3.32Å; I31-S34 PolarHBondContact O-N 3.14Å; I31-S35 WeakPolarHBondContact O-CB 3.46Å; I31-S35 PolarHBondContact O-N 3.34Å; I31-S35 PolarHBondContact O-OG 2.97Å; I31-E168 HydrophobicContact CB-CG 4.36Å; I31-E168 HydrophobicContact CD1-CG 4.42Å; I31-I177 HydrophobicContact CD1-CB 3.85Å; I31-I177 HydrophobicContact CD1-CD1 3.8Å; I31-I177 HydrophobicContact CD1-CG1 4.43Å; I31-I177 HydrophobicContact CD1-CG2 3.38Å; I31-V206 HydrophobicContact CG2-CG1 3.78Å; I31-V206 HydrophobicContact CG2-CG2 4.45Å; I31-F220 HydrophobicContact CD1-CB 4Å; I31-F220 HydrophobicContact CD1-CD1 4.34Å; I31-F220 HydrophobicContact CD1-CD2 4.13Å; I31-F220 HydrophobicContact CD1-CG 3.92Å; I31-F220 HydrophobicContact CG1-CB 4.19Å; I31-F220 HydrophobicContact CG1-CD1 3.63Å; I31-F220 HydrophobicContact CG1-CD2 4.13Å; I31-F220 HydrophobicContact CG1-CE1 4.01Å; I31-F220 HydrophobicContact CG1-CE2 4.44Å; I31-F220 HydrophobicContact CG1-CG 3.72Å; I31-F220 HydrophobicContact CG1-CZ 4.39Å
32T91.5Very high91.7Very high42 Ų4245 Ų4526%0.25825%0.251SS..Hα-helixtrans-65.6-43-179.5-58.40000110.8S29 S35 A36 E168S29-T32 PolarHBondContact O-N 3.38Å; S29-T32 WeakPolarHBondContact OG-CB 3.39Å; S29-T32 PolarHBondContact OG-N 2.95Å; S29-T32 PolarHBondContact OG-OG1 2.91Å; T32-S35 PolarHBondContact O-OG 3.48Å; T32-A36 WeakPolarHBondContact O-CB 3.04Å; T32-A36 PolarHBondContact O-N 3.32Å; T32-E168 PolarHBondContact OG1-O 2.94Å
33I93.4Very high91.1Very high26 Ų2644 Ų4413%0.13324%0.235CC..Hα-helixtrans-64.4-47.5178.4-66.7163.6000110.1M23 L24 C28 S29 Y30 S37M23-I33 HydrophobicContact CB-CD1 4.3Å; M23-I33 HydrophobicContact CB-CG2 3.68Å; M23-I33 WeakPolarHBondContact O-CD1 3.44Å; L24-I33 HydrophobicContact CD2-CB 3.8Å; L24-I33 HydrophobicContact CD2-CG2 3.45Å; L24-I33 VanDerWaalsContact CD2-CG2 3.45Å; L24-I33 HydrophobicContact CG-CG2 3.85Å; C28-I33 HydrophobicContact CB-CD1 3.67Å; S29-I33 WeakPolarHBondContact O-CD1 3.45Å; S29-I33 VanDerWaalsContact O-CG1 3.31Å; S29-I33 WeakPolarHBondContact O-CG1 3.45Å; S29-I33 PolarHBondContact O-N 3.09Å; Y30-I33 PolarHBondContact O-N 2.87Å; I33-S37 WeakPolarHBondContact O-CB 3.38Å; I33-S37 PolarHBondContact O-N 2.7Å; I33-S37 PolarHBondContact O-OG 2.93Å
34S93.1Very high90.4Very high39 Ų3940.2 Ų40.227%0.27322%0.217SC..Hα-helixtrans-62-49.3-178.1-175.70000111.8Y30 I31 E38Y30-S34 WeakPolarHBondContact O-CB 3.49Å; Y30-S34 PolarHBondContact O-N 3.34Å; I31-S34 PolarHBondContact O-N 3.14Å; S34-E38 WeakPolarHBondContact O-CB 3.48Å; S34-E38 PolarHBondContact O-N 3.35Å
35S92.8Very high89.5Confident1 Ų142 Ų421%0.00723%0.232CC..Hα-helixtrans-65.1-50.5-179.948.10000112.1I31 T32 S37 E38 L39 V203I31-S35 WeakPolarHBondContact O-CB 3.46Å; I31-S35 PolarHBondContact O-N 3.34Å; I31-S35 PolarHBondContact O-OG 2.97Å; T32-S35 PolarHBondContact O-OG 3.48Å; S35-S37 VanDerWaalsContact C-N 3.3Å; S35-S37 PolarHBondContact O-N 3.26Å; S35-E38 PolarHBondContact O-N 3.09Å; S35-L39 PolarHBondContact O-N 3.47Å; S35-V203 WeakPolarHBondContact CB-O 3.34Å; S35-V203 PolarHBondContact OG-O 3.44Å
36A92.9Very high88.2Confident25 Ų2542.9 Ų42.921%0.20724%0.236CC..Hα-helixtrans-61.8-39.6179.300000112.1T32 F40 V203T32-A36 WeakPolarHBondContact O-CB 3.04Å; T32-A36 PolarHBondContact O-N 3.32Å; A36-F40 WeakPolarHBondContact O-CB 3.49Å; A36-F40 PolarHBondContact O-N 3.39Å; A36-V203 HydrophobicContact CB-CG2 3.78Å
37S92.6Very high86.7Confident10 Ų1040.8 Ų40.87%0.0723%0.225CC..Hα-helixtrans-67.4-41.9177.9-62.40000112.1I33 S35 F40 L41I33-S37 WeakPolarHBondContact O-CB 3.38Å; I33-S37 PolarHBondContact O-N 2.7Å; I33-S37 PolarHBondContact O-OG 2.93Å; S35-S37 VanDerWaalsContact C-N 3.3Å; S35-S37 PolarHBondContact O-N 3.26Å; S37-F40 PolarHBondContact O-N 2.98Å; S37-L41 WeakPolarHBondContact O-CB 3.43Å; S37-L41 VanDerWaalsContact O-CG 3.3Å; S37-L41 WeakPolarHBondContact O-CG 3.42Å; S37-L41 PolarHBondContact O-N 2.89Å
38E90.5Very high84.9Confident62 Ų6241.9 Ų41.929%0.2924%0.237SC..Hα-helixtrans-63.5-47.4177-171.9-179178.800111.3S34 S35 F40 L41 R42 Y271S34-E38 WeakPolarHBondContact O-CB 3.48Å; S34-E38 PolarHBondContact O-N 3.35Å; S35-E38 PolarHBondContact O-N 3.09Å; E38-F40 VanDerWaalsContact C-N 3.34Å; E38-F40 PolarHBondContact O-N 3.27Å; E38-L41 PolarHBondContact O-N 2.8Å; E38-R42 WeakPolarHBondContact O-CG 3.4Å; E38-R42 PolarHBondContact O-N 2.81Å; E38-R42 IonicContact OE1-CZ 3.76Å; E38-R42 IonicContact OE1-NE 2.78Å; E38-R42 PolarHBondContact OE1-NE 2.88Å; E38-R42 IonicContact OE1-NH2 2.72Å; E38-R42 PolarHBondContact OE1-NH2 2.93Å; E38-Y271 VanDerWaalsContact CD-CE1 3.49Å; E38-Y271 HydrophobicContact CG-CE1 4.28Å; E38-Y271 WeakPolarHBondContact OE1-CE1 3.45Å; E38-Y271 PolarHBondContact OE2-OH 3.4Å
39L89.4Confident83.2Confident15 Ų1539 Ų398%0.07922%0.216CC..Hα-helixtrans-64.4-39.2177.4-73173.5000111.9S35 R42 F43 F70 V203 Y271S35-L39 PolarHBondContact O-N 3.47Å; L39-R42 PolarHBondContact O-N 2.81Å; L39-F43 WeakPolarHBondContact O-CB 3.28Å; L39-F43 PolarHBondContact O-N 2.75Å; L39-F70 HydrophobicContact CB-CE2 4.04Å; L39-F70 HydrophobicContact CB-CZ 4.21Å; L39-V203 HydrophobicContact CD1-CB 4.36Å; L39-V203 HydrophobicContact CD1-CG2 4.05Å; L39-Y271 HydrophobicContact CD2-CD2 4.1Å; L39-Y271 HydrophobicContact CD2-CE2 3.72Å; L39-Y271 HydrophobicContact CG-CE2 4.41Å
40F90.7Very high81.6Confident56 Ų5643.6 Ų43.625%0.24624%0.238CC..Hα-helixtrans-60.6-49.9174.1179.4-98.7000111.3L16 A36 S37 E38 R42 F43 I44 F70L16-F40 HydrophobicContact CD2-CE1 4.21Å; A36-F40 WeakPolarHBondContact O-CB 3.49Å; A36-F40 PolarHBondContact O-N 3.39Å; S37-F40 PolarHBondContact O-N 2.98Å; E38-F40 VanDerWaalsContact C-N 3.34Å; E38-F40 PolarHBondContact O-N 3.27Å; F40-R42 VanDerWaalsContact C-N 3.33Å; F40-R42 PolarHBondContact O-N 2.81Å; F40-F43 PolarHBondContact O-N 2.97Å; F40-I44 HydrophobicContact CD1-CD1 4.11Å; F40-I44 HydrophobicContact CD2-CG2 4.45Å; F40-I44 HydrophobicContact CE1-CD1 3.75Å; F40-I44 HydrophobicContact CE1-CG2 4.18Å; F40-I44 HydrophobicContact CE2-CG2 4.13Å; F40-I44 HydrophobicContact CZ-CD1 4.44Å; F40-I44 HydrophobicContact CZ-CG2 3.97Å; F40-I44 WeakPolarHBondContact O-CG1 3.26Å; F40-I44 WeakPolarHBondContact O-CG2 3.48Å; F40-I44 PolarHBondContact O-N 2.99Å; F40-F70 HydrophobicContact CB-CD1 4.39Å; F40-F70 HydrophobicContact CB-CE1 4.01Å; F40-F70 HydrophobicContact CB-CE2 4.43Å; F40-F70 HydrophobicContact CB-CZ 4.04Å; F40-F70 HydrophobicContact CD2-CB 4.23Å; F40-F70 AromaticContact CD2-CD1 3.62Å; F40-F70 HydrophobicContact CD2-CD1 3.62Å; F40-F70 HydrophobicContact CD2-CE1 4.05Å; F40-F70 AromaticContact CD2-CG 3.9Å; F40-F70 HydrophobicContact CD2-CG 3.9Å; F40-F70 HydrophobicContact CE2-CD1 4.45Å; F40-F70 HydrophobicContact CG-CD1 4.5Å
41L87.6Confident79.9Confident37 Ų3746.5 Ų46.519%0.19425%0.254CS..Hα-helixtrans-59-43.1178.6-76.3179.8000111.9L16 I20 S37 E38 I44 S45L16-L41 HydrophobicContact CB-CD2 3.87Å; L16-L41 HydrophobicContact CD1-CD2 3.8Å; L16-L41 HydrophobicContact CG-CD2 4.48Å; I20-L41 HydrophobicContact CD1-CD1 3.5Å; I20-L41 HydrophobicContact CD1-CD2 4.21Å; I20-L41 HydrophobicContact CD1-CG 3.84Å; S37-L41 WeakPolarHBondContact O-CB 3.43Å; S37-L41 VanDerWaalsContact O-CG 3.3Å; S37-L41 WeakPolarHBondContact O-CG 3.42Å; S37-L41 PolarHBondContact O-N 2.89Å; E38-L41 PolarHBondContact O-N 2.8Å; L41-I44 HydrophobicContact CD2-CD1 4.21Å; L41-I44 VanDerWaalsContact O-CG1 3.29Å; L41-I44 WeakPolarHBondContact O-CG1 3.46Å; L41-S45 WeakPolarHBondContact O-CB 3.49Å; L41-S45 PolarHBondContact O-N 3.07Å; L41-S45 PolarHBondContact O-OG 3.46Å
42R82.9Confident78Confident79 Ų7950.6 Ų50.630%0.29828%0.281SS..Hα-helixtrans-63.8-47.8174.9-71.6176.3-174.6-118.3-2.3111.3E38 L39 F40 I44 S45 L46 Y271E38-R42 WeakPolarHBondContact O-CG 3.4Å; E38-R42 PolarHBondContact O-N 2.81Å; E38-R42 IonicContact OE1-CZ 3.76Å; E38-R42 IonicContact OE1-NE 2.78Å; E38-R42 PolarHBondContact OE1-NE 2.88Å; E38-R42 IonicContact OE1-NH2 2.72Å; E38-R42 PolarHBondContact OE1-NH2 2.93Å; L39-R42 PolarHBondContact O-N 2.81Å; F40-R42 VanDerWaalsContact C-N 3.33Å; F40-R42 PolarHBondContact O-N 2.81Å; R42-I44 VanDerWaalsContact C-N 3.27Å; R42-I44 PolarHBondContact O-N 2.88Å; R42-S45 PolarHBondContact O-N 3.43Å; R42-L46 WeakPolarHBondContact O-CG 3.41Å; R42-L46 PolarHBondContact O-N 3.5Å; R42-Y271 PolarHBondContact NH1-O 3.43Å
43F83Confident76.4Confident40 Ų4056 Ų5618%0.17530%0.302CS..Hα-helixtrans-59.3-38.9-178.7-171.6-99.1000111.6L39 F40 R66 T69 F70L39-F43 WeakPolarHBondContact O-CB 3.28Å; L39-F43 PolarHBondContact O-N 2.75Å; F40-F43 PolarHBondContact O-N 2.97Å; F43-R66 HydrophobicContact CD1-CB 4.15Å; F43-R66 HydrophobicContact CE1-CB 3.85Å; F43-R66 HydrophobicContact CE1-CG 4.36Å; F43-R66 VanDerWaalsContact CE1-O 3.26Å; F43-R66 WeakPolarHBondContact CE1-O 3.44Å; F43-R66 PolarHBondContact O-NE 2.85Å; F43-R66 PolarHBondContact O-NH2 3.05Å; F43-T69 HydrophobicContact CE1-CG2 4.48Å; F43-T69 HydrophobicContact CZ-CG2 4.14Å; F43-F70 HydrophobicContact CB-CD2 4.03Å; F43-F70 HydrophobicContact CD1-CB 3.89Å; F43-F70 HydrophobicContact CD1-CD2 4.24Å; F43-F70 HydrophobicContact CE1-CB 4.18Å; F43-F70 HydrophobicContact CG-CD2 4.06Å
44I80.5Confident74.8Confident6 Ų657.9 Ų57.93%0.03131%0.311CS..Hα-helixtrans-81.5-32.7176.869.2177.8000113L16 F40 L41 R42 A47 L63 R66L16-I44 HydrophobicContact CD1-CD1 3.25Å; F40-I44 HydrophobicContact CD1-CD1 4.11Å; F40-I44 HydrophobicContact CD2-CG2 4.45Å; F40-I44 HydrophobicContact CE1-CD1 3.75Å; F40-I44 HydrophobicContact CE1-CG2 4.18Å; F40-I44 HydrophobicContact CE2-CG2 4.13Å; F40-I44 HydrophobicContact CZ-CD1 4.44Å; F40-I44 HydrophobicContact CZ-CG2 3.97Å; F40-I44 WeakPolarHBondContact O-CG1 3.26Å; F40-I44 WeakPolarHBondContact O-CG2 3.48Å; F40-I44 PolarHBondContact O-N 2.99Å; L41-I44 HydrophobicContact CD2-CD1 4.21Å; L41-I44 VanDerWaalsContact O-CG1 3.29Å; L41-I44 WeakPolarHBondContact O-CG1 3.46Å; R42-I44 VanDerWaalsContact C-N 3.27Å; R42-I44 PolarHBondContact O-N 2.88Å; I44-A47 VanDerWaalsContact O-CB 3.23Å; I44-A47 WeakPolarHBondContact O-CB 3.39Å; I44-A47 PolarHBondContact O-N 2.93Å; I44-L63 HydrophobicContact CB-CD2 3.9Å; I44-L63 HydrophobicContact CG1-CD2 4.45Å; I44-R66 HydrophobicContact CG2-CB 4.34Å
45S74.1Confident73.6Confident69 Ų6961.7 Ų61.748%0.48333%0.327SS..Hα-helixtrans-74.7-28.1-175.7-60.50000113.1L41 R42 A47L41-S45 WeakPolarHBondContact O-CB 3.49Å; L41-S45 PolarHBondContact O-N 3.07Å; L41-S45 PolarHBondContact O-OG 3.46Å; R42-S45 PolarHBondContact O-N 3.43Å; S45-A47 PolarHBondContact O-N 3.4Å; S45-A47 VanDerWaalsContact O-N 3.1Å
46L66.9Low72.6Confident104 Ų10466.1 Ų66.155%0.54535%0.346SS..THydrogen-bonded Turntrans-68.32.4170.8-71.7172.9000113.2R42 S48R42-L46 WeakPolarHBondContact O-CG 3.41Å; R42-L46 PolarHBondContact O-N 3.5Å; L46-S48 PolarHBondContact O-N 3.37Å
47A61.1Low71.9Confident14 Ų1467.9 Ų67.912%0.11636%0.357CS..  trans-65.387.3159.900000107.6I44 S45 L49 V62I44-A47 VanDerWaalsContact O-CB 3.23Å; I44-A47 WeakPolarHBondContact O-CB 3.39Å; I44-A47 PolarHBondContact O-N 2.93Å; S45-A47 PolarHBondContact O-N 3.4Å; S45-A47 VanDerWaalsContact O-N 3.1Å; A47-L49 VanDerWaalsContact C-N 3.26Å; A47-L49 PolarHBondContact O-N 3.09Å; A47-V62 HydrophobicContact CB-CG1 4.15Å
48S54.8Low71.2Confident84 Ų8470.6 Ų70.659%0.58737%0.37SS*.  trans-53.7102.7159.9-51.40000105.9L46 D50L46-S48 PolarHBondContact O-N 3.37Å; S48-D50 VanDerWaalsContact CB-OD1 3.25Å; S48-D50 WeakPolarHBondContact CB-OD1 3.48Å; S48-D50 WeakPolarHBondContact CB-OD2 3.48Å; S48-D50 PolarHBondContact O-N 3.01Å
49L55.3Low70.4Confident24 Ų2468.3 Ų68.313%0.12636%0.361CS..  trans-72.153.2175.5-70.8165.6000107.7K5 A47 H51 C59K5-L49 PolarHBondContact NZ-O 3.3Å; A47-L49 VanDerWaalsContact C-N 3.26Å; A47-L49 PolarHBondContact O-N 3.09Å; L49-H51 PolarHBondContact O-N 3.2Å; L49-C59 VanDerWaalsContact CD1-SG 3.59Å; L49-C59 HydrophobicContact CD2-CB 4.06Å; L49-C59 WeakPolarHBondContact CD2-SG 3.43Å
50D55.5Low69.9Low121 Ų12170.7 Ų70.765%0.64737%0.374SS*.  trans-65.5-3.7-162.4-76.1-28.9000113.9S48 P52S48-D50 VanDerWaalsContact CB-OD1 3.25Å; S48-D50 WeakPolarHBondContact CB-OD1 3.48Å; S48-D50 WeakPolarHBondContact CB-OD2 3.48Å; S48-D50 PolarHBondContact O-N 3.01Å; D50-P52 VanDerWaalsContact O-CD 3.23Å; D50-P52 WeakPolarHBondContact O-CD 3.35Å
51H56.5Low69.6Low122 Ų12272.3 Ų72.357%0.56539%0.385SS*.  trans-97.9106.6175.6-60.1-45.5000110.5L49 H53 Q54L49-H51 PolarHBondContact O-N 3.2Å; H51-H53 PolarHBondContact O-N 3.24Å; H51-Q54 HydrophobicContact CB-CG 3.89Å; H51-Q54 PolarHBondContact O-N 3.04Å
52P54Low69.4Low87 Ų8773 Ų7357%0.56539%0.39SS*.THydrogen-bonded Turntrans-62.3-10.1178.622.4-31.4000114.1D50D50-P52 VanDerWaalsContact O-CD 3.23Å; D50-P52 WeakPolarHBondContact O-CD 3.35Å
53H56.6Low69.4Low154 Ų15470.6 Ų70.671%0.71338%0.384SS*.THydrogen-bonded Turntrans-105.45.9-178.5-59.1-68.3000114.6H51 I55H51-H53 PolarHBondContact O-N 3.24Å; H53-I55 PolarHBondContact O-N 2.82Å
54Q59.1Low69.5Low67 Ų6773.3 Ų73.331%0.31340%0.399SS..  trans-67.2126.8180-92.6175.7-000111.6H51 D58H51-Q54 HydrophobicContact CB-CG 3.89Å; H51-Q54 PolarHBondContact O-N 3.04Å; Q54-D58 HydrophobicContact CB-CB 4.19Å; Q54-D58 HydrophobicContact CG-CB 3.89Å
55I69.8Low70Confident119 Ų11978.4 Ų78.461%0.6143%0.426SS*.  trans-68.4150.3172.8-61.1168.6000107.5H53 S57 D58 C59H53-I55 PolarHBondContact O-N 2.82Å; I55-S57 PolarHBondContact O-N 2.97Å; I55-D58 PolarHBondContact N-OD2 3.39Å; I55-D58 WeakPolarHBondContact O-CB 3.42Å; I55-D58 PolarHBondContact O-N 2.8Å; I55-C59 PolarHBondContact O-N 2.97Å
56F71.9Confident70.6Confident94 Ų9478.4 Ų78.441%0.41242%0.415SS..Hα-helixtrans-47.5-37.4176.1174.1-97.7000112.9Y8 I12 D58 C59 L60Y8-F56 AromaticContact CD1-CD2 3.59Å; Y8-F56 HydrophobicContact CD1-CD2 3.59Å; Y8-F56 AromaticContact CD1-CE2 3.8Å; Y8-F56 HydrophobicContact CD1-CE2 3.8Å; Y8-F56 HydrophobicContact CD2-CD2 4.38Å; Y8-F56 HydrophobicContact CE1-CD2 4.03Å; Y8-F56 HydrophobicContact CE1-CE2 4.43Å; Y8-F56 AromaticContact CG-CD2 3.81Å; Y8-F56 HydrophobicContact CG-CD2 3.81Å; Y8-F56 HydrophobicContact CG-CE2 4.27Å; I12-F56 HydrophobicContact CD1-CE2 4.26Å; F56-D58 PolarHBondContact O-N 3.47Å; F56-C59 PolarHBondContact O-N 3.16Å; F56-L60 HydrophobicContact CE1-CD2 4.25Å; F56-L60 WeakPolarHBondContact O-CB 3.27Å; F56-L60 PolarHBondContact O-N 2.85Å
57S76.4Confident71.7Confident62 Ų6273.9 Ų73.943%0.43439%0.393SS..Hα-helixtrans-57.1-44.1174.5-169.40000112.8I55 L60 N61I55-S57 PolarHBondContact O-N 2.97Å; S57-L60 PolarHBondContact O-N 3.29Å; S57-N61 WeakPolarHBondContact O-CB 3.43Å; S57-N61 VanDerWaalsContact O-CG 3.22Å; S57-N61 PolarHBondContact O-N 3.48Å; S57-N61 PolarHBondContact O-ND2 3.08Å; S57-N61 VanDerWaalsContact O-ND2 3.13Å
58D77.8Confident73.2Confident66 Ų6679.6 Ų79.635%0.35342%0.416SS..Hα-helixtrans-67.8-43.8179.8-56.8-34.1000110.8Q54 I55 F56 L60 N61 V62Q54-D58 HydrophobicContact CB-CB 4.19Å; Q54-D58 HydrophobicContact CG-CB 3.89Å; I55-D58 PolarHBondContact N-OD2 3.39Å; I55-D58 WeakPolarHBondContact O-CB 3.42Å; I55-D58 PolarHBondContact O-N 2.8Å; F56-D58 PolarHBondContact O-N 3.47Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 2.97Å; D58-N61 PolarHBondContact O-N 3.39Å; D58-V62 WeakPolarHBondContact O-CG2 3.46Å; D58-V62 PolarHBondContact O-N 3.08Å
59C74.5Confident75Confident14 Ų1478.1 Ų78.110%0.09540%0.403CS..Hα-helixtrans-58.6-45.2175.2-174.10000111.1L49 I55 F56 V62 L63L49-C59 VanDerWaalsContact CD1-SG 3.59Å; L49-C59 HydrophobicContact CD2-CB 4.06Å; L49-C59 WeakPolarHBondContact CD2-SG 3.43Å; I55-C59 PolarHBondContact O-N 2.97Å; F56-C59 PolarHBondContact O-N 3.16Å; C59-V62 PolarHBondContact O-N 3.35Å; C59-L63 VanDerWaalsContact O-CG 3.3Å; C59-L63 WeakPolarHBondContact O-CG 3.32Å; C59-L63 PolarHBondContact O-N 3.24Å
60L79.7Confident76.7Confident66 Ų6678.1 Ų78.135%0.34640%0.402SS..Hα-helixtrans-64.2-42.7177-178.461.6000111.6F56 S57 D58 V62 L63 L64F56-L60 HydrophobicContact CE1-CD2 4.25Å; F56-L60 WeakPolarHBondContact O-CB 3.27Å; F56-L60 PolarHBondContact O-N 2.85Å; S57-L60 PolarHBondContact O-N 3.29Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 2.97Å; L60-V62 VanDerWaalsContact C-N 3.35Å; L60-V62 PolarHBondContact O-N 3.49Å; L60-L63 PolarHBondContact O-N 3.47Å; L60-L64 HydrophobicContact CD1-CD1 4.37Å; L60-L64 HydrophobicContact CD1-CG 4.24Å; L60-L64 HydrophobicContact CG-CD1 4.05Å; L60-L64 HydrophobicContact CG-CG 4.36Å; L60-L64 WeakPolarHBondContact O-CB 3.41Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.36Å; L60-L64 PolarHBondContact O-N 3.37Å
61N84.1Confident78.4Confident90 Ų9077.8 Ų77.848%0.48140%0.4SS..Hα-helixtrans-61.1-42.1176.8-75.6-32.7000112S57 D58 L64 L65S57-N61 WeakPolarHBondContact O-CB 3.43Å; S57-N61 VanDerWaalsContact O-CG 3.22Å; S57-N61 PolarHBondContact O-N 3.48Å; S57-N61 PolarHBondContact O-ND2 3.08Å; S57-N61 VanDerWaalsContact O-ND2 3.13Å; D58-N61 PolarHBondContact O-N 3.39Å; N61-L64 PolarHBondContact O-N 2.91Å; N61-L65 VanDerWaalsContact O-CB 3.29Å; N61-L65 WeakPolarHBondContact O-CB 3.47Å; N61-L65 PolarHBondContact O-N 3.39Å
62V82.6Confident80.2Confident50 Ų5077.8 Ų77.830%0.30340%0.4SS..Hα-helixtrans-62.1-45.7174.9171.50000110.9A47 D58 C59 L60 L65 R66A47-V62 HydrophobicContact CB-CG1 4.15Å; D58-V62 WeakPolarHBondContact O-CG2 3.46Å; D58-V62 PolarHBondContact O-N 3.08Å; C59-V62 PolarHBondContact O-N 3.35Å; L60-V62 VanDerWaalsContact C-N 3.35Å; L60-V62 PolarHBondContact O-N 3.49Å; V62-L65 PolarHBondContact O-N 3.14Å; V62-R66 WeakPolarHBondContact O-CG 3.37Å; V62-R66 PolarHBondContact O-N 3.38Å
63L82.5Confident82Confident30 Ų3080.7 Ų80.716%0.15740%0.4CS..Hα-helixtrans-63.3-43.7178.1-70.3169.8000112.1I12 I44 C59 L60 R66 G67I12-L63 HydrophobicContact CD1-CD1 3.56Å; I12-L63 HydrophobicContact CG2-CD1 4.12Å; I44-L63 HydrophobicContact CB-CD2 3.9Å; I44-L63 HydrophobicContact CG1-CD2 4.45Å; C59-L63 VanDerWaalsContact O-CG 3.3Å; C59-L63 WeakPolarHBondContact O-CG 3.32Å; C59-L63 PolarHBondContact O-N 3.24Å; L60-L63 PolarHBondContact O-N 3.47Å; L63-R66 PolarHBondContact O-N 2.91Å; L63-G67 PolarHBondContact O-N 2.92Å
64L86.7Confident83.7Confident97 Ų9775.3 Ų75.351%0.50838%0.377SS..Hα-helixtrans-64.2-42.2176.7-72.9174.9000111.9L60 N61 G67 K68L60-L64 HydrophobicContact CD1-CD1 4.37Å; L60-L64 HydrophobicContact CD1-CG 4.24Å; L60-L64 HydrophobicContact CG-CD1 4.05Å; L60-L64 HydrophobicContact CG-CG 4.36Å; L60-L64 WeakPolarHBondContact O-CB 3.41Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.36Å; L60-L64 PolarHBondContact O-N 3.37Å; N61-L64 PolarHBondContact O-N 2.91Å; L64-G67 PolarHBondContact O-N 3.17Å; L64-K68 WeakPolarHBondContact O-CG 3.28Å; L64-K68 PolarHBondContact O-N 2.91Å
65L89.7Confident85.3Confident112 Ų11275 Ų7559%0.58639%0.386SS*.Hα-helixtrans-61.2-49.6176.4178.161.5000110.7N61 V62 G67 K68 T69N61-L65 VanDerWaalsContact O-CB 3.29Å; N61-L65 WeakPolarHBondContact O-CB 3.47Å; N61-L65 PolarHBondContact O-N 3.39Å; V62-L65 PolarHBondContact O-N 3.14Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.1Å; L65-K68 PolarHBondContact O-N 3.43Å; L65-T69 PolarHBondContact O-N 3.02Å; L65-T69 PolarHBondContact O-OG1 3.13Å; L65-T69 VanDerWaalsContact O-OG1 3.05Å
66R87.1Confident86.5Confident70 Ų7073.5 Ų73.526%0.26438%0.38SS..Hα-helixtrans-61.5-40176.5-70-177.979.699.2-1.5111.6F43 I44 V62 L63 K68 T69 F70F43-R66 HydrophobicContact CD1-CB 4.15Å; F43-R66 HydrophobicContact CE1-CB 3.85Å; F43-R66 HydrophobicContact CE1-CG 4.36Å; F43-R66 VanDerWaalsContact CE1-O 3.26Å; F43-R66 WeakPolarHBondContact CE1-O 3.44Å; F43-R66 PolarHBondContact O-NE 2.85Å; F43-R66 PolarHBondContact O-NH2 3.05Å; I44-R66 HydrophobicContact CG2-CB 4.34Å; V62-R66 WeakPolarHBondContact O-CG 3.37Å; V62-R66 PolarHBondContact O-N 3.38Å; L63-R66 PolarHBondContact O-N 2.91Å; R66-K68 PolarHBondContact O-N 3.02Å; R66-T69 PolarHBondContact O-N 2.98Å; R66-F70 PolarHBondContact O-N 3.4Å
67G89.9Confident87.6Confident8 Ų869.2 Ų69.28%0.08236%0.361CS..Hα-helixtrans-59.7-44.8175.600000112.4L63 L64 L65 F70 L71L63-G67 PolarHBondContact O-N 2.92Å; L64-G67 PolarHBondContact O-N 3.17Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.1Å; G67-F70 PolarHBondContact O-N 3.17Å; G67-L71 WeakPolarHBondContact O-CG 3.45Å; G67-L71 PolarHBondContact O-N 3.05Å
68K92.3Very high88.6Confident135 Ų13570.5 Ų70.559%0.58736%0.356SS*.Hα-helixtrans-62.1-45.3173.1-71.2177.8-179-179.30111.7L64 L65 R66 F70 L71 H72L64-K68 WeakPolarHBondContact O-CG 3.28Å; L64-K68 PolarHBondContact O-N 2.91Å; L65-K68 PolarHBondContact O-N 3.43Å; R66-K68 PolarHBondContact O-N 3.02Å; K68-F70 VanDerWaalsContact C-N 3.3Å; K68-F70 PolarHBondContact O-N 3.12Å; K68-L71 PolarHBondContact O-N 3.45Å; K68-H72 PolarHBondContact O-CD2 3.48Å; K68-H72 PolarHBondContact O-N 3.22Å
69T92Very high89.5Confident52 Ų5274.5 Ų74.532%0.31937%0.367SS..Hα-helixtrans-58.7-41.8176.9-56.30000111.9F43 L65 R66 H72 R73F43-T69 HydrophobicContact CE1-CG2 4.48Å; F43-T69 HydrophobicContact CZ-CG2 4.14Å; L65-T69 PolarHBondContact O-N 3.02Å; L65-T69 PolarHBondContact O-OG1 3.13Å; L65-T69 VanDerWaalsContact O-OG1 3.05Å; R66-T69 PolarHBondContact O-N 2.98Å; T69-H72 PolarHBondContact O-N 3.33Å; T69-R73 WeakPolarHBondContact O-CG 3.42Å; T69-R73 PolarHBondContact O-N 3.45Å
70F91.5Very high90.6Very high24 Ų2478.8 Ų78.811%0.10538%0.384CS..Hα-helixtrans-61.8-47.9175.8-178.8-90.8000111.4L39 F40 F43 R66 G67 K68 H72 R73 V74 V203L39-F70 HydrophobicContact CB-CE2 4.04Å; L39-F70 HydrophobicContact CB-CZ 4.21Å; F40-F70 HydrophobicContact CB-CD1 4.39Å; F40-F70 HydrophobicContact CB-CE1 4.01Å; F40-F70 HydrophobicContact CB-CE2 4.43Å; F40-F70 HydrophobicContact CB-CZ 4.04Å; F40-F70 HydrophobicContact CD2-CB 4.23Å; F40-F70 AromaticContact CD2-CD1 3.62Å; F40-F70 HydrophobicContact CD2-CD1 3.62Å; F40-F70 HydrophobicContact CD2-CE1 4.05Å; F40-F70 AromaticContact CD2-CG 3.9Å; F40-F70 HydrophobicContact CD2-CG 3.9Å; F40-F70 HydrophobicContact CE2-CD1 4.45Å; F40-F70 HydrophobicContact CG-CD1 4.5Å; F43-F70 HydrophobicContact CB-CD2 4.03Å; F43-F70 HydrophobicContact CD1-CB 3.89Å; F43-F70 HydrophobicContact CD1-CD2 4.24Å; F43-F70 HydrophobicContact CE1-CB 4.18Å; F43-F70 HydrophobicContact CG-CD2 4.06Å; R66-F70 PolarHBondContact O-N 3.4Å; G67-F70 PolarHBondContact O-N 3.17Å; K68-F70 VanDerWaalsContact C-N 3.3Å; K68-F70 PolarHBondContact O-N 3.12Å; F70-H72 VanDerWaalsContact C-N 3.34Å; F70-H72 PolarHBondContact O-N 3.24Å; F70-R73 PolarHBondContact O-N 3.44Å; F70-V74 HydrophobicContact CD1-CG2 4.04Å; F70-V74 HydrophobicContact CE1-CG2 3.67Å; F70-V74 HydrophobicContact CE2-CG2 4.48Å; F70-V74 HydrophobicContact CZ-CG2 3.92Å; F70-V74 WeakPolarHBondContact O-CG2 3.49Å; F70-V74 PolarHBondContact O-N 3.47Å; F70-V203 HydrophobicContact CZ-CG2 3.89Å
71L92.2Very high91.5Very high114 Ų11475.6 Ų75.660%0.59737%0.368SS*.Hα-helixtrans-59-43.5177.3-71.4171.3000112.3G67 K68 V74 A75G67-L71 WeakPolarHBondContact O-CG 3.45Å; G67-L71 PolarHBondContact O-N 3.05Å; K68-L71 PolarHBondContact O-N 3.45Å; L71-V74 PolarHBondContact O-N 2.9Å; L71-A75 WeakPolarHBondContact O-CB 3.17Å; L71-A75 PolarHBondContact O-N 2.99Å
72H93.4Very high92.2Very high122 Ų12271.4 Ų71.457%0.56535%0.346SS*.Hα-helixtrans-60.1-46.5174.9-79-66.9000111.8K68 T69 F70 V74 A75 D76K68-H72 PolarHBondContact O-CD2 3.48Å; K68-H72 PolarHBondContact O-N 3.22Å; T69-H72 PolarHBondContact O-N 3.33Å; F70-H72 VanDerWaalsContact C-N 3.34Å; F70-H72 PolarHBondContact O-N 3.24Å; H72-V74 VanDerWaalsContact C-N 3.34Å; H72-V74 PolarHBondContact O-N 3.2Å; H72-A75 PolarHBondContact O-N 3.3Å; H72-D76 WeakPolarHBondContact O-CB 3.45Å; H72-D76 VanDerWaalsContact O-CG 3.25Å; H72-D76 PolarHBondContact O-N 3.37Å
73R91.6Very high92.9Very high149 Ų14970.9 Ų70.956%0.56234%0.344SS*.Hα-helixtrans-59.5-43.7177.2-73.9177.7177.8-162.6-0.8112.3T69 F70 D76 S77T69-R73 WeakPolarHBondContact O-CG 3.42Å; T69-R73 PolarHBondContact O-N 3.45Å; F70-R73 PolarHBondContact O-N 3.44Å; R73-D76 PolarHBondContact O-N 2.86Å; R73-S77 PolarHBondContact O-N 3.42Å; R73-S77 VanDerWaalsContact O-N 3.08Å
74V92.7Very high93.7Very high40 Ų4072.2 Ų72.224%0.24235%0.351CS..Hα-helixtrans-65.2-40.3177.1173.10000111F70 L71 H72 S77 V203F70-V74 HydrophobicContact CD1-CG2 4.04Å; F70-V74 HydrophobicContact CE1-CG2 3.67Å; F70-V74 HydrophobicContact CE2-CG2 4.48Å; F70-V74 HydrophobicContact CZ-CG2 3.92Å; F70-V74 WeakPolarHBondContact O-CG2 3.49Å; F70-V74 PolarHBondContact O-N 3.47Å; L71-V74 PolarHBondContact O-N 2.9Å; H72-V74 VanDerWaalsContact C-N 3.34Å; H72-V74 PolarHBondContact O-N 3.2Å; V74-S77 WeakPolarHBondContact O-CB 3.26Å; V74-S77 PolarHBondContact O-N 3.43Å; V74-S77 PolarHBondContact O-OG 2.96Å; V74-V203 HydrophobicContact CG1-CG1 4.31Å; V74-V203 HydrophobicContact CG2-CB 4.26Å; V74-V203 HydrophobicContact CG2-CG2 4Å
75A91.9Very high94.2Very high60 Ų6067.7 Ų67.750%0.49633%0.327SS..Hα-helixtrans-64.5-45.3176.700000112.2L71 H72 S77L71-A75 WeakPolarHBondContact O-CB 3.17Å; L71-A75 PolarHBondContact O-N 2.99Å; H72-A75 PolarHBondContact O-N 3.3Å; A75-S77 VanDerWaalsContact C-N 3.26Å; A75-S77 PolarHBondContact O-N 3.28Å
76D95.2Very high94.5Very high89 Ų8966.5 Ų66.548%0.47632%0.315SS..Hα-helixtrans-69.2-24.1-178.3-67.4-15.9000113H72 R73 R78 Y79 K80H72-D76 WeakPolarHBondContact O-CB 3.45Å; H72-D76 VanDerWaalsContact O-CG 3.25Å; H72-D76 PolarHBondContact O-N 3.37Å; R73-D76 PolarHBondContact O-N 2.86Å; D76-R78 VanDerWaalsContact C-N 3.26Å; D76-R78 PolarHBondContact O-N 3.47Å; D76-Y79 PolarHBondContact O-N 3.49Å; D76-Y79 VanDerWaalsContact O-N 3.14Å; D76-K80 PolarHBondContact O-N 3.09Å; D76-K80 VanDerWaalsContact O-N 3.16Å
77S96.3Very high94.9Very high3 Ų366.5 Ų66.52%0.02132%0.324CS..Hα-helixtrans-53.7-42.1-178.170.10000112.5R73 V74 A75 Y79 K80 I81 E201R73-S77 PolarHBondContact O-N 3.42Å; R73-S77 VanDerWaalsContact O-N 3.08Å; V74-S77 WeakPolarHBondContact O-CB 3.26Å; V74-S77 PolarHBondContact O-N 3.43Å; V74-S77 PolarHBondContact O-OG 2.96Å; A75-S77 VanDerWaalsContact C-N 3.26Å; A75-S77 PolarHBondContact O-N 3.28Å; S77-Y79 VanDerWaalsContact C-N 3.33Å; S77-Y79 PolarHBondContact O-N 3.44Å; S77-K80 WeakPolarHBondContact O-CB 3.44Å; S77-K80 PolarHBondContact O-N 3.1Å; S77-I81 WeakPolarHBondContact O-CD1 3.47Å; S77-I81 VanDerWaalsContact O-CG1 3.26Å; S77-I81 WeakPolarHBondContact O-CG1 3.36Å; S77-I81 PolarHBondContact O-N 2.74Å; S77-E201 VanDerWaalsContact OG-CG 3.27Å; S77-E201 WeakPolarHBondContact OG-CG 3.16Å
78R96.2Very high95.3Very high89 Ų8969.2 Ų69.234%0.33633%0.334SS..Hα-helixtrans-65-38.1-178.1-62.8-178.5-174.6146.67.5112.3D76 I81 A82 V103 N106 E201D76-R78 VanDerWaalsContact C-N 3.26Å; D76-R78 PolarHBondContact O-N 3.47Å; R78-I81 PolarHBondContact O-N 2.89Å; R78-A82 WeakPolarHBondContact O-CB 3.42Å; R78-A82 PolarHBondContact O-N 3.1Å; R78-V103 HydrophobicContact CB-CG2 4.44Å; R78-V103 HydrophobicContact CG-CB 4.33Å; R78-V103 HydrophobicContact CG-CG2 4.44Å; R78-N106 WeakPolarHBondContact CB-ND2 3.46Å; R78-E201 HydrophobicContact CG-CG 4.08Å; R78-E201 WeakPolarHBondContact CG-OE1 3.13Å; R78-E201 IonicContact CZ-OE1 3.5Å; R78-E201 IonicContact NE-OE1 3.56Å; R78-E201 PolarHBondContact NE-OE1 3.15Å; R78-E201 IonicContact NH2-OE1 2.83Å
79Y97.1Very high95.6Very high150 Ų15062.9 Ų62.959%0.58831%0.306SS*.Hα-helixtrans-68.1-41.7177.3-178.2-104000111D76 S77 I81 A82 C83 L110D76-Y79 PolarHBondContact O-N 3.49Å; D76-Y79 VanDerWaalsContact O-N 3.14Å; S77-Y79 VanDerWaalsContact C-N 3.33Å; S77-Y79 PolarHBondContact O-N 3.44Å; Y79-I81 VanDerWaalsContact C-N 3.34Å; Y79-I81 PolarHBondContact O-N 2.94Å; Y79-A82 WeakPolarHBondContact O-CB 2.77Å; Y79-A82 PolarHBondContact O-N 3.44Å; Y79-C83 PolarHBondContact O-N 3.32Å; Y79-C83 PolarHBondContact O-SG 3.36Å; Y79-C83 VanDerWaalsContact O-SG 3.36Å; Y79-L110 HydrophobicContact CE2-CD1 4.39Å
80K98.1Very high95.8Very high104 Ų10468.8 Ų68.845%0.45232%0.323SS..Hα-helixtrans-58.8-45.2174-66.3177.4-179.7178.40111.9D76 S77 A82 C83 L84 D254D76-K80 PolarHBondContact O-N 3.09Å; D76-K80 VanDerWaalsContact O-N 3.16Å; S77-K80 WeakPolarHBondContact O-CB 3.44Å; S77-K80 PolarHBondContact O-N 3.1Å; K80-A82 PolarHBondContact O-N 2.72Å; K80-C83 WeakPolarHBondContact O-CB 3.21Å; K80-C83 PolarHBondContact O-N 3.4Å; K80-L84 WeakPolarHBondContact O-CG 3.33Å; K80-L84 PolarHBondContact O-N 2.66Å; K80-D254 HydrophobicContact CB-CB 4.33Å; K80-D254 HydrophobicContact CD-CB 4.26Å
81I98.5Very high96.1Very high0 Ų073.2 Ų73.20%035%0.347CS..Hα-helixtrans-63.1-42.2177.7-66.3162.3000111.4S77 R78 Y79 C83 L84 S85 V103 L199 A200 E201 F252 D254S77-I81 WeakPolarHBondContact O-CD1 3.47Å; S77-I81 VanDerWaalsContact O-CG1 3.26Å; S77-I81 WeakPolarHBondContact O-CG1 3.36Å; S77-I81 PolarHBondContact O-N 2.74Å; R78-I81 PolarHBondContact O-N 2.89Å; Y79-I81 VanDerWaalsContact C-N 3.34Å; Y79-I81 PolarHBondContact O-N 2.94Å; I81-C83 VanDerWaalsContact C-N 3.35Å; I81-C83 PolarHBondContact O-N 3.14Å; I81-L84 PolarHBondContact O-N 3.04Å; I81-S85 WeakPolarHBondContact O-CB 3.48Å; I81-S85 PolarHBondContact O-N 3.2Å; I81-S85 PolarHBondContact O-OG 2.72Å; I81-V103 HydrophobicContact CB-CG2 3.78Å; I81-V103 HydrophobicContact CD1-CG2 3.81Å; I81-V103 HydrophobicContact CG1-CG2 4.4Å; I81-V103 HydrophobicContact CG2-CG2 3.46Å; I81-V103 VanDerWaalsContact CG2-CG2 3.46Å; I81-L199 HydrophobicContact CG2-CB 3.95Å; I81-L199 HydrophobicContact CG2-CD2 4.16Å; I81-L199 HydrophobicContact CG2-CG 3.74Å; I81-A200 WeakPolarHBondContact CD1-O 3.15Å; I81-E201 HydrophobicContact CD1-CB 4.38Å; I81-E201 HydrophobicContact CD1-CG 3.99Å; I81-F252 HydrophobicContact CG2-CB 4.05Å; I81-F252 WeakPolarHBondContact CG2-O 3.49Å; I81-D254 HydrophobicContact CG1-CB 4.37Å
82A98.1Very high96.3Very high1 Ų170.2 Ų70.21%0.00834%0.344CS..Hα-helixtrans-57.9-47.4174.100000111.1R78 Y79 K80 L84 S85 R86 N106 A107 L110R78-A82 WeakPolarHBondContact O-CB 3.42Å; R78-A82 PolarHBondContact O-N 3.1Å; Y79-A82 WeakPolarHBondContact O-CB 2.77Å; Y79-A82 PolarHBondContact O-N 3.44Å; K80-A82 PolarHBondContact O-N 2.72Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 3.23Å; A82-S85 PolarHBondContact O-N 2.89Å; A82-S85 PolarHBondContact O-OG 2.98Å; A82-R86 VanDerWaalsContact O-CB 3.25Å; A82-R86 WeakPolarHBondContact O-CB 2.94Å; A82-R86 PolarHBondContact O-N 3.01Å; A82-N106 HydrophobicContact CB-CB 4.45Å; A82-A107 HydrophobicContact CB-CB 4.21Å; A82-L110 HydrophobicContact CB-CB 4.27Å; A82-L110 HydrophobicContact CB-CD2 3.68Å
83C98.2Very high96.6Very high40 Ų4064.9 Ų64.927%0.2732%0.32SS..Hα-helixtrans-60.7-38.4177.5-70.30000113.4Y79 K80 I81Y79-C83 PolarHBondContact O-N 3.32Å; Y79-C83 PolarHBondContact O-SG 3.36Å; Y79-C83 VanDerWaalsContact O-SG 3.36Å; K80-C83 WeakPolarHBondContact O-CB 3.21Å; K80-C83 PolarHBondContact O-N 3.4Å; I81-C83 VanDerWaalsContact C-N 3.35Å; I81-C83 PolarHBondContact O-N 3.14Å
84L98.3Very high96.9Very high58 Ų5862.9 Ų62.930%0.30431%0.313SS..Hα-helixtrans-74.7-36.8-179.5-71.5168.3000113.4K80 I81 A82 P87 F252 T253 I257K80-L84 WeakPolarHBondContact O-CG 3.33Å; K80-L84 PolarHBondContact O-N 2.66Å; I81-L84 PolarHBondContact O-N 3.04Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 3.23Å; L84-P87 VanDerWaalsContact O-CD 3.28Å; L84-P87 WeakPolarHBondContact O-CD 3.39Å; L84-F252 HydrophobicContact CB-CD1 4.3Å; L84-T253 WeakPolarHBondContact CD1-O 3.39Å; L84-I257 HydrophobicContact CB-CG1 4.23Å; L84-I257 HydrophobicContact CD2-CG1 4.35Å
85S97.7Very high97.2Very high1 Ų161 Ų611%0.00730%0.301CS..Hα-helixtrans-79.6-26.3178.555.80000112.9I81 A82 P87 F88 A107 F252I81-S85 WeakPolarHBondContact O-CB 3.48Å; I81-S85 PolarHBondContact O-N 3.2Å; I81-S85 PolarHBondContact O-OG 2.72Å; A82-S85 PolarHBondContact O-N 2.89Å; A82-S85 PolarHBondContact O-OG 2.98Å; S85-P87 VanDerWaalsContact C-CD 3.44Å; S85-F88 WeakPolarHBondContact O-CB 3.37Å; S85-F88 PolarHBondContact O-N 2.6Å; S85-A107 WeakPolarHBondContact OG-CB 3.49Å; S85-F252 VanDerWaalsContact CA-CD1 3.5Å
86R95.7Very high97.5Very high87 Ų8758.1 Ų58.133%0.32828%0.278SS..G310 helixtrans-46.2-44.4-179.4173.6-165.176.2154.31.2115.3A82 F88 I89 E114 K116A82-R86 VanDerWaalsContact O-CB 3.25Å; A82-R86 WeakPolarHBondContact O-CB 2.94Å; A82-R86 PolarHBondContact O-N 3.01Å; R86-F88 PolarHBondContact O-N 2.83Å; R86-I89 PolarHBondContact O-N 2.86Å; R86-I89 VanDerWaalsContact O-O 3.12Å; R86-E114 VanDerWaalsContact CD-OE1 3.28Å; R86-E114 WeakPolarHBondContact CD-OE1 3.47Å; R86-E114 VanDerWaalsContact CD-OE2 3.25Å; R86-E114 WeakPolarHBondContact CD-OE2 3.46Å; R86-E114 IonicContact CZ-OE1 3.73Å; R86-E114 IonicContact CZ-OE2 3.91Å; R86-E114 IonicContact NE-OE1 3.94Å; R86-E114 IonicContact NE-OE2 3.91Å; R86-E114 IonicContact NH1-OE1 2.74Å; R86-E114 PolarHBondContact NH1-OE1 2.77Å; R86-E114 IonicContact NH1-OE2 3.27Å; R86-E114 PolarHBondContact NH1-OE2 3.04Å; R86-K116 PolarHBondContact O-NZ 3.49Å
87P96.4Very high97.7Very high70 Ų7053.9 Ų53.946%0.45526%0.255SS..G310 helixtrans-63.4-20.5179.4-23.136000114.5L84 S85L84-P87 VanDerWaalsContact O-CD 3.28Å; L84-P87 WeakPolarHBondContact O-CD 3.39Å; S85-P87 VanDerWaalsContact C-CD 3.44Å
88F97.6Very high97.8Very high66 Ų6654 Ų5429%0.28926%0.255SS..G310 helixtrans-84-24.2179-69.2-105.1000112.4S85 R86 R90 Y197 L250 F252 I257S85-F88 WeakPolarHBondContact O-CB 3.37Å; S85-F88 PolarHBondContact O-N 2.6Å; R86-F88 PolarHBondContact O-N 2.83Å; F88-R90 PolarHBondContact O-N 3.05Å; F88-Y197 HydrophobicContact CD1-CE2 4.12Å; F88-L250 HydrophobicContact CE1-CD1 3.82Å; F88-L250 HydrophobicContact CZ-CD1 3.95Å; F88-F252 HydrophobicContact CB-CZ 4.37Å; F88-F252 AromaticContact CD1-CZ 3.97Å; F88-F252 HydrophobicContact CD1-CZ 3.97Å; F88-F252 AromaticContact CD2-CE1 3.51Å; F88-F252 HydrophobicContact CD2-CE1 3.51Å; F88-F252 AromaticContact CD2-CZ 3.51Å; F88-F252 HydrophobicContact CD2-CZ 3.51Å; F88-F252 HydrophobicContact CE1-CZ 4.1Å; F88-F252 AromaticContact CE2-CE1 3.53Å; F88-F252 HydrophobicContact CE2-CE1 3.53Å; F88-F252 AromaticContact CE2-CZ 3.67Å; F88-F252 HydrophobicContact CE2-CZ 3.67Å; F88-F252 HydrophobicContact CG-CE1 4.17Å; F88-F252 AromaticContact CG-CZ 3.68Å; F88-F252 HydrophobicContact CG-CZ 3.68Å; F88-F252 HydrophobicContact CZ-CE1 4.17Å; F88-F252 AromaticContact CZ-CZ 3.96Å; F88-F252 HydrophobicContact CZ-CZ 3.96Å; F88-I257 HydrophobicContact CE2-CD1 3.97Å
89I98.1Very high97.8Very high1 Ų150.1 Ų50.11%0.00524%0.243CC..SBendtrans-83.1110.1171.2-59162.5000107.5R86 I95 L108 A111 K116 F118 L164R86-I89 PolarHBondContact O-N 2.86Å; R86-I89 VanDerWaalsContact O-O 3.12Å; I89-I95 HydrophobicContact CG1-CD1 4.05Å; I89-I95 HydrophobicContact CG2-CD1 4.08Å; I89-L108 HydrophobicContact CD1-CD2 3.98Å; I89-A111 HydrophobicContact CB-CB 4.2Å; I89-A111 HydrophobicContact CD1-CB 4Å; I89-A111 HydrophobicContact CG2-CB 3.81Å; I89-K116 WeakPolarHBondContact O-CD 3.44Å; I89-K116 WeakPolarHBondContact O-CE 3.33Å; I89-K116 PolarHBondContact O-NZ 3.27Å; I89-F118 HydrophobicContact CG2-CB 4.46Å; I89-F118 HydrophobicContact CG2-CD1 3.58Å; I89-F118 HydrophobicContact CG2-CE1 3.9Å; I89-F118 HydrophobicContact CG2-CG 3.92Å; I89-F118 HydrophobicContact CG2-CZ 4.49Å; I89-L164 HydrophobicContact CD1-CD2 4.36Å
90R96.9Very high97.8Very high177 Ų17745.7 Ų45.767%0.66823%0.229SC*.  trans-110.3165.8-177.5-61.6-179.7-178.6176.90.9110.7F88 G92 S93F88-R90 PolarHBondContact O-N 3.05Å; R90-G92 PolarHBondContact O-N 3.43Å; R90-S93 PolarHBondContact N-OG 3Å; R90-S93 VanDerWaalsContact O-CB 3.31Å; R90-S93 WeakPolarHBondContact O-CB 3.37Å; R90-S93 PolarHBondContact O-N 3.41Å; R90-S93 VanDerWaalsContact O-N 3.12Å; R90-S93 PolarHBondContact O-OG 2.93Å; R90-S93 VanDerWaalsContact O-OG 3.1Å
91N97.7Very high97.7Very high116 Ų11641.4 Ų41.462%0.6221%0.212SC*.THydrogen-bonded Turntrans-60.5131169.5-80.1-37.7000109.9S93 K116 S117N91-S93 VanDerWaalsContact C-N 3.31Å; N91-K116 VanDerWaalsContact OD1-CA 3.26Å; N91-K116 WeakPolarHBondContact OD1-CA 3.37Å; N91-S117 CarbonylContact C-O 3.5Å; N91-S117 VanDerWaalsContact CA-O 3.31Å; N91-S117 WeakPolarHBondContact CA-O 3.34Å; N91-S117 PolarHBondContact OD1-N 3.18Å
92G97.5Very high97.6Very high52 Ų5245.4 Ų45.454%0.53623%0.231SC..THydrogen-bonded Turntrans80.23.6-176.200000114.9R90 R94 S117R90-G92 PolarHBondContact O-N 3.43Å; G92-R94 PolarHBondContact O-N 3.18Å; G92-S117 PolarHBondContact N-O 3.13Å
93S98.2Very high97.6Very high9 Ų945.4 Ų45.46%0.06323%0.231CC..  trans-61.5136.4177.1-720000111.7R90 N91 F118 D119 D161R90-S93 PolarHBondContact N-OG 3Å; R90-S93 VanDerWaalsContact O-CB 3.31Å; R90-S93 WeakPolarHBondContact O-CB 3.37Å; R90-S93 PolarHBondContact O-N 3.41Å; R90-S93 VanDerWaalsContact O-N 3.12Å; R90-S93 PolarHBondContact O-OG 2.93Å; R90-S93 VanDerWaalsContact O-OG 3.1Å; N91-S93 VanDerWaalsContact C-N 3.31Å; S93-F118 CarbonylContact O-C 3.55Å; S93-F118 VanDerWaalsContact O-CA 3.32Å; S93-F118 WeakPolarHBondContact O-CA 3.47Å; S93-F118 WeakPolarHBondContact O-CB 3.37Å; S93-D119 PolarHBondContact O-N 3.06Å; S93-D161 WeakPolarHBondContact CA-OD2 3.45Å
94R98.6Very high97.6Very high108 Ų10843.6 Ų43.641%0.40822%0.218SC..EExtended strand (participates in β ladder)trans-109.5112.5171.2-65.7177178.7173.61.1109.2G92 D119 Y121 S159 V160 D161G92-R94 PolarHBondContact O-N 3.18Å; R94-D119 HydrophobicContact CG-CB 4.36Å; R94-Y121 HydrophobicContact CB-CE2 4.31Å; R94-S159 WeakPolarHBondContact CD-O 3.41Å; R94-V160 WeakPolarHBondContact O-CB 3.21Å; R94-D161 PolarHBondContact N-OD2 3.48Å; R94-D161 PolarHBondContact O-N 3.33Å
95I98.8Very high97.6Very high0 Ų041.6 Ų41.60%021%0.208CC..EExtended strand (participates in β ladder)trans-114.2122.3-167.1-51.5178.2000109.4I89 L108 F118 D119 Y121 F162 L164I89-I95 HydrophobicContact CG1-CD1 4.05Å; I89-I95 HydrophobicContact CG2-CD1 4.08Å; I95-L108 HydrophobicContact CD1-CD2 3.92Å; I95-F118 HydrophobicContact CD1-CD2 4.21Å; I95-D119 PolarHBondContact N-O 2.91Å; I95-Y121 PolarHBondContact O-N 3.4Å; I95-F162 HydrophobicContact CB-CE2 4.43Å; I95-F162 HydrophobicContact CD1-CE2 4.05Å; I95-F162 HydrophobicContact CD1-CZ 3.71Å; I95-F162 HydrophobicContact CG1-CE1 4.19Å; I95-F162 HydrophobicContact CG1-CE2 3.88Å; I95-F162 HydrophobicContact CG1-CZ 3.6Å; I95-F162 HydrophobicContact CG2-CD2 4.31Å; I95-F162 HydrophobicContact CG2-CE2 3.87Å; I95-F162 HydrophobicContact CG2-CZ 4.47Å; I95-L164 HydrophobicContact CG2-CB 3.55Å; I95-L164 HydrophobicContact CG2-CD2 4.37Å
96L98.8Very high97.6Very high0 Ų044.5 Ų44.50%022%0.223CC..EExtended strand (participates in β ladder)trans-90.1132.2167.7178.761.3000110.1Y121 T123 I148 V153 I156 M157 V160 F162 V163 L164 I185L96-Y121 CarbonylContact C-O 3.57Å; L96-Y121 WeakPolarHBondContact CA-O 3.43Å; L96-T123 HydrophobicContact CD1-CG2 4.47Å; L96-I148 HydrophobicContact CD1-CD1 3.67Å; L96-V153 HydrophobicContact CD2-CG1 4.46Å; L96-I156 HydrophobicContact CD1-CG2 4.19Å; L96-I156 HydrophobicContact CD2-CG2 4.14Å; L96-M157 HydrophobicContact CD2-CE 3.56Å; L96-M157 HydrophobicContact CD2-SD 4.37Å; L96-V160 HydrophobicContact CB-CB 4.27Å; L96-V160 HydrophobicContact CB-CG1 3.96Å; L96-V160 HydrophobicContact CB-CG2 4.01Å; L96-F162 PolarHBondContact N-O 3.26Å; L96-F162 VanDerWaalsContact N-O 3.11Å; L96-V163 HydrophobicContact CB-CG2 4.22Å; L96-V163 HydrophobicContact CD2-CG2 4.21Å; L96-V163 HydrophobicContact CG-CG2 4.5Å; L96-V163 CarbonylContact O-C 3.55Å; L96-V163 VanDerWaalsContact O-CA 3.32Å; L96-V163 WeakPolarHBondContact O-CA 3.18Å; L96-L164 PolarHBondContact O-N 3.35Å; L96-I185 HydrophobicContact CD2-CG2 3.99Å
97T98.7Very high97.7Very high0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-134.5171.6175.6-176.90000112.3L104 V120 Y121 V122 T123 F134 L164T97-L104 HydrophobicContact CG2-CD2 4.02Å; T97-L104 WeakPolarHBondContact OG1-CD2 3.39Å; T97-V120 HydrophobicContact CG2-CG1 3.69Å; T97-Y121 WeakPolarHBondContact CG2-O 3.4Å; T97-Y121 PolarHBondContact N-O 3.35Å; T97-V122 HydrophobicContact CG2-CB 3.84Å; T97-V122 HydrophobicContact CG2-CG2 3.95Å; T97-V122 WeakPolarHBondContact O-CA 3.44Å; T97-T123 PolarHBondContact O-N 2.95Å; T97-F134 HydrophobicContact CG2-CD1 4.21Å; T97-F134 HydrophobicContact CG2-CE1 3.75Å; T97-L164 WeakPolarHBondContact CB-O 3.5Å; T97-L164 PolarHBondContact OG1-O 2.69Å
98H98.5Very high97.8Very high4 Ų437 Ų372%0.01919%0.186CC..  trans-140.7136.1-172.8-17057.5000110.8T123 V165 K179 I180 T182 I185H98-T123 PolarHBondContact ND1-OG1 3.34Å; H98-V165 HydrophobicContact CB-CG1 3.91Å; H98-K179 WeakPolarHBondContact NE2-CB 3.43Å; H98-K179 WeakPolarHBondContact NE2-CG 3.32Å; H98-K179 PolarHBondContact NE2-O 2.9Å; H98-I180 PolarHBondContact CE1-O 2.84Å; H98-I180 PolarHBondContact NE2-O 3.44Å; H98-T182 PolarHBondContact CD2-OG1 3.42Å; H98-T182 VanDerWaalsContact CD2-OG1 3.24Å; H98-I185 HydrophobicContact CB-CD1 3.58Å; H98-I185 VanDerWaalsContact CG-CD1 3.47Å; H98-I185 WeakPolarHBondContact ND1-CD1 3.43Å
99A96.5Very high97.9Very high9 Ų935.5 Ų35.57%0.07418%0.182CC..SBendtrans59.3-170179.700000115.2S125 K179A99-S125 WeakPolarHBondContact CA-OG 3.32Å; A99-S125 PolarHBondContact N-OG 3.09Å; A99-K179 HydrophobicContact CB-CB 3.76Å; A99-K179 HydrophobicContact CB-CG 3.87Å
100N96.6Very high97.9Very high56 Ų5636.5 Ų36.530%0.29919%0.187SC..  trans-102.196.8178.3-177.25.1000111Q102 F134N100-Q102 PolarHBondContact OD1-NE2 2.88Å; N100-F134 HydrophobicContact CB-CB 4.2Å
101S97.2Very high97.9Very high14 Ų1428.1 Ų28.110%0.09816%0.156CC..  trans-107.1122.4179.8171.10000111.8V103 L104 L105 F134S101-V103 WeakPolarHBondContact OG-CG1 3.21Å; S101-L104 PolarHBondContact O-N 3.35Å; S101-L104 WeakPolarHBondContact OG-CB 3.35Å; S101-L104 PolarHBondContact OG-N 3.46Å; S101-L105 PolarHBondContact O-N 2.94Å; S101-F134 WeakPolarHBondContact O-CE2 3.24Å
102Q96Very high97.9Very high85 Ų8525.8 Ų25.840%0.39714%0.14SC..Hα-helixtrans-69.2-38.2179.3-65-59.7-54.300112.9N100 L104 L105 N106N100-Q102 PolarHBondContact OD1-NE2 2.88Å; Q102-L104 VanDerWaalsContact C-N 3.29Å; Q102-L104 PolarHBondContact O-N 3.03Å; Q102-L105 PolarHBondContact O-N 3.5Å; Q102-N106 PolarHBondContact O-N 3.24Å; Q102-N106 PolarHBondContact O-OD1 3.01Å
103V97.4Very high97.9Very high1 Ų127.6 Ų27.61%0.00615%0.145CC..Hα-helixtrans-67-35.1176.163.90000111.2R78 I81 S101 A107 L199R78-V103 HydrophobicContact CB-CG2 4.44Å; R78-V103 HydrophobicContact CG-CB 4.33Å; R78-V103 HydrophobicContact CG-CG2 4.44Å; I81-V103 HydrophobicContact CB-CG2 3.78Å; I81-V103 HydrophobicContact CD1-CG2 3.81Å; I81-V103 HydrophobicContact CG1-CG2 4.4Å; I81-V103 HydrophobicContact CG2-CG2 3.46Å; I81-V103 VanDerWaalsContact CG2-CG2 3.46Å; S101-V103 WeakPolarHBondContact OG-CG1 3.21Å; V103-A107 PolarHBondContact O-N 3.48Å; V103-A107 VanDerWaalsContact O-N 3.08Å; V103-L199 HydrophobicContact CG1-CB 3.79Å; V103-L199 HydrophobicContact CG2-CB 4.1Å; V103-L199 HydrophobicContact CG2-CD2 4.48Å
104L97.8Very high97.8Very high1 Ų131.6 Ų31.61%0.00516%0.162CC..Hα-helixtrans-69.4-43.4174.3-175.568.7000112T97 S101 Q102 N106 A107 L108 F134 L164 L199T97-L104 HydrophobicContact CG2-CD2 4.02Å; T97-L104 WeakPolarHBondContact OG1-CD2 3.39Å; S101-L104 PolarHBondContact O-N 3.35Å; S101-L104 WeakPolarHBondContact OG-CB 3.35Å; S101-L104 PolarHBondContact OG-N 3.46Å; Q102-L104 VanDerWaalsContact C-N 3.29Å; Q102-L104 PolarHBondContact O-N 3.03Å; L104-N106 VanDerWaalsContact C-N 3.28Å; L104-N106 PolarHBondContact O-N 3.11Å; L104-A107 PolarHBondContact O-N 2.83Å; L104-A107 VanDerWaalsContact O-N 3.16Å; L104-L108 HydrophobicContact CD1-CD1 4.3Å; L104-L108 HydrophobicContact CD1-CG 4.32Å; L104-L108 HydrophobicContact CD2-CD1 4.43Å; L104-L108 HydrophobicContact CG-CD1 3.96Å; L104-L108 HydrophobicContact CG-CG 4.35Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.09Å; L104-F134 HydrophobicContact CB-CZ 4.3Å; L104-F134 HydrophobicContact CD2-CE1 4.02Å; L104-F134 HydrophobicContact CD2-CE2 4.35Å; L104-F134 HydrophobicContact CD2-CZ 3.58Å; L104-F134 HydrophobicContact CG-CZ 3.85Å; L104-L164 HydrophobicContact CD1-CB 4.2Å; L104-L164 HydrophobicContact CD1-CD2 3.44Å; L104-L164 VanDerWaalsContact CD1-CD2 3.44Å; L104-L164 HydrophobicContact CD1-CG 3.54Å; L104-L199 HydrophobicContact CD1-CD2 4Å
105L98.4Very high97.7Very high16 Ų1629.3 Ų29.38%0.08417%0.173CC..Hα-helixtrans-53.9-49.3174.1-179.260.9000110.2S101 Q102 A107 L108 V109 F134 L138S101-L105 PolarHBondContact O-N 2.94Å; Q102-L105 PolarHBondContact O-N 3.5Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 3.25Å; L105-L108 PolarHBondContact O-N 3.11Å; L105-V109 HydrophobicContact CD1-CG2 3.89Å; L105-V109 HydrophobicContact CG-CG2 4.26Å; L105-V109 WeakPolarHBondContact O-CB 3.37Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 2.83Å; L105-F134 HydrophobicContact CB-CE2 3.97Å; L105-L138 HydrophobicContact CD1-CD2 3.73Å; L105-L138 HydrophobicContact CD1-CG 4.28Å
106N98Very high97.7Very high63 Ų6331.1 Ų31.134%0.33718%0.18SC..Hα-helixtrans-60-41.5178.3-73.55.7000112.6R78 A82 Q102 L104 L110R78-N106 WeakPolarHBondContact CB-ND2 3.46Å; A82-N106 HydrophobicContact CB-CB 4.45Å; Q102-N106 PolarHBondContact O-N 3.24Å; Q102-N106 PolarHBondContact O-OD1 3.01Å; L104-N106 VanDerWaalsContact C-N 3.28Å; L104-N106 PolarHBondContact O-N 3.11Å; N106-L110 VanDerWaalsContact O-CB 3.26Å; N106-L110 WeakPolarHBondContact O-CB 3.27Å; N106-L110 PolarHBondContact O-N 2.98Å
107A98.5Very high97.6Very high0 Ų034.8 Ų34.80%021%0.206CC..Hα-helixtrans-63.8-45.9178.100000112.8A82 S85 V103 L104 L105 A111 L199A82-A107 HydrophobicContact CB-CB 4.21Å; S85-A107 WeakPolarHBondContact OG-CB 3.49Å; V103-A107 PolarHBondContact O-N 3.48Å; V103-A107 VanDerWaalsContact O-N 3.08Å; L104-A107 PolarHBondContact O-N 2.83Å; L104-A107 VanDerWaalsContact O-N 3.16Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 3.25Å; A107-A111 WeakPolarHBondContact O-CB 3.4Å; A107-A111 PolarHBondContact O-N 3.19Å; A107-L199 HydrophobicContact CB-CD2 3.53Å
108L98.6Very high97.6Very high0 Ų035.1 Ų35.10%021%0.207CC..Hα-helixtrans-70-41.5179.5-63172.8000111.5I89 I95 L104 L105 A111 K112 F118 V120 F134 L138 I143I89-L108 HydrophobicContact CD1-CD2 3.98Å; I95-L108 HydrophobicContact CD1-CD2 3.92Å; L104-L108 HydrophobicContact CD1-CD1 4.3Å; L104-L108 HydrophobicContact CD1-CG 4.32Å; L104-L108 HydrophobicContact CD2-CD1 4.43Å; L104-L108 HydrophobicContact CG-CD1 3.96Å; L104-L108 HydrophobicContact CG-CG 4.35Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.09Å; L105-L108 PolarHBondContact O-N 3.11Å; L108-A111 PolarHBondContact O-N 3.05Å; L108-K112 WeakPolarHBondContact O-CB 3.46Å; L108-K112 PolarHBondContact O-N 3.19Å; L108-F118 HydrophobicContact CB-CE2 4.24Å; L108-F118 HydrophobicContact CB-CZ 4.22Å; L108-F118 HydrophobicContact CD2-CD2 4.38Å; L108-F118 HydrophobicContact CD2-CE2 3.72Å; L108-F118 HydrophobicContact CD2-CZ 4.2Å; L108-F118 HydrophobicContact CG-CE2 4.5Å; L108-F118 WeakPolarHBondContact O-CZ 3.24Å; L108-V120 HydrophobicContact CD1-CG1 4.41Å; L108-V120 HydrophobicContact CD1-CG2 4.12Å; L108-V120 HydrophobicContact CD2-CG2 4.39Å; L108-F134 HydrophobicContact CD1-CE1 4.21Å; L108-F134 HydrophobicContact CD1-CZ 3.94Å; L108-L138 HydrophobicContact CB-CD2 4.02Å; L108-L138 HydrophobicContact CD1-CD1 4.22Å; L108-L138 HydrophobicContact CD1-CD2 3.88Å; L108-I143 HydrophobicContact CB-CD1 4.17Å
109V98.4Very high97.6Very high34 Ų3438 Ų3821%0.20622%0.223CC..Hα-helixtrans-62.4-43.6175.6171.30000111.2L105 K112 S113 H141 I143L105-V109 HydrophobicContact CD1-CG2 3.89Å; L105-V109 HydrophobicContact CG-CG2 4.26Å; L105-V109 WeakPolarHBondContact O-CB 3.37Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 2.83Å; V109-K112 PolarHBondContact O-N 3.2Å; V109-S113 WeakPolarHBondContact O-CB 3.48Å; V109-S113 PolarHBondContact O-N 3.22Å; V109-S113 PolarHBondContact O-OG 3.47Å; V109-H141 HydrophobicContact CG2-CB 3.92Å; V109-I143 HydrophobicContact CG2-CD1 4.15Å
110L98.2Very high97.7Very high22 Ų2237.7 Ų37.712%0.11522%0.22CC..Hα-helixtrans-59.9-49.6175.1179.962.8000110.8Y79 A82 N106 K112 S113 E114Y79-L110 HydrophobicContact CE2-CD1 4.39Å; A82-L110 HydrophobicContact CB-CB 4.27Å; A82-L110 HydrophobicContact CB-CD2 3.68Å; N106-L110 VanDerWaalsContact O-CB 3.26Å; N106-L110 WeakPolarHBondContact O-CB 3.27Å; N106-L110 PolarHBondContact O-N 2.98Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 2.94Å; L110-S113 PolarHBondContact O-N 2.79Å; L110-S113 PolarHBondContact O-OG 2.65Å; L110-E114 PolarHBondContact O-N 3.48Å
111A98.2Very high97.8Very high0 Ų037 Ų370%021%0.214CC..Hα-helixtrans-56.2-42.9177.200000112.3I89 A107 L108 E114 K116 F118I89-A111 HydrophobicContact CB-CB 4.2Å; I89-A111 HydrophobicContact CD1-CB 4Å; I89-A111 HydrophobicContact CG2-CB 3.81Å; A107-A111 WeakPolarHBondContact O-CB 3.4Å; A107-A111 PolarHBondContact O-N 3.19Å; L108-A111 PolarHBondContact O-N 3.05Å; A111-E114 PolarHBondContact O-N 3.33Å; A111-K116 HydrophobicContact CB-CD 4.18Å; A111-K116 VanDerWaalsContact O-CB 3.24Å; A111-K116 WeakPolarHBondContact O-CB 3.18Å; A111-K116 WeakPolarHBondContact O-CG 3.47Å; A111-K116 PolarHBondContact O-N 2.81Å; A111-F118 HydrophobicContact CB-CE1 3.72Å; A111-F118 HydrophobicContact CB-CZ 4.18Å
112K98Very high97.9Very high68 Ų6836.3 Ų36.330%0.29621%0.209SC..Hα-helixtrans-65.5-42.7176.8-179.864175.7-166.70112.8L108 V109 L110 E114 G115 F118 N142 I143L108-K112 WeakPolarHBondContact O-CB 3.46Å; L108-K112 PolarHBondContact O-N 3.19Å; V109-K112 PolarHBondContact O-N 3.2Å; L110-K112 VanDerWaalsContact C-N 3.29Å; L110-K112 PolarHBondContact O-N 2.94Å; K112-E114 PolarHBondContact O-N 2.82Å; K112-G115 PolarHBondContact O-N 2.88Å; K112-F118 HydrophobicContact CB-CE1 4.41Å; K112-F118 HydrophobicContact CB-CZ 4.32Å; K112-N142 WeakPolarHBondContact CE-O 3.27Å; K112-N142 PolarHBondContact NZ-O 3.45Å; K112-N142 VanDerWaalsContact NZ-O 3.12Å; K112-I143 HydrophobicContact CB-CD1 3.74Å; K112-I143 HydrophobicContact CB-CG1 3.73Å; K112-I143 HydrophobicContact CD-CG1 4.13Å; K112-I143 HydrophobicContact CG-CD1 4.2Å; K112-I143 HydrophobicContact CG-CG1 3.67Å
113S97.4Very high98Very high90 Ų9032.3 Ų32.363%0.62919%0.19SC*.Hα-helixtrans-62.2-24.9179.370.40000113.2V109 L110 G115V109-S113 WeakPolarHBondContact O-CB 3.48Å; V109-S113 PolarHBondContact O-N 3.22Å; V109-S113 PolarHBondContact O-OG 3.47Å; L110-S113 PolarHBondContact O-N 2.79Å; L110-S113 PolarHBondContact O-OG 2.65Å; S113-G115 VanDerWaalsContact C-N 3.26Å; S113-G115 PolarHBondContact O-N 3Å
114E96.3Very high98Very high92 Ų9234.9 Ų34.943%0.4320%0.202SC..THydrogen-bonded Turntrans-87.912.4173.7-66.2-171.8-173.800113.5R86 L110 A111 K112R86-E114 VanDerWaalsContact CD-OE1 3.28Å; R86-E114 WeakPolarHBondContact CD-OE1 3.47Å; R86-E114 VanDerWaalsContact CD-OE2 3.25Å; R86-E114 WeakPolarHBondContact CD-OE2 3.46Å; R86-E114 IonicContact CZ-OE1 3.73Å; R86-E114 IonicContact CZ-OE2 3.91Å; R86-E114 IonicContact NE-OE1 3.94Å; R86-E114 IonicContact NE-OE2 3.91Å; R86-E114 IonicContact NH1-OE1 2.74Å; R86-E114 PolarHBondContact NH1-OE1 2.77Å; R86-E114 IonicContact NH1-OE2 3.27Å; R86-E114 PolarHBondContact NH1-OE2 3.04Å; L110-E114 PolarHBondContact O-N 3.48Å; A111-E114 PolarHBondContact O-N 3.33Å; K112-E114 PolarHBondContact O-N 2.82Å
115G96.4Very high97.9Very high61 Ų6134.9 Ų34.963%0.62920%0.202SC*.THydrogen-bonded Turntrans81.912.6175.100000114.8K112 S113K112-G115 PolarHBondContact O-N 2.88Å; S113-G115 VanDerWaalsContact C-N 3.26Å; S113-G115 PolarHBondContact O-N 3Å
116K97.6Very high97.8Very high38 Ų3836.4 Ų36.417%0.16521%0.214CC..  trans-74.5140.5174.4-56.3-173.7178.6-171.90111.2R86 I89 N91 A111 F118R86-K116 PolarHBondContact O-NZ 3.49Å; I89-K116 WeakPolarHBondContact O-CD 3.44Å; I89-K116 WeakPolarHBondContact O-CE 3.33Å; I89-K116 PolarHBondContact O-NZ 3.27Å; N91-K116 VanDerWaalsContact OD1-CA 3.26Å; N91-K116 WeakPolarHBondContact OD1-CA 3.37Å; A111-K116 HydrophobicContact CB-CD 4.18Å; A111-K116 VanDerWaalsContact O-CB 3.24Å; A111-K116 WeakPolarHBondContact O-CB 3.18Å; A111-K116 WeakPolarHBondContact O-CG 3.47Å; A111-K116 PolarHBondContact O-N 2.81Å; K116-F118 HydrophobicContact CB-CD1 4.06Å; K116-F118 HydrophobicContact CB-CE1 4.21Å
117S97.5Very high97.4Very high76 Ų7638.3 Ų38.353%0.53123%0.23SC..  trans-113.1124.3174.4-166.40000109.9N91 G92N91-S117 CarbonylContact C-O 3.5Å; N91-S117 VanDerWaalsContact CA-O 3.31Å; N91-S117 WeakPolarHBondContact CA-O 3.34Å; N91-S117 PolarHBondContact OD1-N 3.18Å; G92-S117 PolarHBondContact N-O 3.13Å
118F98.3Very high97.1Very high7 Ų741.2 Ų41.23%0.03125%0.245CC..  trans-155.8158.2-176.553-93.4000109.1I89 S93 I95 L108 A111 K112 K116 V120 I143I89-F118 HydrophobicContact CG2-CB 4.46Å; I89-F118 HydrophobicContact CG2-CD1 3.58Å; I89-F118 HydrophobicContact CG2-CE1 3.9Å; I89-F118 HydrophobicContact CG2-CG 3.92Å; I89-F118 HydrophobicContact CG2-CZ 4.49Å; S93-F118 CarbonylContact O-C 3.55Å; S93-F118 VanDerWaalsContact O-CA 3.32Å; S93-F118 WeakPolarHBondContact O-CA 3.47Å; S93-F118 WeakPolarHBondContact O-CB 3.37Å; I95-F118 HydrophobicContact CD1-CD2 4.21Å; L108-F118 HydrophobicContact CB-CE2 4.24Å; L108-F118 HydrophobicContact CB-CZ 4.22Å; L108-F118 HydrophobicContact CD2-CD2 4.38Å; L108-F118 HydrophobicContact CD2-CE2 3.72Å; L108-F118 HydrophobicContact CD2-CZ 4.2Å; L108-F118 HydrophobicContact CG-CE2 4.5Å; L108-F118 WeakPolarHBondContact O-CZ 3.24Å; A111-F118 HydrophobicContact CB-CE1 3.72Å; A111-F118 HydrophobicContact CB-CZ 4.18Å; K112-F118 HydrophobicContact CB-CE1 4.41Å; K112-F118 HydrophobicContact CB-CZ 4.32Å; K116-F118 HydrophobicContact CB-CD1 4.06Å; K116-F118 HydrophobicContact CB-CE1 4.21Å; F118-V120 HydrophobicContact CD2-CG2 3.81Å; F118-V120 HydrophobicContact CE2-CG2 3.78Å; F118-I143 HydrophobicContact CE2-CG2 3.7Å; F118-I143 HydrophobicContact CZ-CD1 4.28Å; F118-I143 HydrophobicContact CZ-CG1 4.5Å; F118-I143 HydrophobicContact CZ-CG2 4.23Å
119D98.1Very high97Very high65 Ų6544.3 Ų44.335%0.34826%0.262SS..EExtended strand (participates in β ladder)trans-106.1136.6179.2-62.1-54.8000110.2S93 R94 I95 Y121S93-D119 PolarHBondContact O-N 3.06Å; R94-D119 HydrophobicContact CG-CB 4.36Å; I95-D119 PolarHBondContact N-O 2.91Å; D119-Y121 HydrophobicContact CB-CE2 4.32Å
120V98.8Very high96.9Very high2 Ų243.1 Ų43.11%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-114.3128.9178-175.10000109.8T97 L108 F118 L138 I143 P144 C145 T146T97-V120 HydrophobicContact CG2-CG1 3.69Å; L108-V120 HydrophobicContact CD1-CG1 4.41Å; L108-V120 HydrophobicContact CD1-CG2 4.12Å; L108-V120 HydrophobicContact CD2-CG2 4.39Å; F118-V120 HydrophobicContact CD2-CG2 3.81Å; F118-V120 HydrophobicContact CE2-CG2 3.78Å; V120-L138 HydrophobicContact CB-CD1 4.19Å; V120-L138 HydrophobicContact CG1-CD1 3.88Å; V120-L138 HydrophobicContact CG2-CD1 4.34Å; V120-I143 HydrophobicContact CG2-CG2 3.96Å; V120-P144 PolarHBondContact N-O 2.78Å; V120-C145 HydrophobicContact CB-CB 4.35Å; V120-C145 CarbonylContact O-C 3.56Å; V120-C145 VanDerWaalsContact O-CA 3.28Å; V120-C145 WeakPolarHBondContact O-CA 3.36Å; V120-T146 PolarHBondContact O-N 3.13Å
121Y98.8Very high96.9Very high42 Ų4242 Ų4217%0.16525%0.249CC..EExtended strand (participates in β ladder)trans-109.3126.7167.8-60.2-88.2000107.9R94 I95 L96 T97 D119 T146 I148 I156 V160R94-Y121 HydrophobicContact CB-CE2 4.31Å; I95-Y121 PolarHBondContact O-N 3.4Å; L96-Y121 CarbonylContact C-O 3.57Å; L96-Y121 WeakPolarHBondContact CA-O 3.43Å; T97-Y121 WeakPolarHBondContact CG2-O 3.4Å; T97-Y121 PolarHBondContact N-O 3.35Å; D119-Y121 HydrophobicContact CB-CE2 4.32Å; Y121-T146 CarbonylContact C-O 3.52Å; Y121-T146 WeakPolarHBondContact CA-O 3.44Å; Y121-T146 HydrophobicContact CD1-CG2 4.26Å; Y121-T146 HydrophobicContact CE1-CG2 4.44Å; Y121-I148 HydrophobicContact CD1-CG2 4.13Å; Y121-I156 HydrophobicContact CD1-CD1 3.88Å; Y121-I156 HydrophobicContact CD1-CG1 3.93Å; Y121-I156 HydrophobicContact CD2-CG1 4.47Å; Y121-I156 HydrophobicContact CE1-CD1 3.77Å; Y121-I156 HydrophobicContact CE1-CG1 4.31Å; Y121-I156 HydrophobicContact CG-CD1 4.38Å; Y121-I156 HydrophobicContact CG-CG1 4.02Å; Y121-V160 HydrophobicContact CD2-CG1 3.77Å; Y121-V160 HydrophobicContact CE2-CG1 4.24Å; Y121-V160 HydrophobicContact CG-CG1 4.46Å
122V98.7Very high96.9Very high0 Ų045.8 Ų45.80%027%0.267CS..EExtended strand (participates in β ladder)trans-120.9134.1176.266.30000109.5T97 F134 K135 C145 T146 V147 I148T97-V122 HydrophobicContact CG2-CB 3.84Å; T97-V122 HydrophobicContact CG2-CG2 3.95Å; T97-V122 WeakPolarHBondContact O-CA 3.44Å; V122-F134 HydrophobicContact CB-CD1 4.25Å; V122-F134 HydrophobicContact CG2-CB 4.45Å; V122-F134 HydrophobicContact CG2-CD1 3.94Å; V122-K135 HydrophobicContact CG1-CB 4.44Å; V122-C145 WeakPolarHBondContact CG1-SG 3.45Å; V122-T146 PolarHBondContact N-O 3.46Å; V122-V147 HydrophobicContact CG1-CB 4.4Å; V122-V147 HydrophobicContact CG1-CG2 3.62Å; V122-V147 CarbonylContact O-C 3.57Å; V122-V147 VanDerWaalsContact O-CA 3.24Å; V122-V147 WeakPolarHBondContact O-CA 3.37Å; V122-I148 PolarHBondContact O-N 3.38Å
123T98.6Very high96.9Very high1 Ų147.4 Ų47.41%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-66.9145.5171.658.20000110.8L96 T97 H98 S125 G131 I148 D150 V153 I185L96-T123 HydrophobicContact CD1-CG2 4.47Å; T97-T123 PolarHBondContact O-N 2.95Å; H98-T123 PolarHBondContact ND1-OG1 3.34Å; T123-S125 PolarHBondContact O-N 3.05Å; T123-S125 PolarHBondContact O-OG 2.84Å; T123-S125 PolarHBondContact OG1-OG 3.34Å; T123-S125 VanDerWaalsContact OG1-OG 3.04Å; T123-G131 WeakPolarHBondContact O-CA 3.45Å; T123-I148 CarbonylContact C-O 3.56Å; T123-I148 HydrophobicContact CG2-CD1 4.1Å; T123-I148 HydrophobicContact CG2-CG1 4.12Å; T123-D150 WeakPolarHBondContact CB-OD1 3.44Å; T123-V153 HydrophobicContact CG2-CG2 3.63Å; T123-I185 HydrophobicContact CG2-CD1 3.94Å
124Q97.8Very high96.9Very high55 Ų5543.1 Ų43.126%0.25725%0.248SC..  trans-49.7-36.4174.7-174.5178-2300112.1N129 S130 G131 V147 I148 D150Q124-N129 WeakPolarHBondContact CG-OD1 3.42Å; Q124-N129 PolarHBondContact NE2-OD1 3.15Å; Q124-N129 CarbonylContact O-C 3.59Å; Q124-N129 VanDerWaalsContact O-C 3.22Å; Q124-N129 VanDerWaalsContact O-CA 3.22Å; Q124-N129 WeakPolarHBondContact O-CA 3.47Å; Q124-S130 PolarHBondContact O-N 3.02Å; Q124-G131 PolarHBondContact O-N 3.12Å; Q124-V147 HydrophobicContact CB-CG1 4.03Å; Q124-I148 PolarHBondContact N-O 3.1Å; Q124-D150 PolarHBondContact N-OD1 3.21Å
125S96.5Very high97Very high1 Ų141.5 Ų41.51%0.00724%0.24CC..  trans66.256.5176.8-45.10000111.5A99 T123 D128 N129 S130 D150A99-S125 WeakPolarHBondContact CA-OG 3.32Å; A99-S125 PolarHBondContact N-OG 3.09Å; T123-S125 PolarHBondContact O-N 3.05Å; T123-S125 PolarHBondContact O-OG 2.84Å; T123-S125 PolarHBondContact OG1-OG 3.34Å; T123-S125 VanDerWaalsContact OG1-OG 3.04Å; S125-D128 VanDerWaalsContact O-OD1 3.11Å; S125-N129 PolarHBondContact O-N 2.99Å; S125-N129 VanDerWaalsContact O-N 3.15Å; S125-S130 WeakPolarHBondContact CB-OG 3.25Å; S125-D150 WeakPolarHBondContact CA-OD1 3.39Å; S125-D150 PolarHBondContact N-OD1 2.88Å
126S94.3Very high97.1Very high48 Ų4841.3 Ų41.334%0.33623%0.229SC..THydrogen-bonded Turntrans-60.5151.4176-54.40000111.2D150S126-D150 WeakPolarHBondContact CB-OD2 3.45Å; S126-D150 PolarHBondContact N-OD2 2.95Å; S126-D150 PolarHBondContact OG-OD2 2.79Å
127P90.5Very high97.2Very high102 Ų10240.8 Ų40.866%0.66223%0.23SC*.THydrogen-bonded Turncis-90.8-5.2335.8-36.1000114.4
128D91.9Very high97.2Very high61 Ų6137.1 Ų37.133%0.32620%0.204SC..THydrogen-bonded Turntrans-90.30.5-17572.7-2.2000114.4S125 S130 K179S125-D128 VanDerWaalsContact O-OD1 3.11Å; D128-S130 PolarHBondContact O-N 2.92Å; D128-S130 VanDerWaalsContact O-N 3.08Å; D128-S130 VanDerWaalsContact OD1-CB 3.29Å; D128-S130 WeakPolarHBondContact OD1-CB 3.38Å; D128-S130 PolarHBondContact OD1-N 3.39Å; D128-S130 PolarHBondContact OD1-OG 3.05Å; D128-K179 IonicContact OD1-NZ 3.94Å; D128-K179 PolarHBondContact OD1-NZ 3.29Å; D128-K179 IonicContact OD2-NZ 3.81Å; D128-K179 PolarHBondContact OD2-NZ 2.92Å
129N95.8Very high97.2Very high66 Ų6641.2 Ų41.235%0.35322%0.223SC..THydrogen-bonded Turntrans52.532.3177.2-58.9-32.8000112.7Q124 S125 G131 E132Q124-N129 WeakPolarHBondContact CG-OD1 3.42Å; Q124-N129 PolarHBondContact NE2-OD1 3.15Å; Q124-N129 CarbonylContact O-C 3.59Å; Q124-N129 VanDerWaalsContact O-C 3.22Å; Q124-N129 VanDerWaalsContact O-CA 3.22Å; Q124-N129 WeakPolarHBondContact O-CA 3.47Å; S125-N129 PolarHBondContact O-N 2.99Å; S125-N129 VanDerWaalsContact O-N 3.15Å; N129-G131 PolarHBondContact O-N 2.86Å; N129-G131 VanDerWaalsContact O-N 3.1Å; N129-E132 WeakPolarHBondContact O-CB 3.46Å; N129-E132 PolarHBondContact O-N 2.65Å
130S96.7Very high97.2Very high8 Ų846 Ų466%0.05624%0.242CC..Hα-helixtrans-62.1-20.2-17643.80000113.3Q124 S125 D128 E132 L133 F134 K179Q124-S130 PolarHBondContact O-N 3.02Å; S125-S130 WeakPolarHBondContact CB-OG 3.25Å; D128-S130 PolarHBondContact O-N 2.92Å; D128-S130 VanDerWaalsContact O-N 3.08Å; D128-S130 VanDerWaalsContact OD1-CB 3.29Å; D128-S130 WeakPolarHBondContact OD1-CB 3.38Å; D128-S130 PolarHBondContact OD1-N 3.39Å; D128-S130 PolarHBondContact OD1-OG 3.05Å; S130-E132 VanDerWaalsContact C-N 3.32Å; S130-E132 PolarHBondContact O-N 3.24Å; S130-L133 PolarHBondContact O-N 3.33Å; S130-F134 PolarHBondContact O-N 3.06Å; S130-F134 VanDerWaalsContact O-N 3.09Å; S130-K179 WeakPolarHBondContact OG-CE 3.22Å
131G98.1Very high97.1Very high0 Ų049.9 Ų49.90%026%0.259CS..Hα-helixtrans-62.1-35.3171.900000113.8T123 Q124 N129 F134 K135T123-G131 WeakPolarHBondContact O-CA 3.45Å; Q124-G131 PolarHBondContact O-N 3.12Å; N129-G131 PolarHBondContact O-N 2.86Å; N129-G131 VanDerWaalsContact O-N 3.1Å; G131-F134 WeakPolarHBondContact O-CB 3.42Å; G131-F134 PolarHBondContact O-N 3.39Å; G131-K135 PolarHBondContact O-N 2.69Å
132E98Very high97.1Very high78 Ų7854.1 Ų54.136%0.36428%0.284SS..Hα-helixtrans-68.5-37.7177.6-67.8-67.6170.900111.9N129 S130 F134 K135 S136 V147N129-E132 WeakPolarHBondContact O-CB 3.46Å; N129-E132 PolarHBondContact O-N 2.65Å; S130-E132 VanDerWaalsContact C-N 3.32Å; S130-E132 PolarHBondContact O-N 3.24Å; E132-F134 VanDerWaalsContact C-N 3.29Å; E132-F134 PolarHBondContact O-N 2.78Å; E132-K135 PolarHBondContact O-N 2.76Å; E132-S136 WeakPolarHBondContact O-CB 3.41Å; E132-S136 PolarHBondContact O-N 3.15Å; E132-S136 PolarHBondContact O-OG 3.03Å; E132-V147 WeakPolarHBondContact OE1-CG1 3.38Å
133L97.9Very high97Very high102 Ų10254.2 Ų54.253%0.53429%0.285SS..Hα-helixtrans-65.3-37.6173.5-61178.1000111.1S130 S137S130-L133 PolarHBondContact O-N 3.33Å; L133-S137 PolarHBondContact O-N 3.44Å; L133-S137 VanDerWaalsContact O-N 3.09Å; L133-S137 PolarHBondContact O-OG 2.87Å
134F98.4Very high96.9Very high0 Ų057.7 Ų57.70%031%0.308CS..Hα-helixtrans-67.5-47.3176.9-169.4-110.7000111.7T97 N100 S101 L104 L105 L108 V122 S130 G131 E132 S136 S137 L138T97-F134 HydrophobicContact CG2-CD1 4.21Å; T97-F134 HydrophobicContact CG2-CE1 3.75Å; N100-F134 HydrophobicContact CB-CB 4.2Å; S101-F134 WeakPolarHBondContact O-CE2 3.24Å; L104-F134 HydrophobicContact CB-CZ 4.3Å; L104-F134 HydrophobicContact CD2-CE1 4.02Å; L104-F134 HydrophobicContact CD2-CE2 4.35Å; L104-F134 HydrophobicContact CD2-CZ 3.58Å; L104-F134 HydrophobicContact CG-CZ 3.85Å; L105-F134 HydrophobicContact CB-CE2 3.97Å; L108-F134 HydrophobicContact CD1-CE1 4.21Å; L108-F134 HydrophobicContact CD1-CZ 3.94Å; V122-F134 HydrophobicContact CB-CD1 4.25Å; V122-F134 HydrophobicContact CG2-CB 4.45Å; V122-F134 HydrophobicContact CG2-CD1 3.94Å; S130-F134 PolarHBondContact O-N 3.06Å; S130-F134 VanDerWaalsContact O-N 3.09Å; G131-F134 WeakPolarHBondContact O-CB 3.42Å; G131-F134 PolarHBondContact O-N 3.39Å; E132-F134 VanDerWaalsContact C-N 3.29Å; E132-F134 PolarHBondContact O-N 2.78Å; F134-S136 VanDerWaalsContact C-N 3.33Å; F134-S136 PolarHBondContact O-N 2.95Å; F134-S137 WeakPolarHBondContact O-CA 3.29Å; F134-S137 WeakPolarHBondContact O-CB 3.16Å; F134-S137 PolarHBondContact O-N 3.43Å; F134-L138 HydrophobicContact CD1-CD1 3.81Å; F134-L138 HydrophobicContact CD1-CG 4.36Å; F134-L138 HydrophobicContact CE1-CD1 3.39Å; F134-L138 HydrophobicContact CE1-CG 4.01Å; F134-L138 HydrophobicContact CZ-CD1 4.01Å; F134-L138 HydrophobicContact CZ-CD2 4.32Å; F134-L138 HydrophobicContact CZ-CG 4.21Å; F134-L138 PolarHBondContact O-N 2.8Å
135K98.6Very high97Very high59 Ų5955.5 Ų55.526%0.25730%0.298SS..Hα-helixtrans-52-52.3172.3175.6-172.6170.1-156.10111.1V122 G131 E132 S137 L138 E139 C145 V147V122-K135 HydrophobicContact CG1-CB 4.44Å; G131-K135 PolarHBondContact O-N 2.69Å; E132-K135 PolarHBondContact O-N 2.76Å; K135-S137 PolarHBondContact O-N 2.75Å; K135-L138 PolarHBondContact O-N 2.85Å; K135-E139 WeakPolarHBondContact CE-OE1 3.42Å; K135-E139 HydrophobicContact CG-CG 4.36Å; K135-E139 IonicContact NZ-OE1 2.58Å; K135-E139 WeakPolarHBondContact O-CG 3.3Å; K135-E139 PolarHBondContact O-N 3.33Å; K135-C145 HydrophobicContact CB-CB 4.34Å; K135-C145 HydrophobicContact CG-CB 4.02Å; K135-V147 HydrophobicContact CB-CG2 3.83Å; K135-V147 HydrophobicContact CD-CG2 3.6Å; K135-V147 HydrophobicContact CG-CG2 4.24Å
136S98.4Very high97.1Very high57 Ų5759.1 Ų59.140%0.39932%0.321SS..Hα-helixtrans-57.6-32.6178.3-62.50000112.8E132 F134 K140E132-S136 WeakPolarHBondContact O-CB 3.41Å; E132-S136 PolarHBondContact O-N 3.15Å; E132-S136 PolarHBondContact O-OG 3.03Å; F134-S136 VanDerWaalsContact C-N 3.33Å; F134-S136 PolarHBondContact O-N 2.95Å; S136-K140 WeakPolarHBondContact O-CG 3.5Å
137S98.5Very high97.3Very high26 Ų2658.5 Ų58.518%0.18231%0.314CS..Hα-helixtrans-75.3-35.3177.5-57.70000112.5L133 F134 K135 H141L133-S137 PolarHBondContact O-N 3.44Å; L133-S137 VanDerWaalsContact O-N 3.09Å; L133-S137 PolarHBondContact O-OG 2.87Å; F134-S137 WeakPolarHBondContact O-CA 3.29Å; F134-S137 WeakPolarHBondContact O-CB 3.16Å; F134-S137 PolarHBondContact O-N 3.43Å; K135-S137 PolarHBondContact O-N 2.75Å; S137-H141 PolarHBondContact O-ND1 2.85Å
138L98.5Very high97.6Very high0 Ų054.6 Ų54.60%029%0.288CS..Hα-helixtrans-71.6-41.6175.3-73.9178000112.5L105 L108 V120 F134 K135 K140 H141 N142 I143 C145L105-L138 HydrophobicContact CD1-CD2 3.73Å; L105-L138 HydrophobicContact CD1-CG 4.28Å; L108-L138 HydrophobicContact CB-CD2 4.02Å; L108-L138 HydrophobicContact CD1-CD1 4.22Å; L108-L138 HydrophobicContact CD1-CD2 3.88Å; V120-L138 HydrophobicContact CB-CD1 4.19Å; V120-L138 HydrophobicContact CG1-CD1 3.88Å; V120-L138 HydrophobicContact CG2-CD1 4.34Å; F134-L138 HydrophobicContact CD1-CD1 3.81Å; F134-L138 HydrophobicContact CD1-CG 4.36Å; F134-L138 HydrophobicContact CE1-CD1 3.39Å; F134-L138 HydrophobicContact CE1-CG 4.01Å; F134-L138 HydrophobicContact CZ-CD1 4.01Å; F134-L138 HydrophobicContact CZ-CD2 4.32Å; F134-L138 HydrophobicContact CZ-CG 4.21Å; F134-L138 PolarHBondContact O-N 2.8Å; K135-L138 PolarHBondContact O-N 2.85Å; L138-K140 VanDerWaalsContact C-N 3.29Å; L138-K140 PolarHBondContact O-N 3.41Å; L138-H141 CarbonylContact O-C 3.56Å; L138-H141 WeakPolarHBondContact O-CA 3.3Å; L138-H141 PolarHBondContact O-N 3.21Å; L138-N142 PolarHBondContact O-N 3.44Å; L138-I143 HydrophobicContact CB-CB 4.09Å; L138-I143 HydrophobicContact CB-CG2 4.36Å; L138-I143 HydrophobicContact CD1-CG2 4.48Å; L138-I143 HydrophobicContact CD2-CB 4.23Å; L138-I143 HydrophobicContact CD2-CD1 3.81Å; L138-I143 HydrophobicContact CD2-CG2 4.14Å; L138-I143 PolarHBondContact O-N 3.04Å; L138-I143 VanDerWaalsContact O-N 3.14Å; L138-C145 HydrophobicContact CB-CB 4.2Å; L138-C145 HydrophobicContact CD1-CB 3.79Å
139E97.9Very high97.9Very high92 Ų9256.5 Ų56.543%0.4330%0.298SS..Hα-helixtrans-63.3-34.2-179.9-73.7179.6154.800112.3K135 H141 N142K135-E139 WeakPolarHBondContact CE-OE1 3.42Å; K135-E139 HydrophobicContact CG-CG 4.36Å; K135-E139 IonicContact NZ-OE1 2.58Å; K135-E139 WeakPolarHBondContact O-CG 3.3Å; K135-E139 PolarHBondContact O-N 3.33Å; E139-H141 PolarHBondContact O-N 3.46Å; E139-H141 VanDerWaalsContact O-N 3.09Å; E139-N142 PolarHBondContact O-N 2.96Å
140K98.2Very high98Very high167 Ų16756 Ų5673%0.72630%0.295SS*.THydrogen-bonded Turntrans-57.4-22.2170.6-74172.8-175.4178.90113.7S136 L138S136-K140 WeakPolarHBondContact O-CG 3.5Å; L138-K140 VanDerWaalsContact C-N 3.29Å; L138-K140 PolarHBondContact O-N 3.41Å
141H97.8Very high98.1Very high83 Ų8360.8 Ų60.838%0.38433%0.329SS..THydrogen-bonded Turntrans-107.716.9178.2-59.789.1000112.3V109 S137 L138 E139 I143V109-H141 HydrophobicContact CG2-CB 3.92Å; S137-H141 PolarHBondContact O-ND1 2.85Å; L138-H141 CarbonylContact O-C 3.56Å; L138-H141 WeakPolarHBondContact O-CA 3.3Å; L138-H141 PolarHBondContact O-N 3.21Å; E139-H141 PolarHBondContact O-N 3.46Å; E139-H141 VanDerWaalsContact O-N 3.09Å; H141-I143 VanDerWaalsContact C-N 3.25Å; H141-I143 HydrophobicContact CB-CD1 4.33Å; H141-I143 HydrophobicContact CB-CG1 4.47Å; H141-I143 PolarHBondContact O-N 3.22Å
142N97.4Very high98.1Very high130 Ų13062 Ų6270%0.69534%0.338SS*.THydrogen-bonded Turntrans57.734.8-179.6-53.2-66.3000113.5K112 L138 E139K112-N142 WeakPolarHBondContact CE-O 3.27Å; K112-N142 PolarHBondContact NZ-O 3.45Å; K112-N142 VanDerWaalsContact NZ-O 3.12Å; L138-N142 PolarHBondContact O-N 3.44Å; E139-N142 PolarHBondContact O-N 2.96Å
143I98.3Very high98.1Very high3 Ų358.6 Ų58.62%0.01532%0.323CS..  trans-101.9115.7173.7-60.8170.7000108.2L108 V109 K112 F118 V120 L138 H141 C145L108-I143 HydrophobicContact CB-CD1 4.17Å; V109-I143 HydrophobicContact CG2-CD1 4.15Å; K112-I143 HydrophobicContact CB-CD1 3.74Å; K112-I143 HydrophobicContact CB-CG1 3.73Å; K112-I143 HydrophobicContact CD-CG1 4.13Å; K112-I143 HydrophobicContact CG-CD1 4.2Å; K112-I143 HydrophobicContact CG-CG1 3.67Å; F118-I143 HydrophobicContact CE2-CG2 3.7Å; F118-I143 HydrophobicContact CZ-CD1 4.28Å; F118-I143 HydrophobicContact CZ-CG1 4.5Å; F118-I143 HydrophobicContact CZ-CG2 4.23Å; V120-I143 HydrophobicContact CG2-CG2 3.96Å; L138-I143 HydrophobicContact CB-CB 4.09Å; L138-I143 HydrophobicContact CB-CG2 4.36Å; L138-I143 HydrophobicContact CD1-CG2 4.48Å; L138-I143 HydrophobicContact CD2-CB 4.23Å; L138-I143 HydrophobicContact CD2-CD1 3.81Å; L138-I143 HydrophobicContact CD2-CG2 4.14Å; L138-I143 PolarHBondContact O-N 3.04Å; L138-I143 VanDerWaalsContact O-N 3.14Å; H141-I143 VanDerWaalsContact C-N 3.25Å; H141-I143 HydrophobicContact CB-CD1 4.33Å; H141-I143 HydrophobicContact CB-CG1 4.47Å; H141-I143 PolarHBondContact O-N 3.22Å; I143-C145 PolarHBondContact O-N 3.35Å
144P95.9Very high98.1Very high74 Ų7455.1 Ų55.148%0.48131%0.311SS..  trans-60.6129.5175.3-21.433.1000110.9V120V120-P144 PolarHBondContact N-O 2.78Å
145C98.5Very high98.1Very high9 Ų964.2 Ų64.26%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-139.8124179-176.20000110.9V120 V122 K135 L138 I143V120-C145 HydrophobicContact CB-CB 4.35Å; V120-C145 CarbonylContact O-C 3.56Å; V120-C145 VanDerWaalsContact O-CA 3.28Å; V120-C145 WeakPolarHBondContact O-CA 3.36Å; V122-C145 WeakPolarHBondContact CG1-SG 3.45Å; K135-C145 HydrophobicContact CB-CB 4.34Å; K135-C145 HydrophobicContact CG-CB 4.02Å; L138-C145 HydrophobicContact CB-CB 4.2Å; L138-C145 HydrophobicContact CD1-CB 3.79Å; I143-C145 PolarHBondContact O-N 3.35Å
146T98.6Very high98.1Very high77 Ų7762.3 Ų62.347%0.47234%0.339SS..EExtended strand (participates in β ladder)trans-102124.3176.3-580000109.6V120 Y121 V122 I148V120-T146 PolarHBondContact O-N 3.13Å; Y121-T146 CarbonylContact C-O 3.52Å; Y121-T146 WeakPolarHBondContact CA-O 3.44Å; Y121-T146 HydrophobicContact CD1-CG2 4.26Å; Y121-T146 HydrophobicContact CE1-CG2 4.44Å; V122-T146 PolarHBondContact N-O 3.46Å; T146-I148 HydrophobicContact CG2-CG2 4.44Å
147V98.6Very high98.1Very high34 Ų3459.6 Ų59.621%0.20632%0.32CS..EExtended strand (participates in β ladder)trans-81.5130.2170.5176.30000108.8V122 Q124 E132 K135V122-V147 HydrophobicContact CG1-CB 4.4Å; V122-V147 HydrophobicContact CG1-CG2 3.62Å; V122-V147 CarbonylContact O-C 3.57Å; V122-V147 VanDerWaalsContact O-CA 3.24Å; V122-V147 WeakPolarHBondContact O-CA 3.37Å; Q124-V147 HydrophobicContact CB-CG1 4.03Å; E132-V147 WeakPolarHBondContact OE1-CG1 3.38Å; K135-V147 HydrophobicContact CB-CG2 3.83Å; K135-V147 HydrophobicContact CD-CG2 3.6Å; K135-V147 HydrophobicContact CG-CG2 4.24Å
148I98.5Very high98Very high21 Ų2165.4 Ų65.411%0.10835%0.345CS..EExtended strand (participates in β ladder)trans-113156.5176.368.9176.1000110.4L96 Y121 V122 T123 Q124 T146 A152 I156L96-I148 HydrophobicContact CD1-CD1 3.67Å; Y121-I148 HydrophobicContact CD1-CG2 4.13Å; V122-I148 PolarHBondContact O-N 3.38Å; T123-I148 CarbonylContact C-O 3.56Å; T123-I148 HydrophobicContact CG2-CD1 4.1Å; T123-I148 HydrophobicContact CG2-CG1 4.12Å; Q124-I148 PolarHBondContact N-O 3.1Å; T146-I148 HydrophobicContact CG2-CG2 4.44Å; I148-A152 HydrophobicContact CB-CB 4.49Å; I148-I156 HydrophobicContact CD1-CB 4.22Å; I148-I156 HydrophobicContact CD1-CG2 3.44Å; I148-I156 VanDerWaalsContact CD1-CG2 3.44Å
149L98.2Very high98Very high101 Ų10167.9 Ų67.953%0.52936%0.362SS..  trans-62.8145169.6-61.1175.2000110.4S151 A152L149-S151 PolarHBondContact O-N 3.08Å; L149-A152 HydrophobicContact CB-CB 3.98Å; L149-A152 WeakPolarHBondContact O-CB 3.47Å; L149-A152 PolarHBondContact O-N 2.9Å
150D97.8Very high98Very high55 Ų5563.5 Ų63.529%0.29434%0.342SS..G310 helixtrans-58.3-32.1174.1-60.2-35.2000111.1T123 Q124 S125 S126 A152 V153T123-D150 WeakPolarHBondContact CB-OD1 3.44Å; Q124-D150 PolarHBondContact N-OD1 3.21Å; S125-D150 WeakPolarHBondContact CA-OD1 3.39Å; S125-D150 PolarHBondContact N-OD1 2.88Å; S126-D150 WeakPolarHBondContact CB-OD2 3.45Å; S126-D150 PolarHBondContact N-OD2 2.95Å; S126-D150 PolarHBondContact OG-OD2 2.79Å; D150-A152 VanDerWaalsContact C-N 3.34Å; D150-V153 VanDerWaalsContact O-CG2 3.27Å; D150-V153 WeakPolarHBondContact O-CG2 3.47Å
151S97.3Very high98Very high109 Ų10959.1 Ų59.176%0.76233%0.326SS*.G310 helixtrans-75.9-15.1174.3560000114.5L149 V153L149-S151 PolarHBondContact O-N 3.08Å; S151-V153 VanDerWaalsContact C-N 3.31Å
152A98.1Very high98.1Very high24 Ų2455.9 Ų55.920%0.19831%0.311CS..G310 helixtrans-87.73179.800000113.2I148 L149 D150 G154 Y155 I156I148-A152 HydrophobicContact CB-CB 4.49Å; L149-A152 HydrophobicContact CB-CB 3.98Å; L149-A152 WeakPolarHBondContact O-CB 3.47Å; L149-A152 PolarHBondContact O-N 2.9Å; D150-A152 VanDerWaalsContact C-N 3.34Å; A152-G154 VanDerWaalsContact C-N 3.34Å; A152-G154 PolarHBondContact O-N 3.38Å; A152-Y155 WeakPolarHBondContact O-CB 3.24Å; A152-Y155 PolarHBondContact O-N 3.48Å; A152-Y155 VanDerWaalsContact O-N 3.09Å; A152-I156 PolarHBondContact O-N 2.74Å
153V98.5Very high98.2Very high7 Ų749.7 Ų49.74%0.04228%0.278CS..Hα-helixtrans-54.2-48.3178.7166.80000111.7L96 T123 D150 S151 Y155 I156 M157 I185 C188L96-V153 HydrophobicContact CD2-CG1 4.46Å; T123-V153 HydrophobicContact CG2-CG2 3.63Å; D150-V153 VanDerWaalsContact O-CG2 3.27Å; D150-V153 WeakPolarHBondContact O-CG2 3.47Å; S151-V153 VanDerWaalsContact C-N 3.31Å; V153-Y155 VanDerWaalsContact C-N 3.3Å; V153-Y155 PolarHBondContact O-N 2.88Å; V153-I156 WeakPolarHBondContact O-CG2 3.21Å; V153-I156 PolarHBondContact O-N 2.79Å; V153-M157 HydrophobicContact CG1-CE 4.2Å; V153-M157 VanDerWaalsContact O-CB 3.28Å; V153-M157 WeakPolarHBondContact O-CB 3.44Å; V153-M157 PolarHBondContact O-N 3.49Å; V153-M157 VanDerWaalsContact O-N 3.07Å; V153-I185 HydrophobicContact CB-CG1 4.46Å; V153-I185 HydrophobicContact CG1-CB 4.23Å; V153-I185 HydrophobicContact CG1-CG1 3.75Å; V153-I185 HydrophobicContact CG1-CG2 4.5Å; V153-I185 HydrophobicContact CG2-CD1 4.47Å; V153-I185 HydrophobicContact CG2-CG1 3.82Å; V153-C188 HydrophobicContact CG1-CB 4.05Å
154G98.1Very high98.2Very high29 Ų2949.7 Ų49.730%0.29928%0.278SS..Hα-helixtrans-64.2-34.6178.500000113.1A152 M192A152-G154 VanDerWaalsContact C-N 3.34Å; A152-G154 PolarHBondContact O-N 3.38Å; G154-M192 WeakPolarHBondContact O-CE 3.03Å
155Y98.2Very high98.3Very high192 Ų19246.1 Ų46.175%0.75326%0.255SS*.Hα-helixtrans-69.8-48.1178.6177.1-92.1000111.8A152 V153 M157A152-Y155 WeakPolarHBondContact O-CB 3.24Å; A152-Y155 PolarHBondContact O-N 3.48Å; A152-Y155 VanDerWaalsContact O-N 3.09Å; V153-Y155 VanDerWaalsContact C-N 3.3Å; V153-Y155 PolarHBondContact O-N 2.88Å; Y155-M157 VanDerWaalsContact C-N 3.3Å; Y155-M157 PolarHBondContact O-N 3.41Å
156I98.3Very high98.3Very high18 Ų1845.8 Ų45.89%0.09225%0.253CS..Hα-helixtrans-74.1-23.1-177.6-161.160000112.7L96 Y121 I148 A152 V153 E158 S159 V160L96-I156 HydrophobicContact CD1-CG2 4.19Å; L96-I156 HydrophobicContact CD2-CG2 4.14Å; Y121-I156 HydrophobicContact CD1-CD1 3.88Å; Y121-I156 HydrophobicContact CD1-CG1 3.93Å; Y121-I156 HydrophobicContact CD2-CG1 4.47Å; Y121-I156 HydrophobicContact CE1-CD1 3.77Å; Y121-I156 HydrophobicContact CE1-CG1 4.31Å; Y121-I156 HydrophobicContact CG-CD1 4.38Å; Y121-I156 HydrophobicContact CG-CG1 4.02Å; I148-I156 HydrophobicContact CD1-CB 4.22Å; I148-I156 HydrophobicContact CD1-CG2 3.44Å; I148-I156 VanDerWaalsContact CD1-CG2 3.44Å; A152-I156 PolarHBondContact O-N 2.74Å; V153-I156 WeakPolarHBondContact O-CG2 3.21Å; V153-I156 PolarHBondContact O-N 2.79Å; I156-E158 PolarHBondContact O-N 3.16Å; I156-E158 VanDerWaalsContact O-N 3.14Å; I156-S159 WeakPolarHBondContact O-CB 3.35Å; I156-S159 PolarHBondContact O-N 2.89Å; I156-V160 HydrophobicContact CG1-CG1 4.12Å; I156-V160 PolarHBondContact O-N 2.98Å
157M98.6Very high98.3Very high0 Ų042.3 Ų42.30%023%0.232CC..THydrogen-bonded Turntrans-58.3-31.1-173-172.465.268.100112.6L96 V153 Y155 S159 V160 V163 I185 C188 A189 M192 K194L96-M157 HydrophobicContact CD2-CE 3.56Å; L96-M157 HydrophobicContact CD2-SD 4.37Å; V153-M157 HydrophobicContact CG1-CE 4.2Å; V153-M157 VanDerWaalsContact O-CB 3.28Å; V153-M157 WeakPolarHBondContact O-CB 3.44Å; V153-M157 PolarHBondContact O-N 3.49Å; V153-M157 VanDerWaalsContact O-N 3.07Å; Y155-M157 VanDerWaalsContact C-N 3.3Å; Y155-M157 PolarHBondContact O-N 3.41Å; M157-S159 VanDerWaalsContact C-N 3.27Å; M157-S159 PolarHBondContact O-N 2.98Å; M157-V160 WeakPolarHBondContact O-CG2 3.5Å; M157-V160 HydrophobicContact SD-CG2 3.87Å; M157-V163 HydrophobicContact CE-CG2 3.79Å; M157-V163 HydrophobicContact SD-CG2 3.94Å; M157-I185 HydrophobicContact CE-CG2 4.14Å; M157-C188 HydrophobicContact CE-CB 3.81Å; M157-C188 HydrophobicContact CG-CB 4.41Å; M157-A189 HydrophobicContact CE-CB 3.91Å; M157-A189 HydrophobicContact SD-CB 3.95Å; M157-M192 HydrophobicContact CB-SD 3.53Å; M157-M192 VanDerWaalsContact CB-SD 3.53Å; M157-M192 HydrophobicContact CG-CB 4.08Å; M157-M192 HydrophobicContact CG-CG 4.19Å; M157-M192 HydrophobicContact CG-SD 3.53Å; M157-M192 VanDerWaalsContact CG-SD 3.53Å; M157-K194 HydrophobicContact CG-CG 4.08Å; M157-K194 VanDerWaalsContact O-CE 3.23Å; M157-K194 WeakPolarHBondContact O-CE 3.5Å; M157-K194 HydrophobicContact SD-CB 4.05Å; M157-K194 HydrophobicContact SD-CG 3.92Å
158E97.5Very high98.1Very high149 Ų14942.7 Ų42.770%0.69623%0.231SC*.THydrogen-bonded Turntrans-61-39.1175-174.7174.7-173.100111.9I156 M192 K194I156-E158 PolarHBondContact O-N 3.16Å; I156-E158 VanDerWaalsContact O-N 3.14Å; E158-M192 HydrophobicContact CB-SD 4.43Å; E158-K194 PolarHBondContact O-NZ 2.71Å
159S97.5Very high98Very high52 Ų5241.7 Ų41.736%0.36423%0.226SC..THydrogen-bonded Turntrans-84.2-19.8-172.5-65.50000114.6R94 I156 M157R94-S159 WeakPolarHBondContact CD-O 3.41Å; I156-S159 WeakPolarHBondContact O-CB 3.35Å; I156-S159 PolarHBondContact O-N 2.89Å; M157-S159 VanDerWaalsContact C-N 3.27Å; M157-S159 PolarHBondContact O-N 2.98Å
160V98.6Very high98Very high0 Ų036.9 Ų36.90%020%0.201CC..  trans-88.1153.5179.4-560000111.9R94 L96 Y121 I156 M157 K194R94-V160 WeakPolarHBondContact O-CB 3.21Å; L96-V160 HydrophobicContact CB-CB 4.27Å; L96-V160 HydrophobicContact CB-CG1 3.96Å; L96-V160 HydrophobicContact CB-CG2 4.01Å; Y121-V160 HydrophobicContact CD2-CG1 3.77Å; Y121-V160 HydrophobicContact CE2-CG1 4.24Å; Y121-V160 HydrophobicContact CG-CG1 4.46Å; I156-V160 HydrophobicContact CG1-CG1 4.12Å; I156-V160 PolarHBondContact O-N 2.98Å; M157-V160 WeakPolarHBondContact O-CG2 3.5Å; M157-V160 HydrophobicContact SD-CG2 3.87Å; V160-K194 WeakPolarHBondContact O-CD 3.15Å; V160-K194 WeakPolarHBondContact O-CE 3.06Å; V160-K194 PolarHBondContact O-NZ 3.11Å
161D98.6Very high97.9Very high75 Ų7534.3 Ų34.340%0.40119%0.187SC..SBendtrans-84.7-39.6178.6-62.5-45.5000111.6S93 R94 P195S93-D161 WeakPolarHBondContact CA-OD2 3.45Å; R94-D161 PolarHBondContact N-OD2 3.48Å; R94-D161 PolarHBondContact O-N 3.33Å; D161-P195 WeakPolarHBondContact O-CD 3.25Å
162F98.8Very high97.7Very high14 Ų1429.8 Ų29.86%0.06115%0.154CC..EExtended strand (participates in β ladder)trans-158.7163.1179.559.4-90.4000111.5I95 L96 L164 P195 Y197I95-F162 HydrophobicContact CB-CE2 4.43Å; I95-F162 HydrophobicContact CD1-CE2 4.05Å; I95-F162 HydrophobicContact CD1-CZ 3.71Å; I95-F162 HydrophobicContact CG1-CE1 4.19Å; I95-F162 HydrophobicContact CG1-CE2 3.88Å; I95-F162 HydrophobicContact CG1-CZ 3.6Å; I95-F162 HydrophobicContact CG2-CD2 4.31Å; I95-F162 HydrophobicContact CG2-CE2 3.87Å; I95-F162 HydrophobicContact CG2-CZ 4.47Å; L96-F162 PolarHBondContact N-O 3.26Å; L96-F162 VanDerWaalsContact N-O 3.11Å; F162-L164 HydrophobicContact CD2-CB 4.23Å; F162-L164 HydrophobicContact CE2-CB 4.06Å; F162-L164 HydrophobicContact CE2-CD1 4.46Å; F162-L164 HydrophobicContact CE2-CD2 4.31Å; F162-P195 WeakPolarHBondContact CA-O 3.49Å; F162-P195 HydrophobicContact CB-CB 4.04Å; F162-P195 HydrophobicContact CB-CG 4.3Å; F162-P195 WeakPolarHBondContact CB-O 3.23Å; F162-Y197 HydrophobicContact CB-CD2 4.27Å; F162-Y197 HydrophobicContact CB-CE2 4.02Å; F162-Y197 AromaticContact CD2-CD2 3.62Å; F162-Y197 HydrophobicContact CD2-CD2 3.62Å; F162-Y197 AromaticContact CD2-CE2 3.93Å; F162-Y197 HydrophobicContact CD2-CE2 3.93Å; F162-Y197 HydrophobicContact CE2-CD2 4.2Å; F162-Y197 HydrophobicContact CG-CD2 4.1Å; F162-Y197 AromaticContact CG-CE2 3.95Å; F162-Y197 HydrophobicContact CG-CE2 3.95Å
163V98.9Very high97.4Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-96.9136.8171.9178.60000109.8L96 M157 V165 I185 A189 P195 F196 Y197L96-V163 HydrophobicContact CB-CG2 4.22Å; L96-V163 HydrophobicContact CD2-CG2 4.21Å; L96-V163 HydrophobicContact CG-CG2 4.5Å; L96-V163 CarbonylContact O-C 3.55Å; L96-V163 VanDerWaalsContact O-CA 3.32Å; L96-V163 WeakPolarHBondContact O-CA 3.18Å; M157-V163 HydrophobicContact CE-CG2 3.79Å; M157-V163 HydrophobicContact SD-CG2 3.94Å; V163-V165 HydrophobicContact CG1-CG1 3.81Å; V163-I185 HydrophobicContact CG1-CG2 3.74Å; V163-I185 HydrophobicContact CG2-CG2 3.95Å; V163-A189 HydrophobicContact CG2-CB 3.85Å; V163-P195 PolarHBondContact N-O 3.47Å; V163-F196 HydrophobicContact CB-CD2 3.64Å; V163-F196 HydrophobicContact CB-CE2 4.16Å; V163-F196 HydrophobicContact CB-CG 4.29Å; V163-F196 HydrophobicContact CG1-CD2 3.48Å; V163-F196 VanDerWaalsContact CG1-CD2 3.48Å; V163-F196 HydrophobicContact CG1-CE2 3.45Å; V163-F196 VanDerWaalsContact CG1-CE2 3.45Å; V163-F196 HydrophobicContact CG1-CG 4.32Å; V163-F196 HydrophobicContact CG1-CZ 4.27Å; V163-F196 HydrophobicContact CG2-CD2 4.16Å; V163-Y197 PolarHBondContact O-N 3.32Å
164L98.8Very high97.3Very high3 Ų330.7 Ų30.72%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-135108.4177.1-164.367.1000110.1I89 I95 L96 T97 L104 F162 Y197 L199I89-L164 HydrophobicContact CD1-CD2 4.36Å; I95-L164 HydrophobicContact CG2-CB 3.55Å; I95-L164 HydrophobicContact CG2-CD2 4.37Å; L96-L164 PolarHBondContact O-N 3.35Å; T97-L164 WeakPolarHBondContact CB-O 3.5Å; T97-L164 PolarHBondContact OG1-O 2.69Å; L104-L164 HydrophobicContact CD1-CB 4.2Å; L104-L164 HydrophobicContact CD1-CD2 3.44Å; L104-L164 VanDerWaalsContact CD1-CD2 3.44Å; L104-L164 HydrophobicContact CD1-CG 3.54Å; F162-L164 HydrophobicContact CD2-CB 4.23Å; F162-L164 HydrophobicContact CE2-CB 4.06Å; F162-L164 HydrophobicContact CE2-CD1 4.46Å; F162-L164 HydrophobicContact CE2-CD2 4.31Å; L164-Y197 WeakPolarHBondContact CA-O 3.23Å; L164-Y197 VanDerWaalsContact CD1-CB 3.41Å; L164-Y197 HydrophobicContact CD1-CD2 4.28Å; L164-Y197 HydrophobicContact CD1-CG 4.33Å; L164-L199 HydrophobicContact CD1-CD1 3.24Å; L164-L199 HydrophobicContact CD2-CD1 4.27Å; L164-L199 HydrophobicContact CG-CD1 3.73Å
165V98.8Very high97.3Very high0 Ų029.3 Ų29.30%014%0.144CC..EExtended strand (participates in β ladder)trans-120.7159.3-176.6-62.60000112.4H98 V163 I176 T182 F196 Y197 V198 L199H98-V165 HydrophobicContact CB-CG1 3.91Å; V163-V165 HydrophobicContact CG1-CG1 3.81Å; V165-I176 HydrophobicContact CG2-CD1 4.19Å; V165-T182 HydrophobicContact CG2-CG2 4.36Å; V165-F196 HydrophobicContact CG1-CZ 4.27Å; V165-F196 HydrophobicContact CG2-CE1 3.66Å; V165-F196 HydrophobicContact CG2-CZ 3.56Å; V165-Y197 PolarHBondContact N-O 3.24Å; V165-V198 HydrophobicContact CG2-CG2 4.08Å; V165-V198 CarbonylContact O-C 3.6Å; V165-V198 WeakPolarHBondContact O-CA 3.29Å; V165-L199 PolarHBondContact O-N 3.48Å
166G98.2Very high97.3Very high1 Ų120.2 Ų20.21%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-80.5175.2161.600000112.1N178 L199G166-N178 PolarHBondContact O-ND2 3.19Å; G166-N178 VanDerWaalsContact O-ND2 3.14Å; G166-N178 PolarHBondContact O-OD1 2.96Å; G166-L199 WeakPolarHBondContact CA-O 3.4Å
167A97.8Very high97.3Very high4 Ų419.3 Ų19.33%0.03310%0.104CC..  trans-132148.5165.500000111.7V170 I176 V198 L199 A200 K204A167-V170 HydrophobicContact CB-CG2 4.44Å; A167-I176 HydrophobicContact CB-CB 4.07Å; A167-I176 HydrophobicContact CB-CD1 4.43Å; A167-I176 HydrophobicContact CB-CG2 4.06Å; A167-V198 HydrophobicContact CB-CG1 3.86Å; A167-L199 PolarHBondContact N-O 3.38Å; A167-A200 HydrophobicContact CB-CB 4.09Å; A167-K204 WeakPolarHBondContact O-CD 2.99Å; A167-K204 PolarHBondContact O-NZ 3.45Å
168E95.8Very high97.2Very high43 Ų4320 Ų2020%0.20111%0.107CC..SBendtrans-85.3-32.9169.8-170176145.900111S29 I31 T32 I177 I240S29-E168 WeakPolarHBondContact CA-OE1 3.37Å; S29-E168 WeakPolarHBondContact CB-OE1 3.38Å; S29-E168 WeakPolarHBondContact OG-CG 3.42Å; S29-E168 PolarHBondContact OG-OE1 3.47Å; I31-E168 HydrophobicContact CB-CG 4.36Å; I31-E168 HydrophobicContact CD1-CG 4.42Å; T32-E168 PolarHBondContact OG1-O 2.94Å; E168-I177 WeakPolarHBondContact CA-O 3.21Å; E168-I177 WeakPolarHBondContact CB-O 3.46Å; E168-I177 PolarHBondContact N-O 2.5Å; E168-I240 WeakPolarHBondContact OE2-CG2 3.4Å
169G96.2Very high97.1Very high0 Ų014.1 Ų14.10%08%0.079CC..EExtended strand (participates in β ladder)trans-152.2152.9168.700000112.6I176 I177 K204G169-I176 CarbonylContact O-C 3.48Å; G169-I176 WeakPolarHBondContact O-CA 3.26Å; G169-I177 PolarHBondContact N-O 2.86Å; G169-I177 PolarHBondContact O-N 2.76Å; G169-K204 VanDerWaalsContact CA-O 3.24Å; G169-K204 WeakPolarHBondContact CA-O 3.3Å
170V97.3Very high97.1Very high0 Ų014.3 Ų14.30%08%0.076CC..EExtended strand (participates in β ladder)trans-111.8121.7169.7-173.70000107.7A167 I176 A200 K204 F205 V206 L251 V263A167-V170 HydrophobicContact CB-CG2 4.44Å; V170-I176 HydrophobicContact CG2-CG2 4.23Å; V170-A200 HydrophobicContact CG2-CB 3.6Å; V170-K204 PolarHBondContact N-O 2.57Å; V170-F205 HydrophobicContact CB-CD1 3.62Å; V170-F205 HydrophobicContact CB-CE1 3.7Å; V170-F205 HydrophobicContact CB-CG 4.18Å; V170-F205 HydrophobicContact CB-CZ 4.31Å; V170-F205 HydrophobicContact CG1-CD1 4.34Å; V170-F205 HydrophobicContact CG1-CE1 4.09Å; V170-F205 HydrophobicContact CG1-CZ 4.21Å; V170-F205 HydrophobicContact CG2-CD1 3.79Å; V170-F205 HydrophobicContact CG2-CE1 3.55Å; V170-F205 HydrophobicContact CG2-CZ 4.38Å; V170-F205 CarbonylContact O-C 3.22Å; V170-F205 WeakPolarHBondContact O-CA 3.35Å; V170-V206 VanDerWaalsContact O-CG2 3.3Å; V170-V206 WeakPolarHBondContact O-CG2 3.34Å; V170-V206 PolarHBondContact O-N 3.34Å; V170-L251 HydrophobicContact CG1-CD2 3.63Å; V170-L251 HydrophobicContact CG2-CD2 4.1Å; V170-V263 HydrophobicContact CG1-CG1 3.78Å; V170-V263 HydrophobicContact CG1-CG2 4.24Å
171V95.4Very high97.1Very high0 Ų015.1 Ų15.10%08%0.084CC..EExtended strand (participates in β ladder)trans-89.2158.4-177.7-61.70000111G174 G175 I177 V206 A208 P210 Y242V171-G174 WeakPolarHBondContact O-CA 3.49Å; V171-G174 PolarHBondContact O-N 3.1Å; V171-G175 WeakPolarHBondContact CG2-O 3.22Å; V171-G175 PolarHBondContact N-O 3.04Å; V171-I177 HydrophobicContact CG1-CD1 3.68Å; V171-I177 HydrophobicContact CG1-CG1 3.95Å; V171-V206 HydrophobicContact CG1-CG2 3.82Å; V171-A208 WeakPolarHBondContact CB-O 3.31Å; V171-A208 HydrophobicContact CG1-CB 4.17Å; V171-P210 HydrophobicContact CB-CG 4.23Å; V171-P210 HydrophobicContact CG1-CG 3.89Å; V171-P210 HydrophobicContact CG2-CG 3.99Å; V171-Y242 HydrophobicContact CG2-CD2 4.3Å; V171-Y242 HydrophobicContact CG2-CE2 3.54Å
172E93.1Very high97.1Very high15 Ų1511.5 Ų11.57%0.077%0.065CC..THydrogen-bonded Turntrans-56.4-36.8-169.8-163.9162.716500114.6G174 V206 A208 Y209 L267E172-G174 PolarHBondContact O-N 3.21Å; E172-G174 VanDerWaalsContact O-N 3.11Å; E172-V206 PolarHBondContact N-O 2.81Å; E172-A208 PolarHBondContact N-O 2.83Å; E172-Y209 HydrophobicContact CB-CD2 4.38Å; E172-Y209 HydrophobicContact CB-CE1 4.03Å; E172-Y209 HydrophobicContact CB-CE2 3.87Å; E172-Y209 HydrophobicContact CG-CE1 4.16Å; E172-Y209 HydrophobicContact CG-CE2 3.93Å; E172-Y209 WeakPolarHBondContact CG-OH 3.16Å; E172-Y209 PolarHBondContact OE1-OH 3.04Å; E172-Y209 WeakPolarHBondContact OE2-CE2 3.43Å; E172-L267 HydrophobicContact CB-CD1 4.25Å; E172-L267 HydrophobicContact CG-CD1 4.28Å
173P93.5Very high97Very high50 Ų5012.3 Ų12.333%0.3257%0.069SC..THydrogen-bonded Turntrans-68.80.1172-22.735.7000116Y209 P245P173-Y209 HydrophobicContact CG-CD1 3.47Å; P173-Y209 VanDerWaalsContact CG-CD1 3.47Å; P173-Y209 HydrophobicContact CG-CE1 3.83Å; P173-Y209 HydrophobicContact CG-CG 4.42Å; P173-P245 WeakPolarHBondContact O-CB 3.49Å; P173-P245 WeakPolarHBondContact O-CG 3.47Å
174G96Very high97Very high0 Ų016.1 Ų16.10%09%0.093CC..SBendtrans86.86-178.600000115.5V171 E172 P260V171-G174 WeakPolarHBondContact O-CA 3.49Å; V171-G174 PolarHBondContact O-N 3.1Å; E172-G174 PolarHBondContact O-N 3.21Å; E172-G174 VanDerWaalsContact O-N 3.11Å; G174-P260 WeakPolarHBondContact CA-O 3.43Å
175G97.4Very high97Very high0 Ų016 Ų160%09%0.092CC..  trans-78.1171.2167.900000111.8V171 T243V171-G175 WeakPolarHBondContact CG2-O 3.22Å; V171-G175 PolarHBondContact N-O 3.04Å; G175-T243 CarbonylContact C-O 3.59Å; G175-T243 VanDerWaalsContact CA-O 3.25Å; G175-T243 WeakPolarHBondContact CA-O 3.35Å
176I98.1Very high97Very high0 Ų016 Ų160%09%0.092CC..EExtended strand (participates in β ladder)trans-122.6151.4-179.463.5165.6000111.7V165 A167 G169 V170 N178 T182 F196 V198 Y242 T243 I248 L251V165-I176 HydrophobicContact CG2-CD1 4.19Å; A167-I176 HydrophobicContact CB-CB 4.07Å; A167-I176 HydrophobicContact CB-CD1 4.43Å; A167-I176 HydrophobicContact CB-CG2 4.06Å; G169-I176 CarbonylContact O-C 3.48Å; G169-I176 WeakPolarHBondContact O-CA 3.26Å; V170-I176 HydrophobicContact CG2-CG2 4.23Å; I176-N178 HydrophobicContact CD1-CB 4.21Å; I176-T182 HydrophobicContact CD1-CG2 3.9Å; I176-F196 HydrophobicContact CD1-CE1 4.37Å; I176-V198 HydrophobicContact CD1-CG1 4.18Å; I176-V198 HydrophobicContact CD1-CG2 3.81Å; I176-V198 HydrophobicContact CG2-CG1 3.85Å; I176-V198 HydrophobicContact CG2-CG2 4.24Å; I176-Y242 CarbonylContact O-C 3.56Å; I176-Y242 WeakPolarHBondContact O-CA 3.29Å; I176-Y242 WeakPolarHBondContact O-CD2 3.46Å; I176-T243 HydrophobicContact CG1-CG2 4.43Å; I176-T243 PolarHBondContact N-O 3.04Å; I176-T243 PolarHBondContact O-N 3.37Å; I176-I248 HydrophobicContact CB-CD1 4.33Å; I176-I248 HydrophobicContact CG1-CD1 3.95Å; I176-I248 HydrophobicContact CG2-CD1 3.83Å; I176-L251 HydrophobicContact CG2-CD2 4.26Å
177I97.5Very high97Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-107.3125.1163-58.4166000106.9I31 E168 G169 V171 L216 F220 I240 D241I31-I177 HydrophobicContact CD1-CB 3.85Å; I31-I177 HydrophobicContact CD1-CD1 3.8Å; I31-I177 HydrophobicContact CD1-CG1 4.43Å; I31-I177 HydrophobicContact CD1-CG2 3.38Å; E168-I177 WeakPolarHBondContact CA-O 3.21Å; E168-I177 WeakPolarHBondContact CB-O 3.46Å; E168-I177 PolarHBondContact N-O 2.5Å; G169-I177 PolarHBondContact N-O 2.86Å; G169-I177 PolarHBondContact O-N 2.76Å; V171-I177 HydrophobicContact CG1-CD1 3.68Å; V171-I177 HydrophobicContact CG1-CG1 3.95Å; I177-L216 HydrophobicContact CD1-CD2 3.62Å; I177-L216 HydrophobicContact CG1-CD2 3.91Å; I177-F220 HydrophobicContact CD1-CD2 3.74Å; I177-F220 HydrophobicContact CD1-CE2 4.03Å; I177-I240 HydrophobicContact CG2-CB 3.89Å; I177-I240 HydrophobicContact CG2-CD1 3.71Å; I177-I240 HydrophobicContact CG2-CG1 3.82Å; I177-I240 HydrophobicContact CG2-CG2 4.48Å; I177-D241 WeakPolarHBondContact CA-O 3.41Å
178N97.3Very high97.1Very high14 Ų1422 Ų228%0.07512%0.124CC..EExtended strand (participates in β ladder)trans-151.4176.6-178.9-16840.2000110.6G166 I176 I180 T182 I240 D241G166-N178 PolarHBondContact O-ND2 3.19Å; G166-N178 VanDerWaalsContact O-ND2 3.14Å; G166-N178 PolarHBondContact O-OD1 2.96Å; I176-N178 HydrophobicContact CD1-CB 4.21Å; N178-I180 PolarHBondContact O-N 3.19Å; N178-T182 HydrophobicContact CB-CG2 4.07Å; N178-T182 WeakPolarHBondContact CB-OG1 3.29Å; N178-T182 PolarHBondContact ND2-OG1 3.19Å; N178-I240 CarbonylContact O-C 3.48Å; N178-I240 WeakPolarHBondContact O-CA 3.45Å; N178-I240 WeakPolarHBondContact O-CB 3.48Å; N178-D241 PolarHBondContact N-O 3.33Å; N178-D241 VanDerWaalsContact N-O 3.16Å; N178-D241 PolarHBondContact O-N 2.92Å
179K96.6Very high97.2Very high25 Ų2520 Ų2011%0.10911%0.114CC..EExtended strand (participates in β ladder)trans-42.8137.9177.6177.972.187.5-178.60112.3H98 A99 D128 S130 G181 T182H98-K179 WeakPolarHBondContact NE2-CB 3.43Å; H98-K179 WeakPolarHBondContact NE2-CG 3.32Å; H98-K179 PolarHBondContact NE2-O 2.9Å; A99-K179 HydrophobicContact CB-CB 3.76Å; A99-K179 HydrophobicContact CB-CG 3.87Å; D128-K179 IonicContact OD1-NZ 3.94Å; D128-K179 PolarHBondContact OD1-NZ 3.29Å; D128-K179 IonicContact OD2-NZ 3.81Å; D128-K179 PolarHBondContact OD2-NZ 2.92Å; S130-K179 WeakPolarHBondContact OG-CE 3.22Å; K179-G181 PolarHBondContact O-N 2.67Å; K179-T182 WeakPolarHBondContact O-CB 3.37Å; K179-T182 PolarHBondContact O-N 3.4Å; K179-T182 PolarHBondContact O-OG1 2.86Å
180I96.8Very high97.3Very high57 Ų5725.6 Ų25.629%0.29214%0.139SC..THydrogen-bonded Turntrans-52.1127176.1-172.960.2000111.3H98 N178 P238 R239 D241H98-I180 PolarHBondContact CE1-O 2.84Å; H98-I180 PolarHBondContact NE2-O 3.44Å; N178-I180 PolarHBondContact O-N 3.19Å; I180-P238 WeakPolarHBondContact CB-O 3.15Å; I180-P238 HydrophobicContact CD1-CG 4.04Å; I180-P238 HydrophobicContact CG1-CG 4.5Å; I180-P238 WeakPolarHBondContact CG2-O 3.32Å; I180-R239 PolarHBondContact N-O 3.03Å; I180-D241 HydrophobicContact CD1-CB 3.92Å
181G97.6Very high97.4Very high16 Ų1629.5 Ų29.517%0.16517%0.172CC..THydrogen-bonded Turntrans106.5-10.4-171.300000113.3K179 L183 T184 I185 D241K179-G181 PolarHBondContact O-N 2.67Å; G181-L183 VanDerWaalsContact C-N 3.34Å; G181-L183 PolarHBondContact O-N 2.9Å; G181-T184 PolarHBondContact O-N 3.01Å; G181-T184 PolarHBondContact O-OG1 2.61Å; G181-I185 WeakPolarHBondContact O-CD1 3.46Å; G181-I185 VanDerWaalsContact O-CG1 3.24Å; G181-I185 WeakPolarHBondContact O-CG1 3.34Å; G181-I185 PolarHBondContact O-N 2.97Å; G181-I185 VanDerWaalsContact O-N 3.09Å; G181-D241 PolarHBondContact N-OD2 2.9Å
182T98.5Very high97.5Very high0 Ų033.5 Ų33.50%019%0.191CC..Hα-helixtrans-63.2-42.5175.9-56.40000111.2H98 V165 I176 N178 K179 T184 I185 A186 F196 D241 T243H98-T182 PolarHBondContact CD2-OG1 3.42Å; H98-T182 VanDerWaalsContact CD2-OG1 3.24Å; V165-T182 HydrophobicContact CG2-CG2 4.36Å; I176-T182 HydrophobicContact CD1-CG2 3.9Å; N178-T182 HydrophobicContact CB-CG2 4.07Å; N178-T182 WeakPolarHBondContact CB-OG1 3.29Å; N178-T182 PolarHBondContact ND2-OG1 3.19Å; K179-T182 WeakPolarHBondContact O-CB 3.37Å; K179-T182 PolarHBondContact O-N 3.4Å; K179-T182 PolarHBondContact O-OG1 2.86Å; T182-T184 PolarHBondContact O-N 3.44Å; T182-I185 PolarHBondContact O-N 2.9Å; T182-A186 WeakPolarHBondContact O-CB 3.39Å; T182-A186 PolarHBondContact O-N 3.29Å; T182-F196 HydrophobicContact CG2-CZ 3.84Å; T182-D241 PolarHBondContact N-OD2 3.2Å; T182-T243 WeakPolarHBondContact CG2-OG1 3.38Å
183L98.4Very high97.8Very high31 Ų3139.8 Ų39.816%0.16223%0.225CC..Hα-helixtrans-61.7-42.8177.5173.461000111.8G181 I185 A186 M187 Q213 D241 T243 Y247G181-L183 VanDerWaalsContact C-N 3.34Å; G181-L183 PolarHBondContact O-N 2.9Å; L183-I185 VanDerWaalsContact C-N 3.34Å; L183-I185 PolarHBondContact O-N 3Å; L183-A186 PolarHBondContact O-N 3.06Å; L183-M187 HydrophobicContact CD1-CG 4.02Å; L183-M187 HydrophobicContact CD1-SD 4.17Å; L183-M187 HydrophobicContact CG-CG 4.35Å; L183-M187 HydrophobicContact CG-SD 4Å; L183-M187 VanDerWaalsContact O-CG 3.29Å; L183-M187 WeakPolarHBondContact O-CG 3.4Å; L183-M187 PolarHBondContact O-N 3.39Å; L183-Q213 VanDerWaalsContact CD2-NE2 3.31Å; L183-D241 HydrophobicContact CB-CB 4.44Å; L183-D241 PolarHBondContact N-OD1 3.25Å; L183-D241 VanDerWaalsContact N-OD1 3.13Å; L183-D241 PolarHBondContact N-OD2 3Å; L183-D241 VanDerWaalsContact N-OD2 3.13Å; L183-T243 WeakPolarHBondContact CA-OG1 3.45Å; L183-T243 PolarHBondContact N-OG1 3.37Å; L183-Y247 HydrophobicContact CD1-CD2 4.19Å; L183-Y247 HydrophobicContact CD1-CE2 3.99Å
184T98.1Very high98Very high80 Ų8039.7 Ų39.749%0.49122%0.22SC..Hα-helixtrans-66.4-39.5-178.855.90000111.2G181 T182 A186 M187 C188G181-T184 PolarHBondContact O-N 3.01Å; G181-T184 PolarHBondContact O-OG1 2.61Å; T182-T184 PolarHBondContact O-N 3.44Å; T184-A186 VanDerWaalsContact C-N 3.34Å; T184-A186 PolarHBondContact O-N 2.96Å; T184-M187 PolarHBondContact O-N 3.2Å; T184-C188 PolarHBondContact O-N 3.21Å; T184-C188 PolarHBondContact O-SG 3.42Å; T184-C188 VanDerWaalsContact O-SG 3.42Å
185I98.8Very high98.1Very high1 Ų141.5 Ų41.51%0.00523%0.231CC..Hα-helixtrans-60-45.4171.9-63.4164.9000110.7L96 H98 T123 V153 M157 V163 G181 T182 L183 M187 C188 A189 F196L96-I185 HydrophobicContact CD2-CG2 3.99Å; H98-I185 HydrophobicContact CB-CD1 3.58Å; H98-I185 VanDerWaalsContact CG-CD1 3.47Å; H98-I185 WeakPolarHBondContact ND1-CD1 3.43Å; T123-I185 HydrophobicContact CG2-CD1 3.94Å; V153-I185 HydrophobicContact CB-CG1 4.46Å; V153-I185 HydrophobicContact CG1-CB 4.23Å; V153-I185 HydrophobicContact CG1-CG1 3.75Å; V153-I185 HydrophobicContact CG1-CG2 4.5Å; V153-I185 HydrophobicContact CG2-CD1 4.47Å; V153-I185 HydrophobicContact CG2-CG1 3.82Å; M157-I185 HydrophobicContact CE-CG2 4.14Å; V163-I185 HydrophobicContact CG1-CG2 3.74Å; V163-I185 HydrophobicContact CG2-CG2 3.95Å; G181-I185 WeakPolarHBondContact O-CD1 3.46Å; G181-I185 VanDerWaalsContact O-CG1 3.24Å; G181-I185 WeakPolarHBondContact O-CG1 3.34Å; G181-I185 PolarHBondContact O-N 2.97Å; G181-I185 VanDerWaalsContact O-N 3.09Å; T182-I185 PolarHBondContact O-N 2.9Å; L183-I185 VanDerWaalsContact C-N 3.34Å; L183-I185 PolarHBondContact O-N 3Å; I185-M187 VanDerWaalsContact C-N 3.35Å; I185-M187 PolarHBondContact O-N 3.36Å; I185-C188 PolarHBondContact O-N 3.43Å; I185-A189 WeakPolarHBondContact O-CB 3.41Å; I185-A189 PolarHBondContact O-N 2.93Å; I185-F196 HydrophobicContact CG2-CE2 4.08Å
186A98.8Very high98.2Very high0 Ų041.5 Ų41.50%023%0.232CC..Hα-helixtrans-64.5-38.6-179.900000112.5T182 L183 T184 A189 K190 F196 T243 Y247T182-A186 WeakPolarHBondContact O-CB 3.39Å; T182-A186 PolarHBondContact O-N 3.29Å; L183-A186 PolarHBondContact O-N 3.06Å; T184-A186 VanDerWaalsContact C-N 3.34Å; T184-A186 PolarHBondContact O-N 2.96Å; A186-A189 PolarHBondContact O-N 3.24Å; A186-K190 WeakPolarHBondContact O-CB 3.08Å; A186-K190 PolarHBondContact O-N 3.47Å; A186-F196 HydrophobicContact CB-CD2 3.79Å; A186-F196 HydrophobicContact CB-CE1 4.44Å; A186-F196 HydrophobicContact CB-CE2 3.49Å; A186-F196 VanDerWaalsContact CB-CE2 3.49Å; A186-F196 HydrophobicContact CB-CG 4.37Å; A186-F196 HydrophobicContact CB-CZ 3.86Å; A186-T243 HydrophobicContact CB-CG2 3.56Å; A186-Y247 HydrophobicContact CB-CG 4.19Å
187M98.6Very high98.2Very high92 Ų9243.1 Ų43.145%0.45324%0.238SC..Hα-helixtrans-63.5-46.1173.5-71.8175.568.300111.8L183 T184 I185 K190 A191 Y247L183-M187 HydrophobicContact CD1-CG 4.02Å; L183-M187 HydrophobicContact CD1-SD 4.17Å; L183-M187 HydrophobicContact CG-CG 4.35Å; L183-M187 HydrophobicContact CG-SD 4Å; L183-M187 VanDerWaalsContact O-CG 3.29Å; L183-M187 WeakPolarHBondContact O-CG 3.4Å; L183-M187 PolarHBondContact O-N 3.39Å; T184-M187 PolarHBondContact O-N 3.2Å; I185-M187 VanDerWaalsContact C-N 3.35Å; I185-M187 PolarHBondContact O-N 3.36Å; M187-K190 PolarHBondContact O-N 2.85Å; M187-A191 WeakPolarHBondContact O-CB 3.32Å; M187-A191 PolarHBondContact O-N 3.03Å; M187-Y247 HydrophobicContact CB-CE1 4.39Å; M187-Y247 HydrophobicContact CG-CE1 3.81Å; M187-Y247 HydrophobicContact CG-CE2 4.46Å
188C98.6Very high98.3Very high38 Ų3843.1 Ų43.126%0.25724%0.238SC..Hα-helixtrans-62.1-43.5176-72.30000111.9V153 M157 T184 I185 K190 A191 M192V153-C188 HydrophobicContact CG1-CB 4.05Å; M157-C188 HydrophobicContact CE-CB 3.81Å; M157-C188 HydrophobicContact CG-CB 4.41Å; T184-C188 PolarHBondContact O-N 3.21Å; T184-C188 PolarHBondContact O-SG 3.42Å; T184-C188 VanDerWaalsContact O-SG 3.42Å; I185-C188 PolarHBondContact O-N 3.43Å; C188-K190 VanDerWaalsContact C-N 3.35Å; C188-K190 PolarHBondContact O-N 3.25Å; C188-A191 PolarHBondContact O-N 3.46Å; C188-M192 PolarHBondContact O-N 3.44Å; C188-M192 VanDerWaalsContact O-N 3.09Å
189A98.8Very high98.4Very high0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-59.9-47177.800000110.9M157 V163 I185 A186 A191 M192 N193 K194 F196M157-A189 HydrophobicContact CE-CB 3.91Å; M157-A189 HydrophobicContact SD-CB 3.95Å; V163-A189 HydrophobicContact CG2-CB 3.85Å; I185-A189 WeakPolarHBondContact O-CB 3.41Å; I185-A189 PolarHBondContact O-N 2.93Å; A186-A189 PolarHBondContact O-N 3.24Å; A189-A191 PolarHBondContact O-N 3.41Å; A189-M192 CarbonylContact O-C 3.45Å; A189-M192 PolarHBondContact O-N 2.88Å; A189-N193 PolarHBondContact O-N 3.13Å; A189-K194 HydrophobicContact CB-CB 4.22Å; A189-K194 PolarHBondContact O-N 3.13Å; A189-F196 HydrophobicContact CB-CD2 4.21Å
190K98.6Very high98.4Very high118 Ų11841.2 Ų41.251%0.51323%0.229SC..Hα-helixtrans-61.6-44.6177.3-174.669.6175.5-165.40112.5A186 M187 C188 M192 N193 Y247A186-K190 WeakPolarHBondContact O-CB 3.08Å; A186-K190 PolarHBondContact O-N 3.47Å; M187-K190 PolarHBondContact O-N 2.85Å; C188-K190 VanDerWaalsContact C-N 3.35Å; C188-K190 PolarHBondContact O-N 3.25Å; K190-M192 PolarHBondContact O-N 2.86Å; K190-N193 PolarHBondContact O-N 2.81Å; K190-Y247 HydrophobicContact CB-CD1 3.7Å; K190-Y247 HydrophobicContact CB-CE1 4.05Å; K190-Y247 HydrophobicContact CG-CD1 4.02Å; K190-Y247 HydrophobicContact CG-CE1 4.17Å
191A98.4Very high98.4Very high83 Ų8338.8 Ų38.869%0.68622%0.216SC*.Hα-helixtrans-62.1-32.5179.100000112.7M187 C188 A189M187-A191 WeakPolarHBondContact O-CB 3.32Å; M187-A191 PolarHBondContact O-N 3.03Å; C188-A191 PolarHBondContact O-N 3.46Å; A189-A191 PolarHBondContact O-N 3.41Å
192M98.3Very high98.3Very high83 Ų8338.6 Ų38.641%0.40921%0.212SC..THydrogen-bonded Turntrans-98.812.7178.7-65.3-169.717200113.8G154 M157 E158 C188 A189 K190 K194G154-M192 WeakPolarHBondContact O-CE 3.03Å; M157-M192 HydrophobicContact CB-SD 3.53Å; M157-M192 VanDerWaalsContact CB-SD 3.53Å; M157-M192 HydrophobicContact CG-CB 4.08Å; M157-M192 HydrophobicContact CG-CG 4.19Å; M157-M192 HydrophobicContact CG-SD 3.53Å; M157-M192 VanDerWaalsContact CG-SD 3.53Å; E158-M192 HydrophobicContact CB-SD 4.43Å; C188-M192 PolarHBondContact O-N 3.44Å; C188-M192 VanDerWaalsContact O-N 3.09Å; A189-M192 CarbonylContact O-C 3.45Å; A189-M192 PolarHBondContact O-N 2.88Å; K190-M192 PolarHBondContact O-N 2.86Å; M192-K194 HydrophobicContact CB-CG 4.07Å; M192-K194 PolarHBondContact O-N 3.11Å
193N98.2Very high98.2Very high147 Ų14739.2 Ų39.279%0.78622%0.216SC*.THydrogen-bonded Turntrans53.831.7-178.2-56.9-64.3000114.2A189 K190A189-N193 PolarHBondContact O-N 3.13Å; K190-N193 PolarHBondContact O-N 2.81Å
194K98.7Very high98Very high48 Ų4839.2 Ų39.221%0.20922%0.215CC..  trans-88.1133.4174.5-57.1-63.9-178.7156.30109.5M157 E158 V160 A189 M192M157-K194 HydrophobicContact CG-CG 4.08Å; M157-K194 VanDerWaalsContact O-CE 3.23Å; M157-K194 WeakPolarHBondContact O-CE 3.5Å; M157-K194 HydrophobicContact SD-CB 4.05Å; M157-K194 HydrophobicContact SD-CG 3.92Å; E158-K194 PolarHBondContact O-NZ 2.71Å; V160-K194 WeakPolarHBondContact O-CD 3.15Å; V160-K194 WeakPolarHBondContact O-CE 3.06Å; V160-K194 PolarHBondContact O-NZ 3.11Å; A189-K194 HydrophobicContact CB-CB 4.22Å; A189-K194 PolarHBondContact O-N 3.13Å; M192-K194 HydrophobicContact CB-CG 4.07Å; M192-K194 PolarHBondContact O-N 3.11Å
195P98.6Very high97.9Very high38 Ų3835.4 Ų35.425%0.24719%0.191CC..  trans-61.5141.6175.2-21.432.5000111.9D161 F162 V163 Y197 N249D161-P195 WeakPolarHBondContact O-CD 3.25Å; F162-P195 WeakPolarHBondContact CA-O 3.49Å; F162-P195 HydrophobicContact CB-CB 4.04Å; F162-P195 HydrophobicContact CB-CG 4.3Å; F162-P195 WeakPolarHBondContact CB-O 3.23Å; V163-P195 PolarHBondContact N-O 3.47Å; P195-Y197 HydrophobicContact CB-CE1 3.9Å; P195-Y197 HydrophobicContact CB-CE2 3.88Å; P195-Y197 VanDerWaalsContact CB-CZ 3.48Å; P195-Y197 WeakPolarHBondContact CB-OH 3.47Å; P195-N249 WeakPolarHBondContact CA-OD1 3.09Å
196F98.8Very high97.6Very high1 Ų135.9 Ų35.90%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-119114.2175.9-169.9-79.9000110.2V163 V165 I176 T182 I185 A186 A189 V198 Y247 I248 N249V163-F196 HydrophobicContact CB-CD2 3.64Å; V163-F196 HydrophobicContact CB-CE2 4.16Å; V163-F196 HydrophobicContact CB-CG 4.29Å; V163-F196 HydrophobicContact CG1-CD2 3.48Å; V163-F196 VanDerWaalsContact CG1-CD2 3.48Å; V163-F196 HydrophobicContact CG1-CE2 3.45Å; V163-F196 VanDerWaalsContact CG1-CE2 3.45Å; V163-F196 HydrophobicContact CG1-CG 4.32Å; V163-F196 HydrophobicContact CG1-CZ 4.27Å; V163-F196 HydrophobicContact CG2-CD2 4.16Å; V165-F196 HydrophobicContact CG1-CZ 4.27Å; V165-F196 HydrophobicContact CG2-CE1 3.66Å; V165-F196 HydrophobicContact CG2-CZ 3.56Å; I176-F196 HydrophobicContact CD1-CE1 4.37Å; T182-F196 HydrophobicContact CG2-CZ 3.84Å; I185-F196 HydrophobicContact CG2-CE2 4.08Å; A186-F196 HydrophobicContact CB-CD2 3.79Å; A186-F196 HydrophobicContact CB-CE1 4.44Å; A186-F196 HydrophobicContact CB-CE2 3.49Å; A186-F196 VanDerWaalsContact CB-CE2 3.49Å; A186-F196 HydrophobicContact CB-CG 4.37Å; A186-F196 HydrophobicContact CB-CZ 3.86Å; A189-F196 HydrophobicContact CB-CD2 4.21Å; F196-V198 HydrophobicContact CD1-CG2 4.1Å; F196-V198 HydrophobicContact CE1-CG2 3.75Å; F196-Y247 VanDerWaalsContact CB-O 3.27Å; F196-Y247 WeakPolarHBondContact CB-O 3.01Å; F196-I248 HydrophobicContact CD1-CG1 4.16Å; F196-I248 HydrophobicContact CE1-CG1 4.31Å; F196-N249 PolarHBondContact N-OD1 2.92Å; F196-N249 WeakPolarHBondContact O-CB 3.34Å; F196-N249 PolarHBondContact O-N 3.39Å
197Y98.9Very high97.1Very high33 Ų3343 Ų4313%0.12922%0.221CC..EExtended strand (participates in β ladder)trans-115.1143.9-175.4-61.7-40.6000111.5F88 F162 V163 L164 V165 P195 N249 L250 F252F88-Y197 HydrophobicContact CD1-CE2 4.12Å; F162-Y197 HydrophobicContact CB-CD2 4.27Å; F162-Y197 HydrophobicContact CB-CE2 4.02Å; F162-Y197 AromaticContact CD2-CD2 3.62Å; F162-Y197 HydrophobicContact CD2-CD2 3.62Å; F162-Y197 AromaticContact CD2-CE2 3.93Å; F162-Y197 HydrophobicContact CD2-CE2 3.93Å; F162-Y197 HydrophobicContact CE2-CD2 4.2Å; F162-Y197 HydrophobicContact CG-CD2 4.1Å; F162-Y197 AromaticContact CG-CE2 3.95Å; F162-Y197 HydrophobicContact CG-CE2 3.95Å; V163-Y197 PolarHBondContact O-N 3.32Å; L164-Y197 WeakPolarHBondContact CA-O 3.23Å; L164-Y197 VanDerWaalsContact CD1-CB 3.41Å; L164-Y197 HydrophobicContact CD1-CD2 4.28Å; L164-Y197 HydrophobicContact CD1-CG 4.33Å; V165-Y197 PolarHBondContact N-O 3.24Å; P195-Y197 HydrophobicContact CB-CE1 3.9Å; P195-Y197 HydrophobicContact CB-CE2 3.88Å; P195-Y197 VanDerWaalsContact CB-CZ 3.48Å; P195-Y197 WeakPolarHBondContact CB-OH 3.47Å; Y197-N249 HydrophobicContact CD1-CB 4.08Å; Y197-N249 HydrophobicContact CE1-CB 3.88Å; Y197-L250 HydrophobicContact CD1-CB 3.88Å; Y197-L250 HydrophobicContact CD1-CD1 4.37Å; Y197-L250 HydrophobicContact CD1-CG 4.33Å; Y197-L250 HydrophobicContact CE1-CB 4.22Å; Y197-L250 HydrophobicContact CE1-CD1 3.93Å; Y197-L250 HydrophobicContact CE1-CG 4.16Å; Y197-F252 HydrophobicContact CD1-CE2 4.14Å; Y197-F252 HydrophobicContact CD2-CE2 4.47Å; Y197-F252 AromaticContact CG-CE2 3.9Å; Y197-F252 HydrophobicContact CG-CE2 3.9Å
198V98.9Very high96.7Very high0 Ų039.6 Ų39.60%021%0.207CC..EExtended strand (participates in β ladder)trans-122.1134.3-178-177.90000110.1V165 A167 I176 F196 A200 I248 L250 L251 F252V165-V198 HydrophobicContact CG2-CG2 4.08Å; V165-V198 CarbonylContact O-C 3.6Å; V165-V198 WeakPolarHBondContact O-CA 3.29Å; A167-V198 HydrophobicContact CB-CG1 3.86Å; I176-V198 HydrophobicContact CD1-CG1 4.18Å; I176-V198 HydrophobicContact CD1-CG2 3.81Å; I176-V198 HydrophobicContact CG2-CG1 3.85Å; I176-V198 HydrophobicContact CG2-CG2 4.24Å; F196-V198 HydrophobicContact CD1-CG2 4.1Å; F196-V198 HydrophobicContact CE1-CG2 3.75Å; V198-A200 HydrophobicContact CG1-CB 4.39Å; V198-I248 HydrophobicContact CG2-CD1 4.32Å; V198-I248 HydrophobicContact CG2-CG1 4.26Å; V198-I248 HydrophobicContact CG2-CG2 3.88Å; V198-L250 PolarHBondContact N-O 3.24Å; V198-L251 HydrophobicContact CB-CG 4.3Å; V198-L251 CarbonylContact O-C 3.56Å; V198-L251 WeakPolarHBondContact O-CA 3.46Å; V198-F252 PolarHBondContact O-N 3.39Å
199L98.8Very high96.3Very high0 Ų044.5 Ų44.50%022%0.222CC..EExtended strand (participates in β ladder)trans-107120.7170.3-80.760000108.4I81 V103 L104 A107 L164 V165 G166 A167 F252I81-L199 HydrophobicContact CG2-CB 3.95Å; I81-L199 HydrophobicContact CG2-CD2 4.16Å; I81-L199 HydrophobicContact CG2-CG 3.74Å; V103-L199 HydrophobicContact CG1-CB 3.79Å; V103-L199 HydrophobicContact CG2-CB 4.1Å; V103-L199 HydrophobicContact CG2-CD2 4.48Å; L104-L199 HydrophobicContact CD1-CD2 4Å; A107-L199 HydrophobicContact CB-CD2 3.53Å; L164-L199 HydrophobicContact CD1-CD1 3.24Å; L164-L199 HydrophobicContact CD2-CD1 4.27Å; L164-L199 HydrophobicContact CG-CD1 3.73Å; V165-L199 PolarHBondContact O-N 3.48Å; G166-L199 WeakPolarHBondContact CA-O 3.4Å; A167-L199 PolarHBondContact N-O 3.38Å; L199-F252 HydrophobicContact CD1-CB 4.18Å; L199-F252 HydrophobicContact CD1-CD2 3.87Å; L199-F252 HydrophobicContact CD1-CG 4.32Å; L199-F252 HydrophobicContact CG-CB 4.14Å
200A97.8Very high95.9Very high0 Ų045 Ų450%023%0.225CC..  trans-148.3131-178.200000111.9I81 A167 V170 V198 F252 T253I81-A200 WeakPolarHBondContact CD1-O 3.15Å; A167-A200 HydrophobicContact CB-CB 4.09Å; V170-A200 HydrophobicContact CG2-CB 3.6Å; V198-A200 HydrophobicContact CG1-CB 4.39Å; A200-F252 PolarHBondContact N-O 2.94Å; A200-T253 WeakPolarHBondContact O-CA 3.43Å
201E96.9Very high95.5Very high6 Ų646.7 Ų46.73%0.02824%0.238CC..  trans-65.8134167.3-54.696.3141.500110.3S77 R78 I81 V203 K204S77-E201 VanDerWaalsContact OG-CG 3.27Å; S77-E201 WeakPolarHBondContact OG-CG 3.16Å; R78-E201 HydrophobicContact CG-CG 4.08Å; R78-E201 WeakPolarHBondContact CG-OE1 3.13Å; R78-E201 IonicContact CZ-OE1 3.5Å; R78-E201 IonicContact NE-OE1 3.56Å; R78-E201 PolarHBondContact NE-OE1 3.15Å; R78-E201 IonicContact NH2-OE1 2.83Å; I81-E201 HydrophobicContact CD1-CB 4.38Å; I81-E201 HydrophobicContact CD1-CG 3.99Å; E201-V203 HydrophobicContact CB-CG1 3.79Å; E201-V203 PolarHBondContact O-N 3.41Å; E201-V203 VanDerWaalsContact O-N 3.1Å; E201-K204 WeakPolarHBondContact O-CB 3.49Å; E201-K204 PolarHBondContact O-N 3.35Å; E201-K204 IonicContact OE1-NZ 2.77Å; E201-K204 WeakPolarHBondContact OE2-CD 3.39Å; E201-K204 WeakPolarHBondContact OE2-CE 3.29Å; E201-K204 IonicContact OE2-NZ 3.91Å; E201-K204 PolarHBondContact OE2-NZ 3.44Å
202S95.5Very high95.2Very high11 Ų1146.4 Ų46.48%0.07723%0.225CC..G310 helixtrans-57.2-25.9178.867.60000112.7K204 F205 D254S202-K204 PolarHBondContact O-N 2.89Å; S202-K204 VanDerWaalsContact O-N 3.12Å; S202-F205 VanDerWaalsContact O-CB 3.3Å; S202-F205 WeakPolarHBondContact O-CB 3.43Å; S202-F205 WeakPolarHBondContact O-CG 3.41Å; S202-F205 PolarHBondContact O-N 2.98Å; S202-D254 WeakPolarHBondContact CB-OD1 3.41Å; S202-D254 PolarHBondContact N-OD1 3.1Å; S202-D254 VanDerWaalsContact OG-CG 3.28Å; S202-D254 PolarHBondContact OG-OD1 3.44Å; S202-D254 VanDerWaalsContact OG-OD1 3.1Å; S202-D254 PolarHBondContact OG-OD2 2.81Å
203V94.8Very high95.1Very high13 Ų1345.4 Ų45.48%0.07922%0.219CC..G310 helixtrans-60.2-19.417375.50000113.6S35 A36 L39 F70 V74 E201S35-V203 WeakPolarHBondContact CB-O 3.34Å; S35-V203 PolarHBondContact OG-O 3.44Å; A36-V203 HydrophobicContact CB-CG2 3.78Å; L39-V203 HydrophobicContact CD1-CB 4.36Å; L39-V203 HydrophobicContact CD1-CG2 4.05Å; F70-V203 HydrophobicContact CZ-CG2 3.89Å; V74-V203 HydrophobicContact CG1-CG1 4.31Å; V74-V203 HydrophobicContact CG2-CB 4.26Å; V74-V203 HydrophobicContact CG2-CG2 4Å; E201-V203 HydrophobicContact CB-CG1 3.79Å; E201-V203 PolarHBondContact O-N 3.41Å; E201-V203 VanDerWaalsContact O-N 3.1Å
204K95.3Very high94.8Very high31 Ų3146.6 Ų46.614%0.13522%0.22CC..G310 helixtrans-93.86.6177.7-61.9176.5173.3167.30113.2A167 G169 V170 E201 S202A167-K204 WeakPolarHBondContact O-CD 2.99Å; A167-K204 PolarHBondContact O-NZ 3.45Å; G169-K204 VanDerWaalsContact CA-O 3.24Å; G169-K204 WeakPolarHBondContact CA-O 3.3Å; V170-K204 PolarHBondContact N-O 2.57Å; E201-K204 WeakPolarHBondContact O-CB 3.49Å; E201-K204 PolarHBondContact O-N 3.35Å; E201-K204 IonicContact OE1-NZ 2.77Å; E201-K204 WeakPolarHBondContact OE2-CD 3.39Å; E201-K204 WeakPolarHBondContact OE2-CE 3.29Å; E201-K204 IonicContact OE2-NZ 3.91Å; E201-K204 PolarHBondContact OE2-NZ 3.44Å; S202-K204 PolarHBondContact O-N 2.89Å; S202-K204 VanDerWaalsContact O-N 3.12Å
205F95.1Very high94.3Very high0 Ų046.5 Ų46.50%023%0.233CC..EExtended strand (participates in β ladder)trans-72.8132.3175.5-76.630.7000108.4V170 S202 T253 L258 V263 L267 L270 Y271V170-F205 HydrophobicContact CB-CD1 3.62Å; V170-F205 HydrophobicContact CB-CE1 3.7Å; V170-F205 HydrophobicContact CB-CG 4.18Å; V170-F205 HydrophobicContact CB-CZ 4.31Å; V170-F205 HydrophobicContact CG1-CD1 4.34Å; V170-F205 HydrophobicContact CG1-CE1 4.09Å; V170-F205 HydrophobicContact CG1-CZ 4.21Å; V170-F205 HydrophobicContact CG2-CD1 3.79Å; V170-F205 HydrophobicContact CG2-CE1 3.55Å; V170-F205 HydrophobicContact CG2-CZ 4.38Å; V170-F205 CarbonylContact O-C 3.22Å; V170-F205 WeakPolarHBondContact O-CA 3.35Å; S202-F205 VanDerWaalsContact O-CB 3.3Å; S202-F205 WeakPolarHBondContact O-CB 3.43Å; S202-F205 WeakPolarHBondContact O-CG 3.41Å; S202-F205 PolarHBondContact O-N 2.98Å; F205-T253 HydrophobicContact CE1-CG2 4.16Å; F205-T253 HydrophobicContact CZ-CG2 3.88Å; F205-L258 HydrophobicContact CE2-CD1 4.22Å; F205-L258 HydrophobicContact CZ-CD1 4.12Å; F205-V263 HydrophobicContact CD2-CG1 4.09Å; F205-V263 HydrophobicContact CE2-CG1 3.82Å; F205-V263 HydrophobicContact CZ-CG1 4.48Å; F205-L267 HydrophobicContact CB-CD1 4.08Å; F205-L267 HydrophobicContact CB-CG 4.31Å; F205-L267 HydrophobicContact CD2-CD1 4.5Å; F205-L270 HydrophobicContact CB-CD1 4.45Å; F205-L270 HydrophobicContact CD2-CD1 4.19Å; F205-L270 HydrophobicContact CG-CD1 4.48Å; F205-Y271 PolarHBondContact O-OH 3.26Å
206V92.2Very high94Very high11 Ų1144.9 Ų44.97%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-126.2137.1-174.2-75.30000111.6I31 V170 V171 E172 A208I31-V206 HydrophobicContact CG2-CG1 3.78Å; I31-V206 HydrophobicContact CG2-CG2 4.45Å; V170-V206 VanDerWaalsContact O-CG2 3.3Å; V170-V206 WeakPolarHBondContact O-CG2 3.34Å; V170-V206 PolarHBondContact O-N 3.34Å; V171-V206 HydrophobicContact CG1-CG2 3.82Å; E172-V206 PolarHBondContact N-O 2.81Å; V206-A208 HydrophobicContact CG2-CB 4.29Å; V206-A208 PolarHBondContact O-N 3.44Å
207R89.2Confident93.6Very high150 Ų15046.8 Ų46.857%0.56623%0.234SC*.  trans-74.973.8170.2-62.7-16674.8-1686.7110.6L267 Y271R207-L267 HydrophobicContact CG-CD2 3.51Å; R207-Y271 HydrophobicContact CG-CD1 4.3Å; R207-Y271 HydrophobicContact CG-CE1 3.91Å
208A89.5Confident93.3Very high20 Ų2049.7 Ų49.717%0.16525%0.252CS..  trans-137147.3177.400000110.1V171 E172 V206 P210 F220V171-A208 WeakPolarHBondContact CB-O 3.31Å; V171-A208 HydrophobicContact CG1-CB 4.17Å; E172-A208 PolarHBondContact N-O 2.83Å; V206-A208 HydrophobicContact CG2-CB 4.29Å; V206-A208 PolarHBondContact O-N 3.44Å; A208-P210 VanDerWaalsContact C-CD 3.47Å; A208-F220 HydrophobicContact CB-CE2 4.48Å
209Y91.5Very high93Very high142 Ų14255.2 Ų55.256%0.55727%0.273SS*.  trans-127.565.4-179.6-76.7-88.9000110.8E172 P173 I211E172-Y209 HydrophobicContact CB-CD2 4.38Å; E172-Y209 HydrophobicContact CB-CE1 4.03Å; E172-Y209 HydrophobicContact CB-CE2 3.87Å; E172-Y209 HydrophobicContact CG-CE1 4.16Å; E172-Y209 HydrophobicContact CG-CE2 3.93Å; E172-Y209 WeakPolarHBondContact CG-OH 3.16Å; E172-Y209 PolarHBondContact OE1-OH 3.04Å; E172-Y209 WeakPolarHBondContact OE2-CE2 3.43Å; P173-Y209 HydrophobicContact CG-CD1 3.47Å; P173-Y209 VanDerWaalsContact CG-CD1 3.47Å; P173-Y209 HydrophobicContact CG-CE1 3.83Å; P173-Y209 HydrophobicContact CG-CG 4.42Å; Y209-I211 PolarHBondContact O-N 2.88Å
210P90.8Very high92.7Very high10 Ų1056.2 Ų56.27%0.06528%0.277CS..  trans-67.4129174.229.8-33.3000110.1V171 A208 L216 Y242V171-P210 HydrophobicContact CB-CG 4.23Å; V171-P210 HydrophobicContact CG1-CG 3.89Å; V171-P210 HydrophobicContact CG2-CG 3.99Å; A208-P210 VanDerWaalsContact C-CD 3.47Å; P210-L216 HydrophobicContact CB-CD2 3.79Å; P210-L216 HydrophobicContact CB-CG 4.2Å; P210-L216 HydrophobicContact CG-CD2 4.16Å; P210-Y242 HydrophobicContact CB-CD1 4.19Å; P210-Y242 HydrophobicContact CB-CD2 4.45Å; P210-Y242 HydrophobicContact CB-CE1 4.35Å; P210-Y242 HydrophobicContact CB-CG 4.24Å; P210-Y242 HydrophobicContact CG-CD1 4.24Å; P210-Y242 HydrophobicContact CG-CD2 3.74Å; P210-Y242 HydrophobicContact CG-CE1 4.18Å; P210-Y242 HydrophobicContact CG-CE2 3.7Å; P210-Y242 HydrophobicContact CG-CG 4.02Å; P210-Y242 WeakPolarHBondContact O-CE1 3.46Å; P210-Y242 PolarHBondContact O-OH 3.2Å
211I89.8Confident92.4Very high153 Ų15357.5 Ų57.579%0.78528%0.283SS*.  trans-84.2-40.2175.3-59.3175.2000110Y209Y209-I211 PolarHBondContact O-N 2.88Å
212N92.6Very high92.3Very high77 Ų7758.6 Ų58.641%0.41229%0.287SS..SBendtrans-152.6-178.7-175.859.830.6000110.3E214 G215N212-E214 VanDerWaalsContact C-N 3.31Å; N212-E214 PolarHBondContact O-N 2.64Å; N212-E214 PolarHBondContact OD1-N 3.07Å; N212-E214 VanDerWaalsContact OD1-N 3.13Å; N212-G215 PolarHBondContact O-N 3.01Å; N212-G215 PolarHBondContact OD1-N 3.03Å
213Q95Very high92.1Very high63 Ų6363.2 Ų63.229%0.29430%0.302SS..SBendtrans-60.9-39178.6-59.2-49.5-36.600112.6L183 G215 L216 K221 Y242L183-Q213 VanDerWaalsContact CD2-NE2 3.31Å; Q213-G215 VanDerWaalsContact C-N 3.34Å; Q213-G215 PolarHBondContact O-N 3.22Å; Q213-L216 WeakPolarHBondContact O-CB 3.35Å; Q213-L216 PolarHBondContact O-N 2.68Å; Q213-K221 WeakPolarHBondContact O-CE 2.99Å; Q213-K221 PolarHBondContact O-NZ 3.33Å; Q213-Y242 PolarHBondContact NE2-O 3.47Å
214E91.5Very high91.9Very high171 Ų17164.1 Ų64.180%0.79931%0.307SS*.THydrogen-bonded Turntrans-65.5-39.9-178.4-66.7-174.8166.900111.6N212 L216 K221N212-E214 VanDerWaalsContact C-N 3.31Å; N212-E214 PolarHBondContact O-N 2.64Å; N212-E214 PolarHBondContact OD1-N 3.07Å; N212-E214 VanDerWaalsContact OD1-N 3.13Å; E214-L216 PolarHBondContact O-N 3.45Å; E214-K221 PolarHBondContact O-NZ 3.19Å; E214-K221 VanDerWaalsContact O-NZ 3.11Å
215G88.4Confident91.8Very high47 Ų4765.5 Ų65.549%0.48532%0.32SS..THydrogen-bonded Turntrans-70.1-9.4178.800000115.2N212 Q213N212-G215 PolarHBondContact O-N 3.01Å; N212-G215 PolarHBondContact OD1-N 3.03Å; Q213-G215 VanDerWaalsContact C-N 3.34Å; Q213-G215 PolarHBondContact O-N 3.22Å
216L92Very high91.6Very high4 Ų467.1 Ų67.12%0.02133%0.329CS..SBendtrans-65.9128.8170.7-82.3175000110.5I177 P210 Q213 E214 L218 F220 K221 I240I177-L216 HydrophobicContact CD1-CD2 3.62Å; I177-L216 HydrophobicContact CG1-CD2 3.91Å; P210-L216 HydrophobicContact CB-CD2 3.79Å; P210-L216 HydrophobicContact CB-CG 4.2Å; P210-L216 HydrophobicContact CG-CD2 4.16Å; Q213-L216 WeakPolarHBondContact O-CB 3.35Å; Q213-L216 PolarHBondContact O-N 2.68Å; E214-L216 PolarHBondContact O-N 3.45Å; L216-L218 PolarHBondContact O-N 3.39Å; L216-F220 HydrophobicContact CD2-CD2 4.13Å; L216-K221 HydrophobicContact CB-CD 4.48Å; L216-K221 HydrophobicContact CB-CG 4.34Å; L216-K221 WeakPolarHBondContact O-CE 3.14Å; L216-K221 PolarHBondContact O-NZ 3Å; L216-K221 VanDerWaalsContact O-NZ 3.11Å; L216-I240 HydrophobicContact CD1-CD1 3.76Å
217P91.8Very high91.6Very high40 Ų4069.1 Ų69.126%0.2634%0.339SS..  trans-52.8138174.5-27.534.5000112.7R219 F220 K221P217-R219 HydrophobicContact CB-CG 3.99Å; P217-R219 PolarHBondContact O-N 3.34Å; P217-R219 VanDerWaalsContact O-N 3.15Å; P217-F220 HydrophobicContact CB-CD1 4.39Å; P217-F220 HydrophobicContact CB-CD2 4.29Å; P217-F220 HydrophobicContact CB-CG 4.23Å; P217-F220 HydrophobicContact CG-CD2 4Å; P217-F220 HydrophobicContact CG-CE2 3.88Å; P217-F220 HydrophobicContact CG-CG 4.43Å; P217-F220 HydrophobicContact CG-CZ 4.2Å; P217-F220 WeakPolarHBondContact O-CB 3.41Å; P217-F220 PolarHBondContact O-N 2.9Å; P217-K221 PolarHBondContact O-N 3.03Å
218L92.3Very high91.7Very high95 Ų9567.9 Ų67.950%0.49734%0.338SS..Hα-helixtrans-56.2-35.2-180-63.4176.2000112.6L216 F220 K221 Y222 L227 L233L216-L218 PolarHBondContact O-N 3.39Å; L218-F220 PolarHBondContact O-N 3.45Å; L218-K221 HydrophobicContact CD2-CD 4.46Å; L218-K221 PolarHBondContact O-N 3Å; L218-Y222 HydrophobicContact CB-CD2 4.37Å; L218-Y222 HydrophobicContact CD2-CD2 4.3Å; L218-Y222 HydrophobicContact CD2-CE2 3.88Å; L218-Y222 WeakPolarHBondContact O-CD2 3.42Å; L218-Y222 PolarHBondContact O-N 3.41Å; L218-L227 HydrophobicContact CB-CD2 4.04Å; L218-L233 HydrophobicContact CD1-CD1 4.02Å
219R92.1Very high91.8Very high116 Ų11669.7 Ų69.744%0.43835%0.349SS..Hα-helixtrans-63.3-17.6175.469-175.4-175.4-91.3-3.5115.1Y30 P217 L227Y30-R219 WeakPolarHBondContact CB-O 3.3Å; Y30-R219 HydrophobicContact CD1-CG 4.17Å; Y30-R219 HydrophobicContact CD2-CB 4.3Å; Y30-R219 HydrophobicContact CD2-CG 4.43Å; Y30-R219 HydrophobicContact CE1-CG 4.18Å; Y30-R219 VanDerWaalsContact CE1-NE 3.34Å; Y30-R219 HydrophobicContact CE2-CG 4.43Å; Y30-R219 HydrophobicContact CG-CB 4.43Å; Y30-R219 HydrophobicContact CG-CG 4.31Å; Y30-R219 VanDerWaalsContact CZ-CD 3.41Å; Y30-R219 PolarHBondContact OH-NE 3.36Å; P217-R219 HydrophobicContact CB-CG 3.99Å; P217-R219 PolarHBondContact O-N 3.34Å; P217-R219 VanDerWaalsContact O-N 3.15Å; R219-L227 HydrophobicContact CB-CD1 4.08Å
220F92.2Very high91.6Very high20 Ų2066.4 Ų66.49%0.08836%0.359CS..Hα-helixtrans-84.8-39.8171.4-65-2.6000110.2Y30 I31 I177 A208 L216 P217 L218 I240Y30-F220 AromaticContact CD1-CD1 3.78Å; Y30-F220 HydrophobicContact CD1-CD1 3.78Å; Y30-F220 AromaticContact CD1-CE1 3.51Å; Y30-F220 HydrophobicContact CD1-CE1 3.51Å; Y30-F220 HydrophobicContact CE1-CD1 4.43Å; Y30-F220 AromaticContact CE1-CE1 3.79Å; Y30-F220 HydrophobicContact CE1-CE1 3.79Å; I31-F220 HydrophobicContact CD1-CB 4Å; I31-F220 HydrophobicContact CD1-CD1 4.34Å; I31-F220 HydrophobicContact CD1-CD2 4.13Å; I31-F220 HydrophobicContact CD1-CG 3.92Å; I31-F220 HydrophobicContact CG1-CB 4.19Å; I31-F220 HydrophobicContact CG1-CD1 3.63Å; I31-F220 HydrophobicContact CG1-CD2 4.13Å; I31-F220 HydrophobicContact CG1-CE1 4.01Å; I31-F220 HydrophobicContact CG1-CE2 4.44Å; I31-F220 HydrophobicContact CG1-CG 3.72Å; I31-F220 HydrophobicContact CG1-CZ 4.39Å; I177-F220 HydrophobicContact CD1-CD2 3.74Å; I177-F220 HydrophobicContact CD1-CE2 4.03Å; A208-F220 HydrophobicContact CB-CE2 4.48Å; L216-F220 HydrophobicContact CD2-CD2 4.13Å; P217-F220 HydrophobicContact CB-CD1 4.39Å; P217-F220 HydrophobicContact CB-CD2 4.29Å; P217-F220 HydrophobicContact CB-CG 4.23Å; P217-F220 HydrophobicContact CG-CD2 4Å; P217-F220 HydrophobicContact CG-CE2 3.88Å; P217-F220 HydrophobicContact CG-CG 4.43Å; P217-F220 HydrophobicContact CG-CZ 4.2Å; P217-F220 WeakPolarHBondContact O-CB 3.41Å; P217-F220 PolarHBondContact O-N 2.9Å; L218-F220 PolarHBondContact O-N 3.45Å; F220-I240 HydrophobicContact CB-CD1 4.28Å; F220-I240 WeakPolarHBondContact O-CG1 3.28Å
221K92.9Very high91.5Very high27 Ų2769.9 Ų69.912%0.11738%0.377CS..Hα-helixtrans-71.9-38.6-174.9-65.6176.1-178166.80113.7Q213 E214 L216 P217 L218 P238 R239 I240Q213-K221 WeakPolarHBondContact O-CE 2.99Å; Q213-K221 PolarHBondContact O-NZ 3.33Å; E214-K221 PolarHBondContact O-NZ 3.19Å; E214-K221 VanDerWaalsContact O-NZ 3.11Å; L216-K221 HydrophobicContact CB-CD 4.48Å; L216-K221 HydrophobicContact CB-CG 4.34Å; L216-K221 WeakPolarHBondContact O-CE 3.14Å; L216-K221 PolarHBondContact O-NZ 3Å; L216-K221 VanDerWaalsContact O-NZ 3.11Å; P217-K221 PolarHBondContact O-N 3.03Å; L218-K221 HydrophobicContact CD2-CD 4.46Å; L218-K221 PolarHBondContact O-N 3Å; K221-P238 HydrophobicContact CB-CB 4.11Å; K221-P238 HydrophobicContact CG-CB 4.48Å; K221-R239 PolarHBondContact O-N 2.96Å; K221-I240 HydrophobicContact CB-CD1 4.47Å; K221-I240 HydrophobicContact CG-CD1 4.01Å
222Y93.4Very high91.6Very high29 Ų2965.4 Ų65.411%0.11435%0.354CS..SBendtrans-123152.9-166.5-56.8-73.7000112.3L218 L226 L227 L233 E236 P238L218-Y222 HydrophobicContact CB-CD2 4.37Å; L218-Y222 HydrophobicContact CD2-CD2 4.3Å; L218-Y222 HydrophobicContact CD2-CE2 3.88Å; L218-Y222 WeakPolarHBondContact O-CD2 3.42Å; L218-Y222 PolarHBondContact O-N 3.41Å; Y222-L226 HydrophobicContact CD1-CD2 3.84Å; Y222-L226 HydrophobicContact CG-CD2 4.4Å; Y222-L227 HydrophobicContact CD2-CD2 4.38Å; Y222-L233 HydrophobicContact CD1-CD2 4.38Å; Y222-L233 HydrophobicContact CD2-CB 4.44Å; Y222-L233 HydrophobicContact CD2-CD1 4.17Å; Y222-L233 HydrophobicContact CD2-CD2 4.22Å; Y222-L233 HydrophobicContact CE2-CB 4.05Å; Y222-L233 HydrophobicContact CE2-CD1 4.43Å; Y222-L233 HydrophobicContact CG-CD2 4.1Å; Y222-L233 PolarHBondContact OH-O 3.45Å; Y222-E236 HydrophobicContact CD1-CB 4.32Å; Y222-E236 HydrophobicContact CE1-CB 3.85Å; Y222-P238 HydrophobicContact CE1-CB 4.37Å
223R91.6Very high91.5Very high108 Ų10863.2 Ų63.241%0.40834%0.342SS..  trans-60.7146.8171.3-83.5177.8-177.9147.50.6110.9D27 S225 L226 L227D27-R223 HydrophobicContact CB-CB 4.38Å; D27-R223 HydrophobicContact CB-CG 3.97Å; D27-R223 WeakPolarHBondContact OD1-CB 3.05Å; R223-S225 VanDerWaalsContact C-N 3.28Å; R223-S225 PolarHBondContact O-N 3.37Å; R223-L226 HydrophobicContact CB-CB 4.26Å; R223-L226 PolarHBondContact O-N 3.06Å; R223-L226 VanDerWaalsContact O-N 3.09Å; R223-L227 WeakPolarHBondContact O-CG 3.31Å; R223-L227 PolarHBondContact O-N 2.87Å
224N91.6Very high91.1Very high33 Ų3370.4 Ų70.418%0.17637%0.367CS..Hα-helixtrans-62.3-37.9178.4-168.851.2000111.7D25 T26 D27 L226 L227 K228D25-N224 VanDerWaalsContact C-ND2 3.27Å; D25-N224 VanDerWaalsContact CA-ND2 3.3Å; D25-N224 WeakPolarHBondContact CA-ND2 3.2Å; D25-N224 PolarHBondContact O-ND2 2.93Å; D25-N224 PolarHBondContact OD1-ND2 3.47Å; T26-N224 WeakPolarHBondContact O-CB 3.44Å; D27-N224 PolarHBondContact OD1-N 2.7Å; D27-N224 VanDerWaalsContact OD1-N 3.08Å; N224-L226 VanDerWaalsContact C-N 3.28Å; N224-L226 PolarHBondContact O-N 3.5Å; N224-L227 PolarHBondContact O-N 3.43Å; N224-K228 VanDerWaalsContact ND2-CE 3.32Å; N224-K228 WeakPolarHBondContact ND2-CE 3.33Å; N224-K228 WeakPolarHBondContact O-CG 3.47Å; N224-K228 PolarHBondContact O-N 3.42Å; N224-K228 VanDerWaalsContact O-N 3.07Å
225S92.2Very high91.1Very high59 Ų5970.6 Ų70.641%0.41337%0.365SS..Hα-helixtrans-56.6-40.8173.157.60000112.9D27 R223 K228 S229D27-S225 WeakPolarHBondContact OD1-CB 3.42Å; D27-S225 PolarHBondContact OD1-N 3.5Å; D27-S225 PolarHBondContact OD1-OG 3.36Å; D27-S225 WeakPolarHBondContact OD2-CB 3.33Å; D27-S225 PolarHBondContact OD2-OG 2.93Å; R223-S225 VanDerWaalsContact C-N 3.28Å; R223-S225 PolarHBondContact O-N 3.37Å; S225-K228 PolarHBondContact O-N 2.94Å; S225-S229 PolarHBondContact O-N 3.5Å; S225-S229 VanDerWaalsContact O-N 3.15Å
226L90.9Very high91.3Very high34 Ų3471.6 Ų71.618%0.17836%0.357CS..Hα-helixtrans-74.6-35.1178.2-175.562.4000112.4Y222 R223 N224 K228 S229 N231 L233 E236Y222-L226 HydrophobicContact CD1-CD2 3.84Å; Y222-L226 HydrophobicContact CG-CD2 4.4Å; R223-L226 HydrophobicContact CB-CB 4.26Å; R223-L226 PolarHBondContact O-N 3.06Å; R223-L226 VanDerWaalsContact O-N 3.09Å; N224-L226 VanDerWaalsContact C-N 3.28Å; N224-L226 PolarHBondContact O-N 3.5Å; L226-K228 PolarHBondContact O-N 2.86Å; L226-S229 PolarHBondContact O-N 2.96Å; L226-S229 PolarHBondContact O-OG 3.44Å; L226-N231 HydrophobicContact CD1-CB 4.26Å; L226-L233 HydrophobicContact CD2-CD2 4.21Å; L226-L233 HydrophobicContact CG-CD2 3.82Å; L226-E236 HydrophobicContact CD1-CG 4.05Å; L226-E236 HydrophobicContact CD2-CB 3.93Å; L226-E236 HydrophobicContact CD2-CG 3.88Å; L226-E236 HydrophobicContact CG-CG 4.38Å
227L91.5Very high91.3Very high54 Ų5477.6 Ų77.628%0.28339%0.389SS..Hα-helixtrans-62.5-33.4173.3-65.7169.4000111.7L218 R219 Y222 R223 N224 L233L218-L227 HydrophobicContact CB-CD2 4.04Å; R219-L227 HydrophobicContact CB-CD1 4.08Å; Y222-L227 HydrophobicContact CD2-CD2 4.38Å; R223-L227 WeakPolarHBondContact O-CG 3.31Å; R223-L227 PolarHBondContact O-N 2.87Å; N224-L227 PolarHBondContact O-N 3.43Å; L227-L233 HydrophobicContact CD2-CD1 3.76Å; L227-L233 HydrophobicContact CD2-CD2 4.49Å
228K92.7Very high91.4Very high124 Ų12477.5 Ų77.554%0.53939%0.388SS..Hα-helixtrans-85.6-14.7179.4-69.4179.6176.7-174.80114.4D25 N224 S225 L226 G230D25-K228 VanDerWaalsContact OD1-CE 3.24Å; D25-K228 WeakPolarHBondContact OD1-CE 3.36Å; D25-K228 IonicContact OD1-NZ 3.43Å; D25-K228 PolarHBondContact OD1-NZ 2.86Å; D25-K228 IonicContact OD2-NZ 2.61Å; D25-K228 PolarHBondContact OD2-NZ 3.19Å; N224-K228 VanDerWaalsContact ND2-CE 3.32Å; N224-K228 WeakPolarHBondContact ND2-CE 3.33Å; N224-K228 WeakPolarHBondContact O-CG 3.47Å; N224-K228 PolarHBondContact O-N 3.42Å; N224-K228 VanDerWaalsContact O-N 3.07Å; S225-K228 PolarHBondContact O-N 2.94Å; L226-K228 PolarHBondContact O-N 2.86Å; K228-G230 PolarHBondContact O-N 3.38Å
229S91Very high91.5Very high58 Ų5876.6 Ų76.641%0.40638%0.378SS..SBendtrans-70.9-16.7-174.870.50000113.5S225 L226 N231S225-S229 PolarHBondContact O-N 3.5Å; S225-S229 VanDerWaalsContact O-N 3.15Å; L226-S229 PolarHBondContact O-N 2.96Å; L226-S229 PolarHBondContact O-OG 3.44Å; S229-N231 PolarHBondContact O-N 3.28Å; S229-N231 WeakPolarHBondContact OG-CB 3.38Å; S229-N231 PolarHBondContact OG-N 3.15Å; S229-N231 PolarHBondContact OG-ND2 2.84Å
230G87.2Confident91.6Very high73 Ų7371.3 Ų71.375%0.75336%0.359SS*.  trans74.66.7-173.300000113.7K228K228-G230 PolarHBondContact O-N 3.38Å
231N89Confident91.8Very high83 Ų8370.6 Ų70.644%0.44436%0.356SS..  trans-64.4153.8175.8-70.2-6.4000111.4L226 S229 L233L226-N231 HydrophobicContact CD1-CB 4.26Å; S229-N231 PolarHBondContact O-N 3.28Å; S229-N231 WeakPolarHBondContact OG-CB 3.38Å; S229-N231 PolarHBondContact OG-N 3.15Å; S229-N231 PolarHBondContact OG-ND2 2.84Å; N231-L233 PolarHBondContact O-N 3.42Å
232D91.4Very high92.1Very high59 Ų5969.8 Ų69.832%0.31635%0.352SS..  trans-71.696.9170.6-174.2-2.2000110.4R234 K235D232-R234 PolarHBondContact O-N 2.88Å; D232-R234 WeakPolarHBondContact OD1-CB 3.38Å; D232-R234 WeakPolarHBondContact OD1-CG 3.42Å; D232-R234 IonicContact OD1-CZ 3.35Å; D232-R234 PolarHBondContact OD1-N 3.08Å; D232-R234 IonicContact OD1-NE 2.98Å; D232-R234 PolarHBondContact OD1-NE 2.98Å; D232-R234 IonicContact OD1-NH2 2.82Å; D232-R234 PolarHBondContact OD1-NH2 3.16Å; D232-R234 IonicContact OD2-CZ 2.97Å; D232-R234 IonicContact OD2-NE 3.91Å; D232-R234 PolarHBondContact OD2-NE 3.09Å; D232-R234 IonicContact OD2-NH2 3.41Å; D232-R234 PolarHBondContact OD2-NH2 3.18Å; D232-K235 HydrophobicContact CB-CD 4.4Å; D232-K235 HydrophobicContact CB-CG 4.43Å; D232-K235 PolarHBondContact O-N 3.37Å
233L90.5Very high92.3Very high30 Ų3068.4 Ų68.416%0.15735%0.346CS..G310 helixtrans-57.2-18.9-178.4-61173.3000113.8L218 Y222 L226 L227 N231 K235 E236L218-L233 HydrophobicContact CD1-CD1 4.02Å; Y222-L233 HydrophobicContact CD1-CD2 4.38Å; Y222-L233 HydrophobicContact CD2-CB 4.44Å; Y222-L233 HydrophobicContact CD2-CD1 4.17Å; Y222-L233 HydrophobicContact CD2-CD2 4.22Å; Y222-L233 HydrophobicContact CE2-CB 4.05Å; Y222-L233 HydrophobicContact CE2-CD1 4.43Å; Y222-L233 HydrophobicContact CG-CD2 4.1Å; Y222-L233 PolarHBondContact OH-O 3.45Å; L226-L233 HydrophobicContact CD2-CD2 4.21Å; L226-L233 HydrophobicContact CG-CD2 3.82Å; L227-L233 HydrophobicContact CD2-CD1 3.76Å; L227-L233 HydrophobicContact CD2-CD2 4.49Å; N231-L233 PolarHBondContact O-N 3.42Å; L233-K235 PolarHBondContact O-N 3.42Å; L233-E236 PolarHBondContact O-N 3.37Å
234R87.9Confident92.6Very high214 Ų21464.6 Ų64.681%0.80834%0.336SS*.G310 helixtrans-68.6-19.1175.4-60.4171.9-64.9179.34.2112.8D232D232-R234 PolarHBondContact O-N 2.88Å; D232-R234 WeakPolarHBondContact OD1-CB 3.38Å; D232-R234 WeakPolarHBondContact OD1-CG 3.42Å; D232-R234 IonicContact OD1-CZ 3.35Å; D232-R234 PolarHBondContact OD1-N 3.08Å; D232-R234 IonicContact OD1-NE 2.98Å; D232-R234 PolarHBondContact OD1-NE 2.98Å; D232-R234 IonicContact OD1-NH2 2.82Å; D232-R234 PolarHBondContact OD1-NH2 3.16Å; D232-R234 IonicContact OD2-CZ 2.97Å; D232-R234 IonicContact OD2-NE 3.91Å; D232-R234 PolarHBondContact OD2-NE 3.09Å; D232-R234 IonicContact OD2-NH2 3.41Å; D232-R234 PolarHBondContact OD2-NH2 3.18Å
235K91.5Very high92.9Very high176 Ų17664.9 Ų64.977%0.76534%0.339SS*.G310 helixtrans-961.2176.7-59.2-176.9-177.8179.50112.6D232 L233D232-K235 HydrophobicContact CB-CD 4.4Å; D232-K235 HydrophobicContact CB-CG 4.43Å; D232-K235 PolarHBondContact O-N 3.37Å; L233-K235 PolarHBondContact O-N 3.42Å
236E91.9Very high93.1Very high67 Ų6765.7 Ų65.731%0.31335%0.345SS..SBendtrans-106.1144.4-176.1-63.7-71.5175.400110.8Y222 L226 L233Y222-E236 HydrophobicContact CD1-CB 4.32Å; Y222-E236 HydrophobicContact CE1-CB 3.85Å; L226-E236 HydrophobicContact CD1-CG 4.05Å; L226-E236 HydrophobicContact CD2-CB 3.93Å; L226-E236 HydrophobicContact CD2-CG 3.88Å; L226-E236 HydrophobicContact CG-CG 4.38Å; L233-E236 PolarHBondContact O-N 3.37Å
237N91.8Very high93.5Very high130 Ų13067 Ų6770%0.69535%0.348SS*.  trans-77.5126.4176.5-68.1-50.5000110.3
238P94.2Very high93.8Very high38 Ų3864.9 Ų64.925%0.24734%0.337CS..  trans-66.3147.9172.130.5-35.1000110I180 K221 Y222I180-P238 WeakPolarHBondContact CB-O 3.15Å; I180-P238 HydrophobicContact CD1-CG 4.04Å; I180-P238 HydrophobicContact CG1-CG 4.5Å; I180-P238 WeakPolarHBondContact CG2-O 3.32Å; K221-P238 HydrophobicContact CB-CB 4.11Å; K221-P238 HydrophobicContact CG-CB 4.48Å; Y222-P238 HydrophobicContact CE1-CB 4.37Å
239R93Very high94.1Very high77 Ų7762.6 Ų62.629%0.29133%0.331SS..SBendtrans-85.8-18.7178.4-68.7178.665.3-160.23113.2D27 I180 K221D27-R239 PolarHBondContact O-NH1 3.11Å; I180-R239 PolarHBondContact N-O 3.03Å; K221-R239 PolarHBondContact O-N 2.96Å
240I95.3Very high94.4Very high4 Ų461.6 Ų61.62%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-133.6161-175.859.270.2000110.9E168 I177 N178 L216 F220 K221E168-I240 WeakPolarHBondContact OE2-CG2 3.4Å; I177-I240 HydrophobicContact CG2-CB 3.89Å; I177-I240 HydrophobicContact CG2-CD1 3.71Å; I177-I240 HydrophobicContact CG2-CG1 3.82Å; I177-I240 HydrophobicContact CG2-CG2 4.48Å; N178-I240 CarbonylContact O-C 3.48Å; N178-I240 WeakPolarHBondContact O-CA 3.45Å; N178-I240 WeakPolarHBondContact O-CB 3.48Å; L216-I240 HydrophobicContact CD1-CD1 3.76Å; F220-I240 HydrophobicContact CB-CD1 4.28Å; F220-I240 WeakPolarHBondContact O-CG1 3.28Å; K221-I240 HydrophobicContact CB-CD1 4.47Å; K221-I240 HydrophobicContact CG-CD1 4.01Å
241D96.8Very high95Very high5 Ų558.1 Ų58.13%0.02729%0.285CS..EExtended strand (participates in β ladder)trans-131.516616563.945000111I177 N178 I180 G181 T182 L183 T243I177-D241 WeakPolarHBondContact CA-O 3.41Å; N178-D241 PolarHBondContact N-O 3.33Å; N178-D241 VanDerWaalsContact N-O 3.16Å; N178-D241 PolarHBondContact O-N 2.92Å; I180-D241 HydrophobicContact CD1-CB 3.92Å; G181-D241 PolarHBondContact N-OD2 2.9Å; T182-D241 PolarHBondContact N-OD2 3.2Å; L183-D241 HydrophobicContact CB-CB 4.44Å; L183-D241 PolarHBondContact N-OD1 3.25Å; L183-D241 VanDerWaalsContact N-OD1 3.13Å; L183-D241 PolarHBondContact N-OD2 3Å; L183-D241 VanDerWaalsContact N-OD2 3.13Å; D241-T243 PolarHBondContact OD1-OG1 2.9Å
242Y97.9Very high95.4Very high10 Ų1054.2 Ų54.24%0.03926%0.264CS..EExtended strand (participates in β ladder)trans-94.3124.8170.2170.4-127.8000110.2V171 I176 P210 Q213 P244 P245V171-Y242 HydrophobicContact CG2-CD2 4.3Å; V171-Y242 HydrophobicContact CG2-CE2 3.54Å; I176-Y242 CarbonylContact O-C 3.56Å; I176-Y242 WeakPolarHBondContact O-CA 3.29Å; I176-Y242 WeakPolarHBondContact O-CD2 3.46Å; P210-Y242 HydrophobicContact CB-CD1 4.19Å; P210-Y242 HydrophobicContact CB-CD2 4.45Å; P210-Y242 HydrophobicContact CB-CE1 4.35Å; P210-Y242 HydrophobicContact CB-CG 4.24Å; P210-Y242 HydrophobicContact CG-CD1 4.24Å; P210-Y242 HydrophobicContact CG-CD2 3.74Å; P210-Y242 HydrophobicContact CG-CE1 4.18Å; P210-Y242 HydrophobicContact CG-CE2 3.7Å; P210-Y242 HydrophobicContact CG-CG 4.02Å; P210-Y242 WeakPolarHBondContact O-CE1 3.46Å; P210-Y242 PolarHBondContact O-OH 3.2Å; Q213-Y242 PolarHBondContact NE2-O 3.47Å; Y242-P244 HydrophobicContact CD1-CG 4.27Å; Y242-P244 HydrophobicContact CE1-CB 4.32Å; Y242-P244 HydrophobicContact CE1-CG 3.93Å; Y242-P244 WeakPolarHBondContact O-CD 3.28Å; Y242-P245 WeakPolarHBondContact OH-CD 3.39Å
243T98.3Very high95.7Very high0 Ų051.4 Ų51.40%025%0.249CC..EExtended strand (participates in β ladder)trans-103.4112.7170.2-60.50000109.4G175 I176 T182 L183 A186 D241 I248G175-T243 CarbonylContact C-O 3.59Å; G175-T243 VanDerWaalsContact CA-O 3.25Å; G175-T243 WeakPolarHBondContact CA-O 3.35Å; I176-T243 HydrophobicContact CG1-CG2 4.43Å; I176-T243 PolarHBondContact N-O 3.04Å; I176-T243 PolarHBondContact O-N 3.37Å; T182-T243 WeakPolarHBondContact CG2-OG1 3.38Å; L183-T243 WeakPolarHBondContact CA-OG1 3.45Å; L183-T243 PolarHBondContact N-OG1 3.37Å; A186-T243 HydrophobicContact CB-CG2 3.56Å; D241-T243 PolarHBondContact OD1-OG1 2.9Å; T243-I248 HydrophobicContact CG2-CG1 4.34Å
244P97.7Very high96Very high29 Ų2951.7 Ų51.719%0.18825%0.251CS..  trans-61.3153.7-179.7-25.934.5000113.8Y242 S246 Y247Y242-P244 HydrophobicContact CD1-CG 4.27Å; Y242-P244 HydrophobicContact CE1-CB 4.32Å; Y242-P244 HydrophobicContact CE1-CG 3.93Å; Y242-P244 WeakPolarHBondContact O-CD 3.28Å; P244-S246 PolarHBondContact O-N 3Å; P244-S246 VanDerWaalsContact O-N 3.12Å; P244-Y247 HydrophobicContact CB-CD2 4.11Å; P244-Y247 HydrophobicContact CB-CE2 4.37Å; P244-Y247 HydrophobicContact CG-CD2 4.21Å; P244-Y247 HydrophobicContact CG-CE2 4.15Å; P244-Y247 PolarHBondContact O-N 3.5Å
245P97.4Very high96.4Very high38 Ų3844.6 Ų44.625%0.24723%0.229CC..G310 helixtrans-60.5-24.9-17925-35.9000113.7P173 Y242 Y247 I248 P260P173-P245 WeakPolarHBondContact O-CB 3.49Å; P173-P245 WeakPolarHBondContact O-CG 3.47Å; Y242-P245 WeakPolarHBondContact OH-CD 3.39Å; P245-Y247 PolarHBondContact O-N 2.98Å; P245-Y247 VanDerWaalsContact O-N 3.13Å; P245-I248 PolarHBondContact O-N 3.21Å; P245-P260 HydrophobicContact CB-CB 3.56Å; P245-P260 HydrophobicContact CB-CG 4.27Å
246S97.3Very high96.6Very high77 Ų7737.1 Ų37.154%0.53820%0.201SC..G310 helixtrans-62.6-18.2178.855.70000114.5P244P244-S246 PolarHBondContact O-N 3Å; P244-S246 VanDerWaalsContact O-N 3.12Å
247Y98.4Very high96.9Very high60 Ų6037.3 Ų37.324%0.23520%0.203CC..G310 helixtrans-97.4-9.8176.6-61.7-76.6000113.5L183 A186 M187 K190 F196 P244 P245L183-Y247 HydrophobicContact CD1-CD2 4.19Å; L183-Y247 HydrophobicContact CD1-CE2 3.99Å; A186-Y247 HydrophobicContact CB-CG 4.19Å; M187-Y247 HydrophobicContact CB-CE1 4.39Å; M187-Y247 HydrophobicContact CG-CE1 3.81Å; M187-Y247 HydrophobicContact CG-CE2 4.46Å; K190-Y247 HydrophobicContact CB-CD1 3.7Å; K190-Y247 HydrophobicContact CB-CE1 4.05Å; K190-Y247 HydrophobicContact CG-CD1 4.02Å; K190-Y247 HydrophobicContact CG-CE1 4.17Å; F196-Y247 VanDerWaalsContact CB-O 3.27Å; F196-Y247 WeakPolarHBondContact CB-O 3.01Å; P244-Y247 HydrophobicContact CB-CD2 4.11Å; P244-Y247 HydrophobicContact CB-CE2 4.37Å; P244-Y247 HydrophobicContact CG-CD2 4.21Å; P244-Y247 HydrophobicContact CG-CE2 4.15Å; P244-Y247 PolarHBondContact O-N 3.5Å; P245-Y247 PolarHBondContact O-N 2.98Å; P245-Y247 VanDerWaalsContact O-N 3.13Å
248I98.6Very high97.2Very high11 Ų1131.8 Ų31.86%0.05617%0.174CC..  trans-102.3126.1-173-60.3167.9000109.2I176 F196 V198 T243 P245 L251 P260I176-I248 HydrophobicContact CB-CD1 4.33Å; I176-I248 HydrophobicContact CG1-CD1 3.95Å; I176-I248 HydrophobicContact CG2-CD1 3.83Å; F196-I248 HydrophobicContact CD1-CG1 4.16Å; F196-I248 HydrophobicContact CE1-CG1 4.31Å; V198-I248 HydrophobicContact CG2-CD1 4.32Å; V198-I248 HydrophobicContact CG2-CG1 4.26Å; V198-I248 HydrophobicContact CG2-CG2 3.88Å; T243-I248 HydrophobicContact CG2-CG1 4.34Å; P245-I248 PolarHBondContact O-N 3.21Å; I248-L251 HydrophobicContact CG2-CD1 3.9Å; I248-L251 HydrophobicContact CG2-CG 4.13Å; I248-P260 HydrophobicContact CB-CG 3.98Å; I248-P260 HydrophobicContact CG2-CG 4.06Å; I248-P260 WeakPolarHBondContact O-CG 3.5Å
249N98.5Very high97.3Very high76 Ų7633.4 Ų33.441%0.40618%0.183SC..  trans-83.6-51.9176.6-67.592.7000111.7P195 F196 Y197P195-N249 WeakPolarHBondContact CA-OD1 3.09Å; F196-N249 PolarHBondContact N-OD1 2.92Å; F196-N249 WeakPolarHBondContact O-CB 3.34Å; F196-N249 PolarHBondContact O-N 3.39Å; Y197-N249 HydrophobicContact CD1-CB 4.08Å; Y197-N249 HydrophobicContact CE1-CB 3.88Å
250L98.5Very high97.5Very high37 Ų3730.5 Ų30.519%0.19417%0.174CC..EExtended strand (participates in β ladder)trans-145.8145.9-177-62.3172.7000111.3F88 Y197 V198 F252 I257 L258 T259F88-L250 HydrophobicContact CE1-CD1 3.82Å; F88-L250 HydrophobicContact CZ-CD1 3.95Å; Y197-L250 HydrophobicContact CD1-CB 3.88Å; Y197-L250 HydrophobicContact CD1-CD1 4.37Å; Y197-L250 HydrophobicContact CD1-CG 4.33Å; Y197-L250 HydrophobicContact CE1-CB 4.22Å; Y197-L250 HydrophobicContact CE1-CD1 3.93Å; Y197-L250 HydrophobicContact CE1-CG 4.16Å; V198-L250 PolarHBondContact N-O 3.24Å; L250-F252 HydrophobicContact CB-CE2 4.29Å; L250-F252 HydrophobicContact CD1-CZ 4.44Å; L250-I257 HydrophobicContact CB-CG2 4.2Å; L250-I257 HydrophobicContact CD1-CG2 4.1Å; L250-I257 HydrophobicContact CD2-CG2 4.11Å; L250-I257 HydrophobicContact CG-CG2 4.37Å; L250-L258 WeakPolarHBondContact CA-O 3.36Å; L250-T259 HydrophobicContact CD2-CG2 4.2Å
251L98.7Very high97.6Very high0 Ų034.3 Ų34.30%021%0.207CC..EExtended strand (participates in β ladder)trans-109.7119.8169-59.494.4000109.2V170 I176 V198 I248 T253 I257 L258 P260 V263V170-L251 HydrophobicContact CG1-CD2 3.63Å; V170-L251 HydrophobicContact CG2-CD2 4.1Å; I176-L251 HydrophobicContact CG2-CD2 4.26Å; V198-L251 HydrophobicContact CB-CG 4.3Å; V198-L251 CarbonylContact O-C 3.56Å; V198-L251 WeakPolarHBondContact O-CA 3.46Å; I248-L251 HydrophobicContact CG2-CD1 3.9Å; I248-L251 HydrophobicContact CG2-CG 4.13Å; L251-T253 HydrophobicContact CB-CG2 4.07Å; L251-I257 CarbonylContact O-C 3.51Å; L251-I257 WeakPolarHBondContact O-CA 3.39Å; L251-L258 HydrophobicContact CB-CB 4.4Å; L251-L258 PolarHBondContact N-O 3Å; L251-L258 PolarHBondContact O-N 3.19Å; L251-P260 HydrophobicContact CD1-CB 4.42Å; L251-P260 HydrophobicContact CD1-CG 4.03Å; L251-V263 HydrophobicContact CD1-CG2 4.08Å; L251-V263 HydrophobicContact CD2-CG2 4.23Å
252F98.6Very high97.5Very high0 Ų035.3 Ų35.30%022%0.215CC..EExtended strand (participates in β ladder)trans-89.5113.7171.5-63-88.5000108.8I81 L84 S85 F88 Y197 V198 L199 A200 L250 I257I81-F252 HydrophobicContact CG2-CB 4.05Å; I81-F252 WeakPolarHBondContact CG2-O 3.49Å; L84-F252 HydrophobicContact CB-CD1 4.3Å; S85-F252 VanDerWaalsContact CA-CD1 3.5Å; F88-F252 HydrophobicContact CB-CZ 4.37Å; F88-F252 AromaticContact CD1-CZ 3.97Å; F88-F252 HydrophobicContact CD1-CZ 3.97Å; F88-F252 AromaticContact CD2-CE1 3.51Å; F88-F252 HydrophobicContact CD2-CE1 3.51Å; F88-F252 AromaticContact CD2-CZ 3.51Å; F88-F252 HydrophobicContact CD2-CZ 3.51Å; F88-F252 HydrophobicContact CE1-CZ 4.1Å; F88-F252 AromaticContact CE2-CE1 3.53Å; F88-F252 HydrophobicContact CE2-CE1 3.53Å; F88-F252 AromaticContact CE2-CZ 3.67Å; F88-F252 HydrophobicContact CE2-CZ 3.67Å; F88-F252 HydrophobicContact CG-CE1 4.17Å; F88-F252 AromaticContact CG-CZ 3.68Å; F88-F252 HydrophobicContact CG-CZ 3.68Å; F88-F252 HydrophobicContact CZ-CE1 4.17Å; F88-F252 AromaticContact CZ-CZ 3.96Å; F88-F252 HydrophobicContact CZ-CZ 3.96Å; Y197-F252 HydrophobicContact CD1-CE2 4.14Å; Y197-F252 HydrophobicContact CD2-CE2 4.47Å; Y197-F252 AromaticContact CG-CE2 3.9Å; Y197-F252 HydrophobicContact CG-CE2 3.9Å; V198-F252 PolarHBondContact O-N 3.39Å; L199-F252 HydrophobicContact CD1-CB 4.18Å; L199-F252 HydrophobicContact CD1-CD2 3.87Å; L199-F252 HydrophobicContact CD1-CG 4.32Å; L199-F252 HydrophobicContact CG-CB 4.14Å; A200-F252 PolarHBondContact N-O 2.94Å; L250-F252 HydrophobicContact CB-CE2 4.29Å; L250-F252 HydrophobicContact CD1-CZ 4.44Å; F252-I257 HydrophobicContact CD1-CD1 4.04Å; F252-I257 HydrophobicContact CD1-CG1 3.77Å; F252-I257 HydrophobicContact CD1-CG2 4.33Å; F252-I257 HydrophobicContact CE1-CD1 3.71Å; F252-I257 HydrophobicContact CE1-CG1 3.91Å; F252-I257 HydrophobicContact CE1-CG2 4.14Å
253T98Very high97.4Very high0 Ų034.8 Ų34.80%021%0.213CC..EExtended strand (participates in β ladder)trans-131.7163.9-173.877.10000110.4L84 A200 F205 L251 L255 G256 L258L84-T253 WeakPolarHBondContact CD1-O 3.39Å; A200-T253 WeakPolarHBondContact O-CA 3.43Å; F205-T253 HydrophobicContact CE1-CG2 4.16Å; F205-T253 HydrophobicContact CZ-CG2 3.88Å; L251-T253 HydrophobicContact CB-CG2 4.07Å; T253-L255 PolarHBondContact O-N 2.64Å; T253-L255 PolarHBondContact OG1-N 3.03Å; T253-G256 PolarHBondContact N-O 3Å; T253-G256 PolarHBondContact O-N 3.41Å; T253-G256 VanDerWaalsContact O-O 3.11Å; T253-G256 PolarHBondContact OG1-N 2.82Å; T253-G256 PolarHBondContact OG1-O 2.94Å; T253-L258 HydrophobicContact CG2-CD1 4.04Å; T253-L258 HydrophobicContact CG2-CG 4.39Å
254D96.5Very high97.1Very high36 Ų3636.5 Ų36.519%0.19323%0.225CC..THydrogen-bonded Turntrans-69.7-7.9173.155.4-61.6000113.6K80 I81 S202K80-D254 HydrophobicContact CB-CB 4.33Å; K80-D254 HydrophobicContact CD-CB 4.26Å; I81-D254 HydrophobicContact CG1-CB 4.37Å; S202-D254 WeakPolarHBondContact CB-OD1 3.41Å; S202-D254 PolarHBondContact N-OD1 3.1Å; S202-D254 VanDerWaalsContact OG-CG 3.28Å; S202-D254 PolarHBondContact OG-OD1 3.44Å; S202-D254 VanDerWaalsContact OG-OD1 3.1Å; S202-D254 PolarHBondContact OG-OD2 2.81Å
255L95.1Very high96.8Very high66 Ų6639.7 Ų39.735%0.34624%0.24SC..THydrogen-bonded Turntrans-89.7-9.3168.9-54.9-179.9000112.9T253 E266 L270T253-L255 PolarHBondContact O-N 2.64Å; T253-L255 PolarHBondContact OG1-N 3.03Å; L255-E266 HydrophobicContact CD1-CB 3.94Å; L255-E266 HydrophobicContact CD1-CG 4.35Å; L255-L270 HydrophobicContact CD1-CD1 3.86Å; L255-L270 HydrophobicContact CD1-CD2 4.11Å; L255-L270 HydrophobicContact CD1-CG 4.01Å; L255-L270 HydrophobicContact CD2-CD2 4.31Å
256G96.6Very high96.5Very high18 Ų1839.6 Ų39.619%0.18624%0.237CC..EExtended strand (participates in β ladder)trans127.7-171.1-176.400000113T253T253-G256 PolarHBondContact N-O 3Å; T253-G256 PolarHBondContact O-N 3.41Å; T253-G256 VanDerWaalsContact O-O 3.11Å; T253-G256 PolarHBondContact OG1-N 2.82Å; T253-G256 PolarHBondContact OG1-O 2.94Å
257I97.9Very high96Very high71 Ų7136 Ų3636%0.36421%0.212SC..EExtended strand (participates in β ladder)trans-90.3115.9174.1-53.6175.9000107.6L84 F88 L250 L251 F252L84-I257 HydrophobicContact CB-CG1 4.23Å; L84-I257 HydrophobicContact CD2-CG1 4.35Å; F88-I257 HydrophobicContact CE2-CD1 3.97Å; L250-I257 HydrophobicContact CB-CG2 4.2Å; L250-I257 HydrophobicContact CD1-CG2 4.1Å; L250-I257 HydrophobicContact CD2-CG2 4.11Å; L250-I257 HydrophobicContact CG-CG2 4.37Å; L251-I257 CarbonylContact O-C 3.51Å; L251-I257 WeakPolarHBondContact O-CA 3.39Å; F252-I257 HydrophobicContact CD1-CD1 4.04Å; F252-I257 HydrophobicContact CD1-CG1 3.77Å; F252-I257 HydrophobicContact CD1-CG2 4.33Å; F252-I257 HydrophobicContact CE1-CD1 3.71Å; F252-I257 HydrophobicContact CE1-CG1 3.91Å; F252-I257 HydrophobicContact CE1-CG2 4.14Å
258L97.9Very high95.4Very high15 Ų1537.2 Ų37.28%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-110.8142.9-175.5-53-179.8000110.6F205 L250 L251 T253 A262 E266F205-L258 HydrophobicContact CE2-CD1 4.22Å; F205-L258 HydrophobicContact CZ-CD1 4.12Å; L250-L258 WeakPolarHBondContact CA-O 3.36Å; L251-L258 HydrophobicContact CB-CB 4.4Å; L251-L258 PolarHBondContact N-O 3Å; L251-L258 PolarHBondContact O-N 3.19Å; T253-L258 HydrophobicContact CG2-CD1 4.04Å; T253-L258 HydrophobicContact CG2-CG 4.39Å; L258-A262 HydrophobicContact CB-CB 4.4Å; L258-A262 HydrophobicContact CD2-CB 4.42Å; L258-E266 HydrophobicContact CD1-CB 4.31Å; L258-E266 HydrophobicContact CD1-CG 3.89Å; L258-E266 HydrophobicContact CD2-CG 3.93Å
259T97.6Very high94.9Very high71 Ų7142.7 Ų42.744%0.43624%0.244SC..  trans-79.8156.4157.361.20000109.4L250 A261 A262L250-T259 HydrophobicContact CD2-CG2 4.2Å; T259-A261 PolarHBondContact O-N 3.39Å; T259-A261 VanDerWaalsContact O-N 3.1Å; T259-A262 WeakPolarHBondContact O-CB 3.34Å; T259-A262 PolarHBondContact O-N 2.92Å
260P97Very high94Very high17 Ų1741.3 Ų41.311%0.1124%0.237CC..G310 helixtrans-51.1-38.1177-28.535000114.1G174 P245 I248 L251 A262 V263G174-P260 WeakPolarHBondContact CA-O 3.43Å; P245-P260 HydrophobicContact CB-CB 3.56Å; P245-P260 HydrophobicContact CB-CG 4.27Å; I248-P260 HydrophobicContact CB-CG 3.98Å; I248-P260 HydrophobicContact CG2-CG 4.06Å; I248-P260 WeakPolarHBondContact O-CG 3.5Å; L251-P260 HydrophobicContact CD1-CB 4.42Å; L251-P260 HydrophobicContact CD1-CG 4.03Å; P260-A262 VanDerWaalsContact C-N 3.25Å; P260-A262 PolarHBondContact O-N 3.46Å; P260-V263 WeakPolarHBondContact O-CB 3.41Å; P260-V263 WeakPolarHBondContact O-CG2 3.35Å; P260-V263 PolarHBondContact O-N 3.15Å
261A95.5Very high92.8Very high84 Ų8440.6 Ų40.669%0.69423%0.232SC*.G310 helixtrans-63.5-27178.600000114.1T259 V263T259-A261 PolarHBondContact O-N 3.39Å; T259-A261 VanDerWaalsContact O-N 3.1Å; A261-V263 VanDerWaalsContact C-N 3.31Å
262A95.5Very high91.3Very high25 Ų2549.3 Ų49.321%0.20728%0.275CS..G310 helixtrans-82-9.9-179.300000113L258 T259 P260 S264 D265 E266L258-A262 HydrophobicContact CB-CB 4.4Å; L258-A262 HydrophobicContact CD2-CB 4.42Å; T259-A262 WeakPolarHBondContact O-CB 3.34Å; T259-A262 PolarHBondContact O-N 2.92Å; P260-A262 VanDerWaalsContact C-N 3.25Å; P260-A262 PolarHBondContact O-N 3.46Å; A262-S264 PolarHBondContact O-N 2.93Å; A262-D265 PolarHBondContact O-N 2.89Å; A262-E266 PolarHBondContact O-N 3.36Å
263V95Very high90.9Very high0 Ų051.8 Ų51.80%029%0.289CS..Hα-helixtrans-64.3-41.6-176.5170.90000111.5V170 F205 L251 P260 A261 D265 E266 L267V170-V263 HydrophobicContact CG1-CG1 3.78Å; V170-V263 HydrophobicContact CG1-CG2 4.24Å; F205-V263 HydrophobicContact CD2-CG1 4.09Å; F205-V263 HydrophobicContact CE2-CG1 3.82Å; F205-V263 HydrophobicContact CZ-CG1 4.48Å; L251-V263 HydrophobicContact CD1-CG2 4.08Å; L251-V263 HydrophobicContact CD2-CG2 4.23Å; P260-V263 WeakPolarHBondContact O-CB 3.41Å; P260-V263 WeakPolarHBondContact O-CG2 3.35Å; P260-V263 PolarHBondContact O-N 3.15Å; A261-V263 VanDerWaalsContact C-N 3.31Å; V263-D265 VanDerWaalsContact C-N 3.35Å; V263-D265 PolarHBondContact O-N 2.79Å; V263-E266 PolarHBondContact O-N 3.44Å; V263-L267 WeakPolarHBondContact O-CB 3.34Å; V263-L267 PolarHBondContact O-N 3.46Å
264S91.9Very high90.5Very high35 Ų3554.5 Ų54.525%0.24530%0.304CS..Hα-helixtrans-62-42.9-179.3-175.10000111.6A262 E266 L267 I268A262-S264 PolarHBondContact O-N 2.93Å; S264-E266 PolarHBondContact O-N 3.22Å; S264-L267 PolarHBondContact O-N 3.41Å; S264-I268 WeakPolarHBondContact O-CG1 3.47Å; S264-I268 PolarHBondContact O-N 2.94Å
265D92.2Very high90.2Very high96 Ų9655.6 Ų55.651%0.51331%0.31SS..Hα-helixtrans-63.1-42.6178-66.5-25000112.1A262 V263 I268 K269A262-D265 PolarHBondContact O-N 2.89Å; V263-D265 VanDerWaalsContact C-N 3.35Å; V263-D265 PolarHBondContact O-N 2.79Å; D265-I268 PolarHBondContact O-N 2.58Å; D265-K269 WeakPolarHBondContact O-CG 3.32Å; D265-K269 PolarHBondContact O-N 3.07Å
266E91.6Very high89.9Confident37 Ų3754.9 Ų54.917%0.17331%0.308CS..Hα-helixtrans-69-34.7176.8-68.2-52129.400112.2L255 L258 A262 V263 S264 K269 L270L255-E266 HydrophobicContact CD1-CB 3.94Å; L255-E266 HydrophobicContact CD1-CG 4.35Å; L258-E266 HydrophobicContact CD1-CB 4.31Å; L258-E266 HydrophobicContact CD1-CG 3.89Å; L258-E266 HydrophobicContact CD2-CG 3.93Å; A262-E266 PolarHBondContact O-N 3.36Å; V263-E266 PolarHBondContact O-N 3.44Å; S264-E266 PolarHBondContact O-N 3.22Å; E266-K269 PolarHBondContact O-N 3.3Å; E266-K269 IonicContact OE1-NZ 2.7Å; E266-K269 PolarHBondContact OE1-NZ 2.94Å; E266-L270 WeakPolarHBondContact O-CG 3.24Å; E266-L270 PolarHBondContact O-N 3.34Å
267L86.7Confident89.5Confident2 Ų257.3 Ų57.31%0.0132%0.315CS..Hα-helixtrans-65.7-40.7176.3-151.7156.7000110.8E172 F205 R207 V263 S264 K269 L270 Y271E172-L267 HydrophobicContact CB-CD1 4.25Å; E172-L267 HydrophobicContact CG-CD1 4.28Å; F205-L267 HydrophobicContact CB-CD1 4.08Å; F205-L267 HydrophobicContact CB-CG 4.31Å; F205-L267 HydrophobicContact CD2-CD1 4.5Å; R207-L267 HydrophobicContact CG-CD2 3.51Å; V263-L267 WeakPolarHBondContact O-CB 3.34Å; V263-L267 PolarHBondContact O-N 3.46Å; S264-L267 PolarHBondContact O-N 3.41Å; L267-K269 VanDerWaalsContact C-N 3.34Å; L267-K269 PolarHBondContact O-N 3.32Å; L267-L270 PolarHBondContact O-N 2.77Å; L267-Y271 HydrophobicContact CD2-CD2 3.57Å; L267-Y271 HydrophobicContact CD2-CE2 3.61Å; L267-Y271 HydrophobicContact CD2-CG 4.13Å; L267-Y271 HydrophobicContact CG-CD2 4.23Å; L267-Y271 HydrophobicContact CG-CE2 4.1Å; L267-Y271 WeakPolarHBondContact O-CB 3.3Å; L267-Y271 WeakPolarHBondContact O-CD2 3.42Å; L267-Y271 PolarHBondContact O-N 3.45Å
268I86.2Confident88.9Confident84 Ų8456.3 Ų56.343%0.43131%0.312SS..Hα-helixtrans-59-46.4173.8-67.5164.6000110.5S264 D265 L270 Y271 M272S264-I268 WeakPolarHBondContact O-CG1 3.47Å; S264-I268 PolarHBondContact O-N 2.94Å; D265-I268 PolarHBondContact O-N 2.58Å; I268-L270 PolarHBondContact O-N 2.83Å; I268-Y271 PolarHBondContact O-N 2.78Å; I268-M272 HydrophobicContact CG2-CG 4.31Å; I268-M272 HydrophobicContact CG2-SD 3.83Å; I268-M272 WeakPolarHBondContact O-CG 3.39Å; I268-M272 PolarHBondContact O-N 3.27Å
269K86.6Confident88.3Confident126 Ų12659.3 Ų59.355%0.54833%0.329SS..Hα-helixtrans-64.1-37179.3-67171.1-166.3168.90113.4D265 E266 L267 Y271D265-K269 WeakPolarHBondContact O-CG 3.32Å; D265-K269 PolarHBondContact O-N 3.07Å; E266-K269 PolarHBondContact O-N 3.3Å; E266-K269 IonicContact OE1-NZ 2.7Å; E266-K269 PolarHBondContact OE1-NZ 2.94Å; L267-K269 VanDerWaalsContact C-N 3.34Å; L267-K269 PolarHBondContact O-N 3.32Å; K269-Y271 PolarHBondContact O-N 3.15Å
270L80.7Confident87.6Confident47 Ų4758.4 Ų58.425%0.24632%0.321CS..Hα-helixtrans-67.7-26.6177.3-75.3169.2000112.7F205 L255 E266 L267 I268F205-L270 HydrophobicContact CB-CD1 4.45Å; F205-L270 HydrophobicContact CD2-CD1 4.19Å; F205-L270 HydrophobicContact CG-CD1 4.48Å; L255-L270 HydrophobicContact CD1-CD1 3.86Å; L255-L270 HydrophobicContact CD1-CD2 4.11Å; L255-L270 HydrophobicContact CD1-CG 4.01Å; L255-L270 HydrophobicContact CD2-CD2 4.31Å; E266-L270 WeakPolarHBondContact O-CG 3.24Å; E266-L270 PolarHBondContact O-N 3.34Å; L267-L270 PolarHBondContact O-N 2.77Å; I268-L270 PolarHBondContact O-N 2.83Å
271Y74.3Confident86.8Confident23 Ų2361.8 Ų61.89%0.0934%0.338CS..Hα-helixtrans-104.4-7.1-171.6-80.6-113.1000113.7E38 L39 R42 F205 R207 L267 I268 K269E38-Y271 VanDerWaalsContact CD-CE1 3.49Å; E38-Y271 HydrophobicContact CG-CE1 4.28Å; E38-Y271 WeakPolarHBondContact OE1-CE1 3.45Å; E38-Y271 PolarHBondContact OE2-OH 3.4Å; L39-Y271 HydrophobicContact CD2-CD2 4.1Å; L39-Y271 HydrophobicContact CD2-CE2 3.72Å; L39-Y271 HydrophobicContact CG-CE2 4.41Å; R42-Y271 PolarHBondContact NH1-O 3.43Å; F205-Y271 PolarHBondContact O-OH 3.26Å; R207-Y271 HydrophobicContact CG-CD1 4.3Å; R207-Y271 HydrophobicContact CG-CE1 3.91Å; L267-Y271 HydrophobicContact CD2-CD2 3.57Å; L267-Y271 HydrophobicContact CD2-CE2 3.61Å; L267-Y271 HydrophobicContact CD2-CG 4.13Å; L267-Y271 HydrophobicContact CG-CD2 4.23Å; L267-Y271 HydrophobicContact CG-CE2 4.1Å; L267-Y271 WeakPolarHBondContact O-CB 3.3Å; L267-Y271 WeakPolarHBondContact O-CD2 3.42Å; L267-Y271 PolarHBondContact O-N 3.45Å; I268-Y271 PolarHBondContact O-N 2.78Å; K269-Y271 PolarHBondContact O-N 3.15Å
272M65.6Low86Confident183 Ų18359.8 Ų59.890%0.90131%0.306SS*.  trans-84.40169.8-79-18049.300111.8I268I268-M272 HydrophobicContact CG2-CG 4.31Å; I268-M272 HydrophobicContact CG2-SD 3.83Å; I268-M272 WeakPolarHBondContact O-CG 3.39Å; I268-M272 PolarHBondContact O-N 3.27Å

Retrieved 272 of 272 residues in 2202 ms (Link to these results)

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